============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 3 1.000 -15.658 65.571 -4.193 -99.200 -91.000 TYR 4 0.840 -17.564 71.945 2.197 -99.200 -91.000 PHE 25 1.000 10.724 74.984 -0.292 -99.200 -91.000 PHE 58 1.000 -0.550 84.948 -4.399 -99.200 -91.000 TYR 76 0.840 14.274 81.260 3.828 -99.200 -91.000 PHE 83 1.000 8.475 86.254 9.949 -99.200 -91.000 TYR 87 0.840 11.023 86.728 15.305 -99.200 -91.000 PHE 116 1.000 10.395 63.202 15.328 -99.200 -91.000 TYR 117 0.840 14.836 60.497 21.871 -99.200 -91.000 TYR 122 0.840 24.032 67.516 20.927 -99.200 -91.000 TYR 135 0.840 13.054 89.568 19.450 -99.200 -91.000 PHE 153 1.000 18.115 56.601 21.427 -99.200 -91.000 HIS 157 0.900 25.650 63.382 23.077 -99.200 -91.000 PHE 158 1.000 20.539 60.167 17.319 -99.200 -91.000 PHE 168 1.000 -10.999 73.586 10.874 -99.200 -91.000 TRP 174 1.040 -2.337 68.611 -11.706 -99.200 -91.000 TRP6 174 1.020 -1.153 66.823 -12.682 -99.200 -91.000 PHE 184 1.000 -0.404 66.423 -2.891 -99.200 -91.000 PHE 191 1.000 7.077 71.239 5.174 -99.200 -91.000 PHE 215 1.000 -6.232 60.878 -9.524 -99.200 -91.000 HIS 221 0.900 0.993 61.841 -6.151 -99.200 -91.000 TYR 226 0.840 -4.204 59.829 5.328 -99.200 -91.000 HIS 228 0.900 -10.638 64.830 7.460 -99.200 -91.000 TYR 236 0.840 -5.989 76.894 -8.242 -99.200 -91.000 PHE 260 1.000 27.980 69.353 -7.982 -99.200 -91.000 TYR 265 0.840 22.164 59.310 -5.823 -99.200 -91.000 PHE 279 1.000 28.151 77.461 -13.831 -99.200 -91.000 HIS 287 0.900 22.097 60.597 -10.428 -99.200 -91.000 TYR 300 0.840 19.114 79.166 -12.283 -99.200 -91.000 TYR 326 0.840 8.990 66.595 -9.708 -99.200 -91.000 PHE 327 1.000 12.222 63.278 -3.161 -99.200 -91.000 PHE 333 1.000 14.300 68.580 5.069 -99.200 -91.000 HIS 340 0.900 19.066 56.757 2.639 -99.200 -91.000 TYR 354 0.840 39.437 74.425 16.133 -99.200 -91.000 TRP 360 1.040 19.971 79.730 12.866 -99.200 -91.000 TRP6 360 1.020 18.312 80.334 14.416 -99.200 -91.000 HIS 390 0.900 38.147 84.840 2.396 -99.200 -91.000 HIS 397 0.900 38.602 89.435 9.570 -99.200 -91.000 PHE 423 1.000 40.605 79.322 4.287 -99.200 -91.000 TRP 437 1.040 41.074 84.873 -8.435 -99.200 -91.000 TRP6 437 1.020 39.816 83.431 -9.829 -99.200 -91.000 PHE 453 1.000 45.261 81.425 6.437 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k6mC1 THR 1 HA 0.06 0.13 0.28 -0.75 4.39 4.10 3k6mC1 THR 1 HB 0.11 -0.08 -0.08 -0.04 4.32 4.23 3k6mC1 THR 1 HG23 -0.33 -0.07 -0.41 -0.04 1.22 0.36 3k6mC1 LYS 2 H 0.07 0.67 0.20 -0.55 8.42 8.81 3k6mC1 LYS 2 HA 0.12 0.09 0.85 -0.75 4.32 4.63 3k6mC1 LYS 2 HB2 0.21 0.07 0.30 -0.04 1.87 2.41 3k6mC1 LYS 2 HB3 -0.01 -0.06 0.02 -0.04 1.79 1.71 3k6mC1 LYS 2 HG2 0.08 0.09 0.02 -0.04 1.46 1.61 3k6mC1 LYS 2 HG3 0.07 -0.05 0.04 -0.04 1.46 1.49 3k6mC1 LYS 2 HD2 0.01 -0.05 0.07 -0.04 1.69 1.68 3k6mC1 LYS 2 HD3 0.06 0.12 -0.06 -0.04 1.68 1.76 3k6mC1 LYS 2 HE2 0.03 0.02 -0.01 -0.04 2.99 2.99 3k6mC1 LYS 2 HE3 0.02 -0.03 0.01 -0.04 2.99 2.95 3k6mC1 PHE 3 H 0.34 0.21 0.13 -0.55 8.34 8.46 3k6mC1 PHE 3 HA 0.12 0.12 0.78 -0.75 4.62 4.88 3k6mC1 PHE 3 HB2 -0.00 0.00 0.12 -0.04 3.15 3.23 3k6mC1 PHE 3 HB3 0.03 -0.02 -0.04 -0.04 3.06 2.99 3k6mC1 PHE 3 HD2 0.03 0.03 -0.11 -0.04 7.28 7.19 3k6mC1 PHE 3 HE2 0.02 0.04 -0.24 -0.04 7.38 7.16 3k6mC1 PHE 3 HZ 0.01 -0.02 -0.19 -0.04 7.32 7.08 3k6mC1 TYR 4 H 0.28 0.76 0.38 -0.55 8.29 9.16 3k6mC1 TYR 4 HA 0.07 0.16 0.90 -0.75 4.56 4.94 3k6mC1 TYR 4 HB2 0.03 0.03 -0.04 -0.04 3.06 3.04 3k6mC1 TYR 4 HB3 0.04 -0.16 -0.08 -0.04 2.98 2.73 3k6mC1 TYR 4 HD2 0.02 -0.02 -0.13 -0.04 7.15 6.98 3k6mC1 TYR 4 HE2 0.04 0.08 -0.12 -0.04 6.85 6.80 3k6mC1 THR 5 H 0.09 0.20 0.15 -0.55 8.28 8.18 3k6mC1 THR 5 HA 0.10 0.17 0.73 -0.75 4.39 4.64 3k6mC1 THR 5 HB 0.05 0.01 0.12 -0.04 4.32 4.46 3k6mC1 THR 5 HG23 0.03 0.02 -0.01 -0.04 1.22 1.23 3k6mC1 ASP 6 H 0.19 0.13 -0.16 -0.55 8.40 8.02 3k6mC1 ASP 6 HA 0.06 0.19 0.84 -0.75 4.63 4.97 3k6mC1 ASP 6 HB2 0.06 0.15 -0.17 -0.04 2.71 2.71 3k6mC1 ASP 6 HB3 0.10 -0.02 0.06 -0.04 2.70 2.80 3k6mC1 ALA 7 H 0.03 0.22 0.07 -0.55 8.40 8.18 3k6mC1 ALA 7 HA -0.02 0.09 0.21 -0.75 4.34 3.87 3k6mC1 ALA 7 HB3 -0.01 0.02 -0.05 -0.04 1.41 1.33 3k6mC1 VAL 8 H 0.00 0.09 -0.13 -0.55 8.24 7.65 3k6mC1 VAL 8 HA -0.03 0.11 0.38 -0.75 4.13 3.84 3k6mC1 VAL 8 HB 0.01 -0.04 0.04 -0.04 2.12 2.08 3k6mC1 VAL 8 HG13 -0.01 0.05 -0.15 -0.04 0.97 0.81 3k6mC1 VAL 8 HG23 -0.01 0.02 0.04 -0.04 0.95 0.95 3k6mC1 GLU 9 H 0.05 0.05 -0.29 -0.55 8.60 7.86 3k6mC1 GLU 9 HA 0.05 0.11 0.41 -0.75 4.29 4.11 3k6mC1 GLU 9 HB2 0.22 0.01 0.10 -0.04 2.09 2.38 3k6mC1 GLU 9 HB3 0.27 0.05 0.02 -0.04 1.99 2.29 3k6mC1 GLU 9 HG2 0.07 -0.09 0.00 -0.04 2.34 2.29 3k6mC1 GLU 9 HG3 0.10 0.02 0.01 -0.04 2.34 2.43 3k6mC1 ALA 10 H -0.10 0.22 -0.37 -0.55 8.40 7.61 3k6mC1 ALA 10 HA -0.98 0.08 0.29 -0.75 4.34 2.97 3k6mC1 ALA 10 HB3 -0.42 -0.01 -0.05 -0.04 1.41 0.88 3k6mC1 VAL 11 H -0.10 0.35 -0.43 -0.55 8.24 7.51 3k6mC1 VAL 11 HA -0.13 0.22 0.92 -0.75 4.13 4.39 3k6mC1 VAL 11 HB -0.17 -0.02 0.10 -0.04 2.12 1.99 3k6mC1 VAL 11 HG13 -0.08 -0.01 -0.18 -0.04 0.97 0.66 3k6mC1 VAL 11 HG23 -0.08 0.03 -0.14 -0.04 0.95 0.73 3k6mC1 LYS 12 H -0.04 0.32 -0.17 -0.55 8.42 7.98 3k6mC1 LYS 12 HA -0.05 0.04 0.14 -0.75 4.32 3.70 3k6mC1 LYS 12 HB2 0.01 0.04 0.11 -0.04 1.87 1.98 3k6mC1 LYS 12 HB3 0.02 0.01 -0.01 -0.04 1.79 1.76 3k6mC1 LYS 12 HG2 -0.00 0.03 -0.00 -0.04 1.46 1.44 3k6mC1 LYS 12 HG3 -0.01 -0.00 0.04 -0.04 1.46 1.44 3k6mC1 LYS 12 HD2 0.01 0.00 -0.04 -0.04 1.69 1.62 3k6mC1 LYS 12 HD3 0.02 -0.08 -0.10 -0.04 1.68 1.47 3k6mC1 LYS 12 HE2 0.03 0.03 -0.03 -0.04 2.99 2.98 3k6mC1 LYS 12 HE3 0.02 0.02 -0.04 -0.04 2.99 2.95 3k6mC1 ASP 13 H -0.02 0.07 -0.38 -0.55 8.40 7.52 3k6mC1 ASP 13 HA 0.00 0.21 0.66 -0.75 4.63 4.74 3k6mC1 ASP 13 HB2 0.10 0.00 0.11 -0.04 2.71 2.89 3k6mC1 ASP 13 HB3 0.07 -0.03 -0.01 -0.04 2.70 2.69 3k6mC1 ILE 14 H -0.27 0.33 -0.34 -0.55 8.25 7.41 3k6mC1 ILE 14 HA -0.53 0.06 0.46 -0.75 4.18 3.42 3k6mC1 ILE 14 HB -0.31 0.01 0.05 -0.04 1.89 1.59 3k6mC1 ILE 14 HG12 -2.48 -0.01 -0.05 -0.04 1.49 -1.09 3k6mC1 ILE 14 HG13 -0.70 0.11 0.02 -0.04 1.21 0.59 3k6mC1 ILE 14 HG23 -0.26 0.01 -0.18 -0.04 0.93 0.45 3k6mC1 ILE 14 HD13 -0.38 -0.04 -0.05 -0.04 0.88 0.37 3k6mC1 PRO 15 HA -0.01 0.09 0.55 -0.51 4.44 4.55 3k6mC1 PRO 15 HB2 0.03 0.16 -0.00 -0.04 2.28 2.43 3k6mC1 PRO 15 HB3 0.04 0.02 0.09 -0.04 2.02 2.12 3k6mC1 PRO 15 HG2 0.07 -0.04 -0.01 -0.04 2.03 2.02 3k6mC1 PRO 15 HG3 0.10 0.02 0.07 -0.04 2.03 2.18 3k6mC1 PRO 15 HD2 0.14 -0.04 0.20 -0.04 3.68 3.93 3k6mC1 PRO 15 HD3 0.18 0.30 0.28 -0.04 3.65 4.38 3k6mC1 ASN 16 H -0.01 0.09 0.16 -0.55 8.53 8.23 3k6mC1 ASN 16 HA -0.01 0.12 0.63 -0.75 4.76 4.74 3k6mC1 ASN 16 HB2 0.00 -0.04 0.13 -0.04 2.88 2.93 3k6mC1 ASN 16 HB3 -0.00 0.06 0.03 -0.04 2.79 2.83 3k6mC1 ASN 16 HD21 -0.01 0.04 0.04 -0.04 7.03 7.07 3k6mC1 ASN 16 HD22 -0.00 -0.01 0.05 -0.04 7.74 7.73 3k6mC1 GLY 17 H -0.00 0.53 0.20 -0.55 8.43 8.62 3k6mC1 GLY 17 HA2 0.01 0.31 0.38 -0.51 4.01 4.21 3k6mC1 GLY 17 HA3 0.01 0.02 0.51 -0.51 4.01 4.04 3k6mC1 ALA 18 H 0.01 0.35 -0.27 -0.55 8.40 7.94 3k6mC1 ALA 18 HA 0.06 0.01 0.36 -0.75 4.34 4.02 3k6mC1 ALA 18 HB3 0.08 0.01 0.01 -0.04 1.41 1.46 3k6mC1 THR 19 H 0.07 0.10 0.29 -0.55 8.28 8.19 3k6mC1 THR 19 HA 0.03 0.33 1.05 -0.75 4.39 5.05 3k6mC1 THR 19 HB 0.05 -0.15 0.34 -0.04 4.32 4.51 3k6mC1 THR 19 HG23 0.03 0.02 -0.04 -0.04 1.22 1.18 3k6mC1 VAL 20 H 0.03 0.77 0.34 -0.55 8.24 8.83 3k6mC1 VAL 20 HA 0.11 0.25 1.05 -0.75 4.13 4.79 3k6mC1 VAL 20 HB 0.01 -0.04 -0.01 -0.04 2.12 2.04 3k6mC1 VAL 20 HG13 0.04 -0.01 -0.26 -0.04 0.97 0.70 3k6mC1 VAL 20 HG23 0.02 0.02 -0.32 -0.04 0.95 0.63 3k6mC1 LEU 21 H 0.07 0.65 0.43 -0.55 8.37 8.98 3k6mC1 LEU 21 HA 0.01 0.19 0.85 -0.75 4.35 4.65 3k6mC1 LEU 21 HB2 0.04 -0.11 0.19 -0.04 1.64 1.73 3k6mC1 LEU 21 HB3 0.03 -0.02 0.08 -0.04 1.64 1.69 3k6mC1 LEU 21 HG 0.05 0.11 0.05 -0.04 1.64 1.81 3k6mC1 LEU 21 HD13 0.03 0.05 -0.12 -0.04 0.93 0.85 3k6mC1 LEU 21 HD23 0.03 -0.01 -0.28 -0.04 0.89 0.58 3k6mC1 VAL 22 H -0.01 0.73 0.37 -0.55 8.24 8.78 3k6mC1 VAL 22 HA 0.02 0.19 1.09 -0.75 4.13 4.67 3k6mC1 VAL 22 HB -0.03 -0.04 0.12 -0.04 2.12 2.13 3k6mC1 VAL 22 HG13 -0.02 0.02 -0.01 -0.04 0.97 0.92 3k6mC1 VAL 22 HG23 -0.01 0.03 -0.25 -0.04 0.95 0.68 3k6mC1 GLY 23 H 0.04 0.56 0.35 -0.55 8.43 8.84 3k6mC1 GLY 23 HA2 0.09 -0.02 0.41 -0.51 4.01 3.97 3k6mC1 GLY 23 HA3 0.08 -0.01 0.45 -0.51 4.01 4.01 3k6mC1 GLY 24 H 0.13 -0.11 0.20 -0.55 8.43 8.11 3k6mC1 GLY 24 HA2 0.11 0.24 0.25 -0.51 4.01 4.09 3k6mC1 GLY 24 HA3 0.07 0.11 0.59 -0.51 4.01 4.26 3k6mC1 PHE 25 H 0.20 0.76 0.15 -0.55 8.34 8.90 3k6mC1 PHE 25 HA 0.05 0.07 0.77 -0.75 4.62 4.75 3k6mC1 PHE 25 HB2 0.12 -0.04 0.06 -0.04 3.15 3.25 3k6mC1 PHE 25 HB3 0.04 0.09 0.19 -0.04 3.06 3.34 3k6mC1 PHE 25 HD2 0.12 -0.01 -0.08 -0.04 7.28 7.27 3k6mC1 PHE 25 HE2 0.07 -0.00 -0.04 -0.04 7.38 7.36 3k6mC1 PHE 25 HZ -0.01 -0.02 0.08 -0.04 7.32 7.33 3k6mC1 GLY 26 H -0.30 0.13 0.05 -0.55 8.43 7.76 3k6mC1 GLY 26 HA2 -0.07 0.09 0.29 -0.51 4.01 3.81 3k6mC1 GLY 26 HA3 0.01 0.06 0.63 -0.51 4.01 4.20 3k6mC1 LEU 27 H 0.08 0.18 0.14 -0.55 8.37 8.21 3k6mC1 LEU 27 HA 0.11 0.13 0.75 -0.75 4.35 4.58 3k6mC1 LEU 27 HB2 0.10 0.09 0.04 -0.04 1.64 1.82 3k6mC1 LEU 27 HB3 0.20 -0.02 0.13 -0.04 1.64 1.91 3k6mC1 LEU 27 HG 0.08 -0.01 -0.13 -0.04 1.64 1.55 3k6mC1 LEU 27 HD13 0.10 -0.00 -0.17 -0.04 0.93 0.82 3k6mC1 LEU 27 HD23 0.18 0.01 -0.28 -0.04 0.89 0.76 3k6mC1 CYS 28 H 0.12 0.57 -0.23 -0.55 8.50 8.41 3k6mC1 CYS 28 HA 0.06 0.14 0.70 -0.75 4.58 4.73 3k6mC1 CYS 28 HB2 0.09 -0.04 0.06 -0.04 2.97 3.04 3k6mC1 CYS 28 HB3 0.15 0.09 0.21 -0.04 2.97 3.38 3k6mC1 GLY 29 H 0.06 0.18 0.18 -0.55 8.43 8.30 3k6mC1 GLY 29 HA2 0.07 0.01 0.31 -0.51 4.01 3.90 3k6mC1 GLY 29 HA3 0.07 0.26 0.57 -0.51 4.01 4.39 3k6mC1 ILE 30 H 0.09 0.10 -0.19 -0.55 8.25 7.70 3k6mC1 ILE 30 HA 0.05 0.41 0.66 -0.75 4.18 4.55 3k6mC1 ILE 30 HB -0.02 -0.00 -0.07 -0.04 1.89 1.75 3k6mC1 ILE 30 HG12 0.11 0.16 -0.12 -0.04 1.49 1.60 3k6mC1 ILE 30 HG13 0.07 -0.12 0.01 -0.04 1.21 1.14 3k6mC1 ILE 30 HG23 0.04 0.03 -0.19 -0.04 0.93 0.77 3k6mC1 ILE 30 HD13 -0.01 -0.01 -0.00 -0.04 0.88 0.81 3k6mC1 PRO 31 HA 0.10 0.10 0.56 -0.51 4.44 4.70 3k6mC1 PRO 31 HB2 0.03 -0.09 0.02 -0.04 2.28 2.19 3k6mC1 PRO 31 HB3 0.06 0.07 -0.35 -0.04 2.02 1.76 3k6mC1 PRO 31 HG2 -0.01 -0.03 0.02 -0.04 2.03 1.97 3k6mC1 PRO 31 HG3 0.02 0.26 -0.06 -0.04 2.03 2.22 3k6mC1 PRO 31 HD2 0.01 0.16 0.11 -0.04 3.68 3.92 3k6mC1 PRO 31 HD3 0.05 0.21 0.11 -0.04 3.65 3.97 3k6mC1 GLU 32 H 0.08 0.46 0.10 -0.55 8.60 8.70 3k6mC1 GLU 32 HA -0.17 0.06 0.18 -0.75 4.29 3.59 3k6mC1 GLU 32 HB2 -0.18 0.04 0.05 -0.04 2.09 1.96 3k6mC1 GLU 32 HB3 -0.09 0.00 0.07 -0.04 1.99 1.93 3k6mC1 GLU 32 HG2 0.13 0.01 0.19 -0.04 2.34 2.63 3k6mC1 GLU 32 HG3 -0.09 0.14 0.02 -0.04 2.34 2.37 3k6mC1 ASN 33 H -0.04 0.12 -0.09 -0.55 8.53 7.98 3k6mC1 ASN 33 HA -0.08 0.15 0.60 -0.75 4.76 4.67 3k6mC1 ASN 33 HB2 -0.05 0.01 0.06 -0.04 2.88 2.87 3k6mC1 ASN 33 HB3 -0.07 0.02 0.05 -0.04 2.79 2.75 3k6mC1 ASN 33 HD21 -1.12 0.49 0.06 -0.04 7.03 6.42 3k6mC1 ASN 33 HD22 -0.36 -0.06 0.06 -0.04 7.74 7.34 3k6mC1 LEU 34 H -0.01 0.10 -0.28 -0.55 8.37 7.63 3k6mC1 LEU 34 HA -0.04 0.09 0.40 -0.75 4.35 4.04 3k6mC1 LEU 34 HB2 -0.01 0.05 -0.03 -0.04 1.64 1.61 3k6mC1 LEU 34 HB3 -0.03 0.10 -0.07 -0.04 1.64 1.61 3k6mC1 LEU 34 HG 0.02 -0.17 -0.08 -0.04 1.64 1.37 3k6mC1 LEU 34 HD13 0.02 0.01 -0.14 -0.04 0.93 0.79 3k6mC1 LEU 34 HD23 -0.02 0.02 -0.19 -0.04 0.89 0.65 3k6mC1 ILE 35 H -0.05 0.55 -0.12 -0.55 8.25 8.07 3k6mC1 ILE 35 HA -0.06 0.10 0.51 -0.75 4.18 3.97 3k6mC1 ILE 35 HB -0.13 0.01 0.02 -0.04 1.89 1.75 3k6mC1 ILE 35 HG12 -0.06 0.04 -0.11 -0.04 1.49 1.32 3k6mC1 ILE 35 HG13 -0.05 0.06 -0.04 -0.04 1.21 1.14 3k6mC1 ILE 35 HG23 -0.10 0.03 -0.26 -0.04 0.93 0.55 3k6mC1 ILE 35 HD13 -0.10 -0.04 -0.31 -0.04 0.88 0.38 3k6mC1 GLY 36 H -0.08 0.43 -0.25 -0.55 8.43 7.98 3k6mC1 GLY 36 HA2 -0.05 0.06 0.34 -0.51 4.01 3.85 3k6mC1 GLY 36 HA3 -0.05 0.06 0.28 -0.51 4.01 3.79 3k6mC1 ALA 37 H -0.05 0.39 -0.32 -0.55 8.40 7.88 3k6mC1 ALA 37 HA -0.03 0.02 0.49 -0.75 4.34 4.06 3k6mC1 ALA 37 HB3 -0.04 0.01 -0.09 -0.04 1.41 1.25 3k6mC1 LEU 38 H -0.05 0.45 -0.24 -0.55 8.37 7.98 3k6mC1 LEU 38 HA -0.06 0.00 0.51 -0.75 4.35 4.05 3k6mC1 LEU 38 HB2 -0.05 0.00 0.08 -0.04 1.64 1.63 3k6mC1 LEU 38 HB3 -0.05 0.00 -0.04 -0.04 1.64 1.51 3k6mC1 LEU 38 HG -0.07 0.00 0.01 -0.04 1.64 1.54 3k6mC1 LEU 38 HD13 -0.05 -0.04 -0.09 -0.04 0.93 0.70 3k6mC1 LEU 38 HD23 -0.11 0.00 -0.05 -0.04 0.89 0.69 3k6mC1 LEU 39 H -0.04 0.34 -0.34 -0.55 8.37 7.78 3k6mC1 LEU 39 HA -0.02 0.08 0.37 -0.75 4.35 4.02 3k6mC1 LEU 39 HB2 -0.02 0.14 0.10 -0.04 1.64 1.81 3k6mC1 LEU 39 HB3 -0.02 0.00 -0.03 -0.04 1.64 1.56 3k6mC1 LEU 39 HG -0.04 0.12 -0.08 -0.04 1.64 1.60 3k6mC1 LEU 39 HD13 -0.02 -0.04 -0.06 -0.04 0.93 0.77 3k6mC1 LEU 39 HD23 -0.02 -0.01 -0.19 -0.04 0.89 0.62 3k6mC1 LYS 40 H -0.03 0.25 -0.28 -0.55 8.42 7.81 3k6mC1 LYS 40 HA -0.01 0.07 0.50 -0.75 4.32 4.12 3k6mC1 LYS 40 HB2 -0.02 0.08 0.17 -0.04 1.87 2.06 3k6mC1 LYS 40 HB3 -0.01 -0.03 0.00 -0.04 1.79 1.71 3k6mC1 LYS 40 HG2 -0.01 -0.00 0.01 -0.04 1.46 1.42 3k6mC1 LYS 40 HG3 -0.02 0.09 0.04 -0.04 1.46 1.53 3k6mC1 LYS 40 HD2 -0.01 -0.06 0.01 -0.04 1.69 1.58 3k6mC1 LYS 40 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.60 3k6mC1 LYS 40 HE2 -0.01 -0.03 -0.06 -0.04 2.99 2.85 3k6mC1 LYS 40 HE3 -0.02 0.17 -0.15 -0.04 2.99 2.95 3k6mC1 THR 41 H -0.03 0.38 -0.05 -0.55 8.28 8.03 3k6mC1 THR 41 HA -0.02 0.08 0.58 -0.75 4.39 4.27 3k6mC1 THR 41 HB -0.04 0.06 0.06 -0.04 4.32 4.36 3k6mC1 THR 41 HG23 -0.05 0.04 -0.04 -0.04 1.22 1.13 3k6mC1 GLY 42 H -0.03 0.44 -0.25 -0.55 8.43 8.04 3k6mC1 GLY 42 HA2 -0.02 0.04 0.24 -0.51 4.01 3.76 3k6mC1 GLY 42 HA3 -0.02 0.05 0.29 -0.51 4.01 3.83 3k6mC1 VAL 43 H -0.04 -0.02 -0.31 -0.55 8.24 7.32 3k6mC1 VAL 43 HA -0.03 0.02 0.33 -0.75 4.13 3.69 3k6mC1 VAL 43 HB -0.07 0.07 -0.02 -0.04 2.12 2.06 3k6mC1 VAL 43 HG13 -0.08 -0.03 -0.09 -0.04 0.97 0.73 3k6mC1 VAL 43 HG23 -0.06 -0.01 -0.32 -0.04 0.95 0.52 3k6mC1 LYS 44 H -0.02 0.06 0.23 -0.55 8.42 8.13 3k6mC1 LYS 44 HA -0.01 0.33 1.07 -0.75 4.32 4.95 3k6mC1 LYS 44 HB2 -0.01 -0.04 0.19 -0.04 1.87 1.97 3k6mC1 LYS 44 HB3 -0.01 0.22 -0.14 -0.04 1.79 1.81 3k6mC1 LYS 44 HG2 -0.01 -0.05 0.10 -0.04 1.46 1.46 3k6mC1 LYS 44 HG3 -0.01 -0.05 -0.10 -0.04 1.46 1.26 3k6mC1 LYS 44 HD2 -0.00 0.06 0.02 -0.04 1.69 1.72 3k6mC1 LYS 44 HD3 -0.01 0.05 0.02 -0.04 1.68 1.70 3k6mC1 LYS 44 HE2 -0.00 -0.04 -0.00 -0.04 2.99 2.91 3k6mC1 LYS 44 HE3 -0.00 -0.02 -0.02 -0.04 2.99 2.90 3k6mC1 GLU 45 H -0.00 0.26 0.09 -0.55 8.60 8.40 3k6mC1 GLU 45 HA 0.00 0.04 0.27 -0.75 4.29 3.85 3k6mC1 GLU 45 HB2 0.00 0.03 0.06 -0.04 2.09 2.15 3k6mC1 GLU 45 HB3 0.00 0.01 0.21 -0.04 1.99 2.18 3k6mC1 GLU 45 HG2 -0.00 -0.05 -0.13 -0.04 2.34 2.12 3k6mC1 GLU 45 HG3 0.00 0.01 -0.05 -0.04 2.34 2.26 3k6mC1 LEU 46 H -0.00 0.52 0.02 -0.55 8.37 8.36 3k6mC1 LEU 46 HA 0.00 0.24 0.30 -0.75 4.35 4.14 3k6mC1 LEU 46 HB2 -0.01 -0.10 -0.03 -0.04 1.64 1.46 3k6mC1 LEU 46 HB3 -0.00 0.00 -0.17 -0.04 1.64 1.43 3k6mC1 LEU 46 HG -0.02 0.14 -0.20 -0.04 1.64 1.51 3k6mC1 LEU 46 HD13 -0.03 -0.04 -0.18 -0.04 0.93 0.64 3k6mC1 LEU 46 HD23 -0.03 -0.02 -0.18 -0.04 0.89 0.62 3k6mC1 THR 47 H 0.01 0.70 0.28 -0.55 8.28 8.73 3k6mC1 THR 47 HA 0.01 0.21 0.89 -0.75 4.39 4.74 3k6mC1 THR 47 HB 0.02 -0.03 0.24 -0.04 4.32 4.51 3k6mC1 THR 47 HG23 0.01 -0.02 -0.19 -0.04 1.22 0.98 3k6mC1 ALA 48 H 0.00 0.69 0.26 -0.55 8.40 8.80 3k6mC1 ALA 48 HA -0.00 0.25 0.72 -0.75 4.34 4.55 3k6mC1 ALA 48 HB3 -0.01 -0.02 -0.02 -0.04 1.41 1.31 3k6mC1 VAL 49 H -0.01 0.66 0.31 -0.55 8.24 8.66 3k6mC1 VAL 49 HA -0.05 0.18 0.87 -0.75 4.13 4.38 3k6mC1 VAL 49 HB -0.00 -0.08 0.18 -0.04 2.12 2.17 3k6mC1 VAL 49 HG13 -0.03 -0.01 -0.10 -0.04 0.97 0.79 3k6mC1 VAL 49 HG23 0.00 0.03 -0.15 -0.04 0.95 0.78 3k6mC1 SER 50 H -0.12 0.71 0.25 -0.55 8.46 8.76 3k6mC1 SER 50 HA -0.14 0.23 0.96 -0.75 4.49 4.78 3k6mC1 SER 50 HB2 -0.07 -0.01 -0.25 -0.04 3.95 3.58 3k6mC1 SER 50 HB3 -0.10 0.03 -0.04 -0.04 3.93 3.78 3k6mC1 ASN 51 H -0.37 0.26 0.24 -0.55 8.53 8.12 3k6mC1 ASN 51 HA -0.43 -0.02 0.54 -0.75 4.76 4.10 3k6mC1 ASN 51 HB2 -1.08 0.03 0.26 -0.04 2.88 2.05 3k6mC1 ASN 51 HB3 -0.27 0.09 0.27 -0.04 2.79 2.84 3k6mC1 ASN 51 HD21 -0.04 -0.08 0.03 -0.04 7.03 6.90 3k6mC1 ASN 51 HD22 -0.30 -0.01 0.07 -0.04 7.74 7.47 3k6mC1 ASN 52 H -0.18 0.17 -0.06 -0.55 8.53 7.91 3k6mC1 ASN 52 HA -0.18 0.47 0.98 -0.75 4.76 5.28 3k6mC1 ASN 52 HB2 -0.13 -0.09 0.06 -0.04 2.88 2.68 3k6mC1 ASN 52 HB3 -0.11 0.09 0.22 -0.04 2.79 2.95 3k6mC1 ASN 52 HD21 -0.31 -0.11 -0.01 -0.04 7.03 6.56 3k6mC1 ASN 52 HD22 0.03 0.45 0.17 -0.04 7.74 8.35 3k6mC1 ALA 53 H -0.21 0.27 0.15 -0.55 8.40 8.07 3k6mC1 ALA 53 HA -0.12 0.19 0.63 -0.75 4.34 4.28 3k6mC1 ALA 53 HB3 -0.34 0.03 -0.01 -0.04 1.41 1.05 3k6mC1 GLY 54 H -0.07 0.03 -0.35 -0.55 8.43 7.49 3k6mC1 GLY 54 HA2 0.00 0.03 0.15 -0.51 4.01 3.68 3k6mC1 GLY 54 HA3 0.00 -0.04 0.43 -0.51 4.01 3.89 3k6mC1 VAL 55 H 0.08 0.20 0.15 -0.55 8.24 8.12 3k6mC1 VAL 55 HA 0.03 0.43 0.74 -0.75 4.13 4.58 3k6mC1 VAL 55 HB 0.05 -0.03 0.24 -0.04 2.12 2.34 3k6mC1 VAL 55 HG13 0.05 0.03 -0.13 -0.04 0.97 0.87 3k6mC1 VAL 55 HG23 0.11 -0.09 -0.06 -0.04 0.95 0.87 3k6mC1 ASP 56 H 0.05 0.21 0.23 -0.55 8.40 8.34 3k6mC1 ASP 56 HA 0.06 0.04 0.27 -0.75 4.63 4.25 3k6mC1 ASP 56 HB2 0.04 0.01 0.14 -0.04 2.71 2.87 3k6mC1 ASP 56 HB3 0.04 0.12 0.03 -0.04 2.70 2.85 3k6mC1 ASN 57 H 0.08 -0.04 -0.22 -0.55 8.53 7.80 3k6mC1 ASN 57 HA 0.07 0.00 0.71 -0.75 4.76 4.79 3k6mC1 ASN 57 HB2 0.06 0.00 0.00 -0.04 2.88 2.90 3k6mC1 ASN 57 HB3 0.08 0.00 0.09 -0.04 2.79 2.92 3k6mC1 ASN 57 HD21 0.03 0.06 -0.09 -0.04 7.03 6.99 3k6mC1 ASN 57 HD22 0.03 -0.08 -0.11 -0.04 7.74 7.55 3k6mC1 PHE 58 H 0.17 0.12 -0.14 -0.55 8.34 7.94 3k6mC1 PHE 58 HA 0.01 0.34 0.97 -0.75 4.62 5.18 3k6mC1 PHE 58 HB2 0.01 -0.01 -0.12 -0.04 3.15 2.99 3k6mC1 PHE 58 HB3 0.01 -0.05 -0.07 -0.04 3.06 2.92 3k6mC1 PHE 58 HD2 0.01 0.10 0.01 -0.04 7.28 7.37 3k6mC1 PHE 58 HE2 0.02 0.02 0.03 -0.04 7.38 7.41 3k6mC1 PHE 58 HZ 0.02 -0.05 0.02 -0.04 7.32 7.27 3k6mC1 GLY 59 H -0.81 0.15 0.10 -0.55 8.43 7.32 3k6mC1 GLY 59 HA2 -0.23 0.07 0.24 -0.51 4.01 3.58 3k6mC1 GLY 59 HA3 -0.07 0.02 0.38 -0.51 4.01 3.83 3k6mC1 LEU 60 H -0.05 0.16 0.03 -0.55 8.37 7.96 3k6mC1 LEU 60 HA -0.04 0.06 0.30 -0.75 4.35 3.92 3k6mC1 LEU 60 HB2 -0.05 0.00 0.01 -0.04 1.64 1.56 3k6mC1 LEU 60 HB3 -0.04 0.03 -0.27 -0.04 1.64 1.32 3k6mC1 LEU 60 HG -0.02 -0.04 -0.06 -0.04 1.64 1.48 3k6mC1 LEU 60 HD13 -0.04 0.01 -0.08 -0.04 0.93 0.79 3k6mC1 LEU 60 HD23 -0.04 0.05 -0.10 -0.04 0.89 0.76 3k6mC1 GLY 61 H -0.01 0.15 -0.45 -0.55 8.43 7.58 3k6mC1 GLY 61 HA2 0.04 -0.02 0.30 -0.51 4.01 3.82 3k6mC1 GLY 61 HA3 0.04 0.40 0.20 -0.51 4.01 4.14 3k6mC1 LEU 62 H -0.02 0.47 -0.65 -0.55 8.37 7.61 3k6mC1 LEU 62 HA 0.01 0.07 0.25 -0.75 4.35 3.93 3k6mC1 LEU 62 HB2 -0.06 0.08 -0.09 -0.04 1.64 1.53 3k6mC1 LEU 62 HB3 -0.03 0.02 -0.08 -0.04 1.64 1.51 3k6mC1 LEU 62 HG -0.01 -0.16 -0.42 -0.04 1.64 1.01 3k6mC1 LEU 62 HD13 -0.11 -0.03 -0.01 -0.04 0.93 0.74 3k6mC1 LEU 62 HD23 0.06 0.08 0.04 -0.04 0.89 1.03 3k6mC1 LEU 63 H -0.02 0.38 -0.37 -0.55 8.37 7.81 3k6mC1 LEU 63 HA -0.01 0.12 0.36 -0.75 4.35 4.06 3k6mC1 LEU 63 HB2 -0.01 0.12 -0.02 -0.04 1.64 1.68 3k6mC1 LEU 63 HB3 -0.01 0.01 -0.07 -0.04 1.64 1.52 3k6mC1 LEU 63 HG -0.04 -0.10 -0.15 -0.04 1.64 1.32 3k6mC1 LEU 63 HD13 -0.04 -0.01 -0.10 -0.04 0.93 0.74 3k6mC1 LEU 63 HD23 -0.03 0.04 -0.18 -0.04 0.89 0.68 3k6mC1 LEU 64 H 0.02 0.29 -0.31 -0.55 8.37 7.83 3k6mC1 LEU 64 HA 0.02 0.10 0.69 -0.75 4.35 4.41 3k6mC1 LEU 64 HB2 0.05 0.10 0.06 -0.04 1.64 1.81 3k6mC1 LEU 64 HB3 0.05 -0.00 -0.08 -0.04 1.64 1.57 3k6mC1 LEU 64 HG 0.05 0.07 -0.12 -0.04 1.64 1.60 3k6mC1 LEU 64 HD13 0.19 -0.02 -0.11 -0.04 0.93 0.95 3k6mC1 LEU 64 HD23 0.07 0.01 -0.12 -0.04 0.89 0.81 3k6mC1 GLN 65 H 0.02 0.55 -0.03 -0.55 8.47 8.47 3k6mC1 GLN 65 HA 0.02 0.01 0.47 -0.75 4.36 4.10 3k6mC1 GLN 65 HB2 0.02 0.12 0.13 -0.04 2.15 2.38 3k6mC1 GLN 65 HB3 0.02 -0.03 0.02 -0.04 2.02 1.99 3k6mC1 GLN 65 HG2 0.03 0.20 0.12 -0.04 2.40 2.71 3k6mC1 GLN 65 HG3 0.03 -0.09 0.05 -0.04 2.39 2.34 3k6mC1 GLN 65 HE21 0.03 -0.10 -0.01 -0.04 6.97 6.85 3k6mC1 GLN 65 HE22 0.04 0.24 0.03 -0.04 7.69 7.95 3k6mC1 SER 66 H 0.00 0.25 -0.35 -0.55 8.46 7.82 3k6mC1 SER 66 HA 0.00 0.15 0.65 -0.75 4.49 4.54 3k6mC1 SER 66 HB2 -0.01 0.05 0.10 -0.04 3.95 4.05 3k6mC1 SER 66 HB3 -0.00 -0.03 0.04 -0.04 3.93 3.90 3k6mC1 LYS 67 H 0.01 0.32 -0.64 -0.55 8.42 7.56 3k6mC1 LYS 67 HA 0.00 0.03 0.30 -0.75 4.32 3.90 3k6mC1 LYS 67 HB2 -0.00 0.12 -0.10 -0.04 1.87 1.84 3k6mC1 LYS 67 HB3 0.00 -0.04 0.19 -0.04 1.79 1.90 3k6mC1 LYS 67 HG2 0.00 0.08 -0.19 -0.04 1.46 1.31 3k6mC1 LYS 67 HG3 -0.00 -0.05 -0.06 -0.04 1.46 1.31 3k6mC1 LYS 67 HD2 0.00 0.02 0.03 -0.04 1.69 1.70 3k6mC1 LYS 67 HD3 0.00 0.10 0.04 -0.04 1.68 1.79 3k6mC1 LYS 67 HE2 -0.00 -0.01 -0.00 -0.04 2.99 2.93 3k6mC1 LYS 67 HE3 -0.01 -0.06 -0.01 -0.04 2.99 2.87 3k6mC1 GLN 68 H -0.00 0.46 -0.11 -0.55 8.47 8.28 3k6mC1 GLN 68 HA -0.01 0.13 0.61 -0.75 4.36 4.34 3k6mC1 GLN 68 HB2 -0.01 -0.09 0.02 -0.04 2.15 2.03 3k6mC1 GLN 68 HB3 -0.02 0.08 0.12 -0.04 2.02 2.16 3k6mC1 GLN 68 HG2 -0.01 0.14 -0.20 -0.04 2.40 2.29 3k6mC1 GLN 68 HG3 -0.01 0.05 -0.25 -0.04 2.39 2.15 3k6mC1 GLN 68 HE21 -0.03 0.14 -0.14 -0.04 6.97 6.89 3k6mC1 GLN 68 HE22 -0.03 0.67 -0.14 -0.04 7.69 8.15 3k6mC1 ILE 69 H 0.01 0.20 -0.23 -0.55 8.25 7.68 3k6mC1 ILE 69 HA 0.00 0.10 0.76 -0.75 4.18 4.28 3k6mC1 ILE 69 HB 0.02 -0.02 -0.07 -0.04 1.89 1.78 3k6mC1 ILE 69 HG12 -0.00 0.05 -0.24 -0.04 1.49 1.25 3k6mC1 ILE 69 HG13 -0.00 -0.03 -0.37 -0.04 1.21 0.77 3k6mC1 ILE 69 HG23 0.02 0.00 -0.32 -0.04 0.93 0.59 3k6mC1 ILE 69 HD13 0.01 -0.02 -0.20 -0.04 0.88 0.62 3k6mC1 LYS 70 H 0.01 0.43 0.10 -0.55 8.42 8.40 3k6mC1 LYS 70 HA 0.01 0.17 0.79 -0.75 4.32 4.54 3k6mC1 LYS 70 HB2 0.01 -0.09 0.03 -0.04 1.87 1.78 3k6mC1 LYS 70 HB3 0.01 0.14 -0.11 -0.04 1.79 1.79 3k6mC1 LYS 70 HG2 0.01 -0.04 -0.27 -0.04 1.46 1.12 3k6mC1 LYS 70 HG3 0.01 0.01 0.03 -0.04 1.46 1.47 3k6mC1 LYS 70 HD2 0.01 -0.00 0.00 -0.04 1.69 1.66 3k6mC1 LYS 70 HD3 0.01 0.04 -0.06 -0.04 1.68 1.63 3k6mC1 LYS 70 HE2 0.01 -0.04 -0.06 -0.04 2.99 2.86 3k6mC1 LYS 70 HE3 0.01 0.00 -0.02 -0.04 2.99 2.94 3k6mC1 ARG 71 H 0.02 0.46 0.27 -0.55 8.46 8.65 3k6mC1 ARG 71 HA 0.03 0.37 0.98 -0.75 4.34 4.96 3k6mC1 ARG 71 HB2 0.02 0.03 -0.18 -0.04 1.90 1.73 3k6mC1 ARG 71 HB3 0.01 -0.06 0.00 -0.04 1.80 1.72 3k6mC1 ARG 71 HG2 0.01 -0.03 -0.49 -0.04 1.67 1.11 3k6mC1 ARG 71 HG3 0.02 -0.00 -0.28 -0.04 1.67 1.37 3k6mC1 ARG 71 HD2 0.01 -0.01 -0.15 -0.04 3.22 3.03 3k6mC1 ARG 71 HD3 0.01 -0.04 -0.19 -0.04 3.22 2.96 3k6mC1 MET 72 H 0.04 0.69 0.32 -0.55 8.47 8.97 3k6mC1 MET 72 HA 0.00 0.30 1.02 -0.75 4.52 5.08 3k6mC1 MET 72 HB2 0.08 -0.02 0.05 -0.04 2.15 2.22 3k6mC1 MET 72 HB3 -0.01 -0.02 -0.11 -0.04 2.03 1.85 3k6mC1 MET 72 HG2 0.03 0.02 -0.09 -0.04 2.63 2.55 3k6mC1 MET 72 HG3 0.08 0.02 -0.27 -0.04 2.56 2.35 3k6mC1 MET 72 HE3 -0.14 -0.02 -0.24 -0.04 2.10 1.66 3k6mC1 ILE 73 H -0.03 0.67 0.31 -0.55 8.25 8.66 3k6mC1 ILE 73 HA -0.04 0.20 0.87 -0.75 4.18 4.45 3k6mC1 ILE 73 HB -0.03 -0.07 0.14 -0.04 1.89 1.89 3k6mC1 ILE 73 HG12 -0.01 0.03 -0.12 -0.04 1.49 1.34 3k6mC1 ILE 73 HG13 -0.01 -0.02 -0.38 -0.04 1.21 0.77 3k6mC1 ILE 73 HG23 -0.04 0.00 -0.11 -0.04 0.93 0.75 3k6mC1 ILE 73 HD13 -0.00 0.01 -0.11 -0.04 0.88 0.74 3k6mC1 SER 74 H -0.08 0.63 0.25 -0.55 8.46 8.71 3k6mC1 SER 74 HA -0.16 0.23 0.85 -0.75 4.49 4.65 3k6mC1 SER 74 HB2 -0.15 -0.07 -0.27 -0.04 3.95 3.42 3k6mC1 SER 74 HB3 -0.19 -0.01 -0.19 -0.04 3.93 3.50 3k6mC1 SER 75 H -0.15 0.52 0.42 -0.55 8.46 8.70 3k6mC1 SER 75 HA -0.09 0.18 1.13 -0.75 4.49 4.95 3k6mC1 SER 75 HB2 -0.05 -0.14 0.24 -0.04 3.95 3.96 3k6mC1 SER 75 HB3 -0.08 0.05 0.07 -0.04 3.93 3.94 3k6mC1 TYR 76 H -0.08 0.58 0.30 -0.55 8.29 8.53 3k6mC1 TYR 76 HA -0.08 0.27 0.91 -0.75 4.56 4.90 3k6mC1 TYR 76 HB2 -0.06 -0.10 -0.11 -0.04 3.06 2.75 3k6mC1 TYR 76 HB3 -0.16 -0.05 0.11 -0.04 2.98 2.83 3k6mC1 TYR 76 HD2 -0.08 0.04 -0.13 -0.04 7.15 6.95 3k6mC1 TYR 76 HE2 -0.01 0.06 -0.05 -0.04 6.85 6.81 3k6mC1 VAL 77 H -0.68 0.78 0.24 -0.55 8.24 8.04 3k6mC1 VAL 77 HA -0.49 0.02 0.85 -0.75 4.13 3.75 3k6mC1 VAL 77 HB -1.77 0.01 0.02 -0.04 2.12 0.34 3k6mC1 VAL 77 HG13 -0.54 -0.02 -0.38 -0.04 0.97 -0.01 3k6mC1 VAL 77 HG23 -0.26 0.05 -0.36 -0.04 0.95 0.34 3k6mC1 GLY 78 H -1.39 0.04 0.09 -0.55 8.43 6.63 3k6mC1 GLY 78 HA2 -0.20 0.17 0.64 -0.51 4.01 4.11 3k6mC1 GLY 78 HA3 -0.36 -0.00 0.38 -0.51 4.01 3.52 3k6mC1 GLU 79 H -0.00 0.13 0.14 -0.55 8.60 8.33 3k6mC1 GLU 79 HA 0.03 0.01 0.32 -0.75 4.29 3.90 3k6mC1 GLU 79 HB2 0.07 0.21 -0.15 -0.04 2.09 2.17 3k6mC1 GLU 79 HB3 0.04 -0.04 0.23 -0.04 1.99 2.18 3k6mC1 GLU 79 HG2 0.07 0.04 -0.03 -0.04 2.34 2.37 3k6mC1 GLU 79 HG3 0.05 0.02 0.04 -0.04 2.34 2.42 3k6mC1 ASN 80 H 0.02 0.21 -0.30 -0.55 8.53 7.91 3k6mC1 ASN 80 HA 0.05 -0.03 0.66 -0.75 4.76 4.68 3k6mC1 ASN 80 HB2 0.00 0.26 -0.36 -0.04 2.88 2.75 3k6mC1 ASN 80 HB3 0.04 0.10 -0.02 -0.04 2.79 2.88 3k6mC1 ASN 80 HD21 0.07 0.02 -0.14 -0.04 7.03 6.94 3k6mC1 ASN 80 HD22 0.03 0.57 -0.20 -0.04 7.74 8.10 3k6mC1 ALA 81 H 0.05 0.18 0.06 -0.55 8.40 8.14 3k6mC1 ALA 81 HA 0.06 0.11 0.43 -0.75 4.34 4.19 3k6mC1 ALA 81 HB3 0.03 0.04 0.10 -0.04 1.41 1.54 3k6mC1 GLU 82 H 0.06 0.03 -0.12 -0.55 8.60 8.03 3k6mC1 GLU 82 HA 0.02 0.14 0.45 -0.75 4.29 4.15 3k6mC1 GLU 82 HB2 0.03 0.00 0.07 -0.04 2.09 2.15 3k6mC1 GLU 82 HB3 0.06 -0.03 0.05 -0.04 1.99 2.02 3k6mC1 GLU 82 HG2 0.03 0.07 -0.11 -0.04 2.34 2.29 3k6mC1 GLU 82 HG3 0.03 0.02 -0.31 -0.04 2.34 2.04 3k6mC1 PHE 83 H 0.19 0.02 -0.28 -0.55 8.34 7.71 3k6mC1 PHE 83 HA 0.01 0.11 0.41 -0.75 4.62 4.40 3k6mC1 PHE 83 HB2 -0.02 0.00 0.01 -0.04 3.15 3.10 3k6mC1 PHE 83 HB3 -0.02 0.14 0.08 -0.04 3.06 3.22 3k6mC1 PHE 83 HD2 -0.03 0.02 -0.14 -0.04 7.28 7.09 3k6mC1 PHE 83 HE2 -0.10 -0.00 -0.17 -0.04 7.38 7.07 3k6mC1 PHE 83 HZ -0.40 0.00 -0.18 -0.04 7.32 6.71 3k6mC1 GLU 84 H 0.21 0.38 -0.17 -0.55 8.60 8.48 3k6mC1 GLU 84 HA -0.09 0.02 0.38 -0.75 4.29 3.86 3k6mC1 GLU 84 HB2 0.19 0.02 0.13 -0.04 2.09 2.39 3k6mC1 GLU 84 HB3 0.06 0.07 0.10 -0.04 1.99 2.18 3k6mC1 GLU 84 HG2 0.04 0.06 -0.10 -0.04 2.34 2.30 3k6mC1 GLU 84 HG3 0.17 -0.05 0.03 -0.04 2.34 2.44 3k6mC1 ARG 85 H -0.02 0.53 -0.15 -0.55 8.46 8.27 3k6mC1 ARG 85 HA -0.06 0.03 0.39 -0.75 4.34 3.95 3k6mC1 ARG 85 HB2 -0.02 -0.03 0.11 -0.04 1.90 1.92 3k6mC1 ARG 85 HB3 -0.02 0.07 0.16 -0.04 1.80 1.96 3k6mC1 ARG 85 HG2 -0.04 0.04 -0.26 -0.04 1.67 1.37 3k6mC1 ARG 85 HG3 -0.04 -0.01 0.01 -0.04 1.67 1.59 3k6mC1 ARG 85 HD2 -0.02 -0.04 -0.01 -0.04 3.22 3.11 3k6mC1 ARG 85 HD3 -0.01 -0.02 -0.02 -0.04 3.22 3.13 3k6mC1 GLN 86 H -0.10 0.52 -0.15 -0.55 8.47 8.19 3k6mC1 GLN 86 HA -0.05 0.04 0.35 -0.75 4.36 3.94 3k6mC1 GLN 86 HB2 -0.14 0.05 0.12 -0.04 2.15 2.14 3k6mC1 GLN 86 HB3 -0.05 -0.01 -0.11 -0.04 2.02 1.81 3k6mC1 GLN 86 HG2 -0.03 -0.02 -0.01 -0.04 2.40 2.30 3k6mC1 GLN 86 HG3 -0.03 0.13 0.05 -0.04 2.39 2.50 3k6mC1 GLN 86 HE21 0.01 0.35 -0.02 -0.04 6.97 7.27 3k6mC1 GLN 86 HE22 0.00 -0.09 -0.11 -0.04 7.69 7.45 3k6mC1 TYR 87 H -0.25 0.53 -0.16 -0.55 8.29 7.86 3k6mC1 TYR 87 HA -0.12 0.19 0.54 -0.75 4.56 4.41 3k6mC1 TYR 87 HB2 -0.67 -0.02 0.01 -0.04 3.06 2.33 3k6mC1 TYR 87 HB3 -0.46 0.02 0.12 -0.04 2.98 2.62 3k6mC1 TYR 87 HD2 0.01 0.09 -0.03 -0.04 7.15 7.18 3k6mC1 TYR 87 HE2 0.11 0.00 -0.14 -0.04 6.85 6.79 3k6mC1 LEU 88 H -0.12 0.65 -0.02 -0.55 8.37 8.33 3k6mC1 LEU 88 HA -0.63 -0.01 0.28 -0.75 4.35 3.24 3k6mC1 LEU 88 HB2 -0.16 0.08 0.09 -0.04 1.64 1.60 3k6mC1 LEU 88 HB3 -0.30 0.03 0.04 -0.04 1.64 1.37 3k6mC1 LEU 88 HG -0.05 0.05 0.01 -0.04 1.64 1.61 3k6mC1 LEU 88 HD13 -0.08 0.01 -0.25 -0.04 0.93 0.57 3k6mC1 LEU 88 HD23 -0.33 -0.03 -0.10 -0.04 0.89 0.38 3k6mC1 ALA 89 H -0.12 0.47 -0.28 -0.55 8.40 7.92 3k6mC1 ALA 89 HA -0.11 0.11 0.55 -0.75 4.34 4.14 3k6mC1 ALA 89 HB3 -0.06 -0.03 0.10 -0.04 1.41 1.37 3k6mC1 GLY 90 H -0.04 0.35 -0.36 -0.55 8.43 7.83 3k6mC1 GLY 90 HA2 0.05 -0.08 0.34 -0.51 4.01 3.81 3k6mC1 GLY 90 HA3 0.02 0.10 0.45 -0.51 4.01 4.07 3k6mC1 GLU 91 H -0.01 0.38 0.06 -0.55 8.60 8.48 3k6mC1 GLU 91 HA 0.00 0.14 0.74 -0.75 4.29 4.42 3k6mC1 GLU 91 HB2 -0.02 -0.03 0.12 -0.04 2.09 2.12 3k6mC1 GLU 91 HB3 -0.01 -0.02 0.07 -0.04 1.99 1.99 3k6mC1 GLU 91 HG2 -0.01 0.00 -0.04 -0.04 2.34 2.24 3k6mC1 GLU 91 HG3 -0.02 0.02 -0.18 -0.04 2.34 2.12 3k6mC1 LEU 92 H 0.03 0.29 -0.01 -0.55 8.37 8.13 3k6mC1 LEU 92 HA 0.03 0.28 0.87 -0.75 4.35 4.77 3k6mC1 LEU 92 HB2 -0.02 -0.01 -0.26 -0.04 1.64 1.32 3k6mC1 LEU 92 HB3 -0.03 -0.12 -0.30 -0.04 1.64 1.16 3k6mC1 LEU 92 HG 0.04 0.11 -0.37 -0.04 1.64 1.37 3k6mC1 LEU 92 HD13 0.04 0.03 -0.25 -0.04 0.93 0.71 3k6mC1 LEU 92 HD23 -0.08 -0.05 -0.14 -0.04 0.89 0.59 3k6mC1 GLU 93 H 0.04 0.63 0.31 -0.55 8.60 9.04 3k6mC1 GLU 93 HA 0.11 0.32 0.88 -0.75 4.29 4.84 3k6mC1 GLU 93 HB2 0.03 -0.06 0.14 -0.04 2.09 2.15 3k6mC1 GLU 93 HB3 0.04 -0.06 -0.03 -0.04 1.99 1.89 3k6mC1 GLU 93 HG2 0.03 -0.04 -0.10 -0.04 2.34 2.19 3k6mC1 GLU 93 HG3 0.03 0.08 -0.03 -0.04 2.34 2.38 3k6mC1 VAL 94 H 0.13 0.72 0.33 -0.55 8.24 8.86 3k6mC1 VAL 94 HA 0.02 0.21 0.90 -0.75 4.13 4.50 3k6mC1 VAL 94 HB -0.42 0.03 0.05 -0.04 2.12 1.75 3k6mC1 VAL 94 HG13 -0.04 -0.05 -0.29 -0.04 0.97 0.54 3k6mC1 VAL 94 HG23 -0.04 0.01 -0.34 -0.04 0.95 0.54 3k6mC1 GLU 95 H -0.01 0.65 0.25 -0.55 8.60 8.95 3k6mC1 GLU 95 HA 0.01 0.16 0.87 -0.75 4.29 4.58 3k6mC1 GLU 95 HB2 -0.02 -0.06 0.21 -0.04 2.09 2.18 3k6mC1 GLU 95 HB3 -0.02 0.02 -0.02 -0.04 1.99 1.93 3k6mC1 GLU 95 HG2 0.01 0.02 -0.07 -0.04 2.34 2.25 3k6mC1 GLU 95 HG3 0.00 0.01 -0.12 -0.04 2.34 2.19 3k6mC1 LEU 96 H 0.01 0.25 -0.03 -0.55 8.37 8.06 3k6mC1 LEU 96 HA -0.08 0.23 0.65 -0.75 4.35 4.39 3k6mC1 LEU 96 HB2 0.04 0.02 0.13 -0.04 1.64 1.79 3k6mC1 LEU 96 HB3 -0.09 -0.17 0.05 -0.04 1.64 1.40 3k6mC1 LEU 96 HG -0.02 0.12 -0.13 -0.04 1.64 1.57 3k6mC1 LEU 96 HD13 0.32 -0.02 -0.04 -0.04 0.93 1.15 3k6mC1 LEU 96 HD23 -0.06 -0.00 -0.18 -0.04 0.89 0.61 3k6mC1 THR 97 H -0.11 0.59 0.37 -0.55 8.28 8.58 3k6mC1 THR 97 HA -0.12 0.20 0.78 -0.75 4.39 4.50 3k6mC1 THR 97 HB -0.08 -0.09 -0.13 -0.04 4.32 3.98 3k6mC1 THR 97 HG23 -0.05 0.02 -0.19 -0.04 1.22 0.96 3k6mC1 PRO 98 HA -0.15 0.09 0.51 -0.51 4.44 4.39 3k6mC1 PRO 98 HB2 -0.09 -0.14 0.01 -0.04 2.28 2.02 3k6mC1 PRO 98 HB3 -0.10 -0.07 0.05 -0.04 2.02 1.85 3k6mC1 PRO 98 HG2 -0.09 0.15 -0.06 -0.04 2.03 1.99 3k6mC1 PRO 98 HG3 -0.18 0.03 0.03 -0.04 2.03 1.86 3k6mC1 PRO 98 HD2 -0.09 0.15 0.12 -0.04 3.68 3.83 3k6mC1 PRO 98 HD3 -0.16 0.27 0.17 -0.04 3.65 3.89 3k6mC1 GLN 99 H -0.13 0.63 0.23 -0.55 8.47 8.65 3k6mC1 GLN 99 HA -0.05 0.14 0.31 -0.75 4.36 4.00 3k6mC1 GLN 99 HB2 0.03 -0.03 -0.12 -0.04 2.15 1.98 3k6mC1 GLN 99 HB3 -0.26 -0.08 -0.09 -0.04 2.02 1.56 3k6mC1 GLN 99 HG2 0.24 0.03 -0.14 -0.04 2.40 2.49 3k6mC1 GLN 99 HG3 0.32 0.04 0.06 -0.04 2.39 2.77 3k6mC1 GLN 99 HE21 0.35 0.03 0.02 -0.04 6.97 7.32 3k6mC1 GLN 99 HE22 0.16 -0.01 -0.00 -0.04 7.69 7.79 3k6mC1 GLY 100 H -0.75 0.07 -0.11 -0.55 8.43 7.09 3k6mC1 GLY 100 HA2 -0.83 0.10 0.39 -0.51 4.01 3.16 3k6mC1 GLY 100 HA3 -0.61 0.06 0.27 -0.51 4.01 3.23 3k6mC1 THR 101 H -0.13 0.06 -0.38 -0.55 8.28 7.27 3k6mC1 THR 101 HA 0.13 0.10 0.42 -0.75 4.39 4.28 3k6mC1 THR 101 HB -0.03 0.11 0.01 -0.04 4.32 4.36 3k6mC1 THR 101 HG23 0.03 0.04 -0.17 -0.04 1.22 1.07 3k6mC1 LEU 102 H -0.04 0.56 -0.22 -0.55 8.37 8.13 3k6mC1 LEU 102 HA 0.05 0.11 0.36 -0.75 4.35 4.11 3k6mC1 LEU 102 HB2 -0.03 0.06 -0.13 -0.04 1.64 1.50 3k6mC1 LEU 102 HB3 0.09 0.01 0.06 -0.04 1.64 1.76 3k6mC1 LEU 102 HG 0.05 -0.03 -0.22 -0.04 1.64 1.40 3k6mC1 LEU 102 HD13 -0.03 0.02 -0.14 -0.04 0.93 0.74 3k6mC1 LEU 102 HD23 -0.28 -0.02 -0.13 -0.04 0.89 0.42 3k6mC1 ALA 103 H 0.08 0.52 -0.18 -0.55 8.40 8.27 3k6mC1 ALA 103 HA 0.14 0.01 0.30 -0.75 4.34 4.04 3k6mC1 ALA 103 HB3 -0.15 -0.03 -0.07 -0.04 1.41 1.12 3k6mC1 GLU 104 H -0.00 0.52 -0.22 -0.55 8.60 8.35 3k6mC1 GLU 104 HA -0.14 0.01 0.49 -0.75 4.29 3.89 3k6mC1 GLU 104 HB2 -0.12 -0.00 0.07 -0.04 2.09 1.99 3k6mC1 GLU 104 HB3 -0.05 0.05 0.01 -0.04 1.99 1.96 3k6mC1 GLU 104 HG2 -0.78 0.00 -0.10 -0.04 2.34 1.42 3k6mC1 GLU 104 HG3 -1.38 0.04 -0.19 -0.04 2.34 0.77 3k6mC1 ARG 105 H 0.15 0.69 -0.15 -0.55 8.46 8.60 3k6mC1 ARG 105 HA 0.34 0.06 0.42 -0.75 4.34 4.40 3k6mC1 ARG 105 HB2 0.10 0.01 0.10 -0.04 1.90 2.08 3k6mC1 ARG 105 HB3 0.10 0.04 -0.02 -0.04 1.80 1.88 3k6mC1 ARG 105 HG2 0.13 0.06 -0.24 -0.04 1.67 1.58 3k6mC1 ARG 105 HG3 0.30 -0.02 -0.04 -0.04 1.67 1.87 3k6mC1 ARG 105 HD2 -0.02 -0.13 -0.09 -0.04 3.22 2.94 3k6mC1 ARG 105 HD3 0.04 -0.10 -0.20 -0.04 3.22 2.92 3k6mC1 ILE 106 H 0.07 0.48 -0.19 -0.55 8.25 8.06 3k6mC1 ILE 106 HA 0.04 0.29 0.60 -0.75 4.18 4.35 3k6mC1 ILE 106 HB 0.07 0.00 0.11 -0.04 1.89 2.04 3k6mC1 ILE 106 HG12 0.06 0.03 -0.05 -0.04 1.49 1.49 3k6mC1 ILE 106 HG13 0.08 0.07 0.03 -0.04 1.21 1.35 3k6mC1 ILE 106 HG23 0.04 0.00 -0.28 -0.04 0.93 0.65 3k6mC1 ILE 106 HD13 0.17 -0.05 -0.12 -0.04 0.88 0.83 3k6mC1 ARG 107 H -0.02 0.53 -0.04 -0.55 8.46 8.38 3k6mC1 ARG 107 HA -0.06 0.04 0.45 -0.75 4.34 4.02 3k6mC1 ARG 107 HB2 -0.09 -0.11 0.12 -0.04 1.90 1.78 3k6mC1 ARG 107 HB3 -0.12 0.07 0.11 -0.04 1.80 1.82 3k6mC1 ARG 107 HG2 -0.07 0.07 -0.24 -0.04 1.67 1.38 3k6mC1 ARG 107 HG3 -0.08 -0.03 0.00 -0.04 1.67 1.52 3k6mC1 ARG 107 HD2 -0.09 -0.13 -0.07 -0.04 3.22 2.88 3k6mC1 ARG 107 HD3 -0.13 0.02 -0.08 -0.04 3.22 3.00 3k6mC1 ALA 108 H -0.05 0.61 -0.24 -0.55 8.40 8.18 3k6mC1 ALA 108 HA -0.02 -0.05 0.45 -0.75 4.34 3.96 3k6mC1 ALA 108 HB3 0.07 0.07 0.05 -0.04 1.41 1.56 3k6mC1 GLY 109 H 0.03 0.40 -0.27 -0.55 8.43 8.04 3k6mC1 GLY 109 HA2 0.03 -0.04 0.29 -0.51 4.01 3.78 3k6mC1 GLY 109 HA3 0.03 0.29 0.27 -0.51 4.01 4.09 3k6mC1 GLY 110 H -0.01 0.34 -0.40 -0.55 8.43 7.82 3k6mC1 GLY 110 HA2 0.02 0.28 0.83 -0.51 4.01 4.63 3k6mC1 GLY 110 HA3 -0.02 -0.09 0.16 -0.51 4.01 3.55 3k6mC1 ALA 111 H 0.01 0.37 -0.24 -0.55 8.40 7.99 3k6mC1 ALA 111 HA 0.04 0.14 0.63 -0.75 4.34 4.39 3k6mC1 ALA 111 HB3 -0.01 -0.03 0.05 -0.04 1.41 1.38 3k6mC1 GLY 112 H 0.03 0.23 -0.20 -0.55 8.43 7.94 3k6mC1 GLY 112 HA2 0.02 0.01 0.21 -0.51 4.01 3.75 3k6mC1 GLY 112 HA3 0.02 0.04 0.35 -0.51 4.01 3.91 3k6mC1 VAL 113 H 0.02 0.41 -0.16 -0.55 8.24 7.96 3k6mC1 VAL 113 HA 0.03 0.19 0.82 -0.75 4.13 4.41 3k6mC1 VAL 113 HB 0.03 -0.07 0.12 -0.04 2.12 2.16 3k6mC1 VAL 113 HG13 0.09 -0.05 -0.13 -0.04 0.97 0.84 3k6mC1 VAL 113 HG23 0.00 0.03 -0.13 -0.04 0.95 0.82 3k6mC1 PRO 114 HA 0.03 0.12 0.56 -0.51 4.44 4.64 3k6mC1 PRO 114 HB2 0.01 -0.01 -0.00 -0.04 2.28 2.23 3k6mC1 PRO 114 HB3 0.01 0.04 0.05 -0.04 2.02 2.09 3k6mC1 PRO 114 HG2 0.01 0.01 0.06 -0.04 2.03 2.07 3k6mC1 PRO 114 HG3 0.02 0.03 0.06 -0.04 2.03 2.10 3k6mC1 PRO 114 HD2 0.03 0.08 0.27 -0.04 3.68 4.02 3k6mC1 PRO 114 HD3 0.02 0.29 0.16 -0.04 3.65 4.08 3k6mC1 ALA 115 H 0.05 0.28 -0.09 -0.55 8.40 8.10 3k6mC1 ALA 115 HA -0.06 0.26 0.71 -0.75 4.34 4.49 3k6mC1 ALA 115 HB3 -0.12 0.00 -0.11 -0.04 1.41 1.13 3k6mC1 PHE 116 H -0.56 0.64 0.34 -0.55 8.34 8.21 3k6mC1 PHE 116 HA -0.08 0.12 0.63 -0.75 4.62 4.53 3k6mC1 PHE 116 HB2 -0.04 -0.01 0.07 -0.04 3.15 3.13 3k6mC1 PHE 116 HB3 -0.04 0.08 -0.22 -0.04 3.06 2.84 3k6mC1 PHE 116 HD2 -0.02 0.10 -0.37 -0.04 7.28 6.94 3k6mC1 PHE 116 HE2 -0.00 -0.03 -0.32 -0.04 7.38 6.98 3k6mC1 PHE 116 HZ -0.01 -0.04 -0.19 -0.04 7.32 7.03 3k6mC1 TYR 117 H 0.22 0.16 0.14 -0.55 8.29 8.26 3k6mC1 TYR 117 HA -0.03 0.40 0.94 -0.75 4.56 5.12 3k6mC1 TYR 117 HB2 -0.23 -0.02 0.03 -0.04 3.06 2.80 3k6mC1 TYR 117 HB3 0.00 -0.03 -0.14 -0.04 2.98 2.77 3k6mC1 TYR 117 HD2 0.08 -0.02 -0.34 -0.04 7.15 6.82 3k6mC1 TYR 117 HE2 0.15 0.04 -0.22 -0.04 6.85 6.78 3k6mC1 THR 118 H 0.28 0.67 0.36 -0.55 8.28 9.04 3k6mC1 THR 118 HA 0.35 0.17 0.79 -0.75 4.39 4.95 3k6mC1 THR 118 HB 0.39 0.12 -0.15 -0.04 4.32 4.64 3k6mC1 THR 118 HG23 0.10 0.05 -0.07 -0.04 1.22 1.26 3k6mC1 SER 119 H 0.31 0.19 0.18 -0.55 8.46 8.61 3k6mC1 SER 119 HA -0.02 0.00 0.82 -0.75 4.49 4.54 3k6mC1 SER 119 HB2 -0.18 0.00 0.22 -0.04 3.95 3.96 3k6mC1 SER 119 HB3 -0.34 0.04 0.17 -0.04 3.93 3.76 3k6mC1 THR 120 H 0.13 0.02 -0.16 -0.55 8.28 7.73 3k6mC1 THR 120 HA 0.07 0.13 0.27 -0.75 4.39 4.10 3k6mC1 THR 120 HB 0.08 0.04 0.01 -0.04 4.32 4.41 3k6mC1 THR 120 HG23 -0.00 -0.04 -0.31 -0.04 1.22 0.83 3k6mC1 GLY 121 H 0.04 0.22 0.18 -0.55 8.43 8.32 3k6mC1 GLY 121 HA2 -0.02 -0.03 0.32 -0.51 4.01 3.78 3k6mC1 GLY 121 HA3 -0.00 0.12 0.55 -0.51 4.01 4.18 3k6mC1 TYR 122 H 0.17 0.51 -0.16 -0.55 8.29 8.25 3k6mC1 TYR 122 HA 0.01 0.01 0.45 -0.75 4.56 4.27 3k6mC1 TYR 122 HB2 0.01 0.06 0.04 -0.04 3.06 3.12 3k6mC1 TYR 122 HB3 -0.02 0.04 0.14 -0.04 2.98 3.09 3k6mC1 TYR 122 HD2 0.00 0.02 -0.14 -0.04 7.15 6.99 3k6mC1 TYR 122 HE2 -0.10 0.02 -0.05 -0.04 6.85 6.68 3k6mC1 GLY 123 H -0.67 0.16 0.19 -0.55 8.43 7.57 3k6mC1 GLY 123 HA2 -0.41 0.04 0.33 -0.51 4.01 3.47 3k6mC1 GLY 123 HA3 -0.24 0.07 0.43 -0.51 4.01 3.77 3k6mC1 THR 124 H -0.09 0.33 -0.21 -0.55 8.28 7.77 3k6mC1 THR 124 HA 0.05 0.21 0.84 -0.75 4.39 4.74 3k6mC1 THR 124 HB 0.13 0.07 0.15 -0.04 4.32 4.63 3k6mC1 THR 124 HG23 0.04 0.04 -0.43 -0.04 1.22 0.83 3k6mC1 LEU 125 H 0.20 0.18 0.12 -0.55 8.37 8.32 3k6mC1 LEU 125 HA 0.07 0.24 0.32 -0.75 4.35 4.22 3k6mC1 LEU 125 HB2 0.37 -0.07 0.05 -0.04 1.64 1.94 3k6mC1 LEU 125 HB3 0.18 -0.01 -0.14 -0.04 1.64 1.63 3k6mC1 LEU 125 HG 0.19 -0.10 0.04 -0.04 1.64 1.73 3k6mC1 LEU 125 HD13 0.19 0.00 -0.02 -0.04 0.93 1.06 3k6mC1 LEU 125 HD23 0.06 0.03 -0.12 -0.04 0.89 0.82 3k6mC1 VAL 126 H -0.00 0.00 -0.34 -0.55 8.24 7.35 3k6mC1 VAL 126 HA -0.03 0.11 0.40 -0.75 4.13 3.86 3k6mC1 VAL 126 HB -0.05 -0.01 0.12 -0.04 2.12 2.14 3k6mC1 VAL 126 HG13 -0.05 0.02 -0.10 -0.04 0.97 0.80 3k6mC1 VAL 126 HG23 -0.19 -0.01 0.03 -0.04 0.95 0.73 3k6mC1 GLN 127 H -0.02 0.19 -0.09 -0.55 8.47 8.01 3k6mC1 GLN 127 HA 0.02 0.08 0.51 -0.75 4.36 4.21 3k6mC1 GLN 127 HB2 0.03 -0.02 -0.11 -0.04 2.15 2.02 3k6mC1 GLN 127 HB3 -0.09 -0.08 0.23 -0.04 2.02 2.04 3k6mC1 GLN 127 HG2 0.04 0.20 -0.02 -0.04 2.40 2.57 3k6mC1 GLN 127 HG3 0.13 -0.04 -0.06 -0.04 2.39 2.39 3k6mC1 GLN 127 HE21 -0.09 -0.01 -0.08 -0.04 6.97 6.75 3k6mC1 GLN 127 HE22 -0.00 0.10 -0.14 -0.04 7.69 7.61 3k6mC1 GLU 128 H -0.03 0.53 -0.00 -0.55 8.60 8.55 3k6mC1 GLU 128 HA -0.02 0.04 0.37 -0.75 4.29 3.93 3k6mC1 GLU 128 HB2 -0.00 0.06 -0.08 -0.04 2.09 2.03 3k6mC1 GLU 128 HB3 -0.02 -0.01 -0.00 -0.04 1.99 1.92 3k6mC1 GLU 128 HG2 -0.10 -0.14 -0.03 -0.04 2.34 2.03 3k6mC1 GLU 128 HG3 -0.05 -0.05 -0.26 -0.04 2.34 1.94 3k6mC1 GLY 129 H 0.01 0.25 -0.55 -0.55 8.43 7.59 3k6mC1 GLY 129 HA2 0.01 0.03 -0.13 -0.51 4.01 3.41 3k6mC1 GLY 129 HA3 0.01 0.14 0.43 -0.51 4.01 4.08 3k6mC1 GLY 130 H 0.02 0.61 0.10 -0.55 8.43 8.61 3k6mC1 GLY 130 HA2 0.01 0.01 0.27 -0.51 4.01 3.80 3k6mC1 GLY 130 HA3 0.02 0.14 0.50 -0.51 4.01 4.16 3k6mC1 SER 131 H 0.06 0.12 -0.22 -0.55 8.46 7.87 3k6mC1 SER 131 HA 0.17 0.10 0.58 -0.75 4.49 4.58 3k6mC1 SER 131 HB2 0.12 0.03 -0.09 -0.04 3.95 3.97 3k6mC1 SER 131 HB3 0.08 -0.04 0.04 -0.04 3.93 3.97 3k6mC1 PRO 132 HA -0.10 0.08 0.63 -0.51 4.44 4.54 3k6mC1 PRO 132 HB2 -0.36 0.05 -0.04 -0.04 2.28 1.90 3k6mC1 PRO 132 HB3 -0.22 0.05 0.08 -0.04 2.02 1.89 3k6mC1 PRO 132 HG2 0.26 -0.02 0.13 -0.04 2.03 2.36 3k6mC1 PRO 132 HG3 0.11 -0.00 0.09 -0.04 2.03 2.19 3k6mC1 PRO 132 HD2 0.22 -0.04 0.23 -0.04 3.68 4.06 3k6mC1 PRO 132 HD3 0.08 0.24 0.26 -0.04 3.65 4.18 3k6mC1 ILE 133 H -0.05 0.52 0.42 -0.55 8.25 8.59 3k6mC1 ILE 133 HA 0.12 0.43 0.94 -0.75 4.18 4.92 3k6mC1 ILE 133 HB 0.00 -0.00 -0.14 -0.04 1.89 1.71 3k6mC1 ILE 133 HG12 0.03 0.04 -0.09 -0.04 1.49 1.43 3k6mC1 ILE 133 HG13 0.03 0.03 -0.23 -0.04 1.21 1.00 3k6mC1 ILE 133 HG23 0.03 -0.02 -0.23 -0.04 0.93 0.67 3k6mC1 ILE 133 HD13 0.01 -0.00 -0.24 -0.04 0.88 0.61 3k6mC1 LYS 134 H -0.11 0.46 0.37 -0.55 8.42 8.59 3k6mC1 LYS 134 HA 0.01 0.28 0.85 -0.75 4.32 4.71 3k6mC1 LYS 134 HB2 0.01 -0.03 -0.17 -0.04 1.87 1.64 3k6mC1 LYS 134 HB3 -0.03 -0.16 0.02 -0.04 1.79 1.58 3k6mC1 LYS 134 HG2 0.01 0.26 -0.07 -0.04 1.46 1.61 3k6mC1 LYS 134 HG3 0.03 0.07 -0.17 -0.04 1.46 1.35 3k6mC1 LYS 134 HD2 0.01 -0.06 -0.12 -0.04 1.69 1.48 3k6mC1 LYS 134 HD3 -0.00 -0.11 -0.13 -0.04 1.68 1.40 3k6mC1 LYS 134 HE2 0.01 0.16 0.02 -0.04 2.99 3.14 3k6mC1 LYS 134 HE3 0.02 0.06 -0.18 -0.04 2.99 2.85 3k6mC1 TYR 135 H 0.02 0.29 0.17 -0.55 8.29 8.22 3k6mC1 TYR 135 HA -0.07 0.02 0.89 -0.75 4.56 4.64 3k6mC1 TYR 135 HB2 -0.17 0.04 0.04 -0.04 3.06 2.93 3k6mC1 TYR 135 HB3 -0.11 0.18 0.04 -0.04 2.98 3.04 3k6mC1 TYR 135 HD2 -0.34 0.22 -0.14 -0.04 7.15 6.85 3k6mC1 TYR 135 HE2 -0.52 -0.03 -0.09 -0.04 6.85 6.16 3k6mC1 ASN 136 H 0.07 0.56 0.14 -0.55 8.53 8.75 3k6mC1 ASN 136 HA 0.02 0.20 0.78 -0.75 4.76 5.00 3k6mC1 ASN 136 HB2 0.03 -0.08 -0.04 -0.04 2.88 2.75 3k6mC1 ASN 136 HB3 0.01 -0.11 0.07 -0.04 2.79 2.72 3k6mC1 ASN 136 HD21 -0.00 0.14 -0.26 -0.04 7.03 6.87 3k6mC1 ASN 136 HD22 0.01 -0.13 -0.39 -0.04 7.74 7.19 3k6mC1 LYS 137 H 0.00 0.12 0.14 -0.55 8.42 8.13 3k6mC1 LYS 137 HA -0.02 0.39 0.40 -0.75 4.32 4.35 3k6mC1 LYS 137 HB2 -0.01 0.03 0.16 -0.04 1.87 2.02 3k6mC1 LYS 137 HB3 -0.01 -0.08 0.10 -0.04 1.79 1.75 3k6mC1 LYS 137 HG2 -0.02 -0.02 0.02 -0.04 1.46 1.39 3k6mC1 LYS 137 HG3 -0.02 0.11 0.11 -0.04 1.46 1.62 3k6mC1 LYS 137 HD2 -0.01 0.02 0.03 -0.04 1.69 1.69 3k6mC1 LYS 137 HD3 -0.01 -0.04 0.01 -0.04 1.68 1.59 3k6mC1 LYS 137 HE2 -0.02 0.02 0.02 -0.04 2.99 2.97 3k6mC1 LYS 137 HE3 -0.01 -0.02 0.01 -0.04 2.99 2.92 3k6mC1 ASP 138 H -0.00 -0.02 -0.27 -0.55 8.40 7.56 3k6mC1 ASP 138 HA -0.03 0.19 0.58 -0.75 4.63 4.62 3k6mC1 ASP 138 HB2 -0.01 0.04 0.13 -0.04 2.71 2.82 3k6mC1 ASP 138 HB3 -0.01 -0.00 0.05 -0.04 2.70 2.70 3k6mC1 GLY 139 H -0.00 0.55 -0.41 -0.55 8.43 8.01 3k6mC1 GLY 139 HA2 -0.10 0.13 0.32 -0.51 4.01 3.84 3k6mC1 GLY 139 HA3 -0.07 0.10 0.61 -0.51 4.01 4.14 3k6mC1 SER 140 H 0.03 -0.07 -0.36 -0.55 8.46 7.52 3k6mC1 SER 140 HA 0.05 0.15 0.61 -0.75 4.49 4.55 3k6mC1 SER 140 HB2 0.01 0.01 0.10 -0.04 3.95 4.03 3k6mC1 SER 140 HB3 0.01 0.04 0.02 -0.04 3.93 3.96 3k6mC1 ILE 141 H 0.01 0.14 0.13 -0.55 8.25 7.98 3k6mC1 ILE 141 HA -0.14 0.14 0.65 -0.75 4.18 4.07 3k6mC1 ILE 141 HB -0.04 -0.01 0.07 -0.04 1.89 1.86 3k6mC1 ILE 141 HG12 -0.00 -0.05 0.02 -0.04 1.49 1.42 3k6mC1 ILE 141 HG13 -0.05 0.02 -0.01 -0.04 1.21 1.13 3k6mC1 ILE 141 HG23 -0.12 0.01 -0.33 -0.04 0.93 0.44 3k6mC1 ILE 141 HD13 -0.27 0.01 -0.08 -0.04 0.88 0.51 3k6mC1 ALA 142 H -0.11 0.54 0.33 -0.55 8.40 8.62 3k6mC1 ALA 142 HA -0.02 0.13 0.80 -0.75 4.34 4.48 3k6mC1 ALA 142 HB3 -0.02 -0.01 -0.19 -0.04 1.41 1.15 3k6mC1 ILE 143 H -0.09 0.47 0.27 -0.55 8.25 8.35 3k6mC1 ILE 143 HA -0.03 0.20 0.84 -0.75 4.18 4.44 3k6mC1 ILE 143 HB -0.02 -0.14 0.09 -0.04 1.89 1.77 3k6mC1 ILE 143 HG12 -0.01 0.11 -0.11 -0.04 1.49 1.44 3k6mC1 ILE 143 HG13 -0.02 -0.10 -0.46 -0.04 1.21 0.60 3k6mC1 ILE 143 HG23 -0.01 0.02 -0.09 -0.04 0.93 0.80 3k6mC1 ILE 143 HD13 -0.00 0.01 -0.10 -0.04 0.88 0.75 3k6mC1 ALA 144 H -0.02 0.26 0.13 -0.55 8.40 8.22 3k6mC1 ALA 144 HA -0.03 0.16 0.83 -0.75 4.34 4.55 3k6mC1 ALA 144 HB3 -0.02 -0.02 -0.04 -0.04 1.41 1.29 3k6mC1 SER 145 H 0.02 0.46 0.18 -0.55 8.46 8.58 3k6mC1 SER 145 HA 0.00 0.09 0.46 -0.75 4.49 4.30 3k6mC1 SER 145 HB2 0.01 0.10 0.13 -0.04 3.95 4.15 3k6mC1 SER 145 HB3 0.03 0.04 0.11 -0.04 3.93 4.07 3k6mC1 LYS 146 H -0.00 0.11 0.20 -0.55 8.42 8.18 3k6mC1 LYS 146 HA 0.00 0.17 0.86 -0.75 4.32 4.60 3k6mC1 LYS 146 HB2 -0.00 -0.02 0.10 -0.04 1.87 1.91 3k6mC1 LYS 146 HB3 -0.00 0.09 0.12 -0.04 1.79 1.96 3k6mC1 LYS 146 HG2 -0.00 -0.06 0.06 -0.04 1.46 1.42 3k6mC1 LYS 146 HG3 -0.00 -0.00 0.05 -0.04 1.46 1.46 3k6mC1 LYS 146 HD2 -0.00 0.06 -0.01 -0.04 1.69 1.70 3k6mC1 LYS 146 HD3 -0.00 0.01 -0.03 -0.04 1.68 1.62 3k6mC1 LYS 146 HE2 -0.00 -0.03 0.02 -0.04 2.99 2.94 3k6mC1 LYS 146 HE3 0.00 0.03 0.05 -0.04 2.99 3.03 3k6mC1 PRO 147 HA 0.01 0.10 0.21 -0.51 4.44 4.25 3k6mC1 PRO 147 HB2 0.01 -0.08 -0.10 -0.04 2.28 2.08 3k6mC1 PRO 147 HB3 0.01 0.13 0.02 -0.04 2.02 2.14 3k6mC1 PRO 147 HG2 0.01 -0.04 0.06 -0.04 2.03 2.02 3k6mC1 PRO 147 HG3 0.00 0.22 0.06 -0.04 2.03 2.28 3k6mC1 PRO 147 HD2 0.00 0.05 0.19 -0.04 3.68 3.88 3k6mC1 PRO 147 HD3 0.00 0.11 0.25 -0.04 3.65 3.98 3k6mC1 ARG 148 H 0.01 0.44 0.34 -0.55 8.46 8.70 3k6mC1 ARG 148 HA -0.00 0.11 0.87 -0.75 4.34 4.56 3k6mC1 ARG 148 HB2 0.03 -0.13 0.11 -0.04 1.90 1.87 3k6mC1 ARG 148 HB3 0.00 0.06 0.05 -0.04 1.80 1.87 3k6mC1 ARG 148 HG2 -0.01 0.26 0.05 -0.04 1.67 1.92 3k6mC1 ARG 148 HG3 -0.02 -0.15 -0.10 -0.04 1.67 1.36 3k6mC1 ARG 148 HD2 -0.06 0.18 0.13 -0.04 3.22 3.43 3k6mC1 ARG 148 HD3 -0.03 0.07 -0.02 -0.04 3.22 3.20 3k6mC1 GLU 149 H 0.02 0.15 0.17 -0.55 8.60 8.39 3k6mC1 GLU 149 HA 0.07 0.07 0.38 -0.75 4.29 4.06 3k6mC1 GLU 149 HB2 0.07 -0.08 0.10 -0.04 2.09 2.13 3k6mC1 GLU 149 HB3 0.10 0.06 -0.03 -0.04 1.99 2.09 3k6mC1 GLU 149 HG2 0.04 0.03 0.01 -0.04 2.34 2.38 3k6mC1 GLU 149 HG3 0.02 0.03 0.08 -0.04 2.34 2.42 3k6mC1 VAL 150 H 0.12 0.15 0.23 -0.55 8.24 8.20 3k6mC1 VAL 150 HA 0.25 0.35 0.98 -0.75 4.13 4.96 3k6mC1 VAL 150 HB 0.17 -0.04 0.13 -0.04 2.12 2.34 3k6mC1 VAL 150 HG13 0.27 -0.02 -0.13 -0.04 0.97 1.06 3k6mC1 VAL 150 HG23 0.24 0.02 -0.04 -0.04 0.95 1.14 3k6mC1 ARG 151 H 0.22 0.66 0.32 -0.55 8.46 9.11 3k6mC1 ARG 151 HA -0.05 0.11 0.59 -0.75 4.34 4.24 3k6mC1 ARG 151 HB2 0.01 0.06 -0.13 -0.04 1.90 1.80 3k6mC1 ARG 151 HB3 -0.36 -0.05 -0.07 -0.04 1.80 1.28 3k6mC1 ARG 151 HG2 -1.06 0.08 -0.22 -0.04 1.67 0.42 3k6mC1 ARG 151 HG3 -0.35 -0.04 0.10 -0.04 1.67 1.34 3k6mC1 ARG 151 HD2 -0.10 0.01 -0.03 -0.04 3.22 3.06 3k6mC1 ARG 151 HD3 -0.30 -0.04 -0.10 -0.04 3.22 2.75 3k6mC1 GLU 152 H -0.23 0.16 0.12 -0.55 8.60 8.11 3k6mC1 GLU 152 HA -0.14 0.31 0.93 -0.75 4.29 4.64 3k6mC1 GLU 152 HB2 -0.35 -0.00 -0.04 -0.04 2.09 1.66 3k6mC1 GLU 152 HB3 -0.23 -0.02 0.07 -0.04 1.99 1.78 3k6mC1 GLU 152 HG2 -0.17 -0.18 -0.30 -0.04 2.34 1.65 3k6mC1 GLU 152 HG3 -0.39 0.09 -0.38 -0.04 2.34 1.63 3k6mC1 PHE 153 H 0.29 0.72 0.28 -0.55 8.34 9.08 3k6mC1 PHE 153 HA -0.08 0.13 0.71 -0.75 4.62 4.63 3k6mC1 PHE 153 HB2 -0.25 0.01 0.02 -0.04 3.15 2.89 3k6mC1 PHE 153 HB3 -0.16 0.01 -0.03 -0.04 3.06 2.84 3k6mC1 PHE 153 HD2 -0.25 0.00 -0.13 -0.04 7.28 6.86 3k6mC1 PHE 153 HE2 -0.80 -0.01 -0.12 -0.04 7.38 6.42 3k6mC1 PHE 153 HZ -0.44 0.01 -0.10 -0.04 7.32 6.75 3k6mC1 ASN 154 H 0.05 0.19 0.09 -0.55 8.53 8.31 3k6mC1 ASN 154 HA 0.03 0.05 0.33 -0.75 4.76 4.42 3k6mC1 ASN 154 HB2 0.13 0.14 -0.14 -0.04 2.88 2.96 3k6mC1 ASN 154 HB3 0.05 0.03 0.14 -0.04 2.79 2.97 3k6mC1 ASN 154 HD21 -0.03 0.02 -0.07 -0.04 7.03 6.92 3k6mC1 ASN 154 HD22 0.02 0.05 -0.16 -0.04 7.74 7.60 3k6mC1 GLY 155 H -0.02 -0.01 -0.36 -0.55 8.43 7.50 3k6mC1 GLY 155 HA2 -0.07 -0.03 0.20 -0.51 4.01 3.61 3k6mC1 GLY 155 HA3 -0.03 0.10 0.39 -0.51 4.01 3.96 3k6mC1 GLN 156 H 0.01 0.40 -0.22 -0.55 8.47 8.11 3k6mC1 GLN 156 HA -0.16 0.15 0.87 -0.75 4.36 4.47 3k6mC1 GLN 156 HB2 -0.05 0.05 -0.09 -0.04 2.15 2.02 3k6mC1 GLN 156 HB3 0.09 0.10 0.02 -0.04 2.02 2.19 3k6mC1 GLN 156 HG2 -0.86 0.08 -0.17 -0.04 2.40 1.42 3k6mC1 GLN 156 HG3 -0.27 -0.03 0.11 -0.04 2.39 2.16 3k6mC1 GLN 156 HE21 -0.11 -0.03 0.10 -0.04 6.97 6.90 3k6mC1 GLN 156 HE22 -0.35 0.03 0.10 -0.04 7.69 7.42 3k6mC1 HIS 157 H -0.28 0.17 0.18 -0.55 8.41 7.92 3k6mC1 HIS 157 HA -0.15 0.13 0.76 -0.75 4.63 4.61 3k6mC1 HIS 157 HB2 -1.19 -0.02 0.14 -0.04 3.26 2.15 3k6mC1 HIS 157 HB3 -0.81 0.04 -0.02 -0.04 3.20 2.36 3k6mC1 HIS 157 HD2 -0.21 0.03 0.02 -0.04 6.97 6.76 3k6mC1 HIS 157 HE1 -0.01 0.01 -0.08 -0.04 7.75 7.63 3k6mC1 PHE 158 H 0.20 0.64 0.38 -0.55 8.34 9.00 3k6mC1 PHE 158 HA 0.10 0.09 0.76 -0.75 4.62 4.82 3k6mC1 PHE 158 HB2 0.19 0.08 -0.04 -0.04 3.15 3.34 3k6mC1 PHE 158 HB3 0.24 -0.08 -0.13 -0.04 3.06 3.05 3k6mC1 PHE 158 HD2 0.12 -0.08 -0.25 -0.04 7.28 7.03 3k6mC1 PHE 158 HE2 0.04 0.09 -0.03 -0.04 7.38 7.44 3k6mC1 PHE 158 HZ 0.01 0.04 -0.06 -0.04 7.32 7.26 3k6mC1 ILE 159 H 0.34 0.68 0.32 -0.55 8.25 9.03 3k6mC1 ILE 159 HA 0.29 0.40 1.13 -0.75 4.18 5.24 3k6mC1 ILE 159 HB 0.10 0.08 -0.10 -0.04 1.89 1.93 3k6mC1 ILE 159 HG12 0.14 0.09 -0.04 -0.04 1.49 1.63 3k6mC1 ILE 159 HG13 0.04 -0.05 -0.27 -0.04 1.21 0.89 3k6mC1 ILE 159 HG23 0.25 -0.03 -0.26 -0.04 0.93 0.84 3k6mC1 ILE 159 HD13 0.04 -0.01 -0.20 -0.04 0.88 0.67 3k6mC1 LEU 160 H 0.06 0.62 0.21 -0.55 8.37 8.71 3k6mC1 LEU 160 HA -0.62 0.14 0.62 -0.75 4.35 3.74 3k6mC1 LEU 160 HB2 -0.28 -0.00 0.01 -0.04 1.64 1.32 3k6mC1 LEU 160 HB3 -0.14 -0.08 0.15 -0.04 1.64 1.52 3k6mC1 LEU 160 HG -0.31 0.05 -0.25 -0.04 1.64 1.08 3k6mC1 LEU 160 HD13 -0.78 0.01 -0.20 -0.04 0.93 -0.07 3k6mC1 LEU 160 HD23 -0.10 -0.01 -0.08 -0.04 0.89 0.66 3k6mC1 GLU 161 H -0.64 0.71 0.41 -0.55 8.60 8.54 3k6mC1 GLU 161 HA -0.23 0.16 0.90 -0.75 4.29 4.36 3k6mC1 GLU 161 HB2 -1.07 -0.01 0.04 -0.04 2.09 1.00 3k6mC1 GLU 161 HB3 -0.31 0.04 -0.03 -0.04 1.99 1.65 3k6mC1 GLU 161 HG2 -0.18 0.03 -0.46 -0.04 2.34 1.68 3k6mC1 GLU 161 HG3 -0.14 -0.12 -0.11 -0.04 2.34 1.93 3k6mC1 GLU 162 H -0.13 0.13 0.14 -0.55 8.60 8.19 3k6mC1 GLU 162 HA -0.10 0.21 1.03 -0.75 4.29 4.68 3k6mC1 GLU 162 HB2 -0.04 -0.04 0.10 -0.04 2.09 2.06 3k6mC1 GLU 162 HB3 -0.03 0.14 0.16 -0.04 1.99 2.22 3k6mC1 GLU 162 HG2 -0.09 0.02 -0.10 -0.04 2.34 2.14 3k6mC1 GLU 162 HG3 -0.09 -0.07 -0.08 -0.04 2.34 2.05 3k6mC1 ALA 163 H 0.03 0.59 0.11 -0.55 8.40 8.58 3k6mC1 ALA 163 HA 0.11 0.03 0.53 -0.75 4.34 4.25 3k6mC1 ALA 163 HB3 0.05 0.07 -0.01 -0.04 1.41 1.47 3k6mC1 ILE 164 H 0.06 0.49 0.06 -0.55 8.25 8.30 3k6mC1 ILE 164 HA 0.02 0.13 0.75 -0.75 4.18 4.33 3k6mC1 ILE 164 HB 0.04 -0.09 -0.15 -0.04 1.89 1.65 3k6mC1 ILE 164 HG12 0.01 0.04 -0.04 -0.04 1.49 1.47 3k6mC1 ILE 164 HG13 0.03 0.12 -0.24 -0.04 1.21 1.08 3k6mC1 ILE 164 HG23 0.02 -0.01 -0.24 -0.04 0.93 0.66 3k6mC1 ILE 164 HD13 0.02 -0.03 -0.08 -0.04 0.88 0.74 3k6mC1 ARG 165 H 0.02 0.20 0.12 -0.55 8.46 8.25 3k6mC1 ARG 165 HA 0.02 0.33 0.91 -0.75 4.34 4.85 3k6mC1 ARG 165 HB2 0.02 -0.09 0.01 -0.04 1.90 1.80 3k6mC1 ARG 165 HB3 0.02 0.04 0.01 -0.04 1.80 1.83 3k6mC1 ARG 165 HG2 0.02 0.16 0.09 -0.04 1.67 1.90 3k6mC1 ARG 165 HG3 0.02 -0.15 -0.23 -0.04 1.67 1.28 3k6mC1 ARG 165 HD2 0.02 0.28 0.06 -0.04 3.22 3.55 3k6mC1 ARG 165 HD3 0.02 -0.12 -0.04 -0.04 3.22 3.03 3k6mC1 GLY 166 H 0.02 0.63 0.37 -0.55 8.43 8.90 3k6mC1 GLY 166 HA2 0.04 0.14 0.98 -0.51 4.01 4.66 3k6mC1 GLY 166 HA3 0.05 0.01 0.28 -0.51 4.01 3.84 3k6mC1 ASP 167 H 0.08 0.36 0.39 -0.55 8.40 8.69 3k6mC1 ASP 167 HA -0.03 0.07 0.83 -0.75 4.63 4.75 3k6mC1 ASP 167 HB2 0.27 0.08 0.25 -0.04 2.71 3.26 3k6mC1 ASP 167 HB3 0.18 0.02 0.12 -0.04 2.70 2.98 3k6mC1 PHE 168 H 0.22 0.42 0.32 -0.55 8.34 8.75 3k6mC1 PHE 168 HA 0.04 0.35 0.87 -0.75 4.62 5.12 3k6mC1 PHE 168 HB2 0.01 -0.06 0.01 -0.04 3.15 3.07 3k6mC1 PHE 168 HB3 0.00 0.00 0.01 -0.04 3.06 3.03 3k6mC1 PHE 168 HD2 0.01 -0.06 -0.15 -0.04 7.28 7.04 3k6mC1 PHE 168 HE2 0.00 0.02 -0.07 -0.04 7.38 7.29 3k6mC1 PHE 168 HZ 0.01 0.05 -0.21 -0.04 7.32 7.12 3k6mC1 ALA 169 H 0.13 0.54 0.38 -0.55 8.40 8.89 3k6mC1 ALA 169 HA 0.08 0.22 0.86 -0.75 4.34 4.74 3k6mC1 ALA 169 HB3 0.04 -0.02 -0.07 -0.04 1.41 1.31 3k6mC1 LEU 170 H 0.05 0.82 0.32 -0.55 8.37 9.01 3k6mC1 LEU 170 HA 0.05 0.27 1.04 -0.75 4.35 4.95 3k6mC1 LEU 170 HB2 0.02 -0.05 0.25 -0.04 1.64 1.82 3k6mC1 LEU 170 HB3 0.01 -0.11 0.03 -0.04 1.64 1.53 3k6mC1 LEU 170 HG 0.03 0.06 -0.15 -0.04 1.64 1.54 3k6mC1 LEU 170 HD13 -0.03 -0.02 -0.16 -0.04 0.93 0.68 3k6mC1 LEU 170 HD23 0.01 0.04 -0.16 -0.04 0.89 0.74 3k6mC1 VAL 171 H 0.05 0.69 0.41 -0.55 8.24 8.84 3k6mC1 VAL 171 HA 0.09 0.02 0.87 -0.75 4.13 4.36 3k6mC1 VAL 171 HB 0.07 0.06 0.02 -0.04 2.12 2.23 3k6mC1 VAL 171 HG13 0.20 -0.02 -0.22 -0.04 0.97 0.89 3k6mC1 VAL 171 HG23 0.06 -0.00 -0.31 -0.04 0.95 0.65 3k6mC1 LYS 172 H 0.14 0.23 0.20 -0.55 8.42 8.43 3k6mC1 LYS 172 HA 0.13 0.20 0.93 -0.75 4.32 4.83 3k6mC1 LYS 172 HB2 0.12 -0.14 -0.53 -0.04 1.87 1.28 3k6mC1 LYS 172 HB3 0.13 0.20 -0.22 -0.04 1.79 1.86 3k6mC1 LYS 172 HG2 0.10 -0.13 -0.22 -0.04 1.46 1.17 3k6mC1 LYS 172 HG3 0.11 0.01 -0.37 -0.04 1.46 1.18 3k6mC1 LYS 172 HD2 0.12 0.22 0.10 -0.04 1.69 2.09 3k6mC1 LYS 172 HD3 0.25 -0.14 -0.00 -0.04 1.68 1.75 3k6mC1 LYS 172 HE2 -0.08 0.13 -0.05 -0.04 2.99 2.96 3k6mC1 LYS 172 HE3 -0.47 -0.03 -0.04 -0.04 2.99 2.40 3k6mC1 ALA 173 H 0.08 0.75 0.36 -0.55 8.40 9.04 3k6mC1 ALA 173 HA 0.16 0.09 0.63 -0.75 4.34 4.46 3k6mC1 ALA 173 HB3 -0.30 0.06 -0.09 -0.04 1.41 1.05 3k6mC1 TRP 174 H 0.06 0.60 0.43 -0.55 7.97 8.52 3k6mC1 TRP 174 HA -0.10 0.05 0.68 -0.75 4.62 4.50 3k6mC1 TRP 174 HB2 -0.04 -0.16 0.10 -0.04 3.23 3.09 3k6mC1 TRP 174 HB3 -0.08 0.08 0.01 -0.04 3.23 3.19 3k6mC1 TRP 174 HD1 -0.07 -0.05 0.04 -0.04 7.22 7.09 3k6mC1 TRP 174 HE1 -0.02 0.04 -0.06 -0.04 10.20 10.12 3k6mC1 TRP 174 HE3 -0.01 -0.01 -0.36 -0.04 7.59 7.18 3k6mC1 TRP 174 HZ2 0.01 0.04 -0.05 -0.04 7.44 7.39 3k6mC1 TRP 174 HZ3 0.02 0.06 -0.05 -0.04 7.13 7.11 3k6mC1 TRP 174 HH2 0.02 0.05 -0.04 -0.04 7.19 7.18 3k6mC1 LYS 175 H -0.07 0.28 0.23 -0.55 8.42 8.31 3k6mC1 LYS 175 HA -0.11 0.30 1.04 -0.75 4.32 4.79 3k6mC1 LYS 175 HB2 -0.16 -0.07 -0.04 -0.04 1.87 1.55 3k6mC1 LYS 175 HB3 -0.08 0.08 -0.12 -0.04 1.79 1.63 3k6mC1 LYS 175 HG2 -0.57 0.04 -0.14 -0.04 1.46 0.74 3k6mC1 LYS 175 HG3 -1.65 -0.14 -0.34 -0.04 1.46 -0.72 3k6mC1 LYS 175 HD2 -0.96 -0.02 -0.12 -0.04 1.69 0.55 3k6mC1 LYS 175 HD3 -0.36 0.02 -0.15 -0.04 1.68 1.15 3k6mC1 LYS 175 HE2 -0.45 0.02 -0.11 -0.04 2.99 2.41 3k6mC1 LYS 175 HE3 -1.46 -0.03 -0.11 -0.04 2.99 1.34 3k6mC1 ALA 176 H 0.02 0.58 0.35 -0.55 8.40 8.81 3k6mC1 ALA 176 HA 0.14 0.36 0.90 -0.75 4.34 4.99 3k6mC1 ALA 176 HB3 0.08 0.00 -0.07 -0.04 1.41 1.38 3k6mC1 ASP 177 H 0.22 0.47 0.16 -0.55 8.40 8.71 3k6mC1 ASP 177 HA -0.18 0.29 0.82 -0.75 4.63 4.81 3k6mC1 ASP 177 HB2 -0.24 -0.01 -0.11 -0.04 2.71 2.31 3k6mC1 ASP 177 HB3 -0.68 0.02 -0.03 -0.04 2.70 1.97 3k6mC1 GLN 178 H -0.10 0.20 0.14 -0.55 8.47 8.16 3k6mC1 GLN 178 HA -0.13 0.17 0.47 -0.75 4.36 4.12 3k6mC1 GLN 178 HB2 -0.12 -0.11 0.12 -0.04 2.15 1.99 3k6mC1 GLN 178 HB3 -0.25 0.09 0.12 -0.04 2.02 1.94 3k6mC1 GLN 178 HG2 -0.18 0.03 -0.08 -0.04 2.40 2.12 3k6mC1 GLN 178 HG3 -0.12 0.20 0.02 -0.04 2.39 2.44 3k6mC1 GLN 178 HE21 -0.10 0.02 -0.07 -0.04 6.97 6.79 3k6mC1 GLN 178 HE22 -0.10 0.02 -0.20 -0.04 7.69 7.37 3k6mC1 ALA 179 H 0.04 -0.11 -0.29 -0.55 8.40 7.48 3k6mC1 ALA 179 HA 0.10 0.30 0.85 -0.75 4.34 4.83 3k6mC1 ALA 179 HB3 0.05 -0.03 0.08 -0.04 1.41 1.47 3k6mC1 GLY 180 H 0.25 0.32 -0.21 -0.55 8.43 8.24 3k6mC1 GLY 180 HA2 0.06 0.02 0.20 -0.51 4.01 3.78 3k6mC1 GLY 180 HA3 0.08 0.35 0.79 -0.51 4.01 4.72 3k6mC1 ASN 181 H 0.13 -0.10 -0.06 -0.55 8.53 7.96 3k6mC1 ASN 181 HA 0.06 0.21 0.61 -0.75 4.76 4.89 3k6mC1 ASN 181 HB2 0.28 -0.16 0.04 -0.04 2.88 2.99 3k6mC1 ASN 181 HB3 0.11 0.07 -0.03 -0.04 2.79 2.89 3k6mC1 ASN 181 HD21 0.06 0.09 0.00 -0.04 7.03 7.15 3k6mC1 ASN 181 HD22 0.11 -0.12 0.01 -0.04 7.74 7.71 3k6mC1 VAL 182 H -0.04 0.59 0.27 -0.55 8.24 8.51 3k6mC1 VAL 182 HA -0.08 0.27 1.22 -0.75 4.13 4.79 3k6mC1 VAL 182 HB -0.21 0.04 0.09 -0.04 2.12 2.00 3k6mC1 VAL 182 HG13 -0.03 0.05 -0.30 -0.04 0.97 0.64 3k6mC1 VAL 182 HG23 -0.32 -0.02 -0.19 -0.04 0.95 0.38 3k6mC1 THR 183 H -0.34 0.57 0.37 -0.55 8.28 8.34 3k6mC1 THR 183 HA -0.34 0.12 0.88 -0.75 4.39 4.29 3k6mC1 THR 183 HB -0.35 0.08 0.15 -0.04 4.32 4.16 3k6mC1 THR 183 HG23 -1.21 -0.01 -0.10 -0.04 1.22 -0.14 3k6mC1 PHE 184 H 0.78 0.32 0.22 -0.55 8.34 9.11 3k6mC1 PHE 184 HA 0.21 -0.01 0.94 -0.75 4.62 5.01 3k6mC1 PHE 184 HB2 0.02 0.05 -0.04 -0.04 3.15 3.14 3k6mC1 PHE 184 HB3 0.00 0.02 -0.15 -0.04 3.06 2.89 3k6mC1 PHE 184 HD2 0.11 0.05 -0.02 -0.04 7.28 7.38 3k6mC1 PHE 184 HE2 0.06 0.14 -0.19 -0.04 7.38 7.35 3k6mC1 PHE 184 HZ 0.03 0.10 -0.27 -0.04 7.32 7.14 3k6mC1 ARG 185 H 0.07 0.15 0.10 -0.55 8.46 8.22 3k6mC1 ARG 185 HA -0.27 0.17 0.75 -0.75 4.34 4.24 3k6mC1 ARG 185 HB2 -1.23 -0.02 -0.00 -0.04 1.90 0.61 3k6mC1 ARG 185 HB3 -0.54 -0.04 0.09 -0.04 1.80 1.27 3k6mC1 ARG 185 HG2 -0.64 -0.02 -0.16 -0.04 1.67 0.82 3k6mC1 ARG 185 HG3 -1.16 0.05 0.01 -0.04 1.67 0.54 3k6mC1 ARG 185 HD2 -2.59 0.01 -0.03 -0.04 3.22 0.57 3k6mC1 ARG 185 HD3 -0.86 -0.04 -0.03 -0.04 3.22 2.24 3k6mC1 LYS 186 H -0.44 0.19 0.16 -0.55 8.42 7.78 3k6mC1 LYS 186 HA -1.96 0.10 0.33 -0.75 4.32 2.03 3k6mC1 LYS 186 HB2 -0.43 0.07 -0.12 -0.04 1.87 1.35 3k6mC1 LYS 186 HB3 -0.65 0.03 0.12 -0.04 1.79 1.25 3k6mC1 LYS 186 HG2 -0.39 0.07 0.03 -0.04 1.46 1.13 3k6mC1 LYS 186 HG3 -0.42 -0.09 -0.08 -0.04 1.46 0.83 3k6mC1 LYS 186 HD2 -0.20 -0.09 -0.15 -0.04 1.69 1.21 3k6mC1 LYS 186 HD3 -0.09 0.05 -0.07 -0.04 1.68 1.53 3k6mC1 LYS 186 HE2 -0.06 0.04 -0.02 -0.04 2.99 2.91 3k6mC1 LYS 186 HE3 -0.19 -0.03 -0.04 -0.04 2.99 2.69 3k6mC1 SER 187 H -0.41 0.44 0.35 -0.55 8.46 8.29 3k6mC1 SER 187 HA -0.24 0.16 0.69 -0.75 4.49 4.34 3k6mC1 SER 187 HB2 -0.17 -0.01 0.07 -0.04 3.95 3.81 3k6mC1 SER 187 HB3 -0.06 -0.01 0.08 -0.04 3.93 3.90 3k6mC1 ALA 188 H -0.21 0.53 -0.17 -0.55 8.40 8.00 3k6mC1 ALA 188 HA -0.03 0.07 0.28 -0.75 4.34 3.90 3k6mC1 ALA 188 HB3 -0.04 -0.02 0.11 -0.04 1.41 1.42 3k6mC1 ARG 189 H -0.16 0.24 -0.53 -0.55 8.46 7.47 3k6mC1 ARG 189 HA -0.48 0.04 0.44 -0.75 4.34 3.59 3k6mC1 ARG 189 HB2 -0.17 0.06 -0.08 -0.04 1.90 1.66 3k6mC1 ARG 189 HB3 -0.24 0.05 0.03 -0.04 1.80 1.60 3k6mC1 ARG 189 HG2 -0.47 -0.07 -0.23 -0.04 1.67 0.86 3k6mC1 ARG 189 HG3 -0.94 -0.02 -0.07 -0.04 1.67 0.60 3k6mC1 ARG 189 HD2 -0.20 -0.11 -0.40 -0.04 3.22 2.47 3k6mC1 ARG 189 HD3 -0.24 0.03 -0.08 -0.04 3.22 2.88 3k6mC1 ASN 190 H -0.20 0.29 0.05 -0.55 8.53 8.13 3k6mC1 ASN 190 HA -0.17 0.06 0.45 -0.75 4.76 4.34 3k6mC1 ASN 190 HB2 0.19 -0.08 0.16 -0.04 2.88 3.11 3k6mC1 ASN 190 HB3 -0.07 0.32 0.17 -0.04 2.79 3.17 3k6mC1 ASN 190 HD21 0.08 0.18 -0.04 -0.04 7.03 7.21 3k6mC1 ASN 190 HD22 -0.01 0.49 0.03 -0.04 7.74 8.20 3k6mC1 PHE 191 H 0.26 0.15 0.23 -0.55 8.34 8.43 3k6mC1 PHE 191 HA -0.03 0.03 0.65 -0.75 4.62 4.51 3k6mC1 PHE 191 HB2 0.03 0.03 0.23 -0.04 3.15 3.39 3k6mC1 PHE 191 HB3 -0.00 0.10 0.12 -0.04 3.06 3.23 3k6mC1 PHE 191 HD2 0.08 0.05 0.04 -0.04 7.28 7.40 3k6mC1 PHE 191 HE2 0.10 0.00 -0.12 -0.04 7.38 7.33 3k6mC1 PHE 191 HZ 0.01 0.05 0.03 -0.04 7.32 7.37 3k6mC1 ASN 192 H -0.03 0.45 0.13 -0.55 8.53 8.54 3k6mC1 ASN 192 HA 0.05 -0.01 0.42 -0.75 4.76 4.46 3k6mC1 ASN 192 HB2 -0.28 0.24 0.33 -0.04 2.88 3.13 3k6mC1 ASN 192 HB3 0.18 0.01 0.10 -0.04 2.79 3.04 3k6mC1 ASN 192 HD21 0.09 0.43 0.34 -0.04 7.03 7.85 3k6mC1 ASN 192 HD22 0.01 0.35 0.32 -0.04 7.74 8.38 3k6mC1 LEU 193 H -0.34 0.19 -0.34 -0.55 8.37 7.33 3k6mC1 LEU 193 HA -0.10 0.10 0.14 -0.75 4.35 3.73 3k6mC1 LEU 193 HB2 -0.59 -0.05 -0.01 -0.04 1.64 0.95 3k6mC1 LEU 193 HB3 -0.26 -0.06 0.09 -0.04 1.64 1.37 3k6mC1 LEU 193 HG -0.00 0.10 -0.05 -0.04 1.64 1.65 3k6mC1 LEU 193 HD13 -0.01 -0.00 -0.03 -0.04 0.93 0.85 3k6mC1 LEU 193 HD23 -0.10 -0.01 -0.18 -0.04 0.89 0.55 3k6mC1 PRO 194 HA -0.12 0.17 0.42 -0.51 4.44 4.40 3k6mC1 PRO 194 HB2 -0.04 0.11 -0.10 -0.04 2.28 2.20 3k6mC1 PRO 194 HB3 -0.10 -0.01 0.08 -0.04 2.02 1.95 3k6mC1 PRO 194 HG2 -0.07 0.14 0.13 -0.04 2.03 2.19 3k6mC1 PRO 194 HG3 -0.22 -0.22 0.12 -0.04 2.03 1.68 3k6mC1 PRO 194 HD2 -0.18 0.02 0.00 -0.04 3.68 3.49 3k6mC1 PRO 194 HD3 -0.18 -0.02 0.14 -0.04 3.65 3.55 3k6mC1 MET 195 H -0.00 0.48 -0.28 -0.55 8.47 8.12 3k6mC1 MET 195 HA 0.02 0.09 0.40 -0.75 4.52 4.27 3k6mC1 MET 195 HB2 0.05 0.06 0.01 -0.04 2.15 2.23 3k6mC1 MET 195 HB3 0.04 -0.06 -0.07 -0.04 2.03 1.90 3k6mC1 MET 195 HG2 0.09 0.01 -0.04 -0.04 2.63 2.65 3k6mC1 MET 195 HG3 0.16 0.08 0.04 -0.04 2.56 2.81 3k6mC1 MET 195 HE3 -0.01 0.02 -0.03 -0.04 2.10 2.04 3k6mC1 CYS 196 H -0.04 0.40 -0.38 -0.55 8.50 7.93 3k6mC1 CYS 196 HA -0.02 0.00 0.25 -0.75 4.58 4.05 3k6mC1 CYS 196 HB2 -0.08 0.23 0.07 -0.04 2.97 3.15 3k6mC1 CYS 196 HB3 -0.05 0.03 -0.09 -0.04 2.97 2.81 3k6mC1 LYS 197 H -0.15 0.37 -0.52 -0.55 8.42 7.57 3k6mC1 LYS 197 HA -0.21 0.22 0.87 -0.75 4.32 4.44 3k6mC1 LYS 197 HB2 -0.21 0.07 0.06 -0.04 1.87 1.75 3k6mC1 LYS 197 HB3 -0.30 0.06 0.14 -0.04 1.79 1.65 3k6mC1 LYS 197 HG2 -1.69 0.01 -0.08 -0.04 1.46 -0.34 3k6mC1 LYS 197 HG3 -0.45 0.02 -0.02 -0.04 1.46 0.98 3k6mC1 LYS 197 HD2 -0.24 -0.05 -0.01 -0.04 1.69 1.36 3k6mC1 LYS 197 HD3 -0.40 0.03 -0.01 -0.04 1.68 1.26 3k6mC1 LYS 197 HE2 -0.36 0.01 -0.01 -0.04 2.99 2.59 3k6mC1 LYS 197 HE3 -0.23 0.02 -0.09 -0.04 2.99 2.66 3k6mC1 ALA 198 H -0.04 0.25 -0.19 -0.55 8.40 7.88 3k6mC1 ALA 198 HA 0.01 0.31 0.61 -0.75 4.34 4.52 3k6mC1 ALA 198 HB3 0.00 0.02 0.07 -0.04 1.41 1.46 3k6mC1 ALA 199 H 0.02 0.23 -0.23 -0.55 8.40 7.88 3k6mC1 ALA 199 HA 0.02 0.27 0.95 -0.75 4.34 4.83 3k6mC1 ALA 199 HB3 0.01 -0.04 -0.44 -0.04 1.41 0.90 3k6mC1 GLU 200 H -0.04 0.50 0.19 -0.55 8.60 8.70 3k6mC1 GLU 200 HA -0.01 0.05 0.44 -0.75 4.29 4.02 3k6mC1 GLU 200 HB2 -0.06 -0.03 0.20 -0.04 2.09 2.17 3k6mC1 GLU 200 HB3 -0.18 0.19 0.32 -0.04 1.99 2.28 3k6mC1 GLU 200 HG2 -0.12 -0.04 0.05 -0.04 2.34 2.19 3k6mC1 GLU 200 HG3 -0.15 -0.00 -0.11 -0.04 2.34 2.04 3k6mC1 THR 201 H -0.24 0.34 -0.06 -0.55 8.28 7.77 3k6mC1 THR 201 HA 0.24 0.20 0.91 -0.75 4.39 4.99 3k6mC1 THR 201 HB -1.07 -0.00 0.16 -0.04 4.32 3.38 3k6mC1 THR 201 HG23 0.06 -0.02 -0.15 -0.04 1.22 1.07 3k6mC1 THR 202 H 0.30 0.24 0.16 -0.55 8.28 8.43 3k6mC1 THR 202 HA 0.03 0.00 1.00 -0.75 4.39 4.66 3k6mC1 THR 202 HB -0.08 0.00 0.06 -0.04 4.32 4.25 3k6mC1 THR 202 HG23 -0.11 0.00 0.01 -0.04 1.22 1.08 3k6mC1 VAL 203 H 0.05 0.76 0.38 -0.55 8.24 8.88 3k6mC1 VAL 203 HA 0.00 0.25 0.98 -0.75 4.13 4.60 3k6mC1 VAL 203 HB 0.04 -0.04 0.21 -0.04 2.12 2.30 3k6mC1 VAL 203 HG13 -0.07 -0.03 -0.19 -0.04 0.97 0.64 3k6mC1 VAL 203 HG23 0.13 0.04 -0.15 -0.04 0.95 0.93 3k6mC1 VAL 204 H -0.02 0.73 0.35 -0.55 8.24 8.76 3k6mC1 VAL 204 HA 0.04 0.22 0.99 -0.75 4.13 4.63 3k6mC1 VAL 204 HB -0.03 -0.00 0.07 -0.04 2.12 2.12 3k6mC1 VAL 204 HG13 0.01 -0.03 -0.33 -0.04 0.97 0.58 3k6mC1 VAL 204 HG23 0.01 0.01 -0.20 -0.04 0.95 0.73 3k6mC1 GLU 205 H 0.07 0.67 0.40 -0.55 8.60 9.19 3k6mC1 GLU 205 HA 0.07 0.41 1.09 -0.75 4.29 5.11 3k6mC1 GLU 205 HB2 0.17 -0.03 0.03 -0.04 2.09 2.22 3k6mC1 GLU 205 HB3 0.07 -0.03 -0.01 -0.04 1.99 1.99 3k6mC1 GLU 205 HG2 0.10 0.16 0.07 -0.04 2.34 2.63 3k6mC1 GLU 205 HG3 0.18 -0.00 0.08 -0.04 2.34 2.56 3k6mC1 VAL 206 H 0.12 0.52 0.36 -0.55 8.24 8.70 3k6mC1 VAL 206 HA 0.06 0.41 0.97 -0.75 4.13 4.82 3k6mC1 VAL 206 HB 0.03 0.05 -0.31 -0.04 2.12 1.84 3k6mC1 VAL 206 HG13 -0.00 -0.02 -0.54 -0.04 0.97 0.37 3k6mC1 VAL 206 HG23 0.07 0.01 -0.29 -0.04 0.95 0.70 3k6mC1 GLU 207 H 0.01 0.46 0.33 -0.55 8.60 8.85 3k6mC1 GLU 207 HA 0.03 0.08 0.68 -0.75 4.29 4.33 3k6mC1 GLU 207 HB2 0.16 0.14 0.24 -0.04 2.09 2.59 3k6mC1 GLU 207 HB3 0.01 -0.01 0.09 -0.04 1.99 2.04 3k6mC1 GLU 207 HG2 -1.07 -0.04 0.04 -0.04 2.34 1.23 3k6mC1 GLU 207 HG3 -0.35 0.08 0.16 -0.04 2.34 2.19 3k6mC1 GLU 208 H 0.01 0.33 0.17 -0.55 8.60 8.57 3k6mC1 GLU 208 HA 0.03 0.00 0.78 -0.75 4.29 4.35 3k6mC1 GLU 208 HB2 -0.00 0.00 -0.22 -0.04 2.09 1.83 3k6mC1 GLU 208 HB3 -0.15 0.00 -0.02 -0.04 1.99 1.79 3k6mC1 GLU 208 HG2 -0.07 0.07 -0.23 -0.04 2.34 2.07 3k6mC1 GLU 208 HG3 -0.01 0.00 0.04 -0.04 2.34 2.33 3k6mC1 ILE 209 H 0.01 0.27 0.12 -0.55 8.25 8.11 3k6mC1 ILE 209 HA 0.02 0.32 0.94 -0.75 4.18 4.70 3k6mC1 ILE 209 HB 0.03 -0.01 0.07 -0.04 1.89 1.95 3k6mC1 ILE 209 HG12 0.18 0.05 -0.14 -0.04 1.49 1.54 3k6mC1 ILE 209 HG13 0.10 -0.13 -0.34 -0.04 1.21 0.81 3k6mC1 ILE 209 HG23 0.03 0.03 -0.24 -0.04 0.93 0.71 3k6mC1 ILE 209 HD13 0.23 0.01 -0.15 -0.04 0.88 0.92 3k6mC1 VAL 210 H -0.11 0.63 0.31 -0.55 8.24 8.52 3k6mC1 VAL 210 HA -0.12 0.21 0.90 -0.75 4.13 4.36 3k6mC1 VAL 210 HB -0.23 -0.02 0.07 -0.04 2.12 1.90 3k6mC1 VAL 210 HG13 -0.18 0.01 -0.24 -0.04 0.97 0.51 3k6mC1 VAL 210 HG23 -0.51 0.03 -0.25 -0.04 0.95 0.19 3k6mC1 ASP 211 H -0.15 0.15 0.12 -0.55 8.40 7.98 3k6mC1 ASP 211 HA -0.13 0.05 0.44 -0.75 4.63 4.24 3k6mC1 ASP 211 HB2 -0.12 -0.02 0.05 -0.04 2.71 2.57 3k6mC1 ASP 211 HB3 -0.10 0.19 0.01 -0.04 2.70 2.75 3k6mC1 ILE 212 H -0.11 0.16 0.22 -0.55 8.25 7.96 3k6mC1 ILE 212 HA -0.14 -0.07 0.63 -0.75 4.18 3.84 3k6mC1 ILE 212 HB -0.07 0.07 0.15 -0.04 1.89 2.00 3k6mC1 ILE 212 HG12 -0.04 -0.10 0.09 -0.04 1.49 1.40 3k6mC1 ILE 212 HG13 -0.08 -0.15 0.14 -0.04 1.21 1.08 3k6mC1 ILE 212 HG23 -0.04 0.03 -0.06 -0.04 0.93 0.81 3k6mC1 ILE 212 HD13 -0.04 0.08 -0.09 -0.04 0.88 0.79 3k6mC1 GLY 213 H -0.12 0.07 0.18 -0.55 8.43 8.02 3k6mC1 GLY 213 HA2 -0.05 0.07 0.33 -0.51 4.01 3.85 3k6mC1 GLY 213 HA3 -0.07 0.20 0.71 -0.51 4.01 4.34 3k6mC1 SER 214 H -0.28 0.35 -0.15 -0.55 8.46 7.84 3k6mC1 SER 214 HA -0.14 0.11 0.41 -0.75 4.49 4.12 3k6mC1 SER 214 HB2 -0.70 -0.05 -0.04 -0.04 3.95 3.12 3k6mC1 SER 214 HB3 -0.33 -0.03 -0.06 -0.04 3.93 3.47 3k6mC1 PHE 215 H -0.22 -0.05 -0.22 -0.55 8.34 7.30 3k6mC1 PHE 215 HA -0.08 0.15 0.69 -0.75 4.62 4.63 3k6mC1 PHE 215 HB2 -0.07 -0.08 -0.15 -0.04 3.15 2.81 3k6mC1 PHE 215 HB3 -0.09 0.16 -0.24 -0.04 3.06 2.86 3k6mC1 PHE 215 HD2 -0.12 0.05 -0.21 -0.04 7.28 6.97 3k6mC1 PHE 215 HE2 -0.21 0.05 -0.25 -0.04 7.38 6.92 3k6mC1 PHE 215 HZ -0.21 -0.04 -0.49 -0.04 7.32 6.53 3k6mC1 ALA 216 H 0.09 0.15 0.05 -0.55 8.40 8.15 3k6mC1 ALA 216 HA 0.04 0.19 0.66 -0.75 4.34 4.49 3k6mC1 ALA 216 HB3 0.04 0.01 0.07 -0.04 1.41 1.49 3k6mC1 PRO 217 HA 0.05 0.06 0.26 -0.51 4.44 4.30 3k6mC1 PRO 217 HB2 0.02 0.07 -0.05 -0.04 2.28 2.28 3k6mC1 PRO 217 HB3 0.03 0.03 0.08 -0.04 2.02 2.12 3k6mC1 PRO 217 HG2 0.02 0.02 0.07 -0.04 2.03 2.10 3k6mC1 PRO 217 HG3 0.02 0.08 0.08 -0.04 2.03 2.17 3k6mC1 PRO 217 HD2 0.03 0.08 0.22 -0.04 3.68 3.97 3k6mC1 PRO 217 HD3 0.03 0.23 0.21 -0.04 3.65 4.08 3k6mC1 GLU 218 H 0.03 0.10 -0.25 -0.55 8.60 7.93 3k6mC1 GLU 218 HA 0.02 0.13 0.53 -0.75 4.29 4.22 3k6mC1 GLU 218 HB2 0.03 -0.04 -0.07 -0.04 2.09 1.97 3k6mC1 GLU 218 HB3 0.03 0.04 0.00 -0.04 1.99 2.02 3k6mC1 GLU 218 HG2 0.02 0.04 0.01 -0.04 2.34 2.36 3k6mC1 GLU 218 HG3 0.02 0.03 0.01 -0.04 2.34 2.36 3k6mC1 ASP 219 H 0.01 0.49 -0.54 -0.55 8.40 7.82 3k6mC1 ASP 219 HA 0.05 0.22 0.61 -0.75 4.63 4.75 3k6mC1 ASP 219 HB2 -0.00 -0.02 0.06 -0.04 2.71 2.71 3k6mC1 ASP 219 HB3 0.00 -0.03 0.14 -0.04 2.70 2.77 3k6mC1 ILE 220 H -0.04 0.30 -0.41 -0.55 8.25 7.55 3k6mC1 ILE 220 HA -0.43 0.00 0.55 -0.75 4.18 3.55 3k6mC1 ILE 220 HB -0.01 0.17 0.05 -0.04 1.89 2.05 3k6mC1 ILE 220 HG12 -0.05 -0.08 -0.16 -0.04 1.49 1.16 3k6mC1 ILE 220 HG13 -0.03 0.06 -0.26 -0.04 1.21 0.94 3k6mC1 ILE 220 HG23 -0.02 -0.03 -0.32 -0.04 0.93 0.52 3k6mC1 ILE 220 HD13 0.11 -0.01 -0.07 -0.04 0.88 0.88 3k6mC1 HIS 221 H -0.39 0.21 0.24 -0.55 8.41 7.93 3k6mC1 HIS 221 HA 0.06 0.12 0.35 -0.75 4.63 4.41 3k6mC1 HIS 221 HB2 0.17 -0.00 0.13 -0.04 3.26 3.53 3k6mC1 HIS 221 HB3 0.30 -0.05 0.02 -0.04 3.20 3.42 3k6mC1 HIS 221 HD2 0.04 0.07 -0.24 -0.04 6.97 6.79 3k6mC1 HIS 221 HE1 0.14 0.15 0.16 -0.04 7.75 8.16 3k6mC1 ILE 222 H 0.05 0.46 0.05 -0.55 8.25 8.26 3k6mC1 ILE 222 HA 0.20 0.25 0.73 -0.75 4.18 4.60 3k6mC1 ILE 222 HB 0.12 -0.13 0.03 -0.04 1.89 1.87 3k6mC1 ILE 222 HG12 0.35 -0.02 -0.37 -0.04 1.49 1.41 3k6mC1 ILE 222 HG13 0.36 -0.08 -0.12 -0.04 1.21 1.33 3k6mC1 ILE 222 HG23 0.17 0.02 -0.19 -0.04 0.93 0.89 3k6mC1 ILE 222 HD13 -0.01 0.04 0.03 -0.04 0.88 0.91 3k6mC1 PRO 223 HA 0.05 -0.03 0.60 -0.51 4.44 4.56 3k6mC1 PRO 223 HB2 -0.03 -0.00 -0.02 -0.04 2.28 2.18 3k6mC1 PRO 223 HB3 0.01 0.02 0.08 -0.04 2.02 2.09 3k6mC1 PRO 223 HG2 0.09 0.08 0.02 -0.04 2.03 2.19 3k6mC1 PRO 223 HG3 0.07 0.09 -0.01 -0.04 2.03 2.14 3k6mC1 PRO 223 HD2 0.35 0.13 0.12 -0.04 3.68 4.23 3k6mC1 PRO 223 HD3 0.16 0.29 -0.22 -0.04 3.65 3.83 3k6mC1 LYS 224 H 0.04 0.08 0.07 -0.55 8.42 8.05 3k6mC1 LYS 224 HA 0.04 0.25 0.11 -0.75 4.32 3.96 3k6mC1 LYS 224 HB2 0.05 0.31 -0.00 -0.04 1.87 2.19 3k6mC1 LYS 224 HB3 0.06 -0.24 -0.32 -0.04 1.79 1.25 3k6mC1 LYS 224 HG2 0.02 -0.18 0.04 -0.04 1.46 1.29 3k6mC1 LYS 224 HG3 0.02 0.12 -0.15 -0.04 1.46 1.41 3k6mC1 LYS 224 HD2 0.05 0.24 0.01 -0.04 1.69 1.95 3k6mC1 LYS 224 HD3 0.05 -0.20 -0.06 -0.04 1.68 1.43 3k6mC1 LYS 224 HE2 0.01 -0.05 -0.00 -0.04 2.99 2.91 3k6mC1 LYS 224 HE3 0.02 0.08 -0.01 -0.04 2.99 3.03 3k6mC1 ILE 225 H -0.07 -0.03 -0.41 -0.55 8.25 7.20 3k6mC1 ILE 225 HA -0.03 0.11 0.30 -0.75 4.18 3.81 3k6mC1 ILE 225 HB -0.13 -0.07 0.05 -0.04 1.89 1.69 3k6mC1 ILE 225 HG12 -0.16 0.07 -0.03 -0.04 1.49 1.33 3k6mC1 ILE 225 HG13 -0.07 0.02 0.08 -0.04 1.21 1.19 3k6mC1 ILE 225 HG23 -0.64 -0.01 -0.13 -0.04 0.93 0.12 3k6mC1 ILE 225 HD13 -0.12 -0.01 -0.00 -0.04 0.88 0.70 3k6mC1 TYR 226 H 0.01 0.40 -0.36 -0.55 8.29 7.79 3k6mC1 TYR 226 HA -0.05 0.20 0.73 -0.75 4.56 4.69 3k6mC1 TYR 226 HB2 -0.01 0.02 -0.07 -0.04 3.06 2.96 3k6mC1 TYR 226 HB3 -0.06 0.11 0.01 -0.04 2.98 3.00 3k6mC1 TYR 226 HD2 0.02 0.06 0.02 -0.04 7.15 7.20 3k6mC1 TYR 226 HE2 0.02 0.04 0.02 -0.04 6.85 6.89 3k6mC1 VAL 227 H 0.03 0.58 -0.29 -0.55 8.24 8.01 3k6mC1 VAL 227 HA -0.09 -0.03 0.58 -0.75 4.13 3.84 3k6mC1 VAL 227 HB -0.00 0.14 0.17 -0.04 2.12 2.38 3k6mC1 VAL 227 HG13 -0.07 -0.05 -0.22 -0.04 0.97 0.60 3k6mC1 VAL 227 HG23 0.03 -0.00 -0.18 -0.04 0.95 0.76 3k6mC1 HIS 228 H -0.15 0.17 0.24 -0.55 8.41 8.11 3k6mC1 HIS 228 HA 0.02 0.19 0.45 -0.75 4.63 4.54 3k6mC1 HIS 228 HB2 0.01 0.07 0.27 -0.04 3.26 3.57 3k6mC1 HIS 228 HB3 0.02 -0.01 0.13 -0.04 3.20 3.30 3k6mC1 HIS 228 HD2 0.02 0.07 -0.26 -0.04 6.97 6.76 3k6mC1 HIS 228 HE1 0.01 0.23 -0.04 -0.04 7.75 7.90 3k6mC1 ARG 229 H 0.04 0.32 0.28 -0.55 8.46 8.55 3k6mC1 ARG 229 HA 0.14 0.37 0.99 -0.75 4.34 5.08 3k6mC1 ARG 229 HB2 -0.04 -0.09 0.15 -0.04 1.90 1.88 3k6mC1 ARG 229 HB3 -0.17 -0.05 0.05 -0.04 1.80 1.59 3k6mC1 ARG 229 HG2 0.25 0.11 -0.11 -0.04 1.67 1.88 3k6mC1 ARG 229 HG3 0.12 -0.04 -0.23 -0.04 1.67 1.48 3k6mC1 ARG 229 HD2 -0.04 0.05 -0.01 -0.04 3.22 3.18 3k6mC1 ARG 229 HD3 -0.34 -0.06 0.01 -0.04 3.22 2.79 3k6mC1 LEU 230 H 0.03 0.60 0.32 -0.55 8.37 8.78 3k6mC1 LEU 230 HA -0.09 0.00 0.95 -0.75 4.35 4.46 3k6mC1 LEU 230 HB2 -0.41 0.00 -0.30 -0.04 1.64 0.88 3k6mC1 LEU 230 HB3 -0.87 0.00 -0.05 -0.04 1.64 0.68 3k6mC1 LEU 230 HG -0.44 0.00 -0.18 -0.04 1.64 0.98 3k6mC1 LEU 230 HD13 0.00 -0.01 -0.37 -0.04 0.93 0.52 3k6mC1 LEU 230 HD23 -0.08 0.02 -0.15 -0.04 0.89 0.64 3k6mC1 VAL 231 H 0.01 0.75 0.39 -0.55 8.24 8.85 3k6mC1 VAL 231 HA 0.12 0.30 0.84 -0.75 4.13 4.64 3k6mC1 VAL 231 HB 0.05 0.01 -0.29 -0.04 2.12 1.84 3k6mC1 VAL 231 HG13 0.03 -0.01 -0.20 -0.04 0.97 0.75 3k6mC1 VAL 231 HG23 0.09 0.07 -0.30 -0.04 0.95 0.76 3k6mC1 LYS 232 H 0.12 0.28 0.07 -0.55 8.42 8.34 3k6mC1 LYS 232 HA 0.13 0.12 0.85 -0.75 4.32 4.67 3k6mC1 LYS 232 HB2 0.12 -0.05 -0.04 -0.04 1.87 1.86 3k6mC1 LYS 232 HB3 0.10 0.01 0.09 -0.04 1.79 1.95 3k6mC1 LYS 232 HG2 0.14 0.18 -0.24 -0.04 1.46 1.50 3k6mC1 LYS 232 HG3 0.13 -0.02 -0.27 -0.04 1.46 1.26 3k6mC1 LYS 232 HD2 0.07 -0.17 -0.05 -0.04 1.69 1.49 3k6mC1 LYS 232 HD3 0.08 -0.01 -0.03 -0.04 1.68 1.67 3k6mC1 LYS 232 HE2 0.09 0.03 -0.01 -0.04 2.99 3.06 3k6mC1 LYS 232 HE3 0.10 0.27 0.07 -0.04 2.99 3.38 3k6mC1 GLY 233 H 0.27 0.48 0.18 -0.55 8.43 8.81 3k6mC1 GLY 233 HA2 0.01 -0.10 0.31 -0.51 4.01 3.73 3k6mC1 GLY 233 HA3 0.03 -0.04 0.25 -0.51 4.01 3.73 3k6mC1 GLU 234 H -0.09 0.01 0.19 -0.55 8.60 8.16 3k6mC1 GLU 234 HA 0.01 0.17 0.43 -0.75 4.29 4.15 3k6mC1 GLU 234 HB2 -0.01 0.00 0.16 -0.04 2.09 2.20 3k6mC1 GLU 234 HB3 -0.06 -0.08 0.14 -0.04 1.99 1.95 3k6mC1 GLU 234 HG2 -0.01 0.01 -0.09 -0.04 2.34 2.21 3k6mC1 GLU 234 HG3 0.00 0.05 0.08 -0.04 2.34 2.43 3k6mC1 LYS 235 H -0.32 0.06 -0.08 -0.55 8.42 7.51 3k6mC1 LYS 235 HA -0.05 0.23 0.83 -0.75 4.32 4.57 3k6mC1 LYS 235 HB2 -0.05 0.07 -0.25 -0.04 1.87 1.60 3k6mC1 LYS 235 HB3 -0.10 -0.09 -0.02 -0.04 1.79 1.55 3k6mC1 LYS 235 HG2 0.00 -0.11 -0.26 -0.04 1.46 1.05 3k6mC1 LYS 235 HG3 0.00 0.07 -0.03 -0.04 1.46 1.46 3k6mC1 LYS 235 HD2 0.02 0.02 -0.07 -0.04 1.69 1.62 3k6mC1 LYS 235 HD3 0.00 0.06 -0.06 -0.04 1.68 1.64 3k6mC1 LYS 235 HE2 0.01 0.05 -0.05 -0.04 2.99 2.97 3k6mC1 LYS 235 HE3 -0.01 -0.03 -0.07 -0.04 2.99 2.83 3k6mC1 TYR 236 H 0.08 0.34 0.06 -0.55 8.29 8.21 3k6mC1 TYR 236 HA 0.09 0.00 0.80 -0.75 4.56 4.70 3k6mC1 TYR 236 HB2 0.06 0.11 0.10 -0.04 3.06 3.28 3k6mC1 TYR 236 HB3 0.07 -0.05 0.04 -0.04 2.98 2.99 3k6mC1 TYR 236 HD2 0.07 0.01 -0.04 -0.04 7.15 7.16 3k6mC1 TYR 236 HE2 0.06 0.09 -0.02 -0.04 6.85 6.94 3k6mC1 GLU 237 H 0.20 0.10 0.10 -0.55 8.60 8.45 3k6mC1 GLU 237 HA 0.06 0.21 0.39 -0.75 4.29 4.20 3k6mC1 GLU 237 HB2 0.13 -0.09 0.07 -0.04 2.09 2.16 3k6mC1 GLU 237 HB3 -0.04 0.07 0.04 -0.04 1.99 2.02 3k6mC1 GLU 237 HG2 0.05 0.08 -0.09 -0.04 2.34 2.35 3k6mC1 GLU 237 HG3 0.14 -0.06 -0.08 -0.04 2.34 2.29 3k6mC1 LYS 238 H 0.16 -0.03 -0.14 -0.55 8.42 7.86 3k6mC1 LYS 238 HA 0.07 -0.02 0.26 -0.75 4.32 3.87 3k6mC1 LYS 238 HB2 0.03 0.23 -0.10 -0.04 1.87 1.98 3k6mC1 LYS 238 HB3 0.02 -0.06 0.14 -0.04 1.79 1.85 3k6mC1 LYS 238 HG2 0.08 -0.10 -0.06 -0.04 1.46 1.34 3k6mC1 LYS 238 HG3 0.09 0.18 -0.26 -0.04 1.46 1.43 3k6mC1 LYS 238 HD2 0.03 0.07 -0.02 -0.04 1.69 1.73 3k6mC1 LYS 238 HD3 0.00 -0.09 0.01 -0.04 1.68 1.55 3k6mC1 LYS 238 HE2 0.01 -0.07 -0.02 -0.04 2.99 2.87 3k6mC1 LYS 238 HE3 0.07 0.07 -0.02 -0.04 2.99 3.07 3k6mC1 ARG 239 H 0.05 -0.07 -0.15 -0.55 8.46 7.73 3k6mC1 ARG 239 HA -0.08 0.16 0.27 -0.75 4.34 3.94 3k6mC1 ARG 239 HB2 -0.14 -0.08 0.02 -0.04 1.90 1.66 3k6mC1 ARG 239 HB3 -0.21 0.06 -0.11 -0.04 1.80 1.50 3k6mC1 ARG 239 HG2 -0.27 0.15 -0.11 -0.04 1.67 1.40 3k6mC1 ARG 239 HG3 -0.51 -0.13 -0.04 -0.04 1.67 0.95 3k6mC1 ARG 239 HD2 -1.50 -0.09 -0.06 -0.04 3.22 1.53 3k6mC1 ARG 239 HD3 -0.47 0.07 -0.06 -0.04 3.22 2.73 3k6mC1 ILE 240 H -0.05 0.24 0.15 -0.55 8.25 8.04 3k6mC1 ILE 240 HA -0.00 0.11 0.77 -0.75 4.18 4.30 3k6mC1 ILE 240 HB -0.03 0.02 0.08 -0.04 1.89 1.92 3k6mC1 ILE 240 HG12 -0.02 0.14 -0.04 -0.04 1.49 1.53 3k6mC1 ILE 240 HG13 -0.02 0.03 -0.05 -0.04 1.21 1.13 3k6mC1 ILE 240 HG23 -0.02 -0.03 -0.31 -0.04 0.93 0.53 3k6mC1 ILE 240 HD13 -0.01 -0.00 -0.17 -0.04 0.88 0.66 3k6mC1 GLU 241 H 0.01 0.15 0.07 -0.55 8.60 8.29 3k6mC1 GLU 241 HA -0.00 0.09 0.51 -0.75 4.29 4.13 3k6mC1 GLU 241 HB2 0.04 -0.10 0.05 -0.04 2.09 2.03 3k6mC1 GLU 241 HB3 0.03 0.09 0.15 -0.04 1.99 2.21 3k6mC1 GLU 241 HG2 0.02 0.07 -0.21 -0.04 2.34 2.18 3k6mC1 GLU 241 HG3 0.02 -0.02 0.02 -0.04 2.34 2.32 3k6mC1 ARG 242 H -0.00 0.18 -0.00 -0.55 8.46 8.08 3k6mC1 ARG 242 HA -0.02 0.18 0.81 -0.75 4.34 4.56 3k6mC1 ARG 242 HB2 -0.01 0.15 0.01 -0.04 1.90 2.02 3k6mC1 ARG 242 HB3 -0.03 -0.00 -0.09 -0.04 1.80 1.63 3k6mC1 ARG 242 HG2 0.00 0.04 -0.05 -0.04 1.67 1.63 3k6mC1 ARG 242 HG3 0.01 -0.08 -0.41 -0.04 1.67 1.15 3k6mC1 ARG 242 HD2 0.02 0.12 -0.05 -0.04 3.22 3.27 3k6mC1 ARG 242 HD3 0.01 -0.06 -0.11 -0.04 3.22 3.02 3k6mC1 LEU 243 H -0.04 0.23 0.03 -0.55 8.37 8.05 3k6mC1 LEU 243 HA -0.06 0.05 0.68 -0.75 4.35 4.27 3k6mC1 LEU 243 HB2 -0.03 0.02 0.02 -0.04 1.64 1.60 3k6mC1 LEU 243 HB3 -0.04 0.02 0.15 -0.04 1.64 1.73 3k6mC1 LEU 243 HG -0.05 -0.00 -0.22 -0.04 1.64 1.33 3k6mC1 LEU 243 HD13 -0.03 0.00 -0.02 -0.04 0.93 0.84 3k6mC1 LEU 243 HD23 -0.02 0.00 -0.02 -0.04 0.89 0.81 3k6mC1 SER 244 H -0.13 0.22 0.20 -0.55 8.46 8.20 3k6mC1 SER 244 HA -0.27 0.16 0.87 -0.75 4.49 4.50 3k6mC1 SER 244 HB2 -0.56 0.15 0.14 -0.04 3.95 3.64 3k6mC1 SER 244 HB3 -1.35 0.04 -0.01 -0.04 3.93 2.56 3k6mC1 VAL 245 H -0.12 0.21 0.10 -0.55 8.24 7.88 3k6mC1 VAL 245 HA 0.02 0.37 0.88 -0.75 4.13 4.64 3k6mC1 VAL 245 HB 0.01 -0.11 0.03 -0.04 2.12 2.01 3k6mC1 VAL 245 HG13 -0.03 -0.01 -0.34 -0.04 0.97 0.54 3k6mC1 VAL 245 HG23 -0.01 0.01 -0.10 -0.04 0.95 0.81 3k6mC1 ARG 246 H 0.06 0.62 -0.21 -0.55 8.46 8.38 3k6mC1 ARG 246 HA 0.08 0.14 0.41 -0.75 4.34 4.21 3k6mC1 ARG 246 HB2 0.05 0.29 -0.18 -0.04 1.90 2.01 3k6mC1 ARG 246 HB3 0.02 -0.10 -0.08 -0.04 1.80 1.60 3k6mC1 ARG 246 HG2 -0.00 -0.00 0.02 -0.04 1.67 1.65 3k6mC1 ARG 246 HG3 -0.02 0.05 -0.01 -0.04 1.67 1.64 3k6mC1 ARG 246 HD2 -0.01 -0.04 -0.00 -0.04 3.22 3.13 3k6mC1 ARG 246 HD3 -0.03 0.03 -0.00 -0.04 3.22 3.19 3k6mC1 ASN 261 HA -0.02 0.01 0.22 -0.75 4.76 4.21 3k6mC1 ASN 261 HB2 -0.06 0.03 -0.05 -0.04 2.88 2.76 3k6mC1 ASN 261 HB3 -0.01 0.07 0.06 -0.04 2.79 2.86 3k6mC1 ASN 261 HD21 -0.02 0.02 0.02 -0.04 7.03 7.01 3k6mC1 ASN 261 HD22 -0.01 0.05 0.01 -0.04 7.74 7.75 3k6mC1 VAL 262 H -0.07 0.25 0.12 -0.55 8.24 7.99 3k6mC1 VAL 262 HA -0.19 0.11 0.35 -0.75 4.13 3.64 3k6mC1 VAL 262 HB -0.07 0.01 0.17 -0.04 2.12 2.20 3k6mC1 VAL 262 HG13 -0.08 -0.01 -0.10 -0.04 0.97 0.73 3k6mC1 VAL 262 HG23 -0.12 0.03 0.07 -0.04 0.95 0.89 3k6mC1 ARG 263 H -0.05 0.17 -0.06 -0.55 8.46 7.97 3k6mC1 ARG 263 HA -0.05 0.05 0.48 -0.75 4.34 4.06 3k6mC1 ARG 263 HB2 -0.00 0.05 0.07 -0.04 1.90 1.97 3k6mC1 ARG 263 HB3 -0.00 0.04 -0.00 -0.04 1.80 1.79 3k6mC1 ARG 263 HG2 -0.01 -0.03 0.01 -0.04 1.67 1.60 3k6mC1 ARG 263 HG3 -0.02 -0.05 0.03 -0.04 1.67 1.59 3k6mC1 ARG 263 HD2 0.01 0.05 0.02 -0.04 3.22 3.25 3k6mC1 ARG 263 HD3 0.02 0.03 -0.01 -0.04 3.22 3.23 3k6mC1 GLU 264 H -0.05 0.13 -0.32 -0.55 8.60 7.82 3k6mC1 GLU 264 HA -0.12 0.04 0.36 -0.75 4.29 3.82 3k6mC1 GLU 264 HB2 0.02 -0.04 0.05 -0.04 2.09 2.08 3k6mC1 GLU 264 HB3 -0.03 0.15 0.04 -0.04 1.99 2.11 3k6mC1 GLU 264 HG2 -0.08 -0.01 -0.07 -0.04 2.34 2.15 3k6mC1 GLU 264 HG3 0.12 -0.01 -0.03 -0.04 2.34 2.38 3k6mC1 ARG 265 H -0.14 0.60 -0.13 -0.55 8.46 8.24 3k6mC1 ARG 265 HA -0.11 0.06 0.37 -0.75 4.34 3.91 3k6mC1 ARG 265 HB2 -0.33 0.04 0.07 -0.04 1.90 1.63 3k6mC1 ARG 265 HB3 -0.32 0.03 0.15 -0.04 1.80 1.62 3k6mC1 ARG 265 HG2 -0.34 0.00 -0.22 -0.04 1.67 1.07 3k6mC1 ARG 265 HG3 -0.56 0.01 -0.00 -0.04 1.67 1.07 3k6mC1 ARG 265 HD2 -0.78 -0.10 0.10 -0.04 3.22 2.40 3k6mC1 ARG 265 HD3 -2.23 0.07 0.03 -0.04 3.22 1.06 3k6mC1 ILE 266 H -0.15 0.45 -0.21 -0.55 8.25 7.80 3k6mC1 ILE 266 HA -0.10 0.11 0.23 -0.75 4.18 3.68 3k6mC1 ILE 266 HB -0.09 0.09 0.06 -0.04 1.89 1.91 3k6mC1 ILE 266 HG12 -0.07 -0.04 -0.49 -0.04 1.49 0.85 3k6mC1 ILE 266 HG13 -0.12 0.11 -0.08 -0.04 1.21 1.07 3k6mC1 ILE 266 HG23 -0.06 -0.03 -0.28 -0.04 0.93 0.53 3k6mC1 ILE 266 HD13 -0.05 -0.08 -0.25 -0.04 0.88 0.46 3k6mC1 ILE 267 H -0.17 0.52 -0.23 -0.55 8.25 7.83 3k6mC1 ILE 267 HA -0.16 -0.03 0.34 -0.75 4.18 3.58 3k6mC1 ILE 267 HB -0.14 0.05 0.01 -0.04 1.89 1.78 3k6mC1 ILE 267 HG12 -0.02 -0.09 -0.30 -0.04 1.49 1.04 3k6mC1 ILE 267 HG13 -0.13 -0.00 -0.07 -0.04 1.21 0.97 3k6mC1 ILE 267 HG23 -0.63 0.03 -0.15 -0.04 0.93 0.14 3k6mC1 ILE 267 HD13 -0.03 0.03 -0.11 -0.04 0.88 0.72 3k6mC1 LYS 268 H -0.28 0.64 -0.20 -0.55 8.42 8.03 3k6mC1 LYS 268 HA -0.31 0.04 0.46 -0.75 4.32 3.76 3k6mC1 LYS 268 HB2 -0.09 0.13 0.13 -0.04 1.87 2.00 3k6mC1 LYS 268 HB3 -0.05 -0.12 0.11 -0.04 1.79 1.69 3k6mC1 LYS 268 HG2 -0.25 -0.02 0.00 -0.04 1.46 1.15 3k6mC1 LYS 268 HG3 -0.41 0.11 0.03 -0.04 1.46 1.14 3k6mC1 LYS 268 HD2 -0.01 -0.04 -0.12 -0.04 1.69 1.48 3k6mC1 LYS 268 HD3 0.04 0.04 -0.03 -0.04 1.68 1.69 3k6mC1 LYS 268 HE2 0.24 0.02 -0.05 -0.04 2.99 3.17 3k6mC1 LYS 268 HE3 0.16 -0.06 -0.07 -0.04 2.99 2.97 3k6mC1 ARG 269 H -0.10 0.38 -0.34 -0.55 8.46 7.85 3k6mC1 ARG 269 HA -0.04 0.14 0.77 -0.75 4.34 4.46 3k6mC1 ARG 269 HB2 0.02 0.15 0.07 -0.04 1.90 2.10 3k6mC1 ARG 269 HB3 -0.04 0.06 0.10 -0.04 1.80 1.88 3k6mC1 ARG 269 HG2 -0.00 -0.07 -0.07 -0.04 1.67 1.49 3k6mC1 ARG 269 HG3 -0.04 -0.05 -0.26 -0.04 1.67 1.27 3k6mC1 ARG 269 HD2 -0.03 -0.04 0.04 -0.04 3.22 3.16 3k6mC1 ARG 269 HD3 0.01 0.13 0.05 -0.04 3.22 3.37 3k6mC1 ALA 270 H -0.13 0.50 -0.01 -0.55 8.40 8.22 3k6mC1 ALA 270 HA -0.15 0.03 0.32 -0.75 4.34 3.78 3k6mC1 ALA 270 HB3 -0.15 -0.01 0.04 -0.04 1.41 1.25 3k6mC1 ALA 271 H -0.19 0.58 -0.27 -0.55 8.40 7.97 3k6mC1 ALA 271 HA -0.52 -0.03 0.23 -0.75 4.34 3.26 3k6mC1 ALA 271 HB3 0.02 0.04 0.06 -0.04 1.41 1.49 3k6mC1 LEU 272 H -0.13 0.40 -0.62 -0.55 8.37 7.47 3k6mC1 LEU 272 HA -0.03 0.09 0.42 -0.75 4.35 4.07 3k6mC1 LEU 272 HB2 -0.06 0.18 0.02 -0.04 1.64 1.74 3k6mC1 LEU 272 HB3 -0.03 -0.04 0.06 -0.04 1.64 1.59 3k6mC1 LEU 272 HG -0.03 0.02 -0.07 -0.04 1.64 1.52 3k6mC1 LEU 272 HD13 -0.01 -0.00 -0.22 -0.04 0.93 0.65 3k6mC1 LEU 272 HD23 0.00 -0.01 -0.07 -0.04 0.89 0.77 3k6mC1 GLU 273 H -0.28 0.51 -0.41 -0.55 8.60 7.88 3k6mC1 GLU 273 HA -0.06 0.07 0.51 -0.75 4.29 4.06 3k6mC1 GLU 273 HB2 -0.31 0.10 -0.02 -0.04 2.09 1.81 3k6mC1 GLU 273 HB3 -0.08 -0.09 -0.02 -0.04 1.99 1.76 3k6mC1 GLU 273 HG2 -0.13 0.07 -0.03 -0.04 2.34 2.20 3k6mC1 GLU 273 HG3 -0.11 -0.12 -0.05 -0.04 2.34 2.03 3k6mC1 PHE 274 H -0.21 0.33 -0.33 -0.55 8.34 7.59 3k6mC1 PHE 274 HA -0.01 -0.02 0.43 -0.75 4.62 4.25 3k6mC1 PHE 274 HB2 -0.02 0.15 0.02 -0.04 3.15 3.27 3k6mC1 PHE 274 HB3 -0.04 -0.05 -0.10 -0.04 3.06 2.84 3k6mC1 PHE 274 HD2 -0.00 0.04 -0.10 -0.04 7.28 7.18 3k6mC1 PHE 274 HE2 0.01 -0.00 -0.19 -0.04 7.38 7.15 3k6mC1 PHE 274 HZ 0.01 -0.09 -0.20 -0.04 7.32 6.99 3k6mC1 GLU 275 H 0.11 0.10 0.14 -0.55 8.60 8.40 3k6mC1 GLU 275 HA 0.04 0.17 0.75 -0.75 4.29 4.50 3k6mC1 GLU 275 HB2 0.03 -0.05 0.01 -0.04 2.09 2.04 3k6mC1 GLU 275 HB3 0.02 0.03 0.05 -0.04 1.99 2.04 3k6mC1 GLU 275 HG2 0.03 0.03 -0.08 -0.04 2.34 2.28 3k6mC1 GLU 275 HG3 0.05 0.09 -0.49 -0.04 2.34 1.95 3k6mC1 ASP 276 H -0.01 0.15 0.13 -0.55 8.40 8.13 3k6mC1 ASP 276 HA -0.08 -0.01 0.46 -0.75 4.63 4.25 3k6mC1 ASP 276 HB2 -0.02 0.03 0.19 -0.04 2.71 2.87 3k6mC1 ASP 276 HB3 -0.02 0.04 0.16 -0.04 2.70 2.84 3k6mC1 GLY 277 H -0.18 0.80 0.49 -0.55 8.43 8.99 3k6mC1 GLY 277 HA2 -0.15 -0.04 0.37 -0.51 4.01 3.68 3k6mC1 GLY 277 HA3 -0.06 0.06 0.48 -0.51 4.01 3.97 3k6mC1 MET 278 H -0.14 0.48 -0.09 -0.55 8.47 8.17 3k6mC1 MET 278 HA -0.04 0.07 0.50 -0.75 4.52 4.29 3k6mC1 MET 278 HB2 0.01 0.02 0.05 -0.04 2.15 2.18 3k6mC1 MET 278 HB3 -0.06 0.02 0.14 -0.04 2.03 2.09 3k6mC1 MET 278 HG2 0.02 -0.10 -0.58 -0.04 2.63 1.93 3k6mC1 MET 278 HG3 0.06 0.03 -0.04 -0.04 2.56 2.58 3k6mC1 MET 278 HE3 0.08 0.03 -0.02 -0.04 2.10 2.15 3k6mC1 TYR 279 H 0.13 0.19 0.27 -0.55 8.29 8.33 3k6mC1 TYR 279 HA 0.04 0.32 1.01 -0.75 4.56 5.18 3k6mC1 TYR 279 HB2 0.03 -0.00 0.36 -0.04 3.06 3.40 3k6mC1 TYR 279 HB3 0.02 -0.06 0.11 -0.04 2.98 3.00 3k6mC1 TYR 279 HD2 0.03 -0.02 0.07 -0.04 7.15 7.19 3k6mC1 TYR 279 HE2 -0.12 -0.01 -0.01 -0.04 6.85 6.67 3k6mC1 ALA 280 H 0.02 0.64 0.29 -0.55 8.40 8.80 3k6mC1 ALA 280 HA 0.10 0.27 1.08 -0.75 4.34 5.04 3k6mC1 ALA 280 HB3 0.08 0.01 -0.12 -0.04 1.41 1.34 3k6mC1 ASN 281 H 0.08 0.74 0.44 -0.55 8.53 9.24 3k6mC1 ASN 281 HA 0.04 0.25 1.15 -0.75 4.76 5.44 3k6mC1 ASN 281 HB2 0.02 -0.02 0.04 -0.04 2.88 2.88 3k6mC1 ASN 281 HB3 0.05 0.08 0.20 -0.04 2.79 3.08 3k6mC1 ASN 281 HD21 -0.01 -0.20 -0.08 -0.04 7.03 6.71 3k6mC1 ASN 281 HD22 -0.03 0.01 -0.20 -0.04 7.74 7.49 3k6mC1 LEU 282 H 0.04 0.45 0.27 -0.55 8.37 8.58 3k6mC1 LEU 282 HA 0.08 0.18 0.98 -0.75 4.35 4.84 3k6mC1 LEU 282 HB2 0.05 -0.12 0.11 -0.04 1.64 1.64 3k6mC1 LEU 282 HB3 0.08 0.03 -0.22 -0.04 1.64 1.48 3k6mC1 LEU 282 HG 0.06 -0.01 -0.19 -0.04 1.64 1.46 3k6mC1 LEU 282 HD13 0.07 0.03 -0.11 -0.04 0.93 0.87 3k6mC1 LEU 282 HD23 0.22 0.07 -0.19 -0.04 0.89 0.95 3k6mC1 GLY 283 H 0.07 0.75 0.27 -0.55 8.43 8.97 3k6mC1 GLY 283 HA2 0.06 -0.03 0.69 -0.51 4.01 4.22 3k6mC1 GLY 283 HA3 0.07 0.05 0.39 -0.51 4.01 4.01 3k6mC1 ILE 284 H 0.04 0.06 0.13 -0.55 8.25 7.93 3k6mC1 ILE 284 HA 0.04 -0.02 0.34 -0.75 4.18 3.78 3k6mC1 ILE 284 HB -0.07 0.04 0.01 -0.04 1.89 1.84 3k6mC1 ILE 284 HG12 0.01 0.04 -0.07 -0.04 1.49 1.43 3k6mC1 ILE 284 HG13 -0.02 -0.12 0.11 -0.04 1.21 1.14 3k6mC1 ILE 284 HG23 0.01 0.00 0.01 -0.04 0.93 0.91 3k6mC1 ILE 284 HD13 -0.33 0.06 0.05 -0.04 0.88 0.62 3k6mC1 GLY 285 H 0.05 0.10 0.17 -0.55 8.43 8.20 3k6mC1 GLY 285 HA2 0.05 0.07 0.31 -0.51 4.01 3.93 3k6mC1 GLY 285 HA3 0.05 0.11 0.71 -0.51 4.01 4.38 3k6mC1 ILE 286 H 0.04 0.16 0.17 -0.55 8.25 8.08 3k6mC1 ILE 286 HA 0.04 0.03 0.26 -0.75 4.18 3.76 3k6mC1 ILE 286 HB 0.02 0.16 0.08 -0.04 1.89 2.10 3k6mC1 ILE 286 HG12 0.01 -0.01 0.03 -0.04 1.49 1.48 3k6mC1 ILE 286 HG13 0.02 -0.06 0.10 -0.04 1.21 1.23 3k6mC1 ILE 286 HG23 -0.01 0.01 -0.22 -0.04 0.93 0.67 3k6mC1 ILE 286 HD13 -0.00 0.02 -0.03 -0.04 0.88 0.82 3k6mC1 PRO 287 HA 0.04 0.07 0.28 -0.51 4.44 4.31 3k6mC1 PRO 287 HB2 0.06 0.15 -0.12 -0.04 2.28 2.34 3k6mC1 PRO 287 HB3 0.06 -0.01 -0.05 -0.04 2.02 1.98 3k6mC1 PRO 287 HG2 0.05 -0.04 -0.27 -0.04 2.03 1.73 3k6mC1 PRO 287 HG3 0.04 0.04 -0.43 -0.04 2.03 1.64 3k6mC1 PRO 287 HD2 0.05 0.16 -0.64 -0.04 3.68 3.20 3k6mC1 PRO 287 HD3 0.04 0.05 -0.06 -0.04 3.65 3.64 3k6mC1 LEU 288 H 0.08 0.42 -0.48 -0.55 8.37 7.84 3k6mC1 LEU 288 HA 0.08 0.01 0.26 -0.75 4.35 3.94 3k6mC1 LEU 288 HB2 0.14 0.13 0.01 -0.04 1.64 1.87 3k6mC1 LEU 288 HB3 0.16 -0.05 -0.02 -0.04 1.64 1.68 3k6mC1 LEU 288 HG 0.07 0.24 -0.03 -0.04 1.64 1.89 3k6mC1 LEU 288 HD13 0.08 -0.03 0.02 -0.04 0.93 0.96 3k6mC1 LEU 288 HD23 0.07 -0.05 -0.18 -0.04 0.89 0.69 3k6mC1 LEU 289 H 0.10 0.42 -0.30 -0.55 8.37 8.05 3k6mC1 LEU 289 HA 0.06 0.03 0.35 -0.75 4.35 4.03 3k6mC1 LEU 289 HB2 0.06 0.12 -0.01 -0.04 1.64 1.77 3k6mC1 LEU 289 HB3 0.19 0.00 -0.07 -0.04 1.64 1.72 3k6mC1 LEU 289 HG 0.13 -0.02 0.01 -0.04 1.64 1.71 3k6mC1 LEU 289 HD13 0.05 -0.00 -0.10 -0.04 0.93 0.84 3k6mC1 LEU 289 HD23 0.25 -0.00 -0.04 -0.04 0.89 1.06 3k6mC1 ALA 290 H 0.10 0.52 -0.46 -0.55 8.40 8.01 3k6mC1 ALA 290 HA 0.24 0.05 0.13 -0.75 4.34 4.01 3k6mC1 ALA 290 HB3 0.24 0.01 -0.03 -0.04 1.41 1.59 3k6mC1 SER 291 H 0.02 0.32 -0.42 -0.55 8.46 7.82 3k6mC1 SER 291 HA -0.02 0.09 0.25 -0.75 4.49 4.06 3k6mC1 SER 291 HB2 -0.07 0.06 -0.23 -0.04 3.95 3.67 3k6mC1 SER 291 HB3 -0.03 -0.11 -0.05 -0.04 3.93 3.70 3k6mC1 ASN 292 H -0.03 0.49 -0.50 -0.55 8.53 7.94 3k6mC1 ASN 292 HA -0.22 0.11 0.74 -0.75 4.76 4.64 3k6mC1 ASN 292 HB2 -0.25 0.17 0.02 -0.04 2.88 2.78 3k6mC1 ASN 292 HB3 -0.45 -0.02 0.13 -0.04 2.79 2.41 3k6mC1 ASN 292 HD21 -1.77 -0.09 -0.04 -0.04 7.03 5.09 3k6mC1 ASN 292 HD22 -0.35 0.39 0.09 -0.04 7.74 7.83 3k6mC1 PHE 293 H 0.14 0.50 -0.29 -0.55 8.34 8.14 3k6mC1 PHE 293 HA 0.01 0.19 0.68 -0.75 4.62 4.75 3k6mC1 PHE 293 HB2 0.04 -0.00 -0.02 -0.04 3.15 3.13 3k6mC1 PHE 293 HB3 0.03 -0.02 0.08 -0.04 3.06 3.11 3k6mC1 PHE 293 HD2 -0.00 0.06 -0.19 -0.04 7.28 7.11 3k6mC1 PHE 293 HE2 0.00 -0.03 -0.11 -0.04 7.38 7.20 3k6mC1 PHE 293 HZ 0.01 -0.05 -0.09 -0.04 7.32 7.14 3k6mC1 ILE 294 H 0.02 0.13 -0.19 -0.55 8.25 7.66 3k6mC1 ILE 294 HA 0.15 0.09 0.67 -0.75 4.18 4.33 3k6mC1 ILE 294 HB -0.04 0.01 0.05 -0.04 1.89 1.86 3k6mC1 ILE 294 HG12 -0.13 -0.02 -0.07 -0.04 1.49 1.22 3k6mC1 ILE 294 HG13 -0.02 0.00 -0.04 -0.04 1.21 1.10 3k6mC1 ILE 294 HG23 -0.08 0.03 -0.13 -0.04 0.93 0.72 3k6mC1 ILE 294 HD13 -0.17 -0.02 0.02 -0.04 0.88 0.68 3k6mC1 SER 295 H 0.07 0.10 0.09 -0.55 8.46 8.17 3k6mC1 SER 295 HA 0.03 0.17 0.35 -0.75 4.49 4.29 3k6mC1 SER 295 HB2 0.02 -0.13 -0.07 -0.04 3.95 3.73 3k6mC1 SER 295 HB3 0.03 0.02 0.05 -0.04 3.93 3.98 3k6mC1 PRO 296 HA -0.02 0.15 0.24 -0.51 4.44 4.30 3k6mC1 PRO 296 HB2 -0.01 0.00 -0.01 -0.04 2.28 2.22 3k6mC1 PRO 296 HB3 -0.02 0.02 0.11 -0.04 2.02 2.10 3k6mC1 PRO 296 HG2 -0.01 0.02 0.07 -0.04 2.03 2.07 3k6mC1 PRO 296 HG3 -0.02 0.10 0.07 -0.04 2.03 2.14 3k6mC1 PRO 296 HD2 0.01 0.06 0.16 -0.04 3.68 3.87 3k6mC1 PRO 296 HD3 0.01 0.20 0.21 -0.04 3.65 4.02 3k6mC1 ASN 297 H -0.00 0.06 -0.46 -0.55 8.53 7.58 3k6mC1 ASN 297 HA -0.02 0.28 1.01 -0.75 4.76 5.28 3k6mC1 ASN 297 HB2 -0.00 -0.01 0.04 -0.04 2.88 2.86 3k6mC1 ASN 297 HB3 -0.01 -0.00 0.19 -0.04 2.79 2.93 3k6mC1 ASN 297 HD21 -0.00 0.00 -0.03 -0.04 7.03 6.96 3k6mC1 ASN 297 HD22 -0.00 -0.00 -0.01 -0.04 7.74 7.69 3k6mC1 MET 298 H -0.03 0.54 -0.30 -0.55 8.47 8.13 3k6mC1 MET 298 HA -0.04 0.14 0.75 -0.75 4.52 4.61 3k6mC1 MET 298 HB2 -0.04 0.00 -0.08 -0.04 2.15 1.99 3k6mC1 MET 298 HB3 -0.01 0.05 -0.15 -0.04 2.03 1.88 3k6mC1 MET 298 HG2 0.00 -0.05 -0.11 -0.04 2.63 2.44 3k6mC1 MET 298 HG3 -0.03 0.01 -0.25 -0.04 2.56 2.24 3k6mC1 MET 298 HE3 0.18 -0.00 -0.01 -0.04 2.10 2.22 3k6mC1 THR 299 H -0.10 0.13 0.13 -0.55 8.28 7.89 3k6mC1 THR 299 HA -0.19 0.23 0.87 -0.75 4.39 4.54 3k6mC1 THR 299 HB -0.16 -0.09 0.20 -0.04 4.32 4.24 3k6mC1 THR 299 HG23 -0.39 0.02 -0.14 -0.04 1.22 0.67 3k6mC1 VAL 300 H -0.30 0.32 0.05 -0.55 8.24 7.75 3k6mC1 VAL 300 HA -0.42 0.21 0.90 -0.75 4.13 4.06 3k6mC1 VAL 300 HB -0.39 0.00 0.01 -0.04 2.12 1.69 3k6mC1 VAL 300 HG13 -0.75 -0.00 -0.19 -0.04 0.97 -0.02 3k6mC1 VAL 300 HG23 -0.17 0.03 -0.32 -0.04 0.95 0.45 3k6mC1 HIS 301 H -0.43 0.74 0.19 -0.55 8.41 8.37 3k6mC1 HIS 301 HA -0.13 0.10 0.84 -0.75 4.63 4.69 3k6mC1 HIS 301 HB2 -0.45 0.05 0.18 -0.04 3.26 3.01 3k6mC1 HIS 301 HB3 0.03 -0.06 -0.01 -0.04 3.20 3.12 3k6mC1 HIS 301 HD2 -0.08 0.05 -0.13 -0.04 6.97 6.75 3k6mC1 HIS 301 HE1 -0.16 0.01 -0.07 -0.04 7.75 7.48 3k6mC1 LEU 302 H -0.04 0.22 0.24 -0.55 8.37 8.25 3k6mC1 LEU 302 HA -0.06 0.38 0.83 -0.75 4.35 4.74 3k6mC1 LEU 302 HB2 -0.07 -0.04 0.21 -0.04 1.64 1.70 3k6mC1 LEU 302 HB3 -0.05 -0.03 -0.02 -0.04 1.64 1.49 3k6mC1 LEU 302 HG -0.26 0.09 -0.18 -0.04 1.64 1.25 3k6mC1 LEU 302 HD13 -0.13 0.05 -0.14 -0.04 0.93 0.67 3k6mC1 LEU 302 HD23 -0.45 0.00 -0.22 -0.04 0.89 0.18 3k6mC1 GLN 303 H 0.03 0.79 0.46 -0.55 8.47 9.20 3k6mC1 GLN 303 HA 0.03 0.26 0.90 -0.75 4.36 4.80 3k6mC1 GLN 303 HB2 0.07 0.06 -0.03 -0.04 2.15 2.22 3k6mC1 GLN 303 HB3 0.03 -0.10 -0.02 -0.04 2.02 1.88 3k6mC1 GLN 303 HG2 0.14 0.19 0.10 -0.04 2.40 2.78 3k6mC1 GLN 303 HG3 0.03 0.03 -0.09 -0.04 2.39 2.32 3k6mC1 GLN 303 HE21 -0.10 -0.08 -0.12 -0.04 6.97 6.63 3k6mC1 GLN 303 HE22 0.04 0.04 -0.09 -0.04 7.69 7.64 3k6mC1 SER 304 H -0.04 0.72 0.41 -0.55 8.46 9.00 3k6mC1 SER 304 HA -0.04 0.16 0.96 -0.75 4.49 4.82 3k6mC1 SER 304 HB2 -0.06 0.12 0.00 -0.04 3.95 3.98 3k6mC1 SER 304 HB3 -0.13 -0.04 0.14 -0.04 3.93 3.87 3k6mC1 GLU 305 H -0.06 0.19 0.19 -0.55 8.60 8.38 3k6mC1 GLU 305 HA -0.25 0.16 0.18 -0.75 4.29 3.62 3k6mC1 GLU 305 HB2 -0.26 0.01 0.08 -0.04 2.09 1.87 3k6mC1 GLU 305 HB3 -0.07 0.06 0.10 -0.04 1.99 2.04 3k6mC1 GLU 305 HG2 0.06 -0.08 0.11 -0.04 2.34 2.38 3k6mC1 GLU 305 HG3 0.28 0.04 -0.14 -0.04 2.34 2.48 3k6mC1 ASN 306 H -0.30 -0.00 -0.33 -0.55 8.53 7.35 3k6mC1 ASN 306 HA -0.40 0.06 0.63 -0.75 4.76 4.31 3k6mC1 ASN 306 HB2 -0.94 0.09 0.12 -0.04 2.88 2.12 3k6mC1 ASN 306 HB3 -2.39 -0.06 0.03 -0.04 2.79 0.32 3k6mC1 ASN 306 HD21 -0.19 0.54 -0.07 -0.04 7.03 7.27 3k6mC1 ASN 306 HD22 -0.35 0.00 -0.08 -0.04 7.74 7.27 3k6mC1 GLY 307 H -0.26 0.37 -0.22 -0.55 8.43 7.78 3k6mC1 GLY 307 HA2 -0.37 -0.00 0.10 -0.51 4.01 3.23 3k6mC1 GLY 307 HA3 -0.39 0.32 0.53 -0.51 4.01 3.95 3k6mC1 ILE 308 H -0.30 0.34 0.31 -0.55 8.25 8.05 3k6mC1 ILE 308 HA -0.53 0.37 1.05 -0.75 4.18 4.32 3k6mC1 ILE 308 HB -0.14 -0.17 0.08 -0.04 1.89 1.61 3k6mC1 ILE 308 HG12 0.07 0.10 -0.15 -0.04 1.49 1.47 3k6mC1 ILE 308 HG13 -0.18 -0.18 -0.44 -0.04 1.21 0.37 3k6mC1 ILE 308 HG23 -0.21 0.02 -0.21 -0.04 0.93 0.48 3k6mC1 ILE 308 HD13 -0.03 -0.01 -0.06 -0.04 0.88 0.73 3k6mC1 LEU 309 H -0.22 0.69 0.28 -0.55 8.37 8.58 3k6mC1 LEU 309 HA 0.05 0.11 0.84 -0.75 4.35 4.59 3k6mC1 LEU 309 HB2 0.26 -0.03 -0.06 -0.04 1.64 1.77 3k6mC1 LEU 309 HB3 0.11 -0.01 0.15 -0.04 1.64 1.84 3k6mC1 LEU 309 HG 0.06 0.06 -0.22 -0.04 1.64 1.50 3k6mC1 LEU 309 HD13 0.19 -0.01 -0.18 -0.04 0.93 0.89 3k6mC1 LEU 309 HD23 -0.01 0.02 -0.07 -0.04 0.89 0.79 3k6mC1 GLY 310 H 0.00 0.59 0.23 -0.55 8.43 8.71 3k6mC1 GLY 310 HA2 0.02 0.03 0.36 -0.51 4.01 3.92 3k6mC1 GLY 310 HA3 -0.05 0.18 0.95 -0.51 4.01 4.59 3k6mC1 LEU 311 H -0.04 0.34 0.26 -0.55 8.37 8.39 3k6mC1 LEU 311 HA -0.04 0.07 0.48 -0.75 4.35 4.10 3k6mC1 LEU 311 HB2 -0.04 -0.06 0.06 -0.04 1.64 1.55 3k6mC1 LEU 311 HB3 -0.03 0.15 -0.04 -0.04 1.64 1.68 3k6mC1 LEU 311 HG -0.04 -0.02 -0.12 -0.04 1.64 1.42 3k6mC1 LEU 311 HD13 -0.00 -0.03 -0.08 -0.04 0.93 0.77 3k6mC1 LEU 311 HD23 -0.02 -0.00 -0.05 -0.04 0.89 0.77 3k6mC1 GLY 312 H -0.03 0.61 0.24 -0.55 8.43 8.70 3k6mC1 GLY 312 HA2 -0.06 0.22 0.80 -0.51 4.01 4.46 3k6mC1 GLY 312 HA3 -0.04 -0.02 0.08 -0.51 4.01 3.52 3k6mC1 PRO 313 HA -0.19 0.04 0.17 -0.51 4.44 3.94 3k6mC1 PRO 313 HB2 -0.06 0.08 -0.06 -0.04 2.28 2.20 3k6mC1 PRO 313 HB3 -0.14 0.00 0.11 -0.04 2.02 1.95 3k6mC1 PRO 313 HG2 -0.07 0.00 0.05 -0.04 2.03 1.98 3k6mC1 PRO 313 HG3 -0.10 0.14 0.12 -0.04 2.03 2.14 3k6mC1 PRO 313 HD2 -0.04 0.04 0.08 -0.04 3.68 3.72 3k6mC1 PRO 313 HD3 -0.06 0.15 0.19 -0.04 3.65 3.89 3k6mC1 TYR 314 H -0.26 0.08 0.01 -0.55 8.29 7.57 3k6mC1 TYR 314 HA -0.00 0.07 0.44 -0.75 4.56 4.31 3k6mC1 TYR 314 HB2 -0.01 -0.04 -0.31 -0.04 3.06 2.65 3k6mC1 TYR 314 HB3 -0.00 0.18 -0.37 -0.04 2.98 2.75 3k6mC1 TYR 314 HD2 0.01 0.12 -0.07 -0.04 7.15 7.16 3k6mC1 TYR 314 HE2 0.04 -0.06 -0.09 -0.04 6.85 6.70 3k6mC1 PRO 315 HA 0.04 0.10 0.40 -0.51 4.44 4.47 3k6mC1 PRO 315 HB2 0.02 0.13 -0.25 -0.04 2.28 2.13 3k6mC1 PRO 315 HB3 0.03 0.12 -0.17 -0.04 2.02 1.95 3k6mC1 PRO 315 HG2 0.02 -0.01 -0.10 -0.04 2.03 1.90 3k6mC1 PRO 315 HG3 0.02 -0.03 -0.15 -0.04 2.03 1.84 3k6mC1 PRO 315 HD2 0.11 0.42 0.09 -0.04 3.68 4.25 3k6mC1 PRO 315 HD3 0.10 -0.06 -0.28 -0.04 3.65 3.37 3k6mC1 LEU 316 H 0.02 0.18 0.11 -0.55 8.37 8.13 3k6mC1 LEU 316 HA 0.01 0.02 0.68 -0.75 4.35 4.32 3k6mC1 LEU 316 HB2 0.01 -0.02 0.06 -0.04 1.64 1.65 3k6mC1 LEU 316 HB3 0.01 -0.02 0.09 -0.04 1.64 1.67 3k6mC1 LEU 316 HG 0.01 0.04 0.09 -0.04 1.64 1.73 3k6mC1 LEU 316 HD13 0.00 0.03 0.02 -0.04 0.93 0.94 3k6mC1 LEU 316 HD23 0.01 0.00 0.05 -0.04 0.89 0.90 3k6mC1 GLN 317 H 0.00 0.17 0.10 -0.55 8.47 8.19 3k6mC1 GLN 317 HA -0.01 0.08 0.28 -0.75 4.36 3.97 3k6mC1 GLN 317 HB2 -0.00 0.03 0.11 -0.04 2.15 2.24 3k6mC1 GLN 317 HB3 -0.00 -0.04 0.11 -0.04 2.02 2.04 3k6mC1 GLN 317 HG2 -0.00 0.03 -0.04 -0.04 2.40 2.34 3k6mC1 GLN 317 HG3 -0.00 0.04 -0.33 -0.04 2.39 2.06 3k6mC1 GLN 317 HE21 -0.01 -0.02 -0.01 -0.04 6.97 6.89 3k6mC1 GLN 317 HE22 -0.01 0.02 -0.03 -0.04 7.69 7.64 3k6mC1 ASN 318 H 0.00 0.04 -0.27 -0.55 8.53 7.76 3k6mC1 ASN 318 HA -0.00 0.14 0.41 -0.75 4.76 4.56 3k6mC1 ASN 318 HB2 0.00 -0.02 0.06 -0.04 2.88 2.87 3k6mC1 ASN 318 HB3 0.00 -0.02 -0.06 -0.04 2.79 2.68 3k6mC1 ASN 318 HD21 0.00 0.01 0.05 -0.04 7.03 7.06 3k6mC1 ASN 318 HD22 0.00 -0.02 0.06 -0.04 7.74 7.75 3k6mC1 GLU 319 H 0.00 0.39 -0.46 -0.55 8.60 7.99 3k6mC1 GLU 319 HA -0.00 0.17 0.73 -0.75 4.29 4.44 3k6mC1 GLU 319 HB2 0.01 0.00 0.06 -0.04 2.09 2.12 3k6mC1 GLU 319 HB3 0.01 0.01 0.13 -0.04 1.99 2.09 3k6mC1 GLU 319 HG2 0.00 0.07 -0.01 -0.04 2.34 2.36 3k6mC1 GLU 319 HG3 0.00 -0.11 -0.07 -0.04 2.34 2.13 3k6mC1 VAL 320 H -0.00 0.32 -0.28 -0.55 8.24 7.73 3k6mC1 VAL 320 HA -0.00 0.01 0.38 -0.75 4.13 3.77 3k6mC1 VAL 320 HB -0.01 0.13 0.12 -0.04 2.12 2.32 3k6mC1 VAL 320 HG13 -0.01 -0.05 -0.19 -0.04 0.97 0.68 3k6mC1 VAL 320 HG23 -0.01 -0.00 -0.01 -0.04 0.95 0.89 3k6mC1 ASP 321 H -0.01 0.25 0.22 -0.55 8.40 8.31 3k6mC1 ASP 321 HA -0.03 0.14 0.77 -0.75 4.63 4.75 3k6mC1 ASP 321 HB2 -0.04 0.24 -0.08 -0.04 2.71 2.79 3k6mC1 ASP 321 HB3 -0.04 -0.01 0.18 -0.04 2.70 2.79 3k6mC1 ALA 322 H -0.03 0.26 0.07 -0.55 8.40 8.16 3k6mC1 ALA 322 HA -0.01 0.08 0.30 -0.75 4.34 3.96 3k6mC1 ALA 322 HB3 0.00 0.06 -0.03 -0.04 1.41 1.40 3k6mC1 ASP 323 H -0.08 0.08 -0.47 -0.55 8.40 7.38 3k6mC1 ASP 323 HA -0.08 0.11 0.63 -0.75 4.63 4.54 3k6mC1 ASP 323 HB2 -0.21 0.05 -0.07 -0.04 2.71 2.45 3k6mC1 ASP 323 HB3 -0.24 -0.01 0.04 -0.04 2.70 2.45 3k6mC1 LEU 324 H -0.05 0.63 -0.33 -0.55 8.37 8.07 3k6mC1 LEU 324 HA -0.06 0.03 0.91 -0.75 4.35 4.47 3k6mC1 LEU 324 HB2 -0.06 -0.09 -0.11 -0.04 1.64 1.33 3k6mC1 LEU 324 HB3 -0.02 0.11 0.22 -0.04 1.64 1.91 3k6mC1 LEU 324 HG 0.03 -0.00 -0.32 -0.04 1.64 1.31 3k6mC1 LEU 324 HD13 0.10 -0.00 -0.12 -0.04 0.93 0.86 3k6mC1 LEU 324 HD23 0.05 0.00 -0.11 -0.04 0.89 0.80 3k6mC1 ILE 325 H -0.03 0.21 0.06 -0.55 8.25 7.94 3k6mC1 ILE 325 HA 0.03 0.31 0.87 -0.75 4.18 4.64 3k6mC1 ILE 325 HB 0.07 -0.12 -0.16 -0.04 1.89 1.63 3k6mC1 ILE 325 HG12 0.04 -0.01 -0.14 -0.04 1.49 1.33 3k6mC1 ILE 325 HG13 0.02 0.00 -0.18 -0.04 1.21 1.02 3k6mC1 ILE 325 HG23 0.03 -0.01 -0.42 -0.04 0.93 0.49 3k6mC1 ILE 325 HD13 0.23 -0.01 -0.05 -0.04 0.88 1.01 3k6mC1 ASN 326 H 0.06 0.44 0.15 -0.55 8.53 8.64 3k6mC1 ASN 326 HA -0.01 0.20 0.78 -0.75 4.76 4.97 3k6mC1 ASN 326 HB2 0.05 -0.07 0.17 -0.04 2.88 3.00 3k6mC1 ASN 326 HB3 0.07 0.17 0.01 -0.04 2.79 3.00 3k6mC1 ASN 326 HD21 0.24 0.01 -0.09 -0.04 7.03 7.15 3k6mC1 ASN 326 HD22 0.19 0.17 -0.05 -0.04 7.74 8.00 3k6mC1 ALA 327 H 0.04 0.29 0.15 -0.55 8.40 8.33 3k6mC1 ALA 327 HA 0.21 0.11 0.28 -0.75 4.34 4.19 3k6mC1 ALA 327 HB3 0.08 -0.01 0.15 -0.04 1.41 1.59 3k6mC1 GLY 328 H 0.08 0.08 -0.30 -0.55 8.43 7.74 3k6mC1 GLY 328 HA2 -0.03 0.18 0.76 -0.51 4.01 4.42 3k6mC1 GLY 328 HA3 0.04 0.00 0.31 -0.51 4.01 3.86 3k6mC1 LYS 329 H 0.15 0.50 -0.36 -0.55 8.42 8.15 3k6mC1 LYS 329 HA 0.14 0.08 0.21 -0.75 4.32 3.99 3k6mC1 LYS 329 HB2 0.04 0.23 -0.07 -0.04 1.87 2.03 3k6mC1 LYS 329 HB3 0.06 -0.11 0.14 -0.04 1.79 1.83 3k6mC1 LYS 329 HG2 0.06 -0.02 -0.11 -0.04 1.46 1.35 3k6mC1 LYS 329 HG3 0.02 0.01 -0.39 -0.04 1.46 1.05 3k6mC1 LYS 329 HD2 0.01 -0.04 -0.05 -0.04 1.69 1.56 3k6mC1 LYS 329 HD3 -0.12 -0.07 -0.05 -0.04 1.68 1.40 3k6mC1 LYS 329 HE2 -0.09 -0.02 -0.11 -0.04 2.99 2.73 3k6mC1 LYS 329 HE3 0.01 0.13 -0.21 -0.04 2.99 2.89 3k6mC1 GLU 330 H 0.06 -0.13 -0.30 -0.55 8.60 7.70 3k6mC1 GLU 330 HA -0.02 0.25 0.68 -0.75 4.29 4.45 3k6mC1 GLU 330 HB2 0.09 -0.14 -0.04 -0.04 2.09 1.96 3k6mC1 GLU 330 HB3 -0.13 0.17 -0.04 -0.04 1.99 1.95 3k6mC1 GLU 330 HG2 -0.03 0.08 -0.15 -0.04 2.34 2.19 3k6mC1 GLU 330 HG3 0.04 -0.10 -0.27 -0.04 2.34 1.96 3k6mC1 THR 331 H -0.05 0.34 0.30 -0.55 8.28 8.33 3k6mC1 THR 331 HA 0.01 0.20 0.72 -0.75 4.39 4.56 3k6mC1 THR 331 HB -0.00 0.07 0.14 -0.04 4.32 4.49 3k6mC1 THR 331 HG23 -0.02 0.04 0.08 -0.04 1.22 1.28 3k6mC1 VAL 332 H 0.04 0.49 0.32 -0.55 8.24 8.54 3k6mC1 VAL 332 HA 0.18 0.00 0.70 -0.75 4.13 4.26 3k6mC1 VAL 332 HB 0.13 0.00 -0.20 -0.04 2.12 2.01 3k6mC1 VAL 332 HG13 0.04 -0.04 -0.39 -0.04 0.97 0.53 3k6mC1 VAL 332 HG23 0.05 0.05 0.04 -0.04 0.95 1.04 3k6mC1 THR 333 H 0.04 0.43 0.00 -0.55 8.28 8.21 3k6mC1 THR 333 HA 0.02 0.13 0.65 -0.75 4.39 4.45 3k6mC1 THR 333 HB 0.01 0.03 0.11 -0.04 4.32 4.43 3k6mC1 THR 333 HG23 0.03 -0.01 -0.20 -0.04 1.22 1.00 3k6mC1 VAL 334 H 0.01 0.21 0.15 -0.55 8.24 8.05 3k6mC1 VAL 334 HA -0.04 0.15 0.88 -0.75 4.13 4.36 3k6mC1 VAL 334 HB -0.10 0.17 0.09 -0.04 2.12 2.24 3k6mC1 VAL 334 HG13 -0.09 -0.05 -0.25 -0.04 0.97 0.54 3k6mC1 VAL 334 HG23 -0.01 -0.02 -0.09 -0.04 0.95 0.78 3k6mC1 LEU 335 H -0.04 0.62 0.20 -0.55 8.37 8.61 3k6mC1 LEU 335 HA -0.02 0.09 0.55 -0.75 4.35 4.21 3k6mC1 LEU 335 HB2 -0.02 0.01 0.04 -0.04 1.64 1.63 3k6mC1 LEU 335 HB3 -0.02 0.05 0.13 -0.04 1.64 1.75 3k6mC1 LEU 335 HG -0.05 -0.00 -0.26 -0.04 1.64 1.29 3k6mC1 LEU 335 HD13 -0.07 0.00 0.03 -0.04 0.93 0.85 3k6mC1 LEU 335 HD23 -0.04 -0.00 -0.04 -0.04 0.89 0.77 3k6mC1 PRO 336 HA -0.01 -0.01 0.56 -0.51 4.44 4.47 3k6mC1 PRO 336 HB2 -0.00 0.04 0.04 -0.04 2.28 2.32 3k6mC1 PRO 336 HB3 -0.00 0.01 0.12 -0.04 2.02 2.11 3k6mC1 PRO 336 HG2 -0.01 0.06 0.10 -0.04 2.03 2.13 3k6mC1 PRO 336 HG3 -0.01 0.04 0.11 -0.04 2.03 2.12 3k6mC1 PRO 336 HD2 -0.01 0.12 0.21 -0.04 3.68 3.95 3k6mC1 PRO 336 HD3 -0.02 0.13 0.22 -0.04 3.65 3.94 3k6mC1 GLY 337 H -0.01 0.09 0.21 -0.55 8.43 8.18 3k6mC1 GLY 337 HA2 -0.02 -0.01 0.36 -0.51 4.01 3.84 3k6mC1 GLY 337 HA3 -0.01 0.09 0.43 -0.51 4.01 4.01 3k6mC1 ALA 338 H -0.06 0.12 -0.11 -0.55 8.40 7.80 3k6mC1 ALA 338 HA -0.09 0.18 0.68 -0.75 4.34 4.35 3k6mC1 ALA 338 HB3 -0.20 -0.02 0.14 -0.04 1.41 1.29 3k6mC1 SER 339 H -0.20 0.46 0.39 -0.55 8.46 8.56 3k6mC1 SER 339 HA -0.17 0.11 0.66 -0.75 4.49 4.33 3k6mC1 SER 339 HB2 0.07 0.03 0.07 -0.04 3.95 4.08 3k6mC1 SER 339 HB3 -0.02 0.12 -0.06 -0.04 3.93 3.93 3k6mC1 TYR 340 H -0.02 0.22 0.19 -0.55 8.29 8.13 3k6mC1 TYR 340 HA -0.53 0.32 1.01 -0.75 4.56 4.60 3k6mC1 TYR 340 HB2 -0.15 -0.05 0.07 -0.04 3.06 2.89 3k6mC1 TYR 340 HB3 -0.26 0.12 0.08 -0.04 2.98 2.87 3k6mC1 TYR 340 HD2 -0.17 0.10 -0.04 -0.04 7.15 6.99 3k6mC1 TYR 340 HE2 -0.11 0.01 -0.08 -0.04 6.85 6.64 3k6mC1 PHE 341 H -0.63 0.63 0.32 -0.55 8.34 8.11 3k6mC1 PHE 341 HA -0.11 0.13 0.61 -0.75 4.62 4.49 3k6mC1 PHE 341 HB2 -0.12 -0.14 0.04 -0.04 3.15 2.90 3k6mC1 PHE 341 HB3 -0.10 0.17 -0.05 -0.04 3.06 3.04 3k6mC1 PHE 341 HD2 -0.12 0.08 -0.43 -0.04 7.28 6.77 3k6mC1 PHE 341 HE2 -0.15 -0.00 -0.22 -0.04 7.38 6.97 3k6mC1 PHE 341 HZ -0.13 0.07 -0.40 -0.04 7.32 6.82 3k6mC1 SER 342 H 0.03 0.13 0.14 -0.55 8.46 8.21 3k6mC1 SER 342 HA -0.18 0.16 0.55 -0.75 4.49 4.27 3k6mC1 SER 342 HB2 -0.19 0.10 0.18 -0.04 3.95 3.99 3k6mC1 SER 342 HB3 -0.16 0.11 0.10 -0.04 3.93 3.94 3k6mC1 SER 343 H -0.27 0.66 0.19 -0.55 8.46 8.49 3k6mC1 SER 343 HA -0.10 0.15 0.31 -0.75 4.49 4.11 3k6mC1 SER 343 HB2 -1.00 0.06 -0.04 -0.04 3.95 2.94 3k6mC1 SER 343 HB3 -0.64 0.00 -0.02 -0.04 3.93 3.23 3k6mC1 ASP 344 H -0.20 0.19 -0.07 -0.55 8.40 7.78 3k6mC1 ASP 344 HA -0.04 0.09 0.43 -0.75 4.63 4.36 3k6mC1 ASP 344 HB2 -0.09 0.09 -0.06 -0.04 2.71 2.61 3k6mC1 ASP 344 HB3 -0.11 0.14 -0.02 -0.04 2.70 2.67 3k6mC1 GLU 345 H -0.05 0.06 -0.39 -0.55 8.60 7.67 3k6mC1 GLU 345 HA -0.10 0.00 0.42 -0.75 4.29 3.86 3k6mC1 GLU 345 HB2 0.03 0.00 0.04 -0.04 2.09 2.12 3k6mC1 GLU 345 HB3 -0.18 0.00 -0.04 -0.04 1.99 1.72 3k6mC1 GLU 345 HG2 -0.07 -0.08 -0.02 -0.04 2.34 2.13 3k6mC1 GLU 345 HG3 -0.04 0.01 0.03 -0.04 2.34 2.30 3k6mC1 SER 346 H 0.04 0.53 -0.18 -0.55 8.46 8.30 3k6mC1 SER 346 HA -0.08 0.06 0.36 -0.75 4.49 4.08 3k6mC1 SER 346 HB2 0.11 0.04 -0.03 -0.04 3.95 4.03 3k6mC1 SER 346 HB3 -0.10 0.08 0.16 -0.04 3.93 4.03 3k6mC1 PHE 347 H 0.12 0.56 -0.17 -0.55 8.34 8.29 3k6mC1 PHE 347 HA 0.00 0.02 0.75 -0.75 4.62 4.64 3k6mC1 PHE 347 HB2 -0.03 0.18 0.14 -0.04 3.15 3.40 3k6mC1 PHE 347 HB3 0.01 -0.06 0.10 -0.04 3.06 3.07 3k6mC1 PHE 347 HD2 -0.00 0.17 0.04 -0.04 7.28 7.44 3k6mC1 PHE 347 HE2 0.08 0.05 0.01 -0.04 7.38 7.48 3k6mC1 PHE 347 HZ 0.11 -0.11 0.01 -0.04 7.32 7.28 3k6mC1 ALA 348 H 0.01 0.47 -0.21 -0.55 8.40 8.12 3k6mC1 ALA 348 HA 0.02 0.06 0.64 -0.75 4.34 4.31 3k6mC1 ALA 348 HB3 -0.07 0.04 0.08 -0.04 1.41 1.42 3k6mC1 MET 349 H -0.13 0.47 -0.23 -0.55 8.47 8.03 3k6mC1 MET 349 HA -0.10 0.08 0.33 -0.75 4.52 4.08 3k6mC1 MET 349 HB2 -0.36 0.06 0.08 -0.04 2.15 1.90 3k6mC1 MET 349 HB3 -0.21 0.17 0.12 -0.04 2.03 2.07 3k6mC1 MET 349 HG2 -0.14 -0.05 -0.21 -0.04 2.63 2.18 3k6mC1 MET 349 HG3 -0.33 0.03 -0.04 -0.04 2.56 2.18 3k6mC1 MET 349 HE3 -0.90 0.00 -0.13 -0.04 2.10 1.03 3k6mC1 ILE 350 H -0.05 0.32 -0.23 -0.55 8.25 7.73 3k6mC1 ILE 350 HA 0.01 0.06 0.41 -0.75 4.18 3.91 3k6mC1 ILE 350 HB -0.01 -0.04 0.15 -0.04 1.89 1.95 3k6mC1 ILE 350 HG12 -0.06 0.01 -0.06 -0.04 1.49 1.34 3k6mC1 ILE 350 HG13 -0.16 0.12 -0.02 -0.04 1.21 1.11 3k6mC1 ILE 350 HG23 0.11 0.00 -0.30 -0.04 0.93 0.70 3k6mC1 ILE 350 HD13 -0.47 -0.04 -0.11 -0.04 0.88 0.21 3k6mC1 ARG 351 H 0.11 0.64 -0.00 -0.55 8.46 8.66 3k6mC1 ARG 351 HA 0.10 0.00 0.40 -0.75 4.34 4.08 3k6mC1 ARG 351 HB2 0.15 0.00 0.17 -0.04 1.90 2.17 3k6mC1 ARG 351 HB3 0.09 0.00 0.09 -0.04 1.80 1.94 3k6mC1 ARG 351 HG2 0.12 0.06 0.07 -0.04 1.67 1.88 3k6mC1 ARG 351 HG3 0.13 -0.11 0.10 -0.04 1.67 1.74 3k6mC1 ARG 351 HD2 0.11 0.11 0.00 -0.04 3.22 3.40 3k6mC1 ARG 351 HD3 0.18 -0.17 0.08 -0.04 3.22 3.27 3k6mC1 GLY 352 H 0.09 0.39 -0.57 -0.55 8.43 7.80 3k6mC1 GLY 352 HA2 0.00 0.10 0.57 -0.51 4.01 4.17 3k6mC1 GLY 352 HA3 0.06 0.08 0.30 -0.51 4.01 3.94 3k6mC1 GLY 353 H -0.01 0.32 -0.42 -0.55 8.43 7.78 3k6mC1 GLY 353 HA2 -0.04 0.00 0.25 -0.51 4.01 3.71 3k6mC1 GLY 353 HA3 -0.11 0.06 0.43 -0.51 4.01 3.88 3k6mC1 HIS 354 H -0.00 0.35 -0.03 -0.55 8.41 8.18 3k6mC1 HIS 354 HA -0.07 0.13 0.41 -0.75 4.63 4.35 3k6mC1 HIS 354 HB2 -0.14 0.03 0.04 -0.04 3.26 3.15 3k6mC1 HIS 354 HB3 -0.19 -0.05 0.04 -0.04 3.20 2.96 3k6mC1 HIS 354 HD2 -0.08 0.07 0.02 -0.04 6.97 6.92 3k6mC1 HIS 354 HE1 -0.07 -0.02 -0.04 -0.04 7.75 7.57 3k6mC1 VAL 355 H 0.03 0.05 -0.20 -0.55 8.24 7.57 3k6mC1 VAL 355 HA 0.08 0.10 0.71 -0.75 4.13 4.26 3k6mC1 VAL 355 HB 0.03 -0.00 -0.01 -0.04 2.12 2.10 3k6mC1 VAL 355 HG13 0.07 -0.03 -0.19 -0.04 0.97 0.77 3k6mC1 VAL 355 HG23 -0.00 -0.01 -0.21 -0.04 0.95 0.68 3k6mC1 ASN 356 H 0.14 0.44 0.35 -0.55 8.53 8.92 3k6mC1 ASN 356 HA 0.06 0.24 0.40 -0.75 4.76 4.70 3k6mC1 ASN 356 HB2 0.10 0.02 0.21 -0.04 2.88 3.18 3k6mC1 ASN 356 HB3 0.08 -0.01 0.15 -0.04 2.79 2.97 3k6mC1 ASN 356 HD21 0.13 0.01 0.04 -0.04 7.03 7.17 3k6mC1 ASN 356 HD22 0.07 0.11 -0.07 -0.04 7.74 7.82 3k6mC1 LEU 357 H 0.09 0.25 0.21 -0.55 8.37 8.38 3k6mC1 LEU 357 HA 0.07 0.30 0.95 -0.75 4.35 4.90 3k6mC1 LEU 357 HB2 0.09 0.09 -0.24 -0.04 1.64 1.53 3k6mC1 LEU 357 HB3 0.13 -0.10 0.00 -0.04 1.64 1.63 3k6mC1 LEU 357 HG 0.07 0.11 -0.04 -0.04 1.64 1.74 3k6mC1 LEU 357 HD13 0.06 0.01 -0.12 -0.04 0.93 0.84 3k6mC1 LEU 357 HD23 0.14 -0.05 -0.38 -0.04 0.89 0.56 3k6mC1 THR 358 H 0.06 0.88 0.37 -0.55 8.28 9.05 3k6mC1 THR 358 HA 0.08 0.16 0.85 -0.75 4.39 4.73 3k6mC1 THR 358 HB 0.06 0.01 -0.01 -0.04 4.32 4.34 3k6mC1 THR 358 HG23 0.06 0.04 -0.08 -0.04 1.22 1.20 3k6mC1 MET 359 H 0.08 0.57 0.28 -0.55 8.47 8.85 3k6mC1 MET 359 HA 0.04 0.00 0.93 -0.75 4.52 4.74 3k6mC1 MET 359 HB2 0.11 0.00 0.08 -0.04 2.15 2.30 3k6mC1 MET 359 HB3 0.07 0.00 0.11 -0.04 2.03 2.16 3k6mC1 MET 359 HG2 -0.01 0.00 -0.07 -0.04 2.63 2.51 3k6mC1 MET 359 HG3 0.00 0.11 0.03 -0.04 2.56 2.67 3k6mC1 MET 359 HE3 -0.14 0.02 -0.16 -0.04 2.10 1.78 3k6mC1 LEU 360 H 0.04 0.76 0.40 -0.55 8.37 9.02 3k6mC1 LEU 360 HA 0.06 -0.00 0.86 -0.75 4.35 4.51 3k6mC1 LEU 360 HB2 0.05 0.06 -0.02 -0.04 1.64 1.69 3k6mC1 LEU 360 HB3 0.07 0.08 0.05 -0.04 1.64 1.80 3k6mC1 LEU 360 HG 0.06 0.01 -0.41 -0.04 1.64 1.26 3k6mC1 LEU 360 HD13 0.07 0.01 -0.14 -0.04 0.93 0.83 3k6mC1 LEU 360 HD23 0.07 -0.00 -0.11 -0.04 0.89 0.81 3k6mC1 GLY 361 H 0.06 0.16 0.17 -0.55 8.43 8.27 3k6mC1 GLY 361 HA2 0.03 0.33 0.93 -0.51 4.01 4.80 3k6mC1 GLY 361 HA3 0.05 -0.01 0.45 -0.51 4.01 3.98 3k6mC1 ALA 362 H 0.03 0.26 0.18 -0.55 8.40 8.33 3k6mC1 ALA 362 HA 0.06 0.10 0.73 -0.75 4.34 4.47 3k6mC1 ALA 362 HB3 0.02 0.04 -0.23 -0.04 1.41 1.21 3k6mC1 MET 363 H 0.04 0.47 0.42 -0.55 8.47 8.85 3k6mC1 MET 363 HA 0.01 0.00 0.88 -0.75 4.52 4.66 3k6mC1 MET 363 HB2 0.01 0.00 0.03 -0.04 2.15 2.14 3k6mC1 MET 363 HB3 -0.00 0.00 0.00 -0.04 2.03 1.99 3k6mC1 MET 363 HG2 0.02 0.00 -0.07 -0.04 2.63 2.54 3k6mC1 MET 363 HG3 0.05 -0.06 -0.08 -0.04 2.56 2.43 3k6mC1 MET 363 HE3 0.05 0.03 -0.39 -0.04 2.10 1.76 3k6mC1 GLN 364 H 0.01 0.38 0.32 -0.55 8.47 8.64 3k6mC1 GLN 364 HA -0.02 0.34 0.56 -0.75 4.36 4.49 3k6mC1 GLN 364 HB2 -0.01 -0.17 0.03 -0.04 2.15 1.96 3k6mC1 GLN 364 HB3 -0.01 0.08 -0.01 -0.04 2.02 2.04 3k6mC1 GLN 364 HG2 -0.01 0.21 0.16 -0.04 2.40 2.72 3k6mC1 GLN 364 HG3 -0.01 -0.08 -0.46 -0.04 2.39 1.80 3k6mC1 GLN 364 HE21 -0.01 -0.04 0.00 -0.04 6.97 6.88 3k6mC1 GLN 364 HE22 -0.01 0.16 0.00 -0.04 7.69 7.81 3k6mC1 VAL 365 H -0.05 0.67 0.24 -0.55 8.24 8.55 3k6mC1 VAL 365 HA -0.01 0.25 0.87 -0.75 4.13 4.49 3k6mC1 VAL 365 HB -0.09 -0.02 -0.03 -0.04 2.12 1.95 3k6mC1 VAL 365 HG13 -0.04 0.08 -0.11 -0.04 0.97 0.85 3k6mC1 VAL 365 HG23 -0.01 -0.03 -0.29 -0.04 0.95 0.57 3k6mC1 SER 366 H -0.02 0.44 0.16 -0.55 8.46 8.50 3k6mC1 SER 366 HA -0.07 0.37 0.73 -0.75 4.49 4.77 3k6mC1 SER 366 HB2 -0.01 0.30 0.04 -0.04 3.95 4.24 3k6mC1 SER 366 HB3 0.00 -0.10 0.02 -0.04 3.93 3.81 3k6mC1 LYS 367 H -0.14 0.47 0.25 -0.55 8.42 8.45 3k6mC1 LYS 367 HA -0.27 0.06 0.36 -0.75 4.32 3.72 3k6mC1 LYS 367 HB2 -0.25 0.01 0.14 -0.04 1.87 1.73 3k6mC1 LYS 367 HB3 -0.47 0.04 0.22 -0.04 1.79 1.53 3k6mC1 LYS 367 HG2 -1.08 0.00 -0.14 -0.04 1.46 0.20 3k6mC1 LYS 367 HG3 -0.35 0.01 0.11 -0.04 1.46 1.19 3k6mC1 LYS 367 HD2 -0.19 -0.07 0.08 -0.04 1.69 1.46 3k6mC1 LYS 367 HD3 -0.37 0.02 0.04 -0.04 1.68 1.32 3k6mC1 LYS 367 HE2 -0.26 0.05 -0.05 -0.04 2.99 2.69 3k6mC1 LYS 367 HE3 -0.13 0.06 0.01 -0.04 2.99 2.89 3k6mC1 TYR 368 H -0.06 0.01 -0.19 -0.55 8.29 7.50 3k6mC1 TYR 368 HA -0.01 0.32 0.72 -0.75 4.56 4.83 3k6mC1 TYR 368 HB2 -0.00 -0.12 0.08 -0.04 3.06 2.98 3k6mC1 TYR 368 HB3 0.00 0.12 0.21 -0.04 2.98 3.28 3k6mC1 TYR 368 HD2 0.00 0.01 -0.11 -0.04 7.15 7.01 3k6mC1 TYR 368 HE2 0.00 0.05 -0.26 -0.04 6.85 6.60 3k6mC1 GLY 369 H -0.00 0.27 -0.36 -0.55 8.43 7.79 3k6mC1 GLY 369 HA2 0.01 0.13 0.16 -0.51 4.01 3.79 3k6mC1 GLY 369 HA3 0.05 0.28 0.43 -0.51 4.01 4.26 3k6mC1 ASP 370 H 0.05 0.03 0.01 -0.55 8.40 7.95 3k6mC1 ASP 370 HA 0.05 0.12 0.73 -0.75 4.63 4.78 3k6mC1 ASP 370 HB2 0.03 -0.12 0.11 -0.04 2.71 2.69 3k6mC1 ASP 370 HB3 0.04 0.15 0.16 -0.04 2.70 3.01 3k6mC1 LEU 371 H 0.06 0.59 0.39 -0.55 8.37 8.86 3k6mC1 LEU 371 HA 0.04 0.29 1.00 -0.75 4.35 4.92 3k6mC1 LEU 371 HB2 0.05 0.10 -0.08 -0.04 1.64 1.67 3k6mC1 LEU 371 HB3 0.08 -0.08 0.11 -0.04 1.64 1.70 3k6mC1 LEU 371 HG 0.10 -0.17 -0.29 -0.04 1.64 1.24 3k6mC1 LEU 371 HD13 0.05 0.08 -0.01 -0.04 0.93 1.01 3k6mC1 LEU 371 HD23 0.08 0.01 -0.13 -0.04 0.89 0.81 3k6mC1 ALA 372 H 0.05 0.74 0.31 -0.55 8.40 8.94 3k6mC1 ALA 372 HA 0.13 0.04 0.88 -0.75 4.34 4.63 3k6mC1 ALA 372 HB3 -0.00 0.03 -0.05 -0.04 1.41 1.35 3k6mC1 ASN 373 H 0.28 0.16 0.11 -0.55 8.53 8.53 3k6mC1 ASN 373 HA 0.09 0.05 0.47 -0.75 4.76 4.62 3k6mC1 ASN 373 HB2 0.12 -0.00 0.09 -0.04 2.88 3.04 3k6mC1 ASN 373 HB3 0.10 0.05 -0.10 -0.04 2.79 2.80 3k6mC1 ASN 373 HD21 0.11 -0.11 -0.00 -0.04 7.03 6.99 3k6mC1 ASN 373 HD22 0.10 0.43 0.04 -0.04 7.74 8.26 3k6mC1 TRP 374 H 0.06 0.13 0.10 -0.55 7.97 7.72 3k6mC1 TRP 374 HA 0.06 0.36 0.98 -0.75 4.62 5.27 3k6mC1 TRP 374 HB2 0.04 -0.20 -0.32 -0.04 3.23 2.71 3k6mC1 TRP 374 HB3 0.06 0.01 -0.33 -0.04 3.23 2.93 3k6mC1 TRP 374 HD1 0.04 -0.20 -0.13 -0.04 7.22 6.89 3k6mC1 TRP 374 HE1 0.02 0.42 -0.47 -0.04 10.20 10.14 3k6mC1 TRP 374 HE3 0.03 -0.18 -0.09 -0.04 7.59 7.32 3k6mC1 TRP 374 HZ2 0.02 -0.03 -0.01 -0.04 7.44 7.37 3k6mC1 TRP 374 HZ3 0.05 0.07 -0.02 -0.04 7.13 7.19 3k6mC1 TRP 374 HH2 0.03 0.07 -0.01 -0.04 7.19 7.24 3k6mC1 MET 375 H -0.30 0.17 0.10 -0.55 8.47 7.89 3k6mC1 MET 375 HA -0.07 0.17 0.81 -0.75 4.52 4.68 3k6mC1 MET 375 HB2 -0.33 -0.00 -0.20 -0.04 2.15 1.57 3k6mC1 MET 375 HB3 -0.98 -0.02 -0.04 -0.04 2.03 0.95 3k6mC1 MET 375 HG2 -0.21 -0.02 -0.50 -0.04 2.63 1.85 3k6mC1 MET 375 HG3 -0.06 0.09 -0.07 -0.04 2.56 2.48 3k6mC1 MET 375 HE3 0.29 0.00 -0.03 -0.04 2.10 2.33 3k6mC1 ILE 376 H -0.07 0.66 0.23 -0.55 8.25 8.53 3k6mC1 ILE 376 HA -0.11 0.20 0.78 -0.75 4.18 4.30 3k6mC1 ILE 376 HB -0.04 -0.11 0.19 -0.04 1.89 1.89 3k6mC1 ILE 376 HG12 -0.05 0.06 -0.02 -0.04 1.49 1.44 3k6mC1 ILE 376 HG13 -0.04 -0.12 -0.18 -0.04 1.21 0.83 3k6mC1 ILE 376 HG23 -0.05 0.05 -0.05 -0.04 0.93 0.85 3k6mC1 ILE 376 HD13 -0.02 0.01 -0.05 -0.04 0.88 0.78 3k6mC1 PRO 377 HA -0.04 -0.06 0.37 -0.51 4.44 4.19 3k6mC1 PRO 377 HB2 -0.05 0.07 0.10 -0.04 2.28 2.37 3k6mC1 PRO 377 HB3 -0.02 0.08 0.08 -0.04 2.02 2.12 3k6mC1 PRO 377 HG2 -0.09 0.12 0.10 -0.04 2.03 2.12 3k6mC1 PRO 377 HG3 -0.15 -0.00 0.07 -0.04 2.03 1.91 3k6mC1 PRO 377 HD2 -0.09 0.15 0.18 -0.04 3.68 3.87 3k6mC1 PRO 377 HD3 -0.17 0.19 0.04 -0.04 3.65 3.67 3k6mC1 GLY 378 H -0.06 0.09 0.16 -0.55 8.43 8.08 3k6mC1 GLY 378 HA2 -0.27 0.05 0.34 -0.51 4.01 3.62 3k6mC1 GLY 378 HA3 -0.15 0.14 0.44 -0.51 4.01 3.93 3k6mC1 LYS 379 H -0.06 0.36 -0.19 -0.55 8.42 7.97 3k6mC1 LYS 379 HA -0.06 0.20 0.91 -0.75 4.32 4.63 3k6mC1 LYS 379 HB2 -0.04 -0.02 -0.07 -0.04 1.87 1.70 3k6mC1 LYS 379 HB3 -0.03 -0.08 -0.06 -0.04 1.79 1.58 3k6mC1 LYS 379 HG2 -0.05 0.02 -0.13 -0.04 1.46 1.26 3k6mC1 LYS 379 HG3 -0.06 0.10 -0.42 -0.04 1.46 1.04 3k6mC1 LYS 379 HD2 -0.04 -0.01 -0.10 -0.04 1.69 1.50 3k6mC1 LYS 379 HD3 -0.04 -0.07 -0.06 -0.04 1.68 1.47 3k6mC1 LYS 379 HE2 -0.04 -0.00 -0.05 -0.04 2.99 2.86 3k6mC1 LYS 379 HE3 -0.05 0.07 -0.05 -0.04 2.99 2.93 3k6mC1 LEU 380 H -0.02 0.50 0.19 -0.55 8.37 8.50 3k6mC1 LEU 380 HA 0.02 0.16 0.75 -0.75 4.35 4.53 3k6mC1 LEU 380 HB2 -0.00 0.15 -0.15 -0.04 1.64 1.60 3k6mC1 LEU 380 HB3 -0.01 -0.10 0.04 -0.04 1.64 1.54 3k6mC1 LEU 380 HG 0.02 -0.07 -0.42 -0.04 1.64 1.13 3k6mC1 LEU 380 HD13 0.02 0.00 -0.02 -0.04 0.93 0.89 3k6mC1 LEU 380 HD23 0.02 -0.01 -0.12 -0.04 0.89 0.74 3k6mC1 VAL 381 H 0.08 0.25 0.03 -0.55 8.24 8.05 3k6mC1 VAL 381 HA 0.10 0.14 1.02 -0.75 4.13 4.64 3k6mC1 VAL 381 HB 0.28 0.03 0.07 -0.04 2.12 2.45 3k6mC1 VAL 381 HG13 0.21 0.01 -0.19 -0.04 0.97 0.96 3k6mC1 VAL 381 HG23 0.29 0.02 -0.20 -0.04 0.95 1.02 3k6mC1 LYS 382 H 0.09 0.47 0.24 -0.55 8.42 8.67 3k6mC1 LYS 382 HA -0.24 0.04 0.88 -0.75 4.32 4.25 3k6mC1 LYS 382 HB2 0.14 0.12 0.14 -0.04 1.87 2.23 3k6mC1 LYS 382 HB3 0.13 0.01 0.09 -0.04 1.79 1.98 3k6mC1 LYS 382 HG2 0.04 -0.05 -0.29 -0.04 1.46 1.13 3k6mC1 LYS 382 HG3 0.11 0.03 -0.11 -0.04 1.46 1.45 3k6mC1 LYS 382 HD2 0.11 -0.04 0.05 -0.04 1.69 1.77 3k6mC1 LYS 382 HD3 -0.06 0.01 0.01 -0.04 1.68 1.60 3k6mC1 LYS 382 HE2 0.05 0.03 -0.08 -0.04 2.99 2.95 3k6mC1 LYS 382 HE3 0.11 0.02 -0.05 -0.04 2.99 3.03 3k6mC1 GLY 383 H 0.27 0.38 0.24 -0.55 8.43 8.77 3k6mC1 GLY 383 HA2 0.24 0.02 0.41 -0.51 4.01 4.17 3k6mC1 GLY 383 HA3 0.02 0.18 0.82 -0.51 4.01 4.52 3k6mC1 MET 384 H -0.14 0.19 0.17 -0.55 8.47 8.14 3k6mC1 MET 384 HA 0.13 0.15 0.50 -0.75 4.52 4.54 3k6mC1 MET 384 HB2 -0.22 -0.13 0.10 -0.04 2.15 1.86 3k6mC1 MET 384 HB3 -0.83 0.05 0.06 -0.04 2.03 1.27 3k6mC1 MET 384 HG2 -0.17 0.10 -0.08 -0.04 2.63 2.44 3k6mC1 MET 384 HG3 -0.35 -0.04 -0.01 -0.04 2.56 2.12 3k6mC1 MET 384 HE3 -1.19 0.03 -0.10 -0.04 2.10 0.81 3k6mC1 GLY 385 H 0.07 0.72 0.00 -0.55 8.43 8.68 3k6mC1 GLY 385 HA2 0.09 0.06 0.24 -0.51 4.01 3.89 3k6mC1 GLY 385 HA3 0.11 0.03 0.46 -0.51 4.01 4.10 3k6mC1 GLY 386 H 0.18 0.19 0.24 -0.55 8.43 8.49 3k6mC1 GLY 386 HA2 0.13 -0.05 0.71 -0.51 4.01 4.29 3k6mC1 GLY 386 HA3 0.45 0.09 0.39 -0.51 4.01 4.42 3k6mC1 ALA 387 H 0.09 0.62 -0.06 -0.55 8.40 8.50 3k6mC1 ALA 387 HA 0.11 0.05 0.29 -0.75 4.34 4.03 3k6mC1 ALA 387 HB3 0.09 0.04 0.08 -0.04 1.41 1.58 3k6mC1 MET 388 H -0.01 0.13 -0.15 -0.55 8.47 7.89 3k6mC1 MET 388 HA 0.03 0.27 0.47 -0.75 4.52 4.53 3k6mC1 MET 388 HB2 -0.07 -0.10 0.04 -0.04 2.15 1.98 3k6mC1 MET 388 HB3 -0.02 -0.06 0.09 -0.04 2.03 2.00 3k6mC1 MET 388 HG2 -0.05 0.41 0.17 -0.04 2.63 3.12 3k6mC1 MET 388 HG3 -0.16 -0.13 0.08 -0.04 2.56 2.31 3k6mC1 MET 388 HE3 -0.49 0.01 0.09 -0.04 2.10 1.68 3k6mC1 ASP 389 H 0.07 0.06 -0.31 -0.55 8.40 7.67 3k6mC1 ASP 389 HA 0.10 0.07 0.50 -0.75 4.63 4.54 3k6mC1 ASP 389 HB2 0.33 0.10 0.16 -0.04 2.71 3.26 3k6mC1 ASP 389 HB3 0.33 0.06 -0.02 -0.04 2.70 3.02 3k6mC1 LEU 390 H 0.15 0.40 -0.07 -0.55 8.37 8.30 3k6mC1 LEU 390 HA 0.10 0.07 0.34 -0.75 4.35 4.10 3k6mC1 LEU 390 HB2 0.10 0.02 0.04 -0.04 1.64 1.76 3k6mC1 LEU 390 HB3 0.08 0.04 -0.04 -0.04 1.64 1.68 3k6mC1 LEU 390 HG 0.17 -0.03 -0.01 -0.04 1.64 1.74 3k6mC1 LEU 390 HD13 0.10 -0.05 -0.18 -0.04 0.93 0.76 3k6mC1 LEU 390 HD23 0.03 0.01 -0.05 -0.04 0.89 0.84 3k6mC1 VAL 391 H 0.08 0.31 -0.37 -0.55 8.24 7.71 3k6mC1 VAL 391 HA 0.06 0.28 0.77 -0.75 4.13 4.48 3k6mC1 VAL 391 HB 0.06 0.05 0.09 -0.04 2.12 2.28 3k6mC1 VAL 391 HG13 0.07 -0.01 -0.12 -0.04 0.97 0.87 3k6mC1 VAL 391 HG23 0.06 -0.01 -0.11 -0.04 0.95 0.86 3k6mC1 SER 392 H 0.07 0.28 -0.54 -0.55 8.46 7.72 3k6mC1 SER 392 HA 0.04 0.00 0.43 -0.75 4.49 4.21 3k6mC1 SER 392 HB2 0.06 0.00 0.01 -0.04 3.95 3.97 3k6mC1 SER 392 HB3 0.07 0.00 0.16 -0.04 3.93 4.11 3k6mC1 SER 393 H 0.05 0.21 -0.18 -0.55 8.46 8.00 3k6mC1 SER 393 HA 0.03 0.00 0.93 -0.75 4.49 4.70 3k6mC1 SER 393 HB2 0.03 0.00 0.05 -0.04 3.95 3.99 3k6mC1 SER 393 HB3 0.03 0.00 0.07 -0.04 3.93 3.99 3k6mC1 ALA 394 H 0.01 0.21 0.15 -0.55 8.40 8.22 3k6mC1 ALA 394 HA 0.02 0.15 0.40 -0.75 4.34 4.15 3k6mC1 ALA 394 HB3 0.01 0.02 0.10 -0.04 1.41 1.49 3k6mC1 LYS 395 H 0.01 -0.06 -0.43 -0.55 8.42 7.39 3k6mC1 LYS 395 HA 0.01 0.16 0.64 -0.75 4.32 4.38 3k6mC1 LYS 395 HB2 -0.02 -0.05 0.07 -0.04 1.87 1.82 3k6mC1 LYS 395 HB3 -0.02 0.10 0.16 -0.04 1.79 1.99 3k6mC1 LYS 395 HG2 -0.01 0.02 -0.04 -0.04 1.46 1.39 3k6mC1 LYS 395 HG3 -0.01 -0.15 -0.02 -0.04 1.46 1.23 3k6mC1 LYS 395 HD2 -0.04 -0.05 0.01 -0.04 1.69 1.57 3k6mC1 LYS 395 HD3 -0.09 0.07 0.06 -0.04 1.68 1.68 3k6mC1 LYS 395 HE2 -0.05 0.14 0.06 -0.04 2.99 3.10 3k6mC1 LYS 395 HE3 -0.02 -0.04 0.03 -0.04 2.99 2.91 3k6mC1 THR 396 H 0.02 0.33 -0.33 -0.55 8.28 7.75 3k6mC1 THR 396 HA 0.04 0.35 0.85 -0.75 4.39 4.88 3k6mC1 THR 396 HB 0.04 -0.02 0.09 -0.04 4.32 4.39 3k6mC1 THR 396 HG23 0.05 -0.03 -0.37 -0.04 1.22 0.83 3k6mC1 LYS 397 H 0.04 0.63 0.35 -0.55 8.42 8.88 3k6mC1 LYS 397 HA 0.04 0.07 0.59 -0.75 4.32 4.26 3k6mC1 LYS 397 HB2 0.04 0.06 0.15 -0.04 1.87 2.07 3k6mC1 LYS 397 HB3 0.05 0.03 0.25 -0.04 1.79 2.08 3k6mC1 LYS 397 HG2 0.04 -0.10 -0.32 -0.04 1.46 1.04 3k6mC1 LYS 397 HG3 0.03 -0.03 0.02 -0.04 1.46 1.45 3k6mC1 LYS 397 HD2 0.03 0.02 -0.01 -0.04 1.69 1.69 3k6mC1 LYS 397 HD3 0.04 0.04 -0.02 -0.04 1.68 1.69 3k6mC1 LYS 397 HE2 0.02 -0.03 -0.10 -0.04 2.99 2.84 3k6mC1 LYS 397 HE3 0.02 -0.04 -0.13 -0.04 2.99 2.80 3k6mC1 VAL 398 H 0.04 0.19 0.27 -0.55 8.24 8.18 3k6mC1 VAL 398 HA 0.05 0.23 1.04 -0.75 4.13 4.69 3k6mC1 VAL 398 HB 0.04 0.10 0.35 -0.04 2.12 2.57 3k6mC1 VAL 398 HG13 0.05 -0.06 -0.23 -0.04 0.97 0.69 3k6mC1 VAL 398 HG23 0.05 0.04 -0.07 -0.04 0.95 0.93 3k6mC1 VAL 399 H 0.04 0.70 0.39 -0.55 8.24 8.82 3k6mC1 VAL 399 HA 0.02 0.23 1.01 -0.75 4.13 4.64 3k6mC1 VAL 399 HB 0.00 -0.08 0.13 -0.04 2.12 2.13 3k6mC1 VAL 399 HG13 -0.02 -0.00 -0.20 -0.04 0.97 0.70 3k6mC1 VAL 399 HG23 0.01 0.02 -0.16 -0.04 0.95 0.78 3k6mC1 VAL 400 H 0.02 0.70 0.37 -0.55 8.24 8.77 3k6mC1 VAL 400 HA 0.02 0.27 1.07 -0.75 4.13 4.74 3k6mC1 VAL 400 HB 0.01 0.03 0.14 -0.04 2.12 2.26 3k6mC1 VAL 400 HG13 0.01 -0.02 -0.36 -0.04 0.97 0.56 3k6mC1 VAL 400 HG23 0.03 -0.00 -0.17 -0.04 0.95 0.76 3k6mC1 THR 401 H 0.01 0.62 0.29 -0.55 8.28 8.66 3k6mC1 THR 401 HA -0.01 0.36 0.95 -0.75 4.39 4.93 3k6mC1 THR 401 HB -0.03 -0.01 -0.10 -0.04 4.32 4.15 3k6mC1 THR 401 HG23 -0.03 0.02 -0.20 -0.04 1.22 0.96 3k6mC1 MET 402 H -0.01 0.76 0.31 -0.55 8.47 8.98 3k6mC1 MET 402 HA -0.00 0.00 0.83 -0.75 4.52 4.60 3k6mC1 MET 402 HB2 -0.00 0.00 0.06 -0.04 2.15 2.16 3k6mC1 MET 402 HB3 0.00 0.00 -0.35 -0.04 2.03 1.64 3k6mC1 MET 402 HG2 -0.02 -0.02 -0.23 -0.04 2.63 2.32 3k6mC1 MET 402 HG3 -0.04 0.00 -0.47 -0.04 2.56 2.01 3k6mC1 MET 402 HE3 -0.02 0.07 -0.32 -0.04 2.10 1.79 3k6mC1 GLU 403 H -0.00 0.13 0.16 -0.55 8.60 8.34 3k6mC1 GLU 403 HA 0.00 -0.06 0.71 -0.75 4.29 4.18 3k6mC1 GLU 403 HB2 0.01 0.05 0.14 -0.04 2.09 2.25 3k6mC1 GLU 403 HB3 0.01 0.09 0.09 -0.04 1.99 2.14 3k6mC1 GLU 403 HG2 -0.02 -0.02 0.05 -0.04 2.34 2.31 3k6mC1 GLU 403 HG3 -0.01 -0.06 0.07 -0.04 2.34 2.29 3k6mC1 HIS 404 H 0.10 0.01 0.22 -0.55 8.41 8.20 3k6mC1 HIS 404 HA 0.02 0.08 0.24 -0.75 4.63 4.21 3k6mC1 HIS 404 HB2 -0.01 -0.24 0.21 -0.04 3.26 3.18 3k6mC1 HIS 404 HB3 0.01 0.06 0.13 -0.04 3.20 3.35 3k6mC1 HIS 404 HD2 0.06 0.21 -0.09 -0.04 6.97 7.11 3k6mC1 HIS 404 HE1 0.17 -0.01 -0.10 -0.04 7.75 7.77 3k6mC1 SER 405 H 0.11 0.02 -0.02 -0.55 8.46 8.03 3k6mC1 SER 405 HA 0.09 0.15 0.90 -0.75 4.49 4.87 3k6mC1 SER 405 HB2 0.08 -0.12 -0.02 -0.04 3.95 3.84 3k6mC1 SER 405 HB3 0.09 0.15 -0.15 -0.04 3.93 3.98 3k6mC1 ALA 406 H 0.03 0.79 0.12 -0.55 8.40 8.79 3k6mC1 ALA 406 HA 0.01 0.07 0.73 -0.75 4.34 4.40 3k6mC1 ALA 406 HB3 0.00 0.00 0.06 -0.04 1.41 1.43 3k6mC1 LYS 407 H -0.00 0.10 0.13 -0.55 8.42 8.09 3k6mC1 LYS 407 HA -0.00 -0.01 0.42 -0.75 4.32 3.97 3k6mC1 LYS 407 HB2 -0.00 -0.01 0.15 -0.04 1.87 1.97 3k6mC1 LYS 407 HB3 -0.01 0.04 0.09 -0.04 1.79 1.87 3k6mC1 LYS 407 HG2 -0.01 0.05 -0.07 -0.04 1.46 1.39 3k6mC1 LYS 407 HG3 -0.00 -0.02 0.08 -0.04 1.46 1.47 3k6mC1 LYS 407 HD2 -0.00 -0.02 0.02 -0.04 1.69 1.65 3k6mC1 LYS 407 HD3 -0.01 0.03 -0.02 -0.04 1.68 1.64 3k6mC1 LYS 407 HE2 -0.01 0.03 -0.01 -0.04 2.99 2.96 3k6mC1 LYS 407 HE3 -0.01 -0.02 0.01 -0.04 2.99 2.94 3k6mC1 GLY 408 H -0.01 0.10 0.20 -0.55 8.43 8.17 3k6mC1 GLY 408 HA2 -0.01 0.03 0.33 -0.51 4.01 3.84 3k6mC1 GLY 408 HA3 -0.02 0.12 0.55 -0.51 4.01 4.15 3k6mC1 ASN 409 H -0.00 0.07 -0.01 -0.55 8.53 8.04 3k6mC1 ASN 409 HA 0.02 -0.01 0.22 -0.75 4.76 4.23 3k6mC1 ASN 409 HB2 0.00 -0.10 -0.06 -0.04 2.88 2.67 3k6mC1 ASN 409 HB3 -0.02 0.16 0.09 -0.04 2.79 2.97 3k6mC1 ASN 409 HD21 0.09 0.28 0.09 -0.04 7.03 7.45 3k6mC1 ASN 409 HD22 0.00 -0.02 0.08 -0.04 7.74 7.76 3k6mC1 ALA 410 H -0.03 0.19 -0.69 -0.55 8.40 7.33 3k6mC1 ALA 410 HA -0.17 0.07 0.43 -0.75 4.34 3.91 3k6mC1 ALA 410 HB3 -0.04 -0.01 -0.02 -0.04 1.41 1.29 3k6mC1 HIS 411 H -0.24 0.11 0.15 -0.55 8.41 7.89 3k6mC1 HIS 411 HA 0.03 0.12 0.37 -0.75 4.63 4.39 3k6mC1 HIS 411 HB2 0.00 -0.06 0.07 -0.04 3.26 3.24 3k6mC1 HIS 411 HB3 0.00 0.08 0.02 -0.04 3.20 3.26 3k6mC1 HIS 411 HD2 0.02 -0.05 0.03 -0.04 6.97 6.92 3k6mC1 HIS 411 HE1 0.05 0.28 -0.17 -0.04 7.75 7.87 3k6mC1 LYS 412 H 0.07 0.22 0.35 -0.55 8.42 8.51 3k6mC1 LYS 412 HA 0.01 0.14 0.81 -0.75 4.32 4.53 3k6mC1 LYS 412 HB2 -0.03 0.26 0.13 -0.04 1.87 2.19 3k6mC1 LYS 412 HB3 -0.02 -0.07 -0.03 -0.04 1.79 1.62 3k6mC1 LYS 412 HG2 0.01 0.08 0.04 -0.04 1.46 1.54 3k6mC1 LYS 412 HG3 0.02 -0.08 -0.16 -0.04 1.46 1.20 3k6mC1 LYS 412 HD2 0.01 -0.11 -0.49 -0.04 1.69 1.06 3k6mC1 LYS 412 HD3 0.01 0.16 -0.55 -0.04 1.68 1.26 3k6mC1 LYS 412 HE2 -0.01 -0.04 -0.17 -0.04 2.99 2.73 3k6mC1 LYS 412 HE3 0.00 -0.07 0.05 -0.04 2.99 2.93 3k6mC1 ILE 413 H -0.07 0.16 0.25 -0.55 8.25 8.04 3k6mC1 ILE 413 HA -0.12 0.35 0.94 -0.75 4.18 4.59 3k6mC1 ILE 413 HB -0.23 -0.01 0.19 -0.04 1.89 1.80 3k6mC1 ILE 413 HG12 -0.21 -0.00 -0.08 -0.04 1.49 1.16 3k6mC1 ILE 413 HG13 -0.23 -0.00 -0.06 -0.04 1.21 0.87 3k6mC1 ILE 413 HG23 -0.39 0.01 -0.21 -0.04 0.93 0.29 3k6mC1 ILE 413 HD13 -0.41 -0.00 -0.08 -0.04 0.88 0.35 3k6mC1 MET 414 H -0.10 0.51 0.17 -0.55 8.47 8.50 3k6mC1 MET 414 HA -0.08 0.12 0.56 -0.75 4.52 4.36 3k6mC1 MET 414 HB2 -0.02 0.01 -0.30 -0.04 2.15 1.80 3k6mC1 MET 414 HB3 -0.00 -0.04 0.02 -0.04 2.03 1.96 3k6mC1 MET 414 HG2 0.06 0.05 -0.17 -0.04 2.63 2.53 3k6mC1 MET 414 HG3 0.02 -0.13 -1.04 -0.04 2.56 1.37 3k6mC1 MET 414 HE3 0.00 -0.03 -0.11 -0.04 2.10 1.93 3k6mC1 GLU 415 H -0.03 0.37 0.16 -0.55 8.60 8.55 3k6mC1 GLU 415 HA -0.08 0.00 0.47 -0.75 4.29 3.94 3k6mC1 GLU 415 HB2 -0.02 0.12 0.26 -0.04 2.09 2.41 3k6mC1 GLU 415 HB3 -0.00 -0.00 0.16 -0.04 1.99 2.11 3k6mC1 GLU 415 HG2 0.02 0.03 0.04 -0.04 2.34 2.39 3k6mC1 GLU 415 HG3 0.02 -0.02 -0.05 -0.04 2.34 2.25 3k6mC1 LYS 416 H -0.00 0.24 -0.05 -0.55 8.42 8.05 3k6mC1 LYS 416 HA 0.02 0.05 0.76 -0.75 4.32 4.39 3k6mC1 LYS 416 HB2 0.01 -0.03 -0.01 -0.04 1.87 1.81 3k6mC1 LYS 416 HB3 0.01 0.19 -0.08 -0.04 1.79 1.87 3k6mC1 LYS 416 HG2 0.04 -0.01 0.06 -0.04 1.46 1.51 3k6mC1 LYS 416 HG3 0.04 -0.02 -0.20 -0.04 1.46 1.24 3k6mC1 LYS 416 HD2 0.02 -0.01 -0.04 -0.04 1.69 1.63 3k6mC1 LYS 416 HD3 0.02 0.05 -0.04 -0.04 1.68 1.67 3k6mC1 LYS 416 HE2 0.01 0.02 -0.01 -0.04 2.99 2.98 3k6mC1 LYS 416 HE3 0.03 -0.02 0.01 -0.04 2.99 2.96 3k6mC1 CYS 417 H 0.01 0.06 0.03 -0.55 8.50 8.05 3k6mC1 CYS 417 HA -0.00 0.08 0.55 -0.75 4.58 4.45 3k6mC1 CYS 417 HB2 0.01 0.04 -0.03 -0.04 2.97 2.95 3k6mC1 CYS 417 HB3 -0.00 0.02 -0.08 -0.04 2.97 2.86 3k6mC1 THR 418 H -0.01 0.08 0.13 -0.55 8.28 7.93 3k6mC1 THR 418 HA -0.01 0.24 0.83 -0.75 4.39 4.69 3k6mC1 THR 418 HB -0.02 0.03 0.08 -0.04 4.32 4.36 3k6mC1 THR 418 HG23 -0.00 0.02 -0.08 -0.04 1.22 1.12 3k6mC1 LEU 419 H -0.03 -0.08 0.02 -0.55 8.37 7.73 3k6mC1 LEU 419 HA -0.10 0.23 0.79 -0.75 4.35 4.52 3k6mC1 LEU 419 HB2 -0.07 -0.14 0.01 -0.04 1.64 1.40 3k6mC1 LEU 419 HB3 -0.15 0.21 0.16 -0.04 1.64 1.82 3k6mC1 LEU 419 HG -0.04 -0.10 -0.03 -0.04 1.64 1.43 3k6mC1 LEU 419 HD13 -0.04 -0.01 -0.08 -0.04 0.93 0.75 3k6mC1 LEU 419 HD23 -0.07 0.05 0.04 -0.04 0.89 0.87 3k6mC1 PRO 420 HA -0.06 0.06 0.41 -0.51 4.44 4.34 3k6mC1 PRO 420 HB2 -1.24 -0.14 0.06 -0.04 2.28 0.91 3k6mC1 PRO 420 HB3 -0.32 0.05 0.08 -0.04 2.02 1.78 3k6mC1 PRO 420 HG2 -0.58 -0.02 0.04 -0.04 2.03 1.43 3k6mC1 PRO 420 HG3 -0.25 0.13 0.09 -0.04 2.03 1.96 3k6mC1 PRO 420 HD2 -0.32 0.33 0.27 -0.04 3.68 3.91 3k6mC1 PRO 420 HD3 -0.18 0.22 0.24 -0.04 3.65 3.89 3k6mC1 LEU 421 H 0.12 0.13 0.19 -0.55 8.37 8.26 3k6mC1 LEU 421 HA 0.12 0.12 0.48 -0.75 4.35 4.32 3k6mC1 LEU 421 HB2 0.12 -0.02 0.13 -0.04 1.64 1.84 3k6mC1 LEU 421 HB3 0.10 -0.02 -0.06 -0.04 1.64 1.62 3k6mC1 LEU 421 HG 0.05 0.02 0.04 -0.04 1.64 1.71 3k6mC1 LEU 421 HD13 0.03 0.03 0.00 -0.04 0.93 0.95 3k6mC1 LEU 421 HD23 0.04 0.00 -0.06 -0.04 0.89 0.84 3k6mC1 THR 422 H 0.21 0.70 0.51 -0.55 8.28 9.15 3k6mC1 THR 422 HA 0.18 0.03 0.75 -0.75 4.39 4.60 3k6mC1 THR 422 HB 0.15 0.09 -0.05 -0.04 4.32 4.47 3k6mC1 THR 422 HG23 0.09 -0.00 -0.20 -0.04 1.22 1.06 3k6mC1 GLY 423 H 0.10 0.36 0.29 -0.55 8.43 8.64 3k6mC1 GLY 423 HA2 0.06 0.16 0.33 -0.51 4.01 4.05 3k6mC1 GLY 423 HA3 0.07 0.11 0.32 -0.51 4.01 4.00 3k6mC1 LYS 424 H 0.05 0.28 0.10 -0.55 8.42 8.30 3k6mC1 LYS 424 HA 0.05 -0.02 0.98 -0.75 4.32 4.58 3k6mC1 LYS 424 HB2 0.04 0.06 0.09 -0.04 1.87 2.03 3k6mC1 LYS 424 HB3 0.03 0.04 0.01 -0.04 1.79 1.84 3k6mC1 LYS 424 HG2 0.02 -0.04 0.05 -0.04 1.46 1.44 3k6mC1 LYS 424 HG3 0.01 0.02 -0.02 -0.04 1.46 1.42 3k6mC1 LYS 424 HD2 -0.03 -0.01 0.04 -0.04 1.69 1.65 3k6mC1 LYS 424 HD3 -0.00 0.00 0.02 -0.04 1.68 1.67 3k6mC1 LYS 424 HE2 -0.01 -0.05 0.03 -0.04 2.99 2.92 3k6mC1 LYS 424 HE3 -0.04 0.28 0.11 -0.04 2.99 3.29 3k6mC1 GLN 425 H 0.06 -0.03 -0.16 -0.55 8.47 7.79 3k6mC1 GLN 425 HA 0.07 0.14 0.15 -0.75 4.36 3.97 3k6mC1 GLN 425 HB2 0.04 0.08 -0.20 -0.04 2.15 2.03 3k6mC1 GLN 425 HB3 0.05 0.03 0.17 -0.04 2.02 2.23 3k6mC1 GLN 425 HG2 0.08 0.15 0.05 -0.04 2.40 2.65 3k6mC1 GLN 425 HG3 0.05 -0.21 -0.06 -0.04 2.39 2.13 3k6mC1 GLN 425 HE21 -0.01 0.02 -0.01 -0.04 6.97 6.93 3k6mC1 GLN 425 HE22 0.01 -0.09 -0.03 -0.04 7.69 7.55 3k6mC1 CYS 426 H 0.05 0.26 -0.21 -0.55 8.50 8.05 3k6mC1 CYS 426 HA 0.04 0.27 0.86 -0.75 4.58 5.00 3k6mC1 CYS 426 HB2 0.05 0.06 0.05 -0.04 2.97 3.09 3k6mC1 CYS 426 HB3 0.05 0.10 -0.26 -0.04 2.97 2.82 3k6mC1 VAL 427 H 0.04 0.31 0.16 -0.55 8.24 8.20 3k6mC1 VAL 427 HA 0.04 0.09 0.58 -0.75 4.13 4.08 3k6mC1 VAL 427 HB 0.02 -0.05 0.04 -0.04 2.12 2.08 3k6mC1 VAL 427 HG13 0.02 -0.03 -0.19 -0.04 0.97 0.73 3k6mC1 VAL 427 HG23 0.03 0.00 -0.15 -0.04 0.95 0.79 3k6mC1 ASN 428 H 0.03 0.55 0.43 -0.55 8.53 9.00 3k6mC1 ASN 428 HA 0.04 0.25 0.92 -0.75 4.76 5.22 3k6mC1 ASN 428 HB2 0.03 0.03 0.18 -0.04 2.88 3.08 3k6mC1 ASN 428 HB3 0.03 -0.02 0.13 -0.04 2.79 2.90 3k6mC1 ASN 428 HD21 0.03 0.05 -0.03 -0.04 7.03 7.04 3k6mC1 ASN 428 HD22 0.04 0.03 0.07 -0.04 7.74 7.83 3k6mC1 ARG 429 H 0.03 0.30 0.33 -0.55 8.46 8.57 3k6mC1 ARG 429 HA 0.05 0.28 0.83 -0.75 4.34 4.75 3k6mC1 ARG 429 HB2 0.03 0.08 -0.08 -0.04 1.90 1.88 3k6mC1 ARG 429 HB3 0.02 -0.09 0.04 -0.04 1.80 1.73 3k6mC1 ARG 429 HG2 0.01 -0.08 -0.27 -0.04 1.67 1.29 3k6mC1 ARG 429 HG3 0.03 0.18 0.02 -0.04 1.67 1.86 3k6mC1 ARG 429 HD2 -0.00 -0.02 -0.10 -0.04 3.22 3.06 3k6mC1 ARG 429 HD3 -0.01 -0.02 -0.13 -0.04 3.22 3.02 3k6mC1 ILE 430 H 0.09 0.72 0.31 -0.55 8.25 8.82 3k6mC1 ILE 430 HA 0.03 0.18 1.04 -0.75 4.18 4.67 3k6mC1 ILE 430 HB 0.21 -0.07 0.06 -0.04 1.89 2.04 3k6mC1 ILE 430 HG12 -0.01 -0.02 -0.18 -0.04 1.49 1.24 3k6mC1 ILE 430 HG13 0.02 -0.02 -0.38 -0.04 1.21 0.79 3k6mC1 ILE 430 HG23 0.02 -0.01 -0.25 -0.04 0.93 0.64 3k6mC1 ILE 430 HD13 -0.16 0.01 -0.19 -0.04 0.88 0.50 3k6mC1 ILE 431 H 0.01 0.84 0.34 -0.55 8.25 8.90 3k6mC1 ILE 431 HA 0.00 0.21 1.11 -0.75 4.18 4.75 3k6mC1 ILE 431 HB -0.03 -0.07 0.15 -0.04 1.89 1.90 3k6mC1 ILE 431 HG12 -0.02 0.04 -0.08 -0.04 1.49 1.38 3k6mC1 ILE 431 HG13 -0.01 -0.09 -0.35 -0.04 1.21 0.72 3k6mC1 ILE 431 HG23 -0.04 -0.00 -0.07 -0.04 0.93 0.78 3k6mC1 ILE 431 HD13 -0.06 -0.00 -0.18 -0.04 0.88 0.60 3k6mC1 THR 432 H 0.02 0.78 0.34 -0.55 8.28 8.86 3k6mC1 THR 432 HA -0.00 0.39 0.97 -0.75 4.39 4.99 3k6mC1 THR 432 HB 0.10 -0.12 0.24 -0.04 4.32 4.50 3k6mC1 THR 432 HG23 -0.05 0.05 -0.21 -0.04 1.22 0.98 3k6mC1 GLU 433 H -0.02 0.07 0.24 -0.55 8.60 8.35 3k6mC1 GLU 433 HA -0.20 0.20 0.50 -0.75 4.29 4.03 3k6mC1 GLU 433 HB2 -0.33 0.06 0.16 -0.04 2.09 1.94 3k6mC1 GLU 433 HB3 -0.14 -0.04 0.15 -0.04 1.99 1.92 3k6mC1 GLU 433 HG2 -0.19 0.11 -0.31 -0.04 2.34 1.90 3k6mC1 GLU 433 HG3 -0.19 0.02 0.02 -0.04 2.34 2.15 3k6mC1 LYS 434 H 0.02 -0.07 -0.18 -0.55 8.42 7.64 3k6mC1 LYS 434 HA 0.02 0.22 0.86 -0.75 4.32 4.66 3k6mC1 LYS 434 HB2 -0.17 -0.00 0.01 -0.04 1.87 1.67 3k6mC1 LYS 434 HB3 -0.14 0.04 -0.02 -0.04 1.79 1.63 3k6mC1 LYS 434 HG2 -0.11 0.08 -0.09 -0.04 1.46 1.31 3k6mC1 LYS 434 HG3 -0.10 -0.18 -0.04 -0.04 1.46 1.10 3k6mC1 LYS 434 HD2 -0.51 0.03 -0.03 -0.04 1.69 1.13 3k6mC1 LYS 434 HD3 -0.21 0.05 -0.08 -0.04 1.68 1.39 3k6mC1 LYS 434 HE2 -0.08 0.02 -0.04 -0.04 2.99 2.85 3k6mC1 LYS 434 HE3 -0.07 -0.11 -0.01 -0.04 2.99 2.77 3k6mC1 ALA 435 H 0.04 0.09 -0.05 -0.55 8.40 7.93 3k6mC1 ALA 435 HA -0.13 0.30 0.94 -0.75 4.34 4.69 3k6mC1 ALA 435 HB3 -0.32 0.01 -0.14 -0.04 1.41 0.92 3k6mC1 VAL 436 H -0.21 0.54 0.29 -0.55 8.24 8.31 3k6mC1 VAL 436 HA -0.07 0.37 0.92 -0.75 4.13 4.60 3k6mC1 VAL 436 HB -0.07 -0.13 0.13 -0.04 2.12 2.01 3k6mC1 VAL 436 HG13 -0.02 0.02 -0.15 -0.04 0.97 0.79 3k6mC1 VAL 436 HG23 -0.02 -0.00 -0.07 -0.04 0.95 0.81 3k6mC1 PHE 437 H 0.11 0.64 0.29 -0.55 8.34 8.83 3k6mC1 PHE 437 HA -0.04 0.25 1.21 -0.75 4.62 5.29 3k6mC1 PHE 437 HB2 -0.06 -0.10 0.02 -0.04 3.15 2.96 3k6mC1 PHE 437 HB3 -0.05 0.16 -0.10 -0.04 3.06 3.03 3k6mC1 PHE 437 HD2 -0.11 -0.01 -0.28 -0.04 7.28 6.84 3k6mC1 PHE 437 HE2 -0.58 0.00 -0.15 -0.04 7.38 6.62 3k6mC1 PHE 437 HZ -0.47 0.04 -0.15 -0.04 7.32 6.70 3k6mC1 ASP 438 H 0.11 0.45 0.32 -0.55 8.40 8.73 3k6mC1 ASP 438 HA 0.07 0.21 1.00 -0.75 4.63 5.14 3k6mC1 ASP 438 HB2 0.07 -0.05 0.15 -0.04 2.71 2.84 3k6mC1 ASP 438 HB3 0.05 0.07 0.02 -0.04 2.70 2.81 3k6mC1 VAL 439 H 0.05 0.70 0.20 -0.55 8.24 8.64 3k6mC1 VAL 439 HA 0.02 0.24 0.89 -0.75 4.13 4.53 3k6mC1 VAL 439 HB 0.03 0.13 -0.25 -0.04 2.12 1.98 3k6mC1 VAL 439 HG13 0.00 -0.01 -0.38 -0.04 0.97 0.55 3k6mC1 VAL 439 HG23 0.00 -0.03 -0.54 -0.04 0.95 0.34 3k6mC1 ASP 440 H 0.06 0.57 0.21 -0.55 8.40 8.68 3k6mC1 ASP 440 HA 0.06 0.19 0.90 -0.75 4.63 5.04 3k6mC1 ASP 440 HB2 0.06 0.11 -0.09 -0.04 2.71 2.75 3k6mC1 ASP 440 HB3 0.08 -0.02 0.11 -0.04 2.70 2.83 3k6mC1 ARG 441 H 0.07 0.22 0.15 -0.55 8.46 8.35 3k6mC1 ARG 441 HA 0.16 0.24 0.48 -0.75 4.34 4.47 3k6mC1 ARG 441 HB2 0.03 -0.01 0.17 -0.04 1.90 2.06 3k6mC1 ARG 441 HB3 0.05 0.11 0.15 -0.04 1.80 2.08 3k6mC1 ARG 441 HG2 0.03 -0.11 0.10 -0.04 1.67 1.66 3k6mC1 ARG 441 HG3 0.01 -0.00 -0.14 -0.04 1.67 1.49 3k6mC1 ARG 441 HD2 0.03 0.08 0.06 -0.04 3.22 3.35 3k6mC1 ARG 441 HD3 0.02 -0.02 0.02 -0.04 3.22 3.20 3k6mC1 LYS 442 H 0.08 -0.09 -0.32 -0.55 8.42 7.54 3k6mC1 LYS 442 HA -0.12 0.24 0.96 -0.75 4.32 4.64 3k6mC1 LYS 442 HB2 0.03 -0.04 0.05 -0.04 1.87 1.87 3k6mC1 LYS 442 HB3 -0.01 0.03 0.01 -0.04 1.79 1.79 3k6mC1 LYS 442 HG2 -0.00 -0.07 -0.13 -0.04 1.46 1.21 3k6mC1 LYS 442 HG3 -0.01 0.02 -0.02 -0.04 1.46 1.41 3k6mC1 LYS 442 HD2 -0.08 0.00 0.03 -0.04 1.69 1.61 3k6mC1 LYS 442 HD3 -0.09 0.12 -0.15 -0.04 1.68 1.52 3k6mC1 LYS 442 HE2 -0.03 0.00 -0.04 -0.04 2.99 2.89 3k6mC1 LYS 442 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.90 3k6mC1 LYS 443 H 0.12 -0.06 -0.02 -0.55 8.42 7.92 3k6mC1 LYS 443 HA 0.14 0.18 0.57 -0.75 4.32 4.46 3k6mC1 LYS 443 HB2 0.08 0.00 0.00 -0.04 1.87 1.91 3k6mC1 LYS 443 HB3 0.07 0.02 0.01 -0.04 1.79 1.85 3k6mC1 LYS 443 HG2 0.06 0.05 -0.10 -0.04 1.46 1.43 3k6mC1 LYS 443 HG3 0.06 -0.09 -0.04 -0.04 1.46 1.35 3k6mC1 LYS 443 HD2 0.05 0.01 -0.03 -0.04 1.69 1.68 3k6mC1 LYS 443 HD3 0.04 0.01 -0.03 -0.04 1.68 1.65 3k6mC1 LYS 443 HE2 0.04 -0.03 -0.02 -0.04 2.99 2.94 3k6mC1 LYS 443 HE3 0.05 0.02 -0.06 -0.04 2.99 2.97 3k6mC1 GLY 444 H 0.24 0.36 -0.02 -0.55 8.43 8.47 3k6mC1 GLY 444 HA2 -0.22 0.23 0.28 -0.51 4.01 3.79 3k6mC1 GLY 444 HA3 -0.15 0.05 0.65 -0.51 4.01 4.04 3k6mC1 LEU 445 H -0.07 0.13 0.26 -0.55 8.37 8.14 3k6mC1 LEU 445 HA 0.00 0.33 0.67 -0.75 4.35 4.60 3k6mC1 LEU 445 HB2 -0.02 -0.01 0.16 -0.04 1.64 1.73 3k6mC1 LEU 445 HB3 -0.16 -0.04 -0.05 -0.04 1.64 1.35 3k6mC1 LEU 445 HG -0.24 -0.00 0.09 -0.04 1.64 1.44 3k6mC1 LEU 445 HD13 -0.66 -0.00 -0.17 -0.04 0.93 0.06 3k6mC1 LEU 445 HD23 -0.26 0.01 -0.17 -0.04 0.89 0.42 3k6mC1 THR 446 H 0.16 0.63 0.28 -0.55 8.28 8.80 3k6mC1 THR 446 HA 0.20 0.21 0.73 -0.75 4.39 4.78 3k6mC1 THR 446 HB 0.09 -0.07 0.07 -0.04 4.32 4.37 3k6mC1 THR 446 HG23 0.08 -0.01 -0.33 -0.04 1.22 0.92 3k6mC1 LEU 447 H 0.28 0.79 0.24 -0.55 8.37 9.14 3k6mC1 LEU 447 HA -0.27 0.12 0.78 -0.75 4.35 4.23 3k6mC1 LEU 447 HB2 -0.12 0.02 0.09 -0.04 1.64 1.59 3k6mC1 LEU 447 HB3 0.14 -0.05 0.26 -0.04 1.64 1.95 3k6mC1 LEU 447 HG -0.15 -0.01 -0.26 -0.04 1.64 1.18 3k6mC1 LEU 447 HD13 -0.70 0.04 0.04 -0.04 0.93 0.27 3k6mC1 LEU 447 HD23 0.04 -0.01 -0.06 -0.04 0.89 0.81 3k6mC1 ILE 448 H -0.13 0.66 0.51 -0.55 8.25 8.74 3k6mC1 ILE 448 HA -0.01 0.12 0.93 -0.75 4.18 4.46 3k6mC1 ILE 448 HB -0.01 0.03 0.02 -0.04 1.89 1.88 3k6mC1 ILE 448 HG12 -0.02 0.02 -0.12 -0.04 1.49 1.32 3k6mC1 ILE 448 HG13 -0.04 0.01 -0.16 -0.04 1.21 0.97 3k6mC1 ILE 448 HG23 0.02 0.02 -0.15 -0.04 0.93 0.79 3k6mC1 ILE 448 HD13 0.00 0.00 -0.12 -0.04 0.88 0.72 3k6mC1 GLU 449 H -0.13 0.28 0.36 -0.55 8.60 8.56 3k6mC1 GLU 449 HA -0.05 0.36 0.73 -0.75 4.29 4.58 3k6mC1 GLU 449 HB2 -0.04 -0.14 -0.01 -0.04 2.09 1.86 3k6mC1 GLU 449 HB3 -0.02 0.01 -0.15 -0.04 1.99 1.78 3k6mC1 GLU 449 HG2 -0.03 0.22 -0.08 -0.04 2.34 2.42 3k6mC1 GLU 449 HG3 -0.03 -0.13 -0.44 -0.04 2.34 1.70 3k6mC1 LEU 450 H -0.04 0.57 0.24 -0.55 8.37 8.59 3k6mC1 LEU 450 HA -0.03 0.21 0.95 -0.75 4.35 4.73 3k6mC1 LEU 450 HB2 -0.04 -0.03 -0.27 -0.04 1.64 1.26 3k6mC1 LEU 450 HB3 -0.03 0.02 -0.09 -0.04 1.64 1.50 3k6mC1 LEU 450 HG 0.00 0.15 -0.34 -0.04 1.64 1.42 3k6mC1 LEU 450 HD13 -0.01 0.02 -0.09 -0.04 0.93 0.81 3k6mC1 LEU 450 HD23 0.00 -0.04 -0.33 -0.04 0.89 0.48 3k6mC1 TRP 451 H 0.19 0.67 0.18 -0.55 7.97 8.47 3k6mC1 TRP 451 HA -0.05 -0.04 0.41 -0.75 4.62 4.19 3k6mC1 TRP 451 HB2 -0.05 0.08 0.15 -0.04 3.23 3.37 3k6mC1 TRP 451 HB3 -0.05 -0.08 0.15 -0.04 3.23 3.21 3k6mC1 TRP 451 HD1 -0.03 -0.06 -0.18 -0.04 7.22 6.90 3k6mC1 TRP 451 HE1 -0.02 -0.03 -0.02 -0.04 10.20 10.09 3k6mC1 TRP 451 HE3 -0.04 -0.04 -0.06 -0.04 7.59 7.41 3k6mC1 TRP 451 HZ2 -0.02 -0.03 -0.01 -0.04 7.44 7.34 3k6mC1 TRP 451 HZ3 -0.04 0.07 -0.11 -0.04 7.13 7.01 3k6mC1 TRP 451 HH2 -0.02 -0.01 -0.04 -0.04 7.19 7.07 3k6mC1 GLU 452 H -0.95 0.12 0.24 -0.55 8.60 7.46 3k6mC1 GLU 452 HA -0.27 0.02 0.43 -0.75 4.29 3.71 3k6mC1 GLU 452 HB2 -0.54 0.04 0.19 -0.04 2.09 1.74 3k6mC1 GLU 452 HB3 -0.84 -0.00 0.16 -0.04 1.99 1.26 3k6mC1 GLU 452 HG2 -0.27 0.01 0.01 -0.04 2.34 2.06 3k6mC1 GLU 452 HG3 -0.24 0.01 -0.17 -0.04 2.34 1.89 3k6mC1 GLY 453 H -0.12 0.15 0.22 -0.55 8.43 8.14 3k6mC1 GLY 453 HA2 -0.04 -0.02 0.35 -0.51 4.01 3.79 3k6mC1 GLY 453 HA3 -0.03 0.13 0.69 -0.51 4.01 4.29 3k6mC1 LEU 454 H 0.01 0.57 -0.02 -0.55 8.37 8.38 3k6mC1 LEU 454 HA 0.04 0.15 0.95 -0.75 4.35 4.74 3k6mC1 LEU 454 HB2 0.07 0.11 -0.01 -0.04 1.64 1.77 3k6mC1 LEU 454 HB3 0.04 -0.09 0.06 -0.04 1.64 1.61 3k6mC1 LEU 454 HG 0.27 0.09 -0.16 -0.04 1.64 1.80 3k6mC1 LEU 454 HD13 0.06 -0.01 0.02 -0.04 0.93 0.96 3k6mC1 LEU 454 HD23 0.08 0.01 -0.03 -0.04 0.89 0.91 3k6mC1 THR 455 H 0.03 0.09 0.16 -0.55 8.28 8.00 3k6mC1 THR 455 HA 0.02 0.28 0.84 -0.75 4.39 4.77 3k6mC1 THR 455 HB 0.02 -0.01 0.12 -0.04 4.32 4.41 3k6mC1 THR 455 HG23 0.01 0.06 -0.11 -0.04 1.22 1.14 3k6mC1 VAL 456 H 0.04 0.24 0.13 -0.55 8.24 8.10 3k6mC1 VAL 456 HA 0.11 0.12 0.55 -0.75 4.13 4.16 3k6mC1 VAL 456 HB 0.06 -0.01 0.13 -0.04 2.12 2.25 3k6mC1 VAL 456 HG13 0.16 0.02 -0.08 -0.04 0.97 1.03 3k6mC1 VAL 456 HG23 0.07 0.03 0.03 -0.04 0.95 1.04 3k6mC1 ASP 457 H 0.05 0.11 -0.13 -0.55 8.40 7.88 3k6mC1 ASP 457 HA 0.07 0.11 0.40 -0.75 4.63 4.46 3k6mC1 ASP 457 HB2 0.03 0.03 0.08 -0.04 2.71 2.80 3k6mC1 ASP 457 HB3 0.03 -0.01 0.00 -0.04 2.70 2.68 3k6mC1 ASP 458 H 0.04 0.04 -0.33 -0.55 8.40 7.60 3k6mC1 ASP 458 HA 0.03 0.09 0.46 -0.75 4.63 4.45 3k6mC1 ASP 458 HB2 0.02 0.17 0.17 -0.04 2.71 3.02 3k6mC1 ASP 458 HB3 -0.00 0.04 0.01 -0.04 2.70 2.71 3k6mC1 ILE 459 H 0.06 0.33 -0.21 -0.55 8.25 7.88 3k6mC1 ILE 459 HA -0.08 0.01 0.40 -0.75 4.18 3.76 3k6mC1 ILE 459 HB 0.17 0.14 0.13 -0.04 1.89 2.29 3k6mC1 ILE 459 HG12 0.00 0.14 0.04 -0.04 1.49 1.63 3k6mC1 ILE 459 HG13 -0.12 -0.01 -0.04 -0.04 1.21 1.01 3k6mC1 ILE 459 HG23 -0.15 -0.01 -0.13 -0.04 0.93 0.60 3k6mC1 ILE 459 HD13 -0.13 -0.02 -0.16 -0.04 0.88 0.53 3k6mC1 LYS 460 H 0.23 0.48 -0.02 -0.55 8.42 8.56 3k6mC1 LYS 460 HA 0.39 0.06 0.40 -0.75 4.32 4.42 3k6mC1 LYS 460 HB2 0.10 -0.01 0.21 -0.04 1.87 2.14 3k6mC1 LYS 460 HB3 0.07 0.01 -0.04 -0.04 1.79 1.79 3k6mC1 LYS 460 HG2 -0.06 0.02 0.05 -0.04 1.46 1.43 3k6mC1 LYS 460 HG3 0.07 -0.00 -0.00 -0.04 1.46 1.49 3k6mC1 LYS 460 HD2 -0.08 -0.03 -0.03 -0.04 1.69 1.51 3k6mC1 LYS 460 HD3 0.01 -0.07 -0.02 -0.04 1.68 1.57 3k6mC1 LYS 460 HE2 -0.02 -0.03 -0.01 -0.04 2.99 2.88 3k6mC1 LYS 460 HE3 0.00 0.05 -0.03 -0.04 2.99 2.97 3k6mC1 LYS 461 H 0.09 0.49 -0.26 -0.55 8.42 8.19 3k6mC1 LYS 461 HA 0.10 0.04 0.37 -0.75 4.32 4.07 3k6mC1 LYS 461 HB2 0.06 0.08 0.07 -0.04 1.87 2.04 3k6mC1 LYS 461 HB3 0.07 -0.05 0.07 -0.04 1.79 1.83 3k6mC1 LYS 461 HG2 0.05 -0.04 0.02 -0.04 1.46 1.46 3k6mC1 LYS 461 HG3 0.05 0.23 0.06 -0.04 1.46 1.76 3k6mC1 LYS 461 HD2 0.04 -0.00 0.00 -0.04 1.69 1.69 3k6mC1 LYS 461 HD3 0.03 -0.04 -0.02 -0.04 1.68 1.61 3k6mC1 LYS 461 HE2 0.03 -0.08 -0.17 -0.04 2.99 2.74 3k6mC1 LYS 461 HE3 0.03 0.02 -0.02 -0.04 2.99 2.98 3k6mC1 SER 462 H 0.10 0.35 -0.55 -0.55 8.46 7.81 3k6mC1 SER 462 HA 0.25 0.17 0.76 -0.75 4.49 4.92 3k6mC1 SER 462 HB2 -0.08 0.10 0.10 -0.04 3.95 4.02 3k6mC1 SER 462 HB3 0.08 -0.16 0.11 -0.04 3.93 3.92 3k6mC1 THR 463 H 0.03 0.49 -0.16 -0.55 8.28 8.09 3k6mC1 THR 463 HA -0.08 0.04 0.93 -0.75 4.39 4.52 3k6mC1 THR 463 HB 0.20 0.08 0.07 -0.04 4.32 4.63 3k6mC1 THR 463 HG23 -0.13 -0.07 -0.14 -0.04 1.22 0.84 3k6mC1 GLY 464 H -0.31 0.69 0.28 -0.55 8.43 8.54 3k6mC1 GLY 464 HA2 -0.41 0.17 0.43 -0.51 4.01 3.69 3k6mC1 GLY 464 HA3 -0.26 -0.06 0.44 -0.51 4.01 3.62 3k6mC1 CYS 465 H -0.07 0.36 -0.36 -0.55 8.50 7.89 3k6mC1 CYS 465 HA -0.04 0.06 0.38 -0.75 4.58 4.23 3k6mC1 CYS 465 HB2 -0.08 -0.01 0.13 -0.04 2.97 2.97 3k6mC1 CYS 465 HB3 -0.08 -0.09 -0.16 -0.04 2.97 2.59 3k6mC1 ASP 466 H -0.03 0.07 0.12 -0.55 8.40 8.01 3k6mC1 ASP 466 HA -0.09 0.13 0.59 -0.75 4.63 4.51 3k6mC1 ASP 466 HB2 -0.04 -0.02 0.07 -0.04 2.71 2.68 3k6mC1 ASP 466 HB3 -0.09 0.04 0.05 -0.04 2.70 2.66 3k6mC1 PHE 467 H -0.39 0.25 0.19 -0.55 8.34 7.84 3k6mC1 PHE 467 HA -0.02 0.12 0.57 -0.75 4.62 4.54 3k6mC1 PHE 467 HB2 0.15 0.07 -0.07 -0.04 3.15 3.27 3k6mC1 PHE 467 HB3 -0.03 0.04 -0.12 -0.04 3.06 2.91 3k6mC1 PHE 467 HD2 0.08 0.19 -0.29 -0.04 7.28 7.22 3k6mC1 PHE 467 HE2 0.08 0.03 -0.11 -0.04 7.38 7.33 3k6mC1 PHE 467 HZ 0.08 -0.03 -0.09 -0.04 7.32 7.24 3k6mC1 ALA 468 H 0.16 0.59 0.30 -0.55 8.40 8.91 3k6mC1 ALA 468 HA 0.04 0.08 0.73 -0.75 4.34 4.43 3k6mC1 ALA 468 HB3 0.08 0.03 0.11 -0.04 1.41 1.58 3k6mC1 VAL 469 H 0.07 0.24 0.18 -0.55 8.24 8.18 3k6mC1 VAL 469 HA 0.16 0.13 0.91 -0.75 4.13 4.58 3k6mC1 VAL 469 HB 0.06 -0.01 0.10 -0.04 2.12 2.22 3k6mC1 VAL 469 HG13 0.07 0.04 -0.03 -0.04 0.97 1.00 3k6mC1 VAL 469 HG23 0.17 -0.00 -0.11 -0.04 0.95 0.97 3k6mC1 SER 470 H 0.06 0.71 0.19 -0.55 8.46 8.87 3k6mC1 SER 470 HA 0.04 0.10 0.48 -0.75 4.49 4.36 3k6mC1 SER 470 HB2 0.03 0.02 -0.02 -0.04 3.95 3.95 3k6mC1 SER 470 HB3 0.02 0.05 0.09 -0.04 3.93 4.05 3k6mC1 PRO 471 HA 0.01 0.10 0.56 -0.51 4.44 4.59 3k6mC1 PRO 471 HB2 0.01 0.02 0.02 -0.04 2.28 2.29 3k6mC1 PRO 471 HB3 0.01 0.03 0.13 -0.04 2.02 2.15 3k6mC1 PRO 471 HG2 0.01 0.03 0.10 -0.04 2.03 2.13 3k6mC1 PRO 471 HG3 0.02 0.06 0.12 -0.04 2.03 2.19 3k6mC1 PRO 471 HD2 0.02 0.05 0.23 -0.04 3.68 3.94 3k6mC1 PRO 471 HD3 0.03 0.22 0.27 -0.04 3.65 4.12 3k6mC1 LYS 472 H 0.01 0.03 -0.34 -0.55 8.42 7.56 3k6mC1 LYS 472 HA -0.00 0.19 0.56 -0.75 4.32 4.31 3k6mC1 LYS 472 HB2 0.00 -0.03 0.04 -0.04 1.87 1.85 3k6mC1 LYS 472 HB3 -0.00 0.03 0.13 -0.04 1.79 1.92 3k6mC1 LYS 472 HG2 0.00 0.04 -0.05 -0.04 1.46 1.41 3k6mC1 LYS 472 HG3 0.01 -0.09 -0.06 -0.04 1.46 1.27 3k6mC1 LYS 472 HD2 0.01 -0.02 -0.00 -0.04 1.69 1.63 3k6mC1 LYS 472 HD3 0.00 0.02 0.00 -0.04 1.68 1.67 3k6mC1 LYS 472 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.92 3k6mC1 LYS 472 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.94 3k6mC1 LEU 473 H 0.00 0.35 -0.53 -0.55 8.37 7.64 3k6mC1 LEU 473 HA -0.01 0.13 0.27 -0.75 4.35 3.99 3k6mC1 LEU 473 HB2 0.01 0.07 0.06 -0.04 1.64 1.74 3k6mC1 LEU 473 HB3 0.00 -0.01 0.04 -0.04 1.64 1.63 3k6mC1 LEU 473 HG -0.02 0.03 -0.39 -0.04 1.64 1.22 3k6mC1 LEU 473 HD13 -0.03 0.01 -0.43 -0.04 0.93 0.45 3k6mC1 LEU 473 HD23 0.01 -0.03 -0.11 -0.04 0.89 0.72 3k6mC1 ILE 474 H -0.03 0.33 0.30 -0.55 8.25 8.31 3k6mC1 ILE 474 HA -0.03 0.16 0.91 -0.75 4.18 4.46 3k6mC1 ILE 474 HB -0.04 0.01 0.14 -0.04 1.89 1.95 3k6mC1 ILE 474 HG12 -0.02 0.13 0.14 -0.04 1.49 1.69 3k6mC1 ILE 474 HG13 -0.03 -0.06 -0.16 -0.04 1.21 0.92 3k6mC1 ILE 474 HG23 -0.02 0.10 -0.12 -0.04 0.93 0.85 3k6mC1 ILE 474 HD13 -0.02 -0.03 -0.01 -0.04 0.88 0.78 3k6mC1 PRO 475 HA -0.10 0.30 0.68 -0.51 4.44 4.81 3k6mC1 PRO 475 HB2 -0.14 0.06 -0.05 -0.04 2.28 2.11 3k6mC1 PRO 475 HB3 -0.20 -0.05 0.14 -0.04 2.02 1.87 3k6mC1 PRO 475 HG2 -0.10 0.03 0.09 -0.04 2.03 2.01 3k6mC1 PRO 475 HG3 -0.10 0.01 0.09 -0.04 2.03 1.99 3k6mC1 PRO 475 HD2 -0.06 0.11 0.21 -0.04 3.68 3.90 3k6mC1 PRO 475 HD3 -0.05 0.16 0.21 -0.04 3.65 3.92 3k6mC1 MET 476 H -0.06 0.31 -0.01 -0.55 8.47 8.16 3k6mC1 MET 476 HA 0.01 -0.01 0.26 -0.75 4.52 4.02 3k6mC1 MET 476 HB2 0.16 -0.11 -0.34 -0.04 2.15 1.82 3k6mC1 MET 476 HB3 0.34 -0.03 -0.08 -0.04 2.03 2.21 3k6mC1 MET 476 HG2 0.13 0.31 -0.20 -0.04 2.63 2.83 3k6mC1 MET 476 HG3 0.06 -0.08 -0.12 -0.04 2.56 2.37 3k6mC1 MET 476 HE3 0.09 0.01 -0.54 -0.04 2.10 1.62 3k6mC1 GLN 477 H 0.01 0.05 0.13 -0.55 8.47 8.11 3k6mC1 GLN 477 HA -0.02 0.10 0.44 -0.75 4.36 4.13 3k6mC1 GLN 477 HB2 -0.01 -0.02 0.02 -0.04 2.15 2.11 3k6mC1 GLN 477 HB3 -0.01 0.01 0.02 -0.04 2.02 2.00 3k6mC1 GLN 477 HG2 -0.02 0.04 -0.00 -0.04 2.40 2.37 3k6mC1 GLN 477 HG3 -0.02 -0.01 0.05 -0.04 2.39 2.38 3k6mC1 GLN 477 HE21 -0.01 0.02 -0.03 -0.04 6.97 6.90 3k6mC1 GLN 477 HE22 -0.02 -0.03 -0.03 -0.04 7.69 7.58 3k6mC1 GLN 478 H 0.01 0.21 0.11 -0.55 8.47 8.25 3k6mC1 GLN 478 HA 0.03 0.19 0.55 -0.75 4.36 4.37 3k6mC1 GLN 478 HB2 0.05 -0.04 0.01 -0.04 2.15 2.12 3k6mC1 GLN 478 HB3 0.07 0.05 -0.04 -0.04 2.02 2.06 3k6mC1 GLN 478 HG2 0.18 0.06 -0.64 -0.04 2.40 1.96 3k6mC1 GLN 478 HG3 0.22 -0.05 -0.12 -0.04 2.39 2.39 3k6mC1 GLN 478 HE21 0.05 0.31 0.06 -0.04 6.97 7.34 3k6mC1 GLN 478 HE22 0.15 0.43 -0.05 -0.04 7.69 8.17 3k6mC1 VAL 479 H -0.00 0.54 0.19 -0.55 8.24 8.42 3k6mC1 VAL 479 HA 0.03 -0.01 0.44 -0.75 4.13 3.83 3k6mC1 VAL 479 HB 0.01 0.08 0.14 -0.04 2.12 2.31 3k6mC1 VAL 479 HG13 0.11 -0.02 -0.05 -0.04 0.97 0.97 3k6mC1 VAL 479 HG23 0.07 0.05 -0.02 -0.04 0.95 1.01 3k6mC1 THR 480 H 0.04 0.10 0.08 -0.55 8.28 7.95 3k6mC1 THR 480 HA 0.05 0.26 0.74 -0.75 4.39 4.69 3k6mC1 THR 480 HB 0.02 -0.02 0.09 -0.04 4.32 4.37 3k6mC1 THR 480 HG23 0.03 0.00 0.03 -0.04 1.22 1.24