============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 6 1.000 -2.668 45.419 175.380 -99.200 -91.000 HIS 32 0.900 8.286 54.300 172.263 -99.200 -91.000 TYR 36 0.840 11.311 37.766 165.844 -99.200 -91.000 TRP 37 1.040 5.739 39.101 159.928 -99.200 -91.000 TRP6 37 1.020 6.593 39.472 157.752 -99.200 -91.000 HIS 46 0.900 0.539 33.980 150.151 -99.200 -91.000 TYR 49 0.840 4.170 36.680 152.752 -99.200 -91.000 PHE 50 1.000 -1.529 43.606 149.744 -99.200 -91.000 PHE 59 1.000 2.667 44.892 165.415 -99.200 -91.000 HIS 74 0.900 14.386 29.698 161.154 -99.200 -91.000 PHE 76 1.000 20.195 24.359 153.457 -99.200 -91.000 TYR 89 0.840 21.286 36.639 143.539 -99.200 -91.000 TYR 93 0.840 10.591 38.418 144.631 -99.200 -91.000 TYR 94 0.840 10.155 36.079 150.781 -99.200 -91.000 PHE 114 1.000 13.266 45.381 155.946 -99.200 -91.000 TYR 120 0.840 20.088 36.207 164.684 -99.200 -91.000 TYR 126 0.840 20.610 31.002 166.668 -99.200 -91.000 PHE 131 1.000 25.566 22.029 169.416 -99.200 -91.000 TYR 163 0.840 11.162 26.618 160.028 -99.200 -91.000 PHE 173 1.000 21.433 34.013 170.410 -99.200 -91.000 PHE 180 1.000 2.020 40.306 163.196 -99.200 -91.000 PHE 189 1.000 4.374 33.169 167.147 -99.200 -91.000 TYR 201 0.840 18.696 32.748 176.569 -99.200 -91.000 HIS 206 0.900 5.194 34.153 171.573 -99.200 -91.000 PHE 237 1.000 -17.507 26.565 147.414 -99.200 -91.000 PHE 251 1.000 -7.652 39.670 149.134 -99.200 -91.000 TYR 254 0.840 -10.199 37.296 158.319 -99.200 -91.000 PHE 264 1.000 -5.758 55.716 162.315 -99.200 -91.000 HIS 268 0.900 -12.797 55.048 153.487 -99.200 -91.000 PHE 269 1.000 -15.864 47.141 153.602 -99.200 -91.000 PHE 271 1.000 -14.806 45.207 147.535 -99.200 -91.000 PHE 272 1.000 -17.557 50.965 141.369 -99.200 -91.000 PHE 279 1.000 -27.072 39.623 135.493 -99.200 -91.000 TYR 285 0.840 -22.666 45.572 148.924 -99.200 -91.000 PHE 288 1.000 -16.800 41.304 155.788 -99.200 -91.000 PHE 295 1.000 -22.028 35.586 148.192 -99.200 -91.000 PHE 324 1.000 9.699 42.498 139.021 -99.200 -91.000 PHE 330 1.000 10.738 43.762 143.845 -99.200 -91.000 TYR 338 0.840 11.645 33.230 143.781 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dlcX1 ASP 8 HA 0.02 0.06 0.25 -0.75 4.63 4.22 2dlcX1 ASP 8 HB2 0.03 0.07 0.08 -0.04 2.71 2.85 2dlcX1 ASP 8 HB3 0.04 -0.03 0.11 -0.04 2.70 2.78 2dlcX1 PRO 9 HA 0.05 0.12 0.21 -0.51 4.44 4.32 2dlcX1 PRO 9 HB2 -0.00 -0.04 -0.06 -0.04 2.28 2.13 2dlcX1 PRO 9 HB3 0.01 0.06 -0.15 -0.04 2.02 1.90 2dlcX1 PRO 9 HG2 -0.01 0.03 0.08 -0.04 2.03 2.09 2dlcX1 PRO 9 HG3 -0.01 0.23 0.08 -0.04 2.03 2.30 2dlcX1 PRO 9 HD2 0.01 0.01 0.14 -0.04 3.68 3.80 2dlcX1 PRO 9 HD3 0.01 0.20 0.21 -0.04 3.65 4.02 2dlcX1 ASN 10 H 0.03 0.11 -0.22 -0.55 8.53 7.90 2dlcX1 ASN 10 HA 0.07 0.13 0.68 -0.75 4.76 4.88 2dlcX1 ASN 10 HB2 0.03 -0.01 0.05 -0.04 2.88 2.91 2dlcX1 ASN 10 HB3 0.04 0.02 -0.02 -0.04 2.79 2.79 2dlcX1 ASN 10 HD21 -0.01 0.03 -0.01 -0.04 7.03 6.99 2dlcX1 ASN 10 HD22 0.01 0.01 0.00 -0.04 7.74 7.72 2dlcX1 GLU 11 H 0.06 0.11 -0.09 -0.55 8.60 8.13 2dlcX1 GLU 11 HA 0.06 0.02 0.48 -0.75 4.29 4.09 2dlcX1 GLU 11 HB2 0.05 -0.09 0.11 -0.04 2.09 2.12 2dlcX1 GLU 11 HB3 0.06 0.23 0.13 -0.04 1.99 2.38 2dlcX1 GLU 11 HG2 0.06 0.03 -0.11 -0.04 2.34 2.28 2dlcX1 GLU 11 HG3 0.05 -0.07 0.03 -0.04 2.34 2.31 2dlcX1 ALA 12 H 0.08 0.83 0.01 -0.55 8.40 8.77 2dlcX1 ALA 12 HA 0.08 0.08 0.45 -0.75 4.34 4.19 2dlcX1 ALA 12 HB3 0.09 0.03 0.03 -0.04 1.41 1.52 2dlcX1 PHE 13 H 0.21 0.35 -0.36 -0.55 8.34 7.99 2dlcX1 PHE 13 HA 0.02 -0.00 0.35 -0.75 4.62 4.24 2dlcX1 PHE 13 HB2 0.01 0.17 0.16 -0.04 3.15 3.45 2dlcX1 PHE 13 HB3 0.01 0.07 0.11 -0.04 3.06 3.21 2dlcX1 PHE 13 HD2 0.01 0.03 -0.14 -0.04 7.28 7.14 2dlcX1 PHE 13 HE2 0.01 -0.02 -0.02 -0.04 7.38 7.31 2dlcX1 PHE 13 HZ 0.01 -0.08 -0.02 -0.04 7.32 7.20 2dlcX1 GLY 14 H 0.14 0.49 -0.25 -0.55 8.43 8.27 2dlcX1 GLY 14 HA2 0.03 -0.04 0.42 -0.51 4.01 3.92 2dlcX1 GLY 14 HA3 0.05 0.03 0.30 -0.51 4.01 3.88 2dlcX1 LEU 15 H 0.03 0.56 -0.14 -0.55 8.37 8.28 2dlcX1 LEU 15 HA -0.01 -0.01 0.44 -0.75 4.35 4.02 2dlcX1 LEU 15 HB2 0.05 0.10 0.17 -0.04 1.64 1.92 2dlcX1 LEU 15 HB3 0.05 0.11 -0.07 -0.04 1.64 1.69 2dlcX1 LEU 15 HG 0.06 -0.10 -0.01 -0.04 1.64 1.56 2dlcX1 LEU 15 HD13 0.09 -0.01 -0.17 -0.04 0.93 0.80 2dlcX1 LEU 15 HD23 0.09 0.01 0.05 -0.04 0.89 1.00 2dlcX1 ILE 16 H -0.03 0.50 -0.16 -0.55 8.25 8.01 2dlcX1 ILE 16 HA 0.24 0.05 0.29 -0.75 4.18 4.00 2dlcX1 ILE 16 HB -0.18 0.05 0.08 -0.04 1.89 1.81 2dlcX1 ILE 16 HG12 -0.05 -0.07 -0.07 -0.04 1.49 1.26 2dlcX1 ILE 16 HG13 0.07 0.06 -0.03 -0.04 1.21 1.27 2dlcX1 ILE 16 HG23 -0.17 -0.04 -0.18 -0.04 0.93 0.50 2dlcX1 ILE 16 HD13 0.01 -0.02 -0.22 -0.04 0.88 0.61 2dlcX1 THR 17 H -0.20 0.37 -0.30 -0.55 8.28 7.60 2dlcX1 THR 17 HA -0.10 0.12 0.54 -0.75 4.39 4.20 2dlcX1 THR 17 HB -0.15 -0.10 0.06 -0.04 4.32 4.09 2dlcX1 THR 17 HG23 -0.74 -0.01 -0.08 -0.04 1.22 0.35 2dlcX1 LYS 18 H -0.08 0.31 -0.33 -0.55 8.42 7.76 2dlcX1 LYS 18 HA -0.04 -0.06 0.40 -0.75 4.32 3.86 2dlcX1 LYS 18 HB2 -0.05 -0.13 0.06 -0.04 1.87 1.70 2dlcX1 LYS 18 HB3 -0.05 0.24 0.15 -0.04 1.79 2.08 2dlcX1 LYS 18 HG2 -0.08 0.32 0.09 -0.04 1.46 1.75 2dlcX1 LYS 18 HG3 -0.08 -0.04 -0.15 -0.04 1.46 1.14 2dlcX1 LYS 18 HD2 -0.07 -0.06 -0.03 -0.04 1.69 1.49 2dlcX1 LYS 18 HD3 -0.05 0.04 0.01 -0.04 1.68 1.64 2dlcX1 LYS 18 HE2 -0.06 0.05 -0.10 -0.04 2.99 2.84 2dlcX1 LYS 18 HE3 -0.07 -0.08 -0.09 -0.04 2.99 2.71 2dlcX1 ASN 19 H -0.03 0.08 0.17 -0.55 8.53 8.21 2dlcX1 ASN 19 HA -0.01 -0.04 0.32 -0.75 4.76 4.28 2dlcX1 ASN 19 HB2 -0.05 0.26 -0.03 -0.04 2.88 3.01 2dlcX1 ASN 19 HB3 -0.01 -0.03 0.17 -0.04 2.79 2.88 2dlcX1 ASN 19 HD21 -0.05 -0.03 -0.10 -0.04 7.03 6.80 2dlcX1 ASN 19 HD22 -0.06 0.10 -0.14 -0.04 7.74 7.60 2dlcX1 LEU 20 H -0.01 0.28 -0.44 -0.55 8.37 7.66 2dlcX1 LEU 20 HA 0.05 0.05 0.71 -0.75 4.35 4.40 2dlcX1 LEU 20 HB2 0.02 0.08 -0.04 -0.04 1.64 1.66 2dlcX1 LEU 20 HB3 0.08 -0.04 -0.04 -0.04 1.64 1.60 2dlcX1 LEU 20 HG -0.01 0.19 -0.36 -0.04 1.64 1.41 2dlcX1 LEU 20 HD13 0.07 -0.02 -0.03 -0.04 0.93 0.91 2dlcX1 LEU 20 HD23 0.12 -0.03 -0.30 -0.04 0.89 0.64 2dlcX1 GLN 21 H 0.04 0.29 0.30 -0.55 8.47 8.54 2dlcX1 GLN 21 HA 0.02 0.10 0.65 -0.75 4.36 4.38 2dlcX1 GLN 21 HB2 -0.03 -0.03 0.04 -0.04 2.15 2.09 2dlcX1 GLN 21 HB3 0.00 -0.01 -0.05 -0.04 2.02 1.93 2dlcX1 GLN 21 HG2 0.01 -0.00 -0.01 -0.04 2.40 2.35 2dlcX1 GLN 21 HG3 0.00 0.02 0.07 -0.04 2.39 2.45 2dlcX1 GLN 21 HE21 -0.03 -0.03 0.01 -0.04 6.97 6.88 2dlcX1 GLN 21 HE22 -0.01 0.01 -0.02 -0.04 7.69 7.64 2dlcX1 GLU 22 H 0.07 0.39 0.12 -0.55 8.60 8.63 2dlcX1 GLU 22 HA 0.05 0.14 0.68 -0.75 4.29 4.41 2dlcX1 GLU 22 HB2 0.04 0.03 -0.30 -0.04 2.09 1.82 2dlcX1 GLU 22 HB3 0.07 -0.06 -0.05 -0.04 1.99 1.90 2dlcX1 GLU 22 HG2 0.07 0.00 -0.25 -0.04 2.34 2.13 2dlcX1 GLU 22 HG3 0.05 0.05 0.06 -0.04 2.34 2.45 2dlcX1 VAL 23 H 0.07 0.22 0.12 -0.55 8.24 8.10 2dlcX1 VAL 23 HA 0.10 0.32 1.04 -0.75 4.13 4.83 2dlcX1 VAL 23 HB 0.08 -0.06 0.12 -0.04 2.12 2.22 2dlcX1 VAL 23 HG13 0.07 -0.01 -0.20 -0.04 0.97 0.78 2dlcX1 VAL 23 HG23 0.01 0.01 -0.11 -0.04 0.95 0.82 2dlcX1 LEU 24 H 0.13 0.77 0.28 -0.55 8.37 9.01 2dlcX1 LEU 24 HA 0.09 0.10 0.92 -0.75 4.35 4.70 2dlcX1 LEU 24 HB2 0.20 0.01 0.18 -0.04 1.64 1.98 2dlcX1 LEU 24 HB3 0.13 0.03 0.02 -0.04 1.64 1.78 2dlcX1 LEU 24 HG 0.12 -0.01 -0.15 -0.04 1.64 1.56 2dlcX1 LEU 24 HD13 0.09 0.00 -0.07 -0.04 0.93 0.92 2dlcX1 LEU 24 HD23 0.07 0.02 -0.01 -0.04 0.89 0.92 2dlcX1 ASN 25 H 0.07 0.15 0.16 -0.55 8.53 8.37 2dlcX1 ASN 25 HA 0.05 0.01 0.39 -0.75 4.76 4.45 2dlcX1 ASN 25 HB2 0.05 0.20 0.05 -0.04 2.88 3.14 2dlcX1 ASN 25 HB3 0.04 -0.11 0.17 -0.04 2.79 2.85 2dlcX1 ASN 25 HD21 0.08 0.03 -0.05 -0.04 7.03 7.05 2dlcX1 ASN 25 HD22 0.12 0.08 -0.19 -0.04 7.74 7.71 2dlcX1 PRO 26 HA 0.20 0.12 0.39 -0.51 4.44 4.63 2dlcX1 PRO 26 HB2 0.20 0.04 -0.06 -0.04 2.28 2.42 2dlcX1 PRO 26 HB3 0.31 0.10 0.03 -0.04 2.02 2.42 2dlcX1 PRO 26 HG2 0.07 -0.01 0.04 -0.04 2.03 2.09 2dlcX1 PRO 26 HG3 0.11 0.12 0.04 -0.04 2.03 2.26 2dlcX1 PRO 26 HD2 0.07 0.01 0.19 -0.04 3.68 3.91 2dlcX1 PRO 26 HD3 0.10 0.28 -0.17 -0.04 3.65 3.81 2dlcX1 GLN 27 H 0.04 0.10 -0.32 -0.55 8.47 7.74 2dlcX1 GLN 27 HA -0.03 0.07 0.35 -0.75 4.36 4.00 2dlcX1 GLN 27 HB2 0.01 0.07 -0.10 -0.04 2.15 2.09 2dlcX1 GLN 27 HB3 -0.01 0.04 0.04 -0.04 2.02 2.05 2dlcX1 GLN 27 HG2 0.01 0.06 0.01 -0.04 2.40 2.44 2dlcX1 GLN 27 HG3 0.01 -0.02 0.03 -0.04 2.39 2.37 2dlcX1 GLN 27 HE21 0.03 0.03 0.02 -0.04 6.97 7.02 2dlcX1 GLN 27 HE22 0.02 0.08 -0.05 -0.04 7.69 7.70 2dlcX1 ILE 28 H 0.03 0.28 -0.27 -0.55 8.25 7.74 2dlcX1 ILE 28 HA 0.00 0.06 0.49 -0.75 4.18 3.98 2dlcX1 ILE 28 HB 0.01 0.18 0.18 -0.04 1.89 2.21 2dlcX1 ILE 28 HG12 0.00 0.03 0.01 -0.04 1.49 1.50 2dlcX1 ILE 28 HG13 0.01 -0.15 -0.01 -0.04 1.21 1.02 2dlcX1 ILE 28 HG23 -0.02 0.01 -0.03 -0.04 0.93 0.84 2dlcX1 ILE 28 HD13 0.00 0.04 -0.24 -0.04 0.88 0.64 2dlcX1 ILE 29 H 0.07 0.22 -0.12 -0.55 8.25 7.87 2dlcX1 ILE 29 HA 0.04 0.06 0.39 -0.75 4.18 3.92 2dlcX1 ILE 29 HB 0.32 0.09 0.14 -0.04 1.89 2.39 2dlcX1 ILE 29 HG12 -0.02 0.02 -0.07 -0.04 1.49 1.37 2dlcX1 ILE 29 HG13 0.01 -0.04 -0.01 -0.04 1.21 1.13 2dlcX1 ILE 29 HG23 0.19 0.01 -0.14 -0.04 0.93 0.95 2dlcX1 ILE 29 HD13 -0.01 0.00 -0.12 -0.04 0.88 0.70 2dlcX1 LYS 30 H 0.05 0.57 -0.07 -0.55 8.42 8.42 2dlcX1 LYS 30 HA -0.05 0.05 0.40 -0.75 4.32 3.96 2dlcX1 LYS 30 HB2 -0.10 0.02 0.12 -0.04 1.87 1.87 2dlcX1 LYS 30 HB3 -0.14 -0.03 -0.02 -0.04 1.79 1.56 2dlcX1 LYS 30 HG2 -0.61 0.01 0.01 -0.04 1.46 0.84 2dlcX1 LYS 30 HG3 -0.60 0.08 -0.00 -0.04 1.46 0.90 2dlcX1 LYS 30 HD2 -0.24 -0.05 -0.09 -0.04 1.69 1.27 2dlcX1 LYS 30 HD3 -0.28 -0.01 -0.04 -0.04 1.68 1.32 2dlcX1 LYS 30 HE2 -0.38 -0.01 -0.04 -0.04 2.99 2.52 2dlcX1 LYS 30 HE3 -1.33 0.03 -0.04 -0.04 2.99 1.61 2dlcX1 ASP 31 H -0.01 0.63 -0.19 -0.55 8.40 8.28 2dlcX1 ASP 31 HA -0.02 -0.05 0.53 -0.75 4.63 4.34 2dlcX1 ASP 31 HB2 -0.01 -0.01 0.13 -0.04 2.71 2.77 2dlcX1 ASP 31 HB3 -0.01 0.16 0.22 -0.04 2.70 3.03 2dlcX1 VAL 32 H 0.00 0.54 -0.11 -0.55 8.24 8.13 2dlcX1 VAL 32 HA -0.01 -0.01 0.43 -0.75 4.13 3.78 2dlcX1 VAL 32 HB 0.01 0.12 0.18 -0.04 2.12 2.39 2dlcX1 VAL 32 HG13 -0.01 -0.00 -0.24 -0.04 0.97 0.68 2dlcX1 VAL 32 HG23 -0.01 0.04 0.06 -0.04 0.95 0.99 2dlcX1 LEU 33 H 0.01 0.46 -0.10 -0.55 8.37 8.20 2dlcX1 LEU 33 HA -0.01 0.26 0.46 -0.75 4.35 4.31 2dlcX1 LEU 33 HB2 0.04 -0.01 0.12 -0.04 1.64 1.74 2dlcX1 LEU 33 HB3 0.03 -0.07 0.06 -0.04 1.64 1.63 2dlcX1 LEU 33 HG 0.06 0.09 0.04 -0.04 1.64 1.79 2dlcX1 LEU 33 HD13 0.18 -0.03 -0.09 -0.04 0.93 0.95 2dlcX1 LEU 33 HD23 0.05 0.05 -0.02 -0.04 0.89 0.93 2dlcX1 GLU 34 H -0.02 0.45 -0.05 -0.55 8.60 8.43 2dlcX1 GLU 34 HA -0.02 0.15 0.71 -0.75 4.29 4.38 2dlcX1 GLU 34 HB2 -0.04 0.10 0.13 -0.04 2.09 2.24 2dlcX1 GLU 34 HB3 -0.03 -0.06 0.01 -0.04 1.99 1.87 2dlcX1 GLU 34 HG2 -0.03 -0.05 -0.06 -0.04 2.34 2.15 2dlcX1 GLU 34 HG3 -0.04 0.01 -0.01 -0.04 2.34 2.26 2dlcX1 VAL 35 H -0.02 0.30 0.15 -0.55 8.24 8.12 2dlcX1 VAL 35 HA -0.02 0.12 0.72 -0.75 4.13 4.19 2dlcX1 VAL 35 HB -0.02 0.11 0.25 -0.04 2.12 2.42 2dlcX1 VAL 35 HG13 -0.02 -0.01 -0.08 -0.04 0.97 0.82 2dlcX1 VAL 35 HG23 -0.02 -0.02 0.01 -0.04 0.95 0.88 2dlcX1 GLN 36 H -0.02 0.56 0.19 -0.55 8.47 8.66 2dlcX1 GLN 36 HA -0.02 0.03 0.50 -0.75 4.36 4.11 2dlcX1 GLN 36 HB2 -0.02 0.08 0.21 -0.04 2.15 2.38 2dlcX1 GLN 36 HB3 -0.02 -0.00 -0.00 -0.04 2.02 1.95 2dlcX1 GLN 36 HG2 -0.02 -0.01 0.02 -0.04 2.40 2.35 2dlcX1 GLN 36 HG3 -0.02 -0.06 -0.02 -0.04 2.39 2.25 2dlcX1 GLN 36 HE21 -0.01 0.00 -0.03 -0.04 6.97 6.89 2dlcX1 GLN 36 HE22 -0.01 -0.03 -0.14 -0.04 7.69 7.46 2dlcX1 LYS 37 H -0.03 -0.03 -0.69 -0.55 8.42 7.11 2dlcX1 LYS 37 HA -0.05 0.26 0.19 -0.75 4.32 3.97 2dlcX1 LYS 37 HB2 -0.04 0.07 -0.19 -0.04 1.87 1.67 2dlcX1 LYS 37 HB3 -0.05 -0.09 0.15 -0.04 1.79 1.76 2dlcX1 LYS 37 HG2 -0.03 -0.02 0.02 -0.04 1.46 1.39 2dlcX1 LYS 37 HG3 -0.03 0.11 -0.39 -0.04 1.46 1.11 2dlcX1 LYS 37 HD2 -0.02 -0.02 -0.06 -0.04 1.69 1.54 2dlcX1 LYS 37 HD3 -0.02 -0.10 0.01 -0.04 1.68 1.52 2dlcX1 LYS 37 HE2 -0.02 0.19 0.11 -0.04 2.99 3.23 2dlcX1 LYS 37 HE3 -0.02 0.04 0.05 -0.04 2.99 3.02 2dlcX1 ARG 38 H -0.06 0.45 0.00 -0.55 8.46 8.30 2dlcX1 ARG 38 HA -0.18 0.11 0.59 -0.75 4.34 4.11 2dlcX1 ARG 38 HB2 -0.04 -0.07 0.12 -0.04 1.90 1.86 2dlcX1 ARG 38 HB3 -0.05 0.08 -0.05 -0.04 1.80 1.74 2dlcX1 ARG 38 HG2 -0.03 0.00 -0.26 -0.04 1.67 1.34 2dlcX1 ARG 38 HG3 -0.03 0.00 -0.22 -0.04 1.67 1.38 2dlcX1 ARG 38 HD2 -0.01 0.06 -0.04 -0.04 3.22 3.19 2dlcX1 ARG 38 HD3 -0.02 -0.02 -0.04 -0.04 3.22 3.09 2dlcX1 HIS 39 H -0.09 0.10 0.10 -0.55 8.41 7.97 2dlcX1 HIS 39 HA -0.00 0.09 0.52 -0.75 4.63 4.48 2dlcX1 HIS 39 HB2 -0.01 -0.09 0.08 -0.04 3.26 3.21 2dlcX1 HIS 39 HB3 -0.01 0.16 -0.01 -0.04 3.20 3.30 2dlcX1 HIS 39 HD2 -0.00 -0.07 0.04 -0.04 6.97 6.89 2dlcX1 HIS 39 HE1 0.01 0.00 -0.01 -0.04 7.75 7.71 2dlcX1 LEU 40 H 0.08 0.14 0.06 -0.55 8.37 8.11 2dlcX1 LEU 40 HA 0.00 0.05 0.46 -0.75 4.35 4.11 2dlcX1 LEU 40 HB2 0.00 0.04 0.04 -0.04 1.64 1.67 2dlcX1 LEU 40 HB3 -0.04 -0.00 0.02 -0.04 1.64 1.57 2dlcX1 LEU 40 HG -0.09 0.05 -0.31 -0.04 1.64 1.25 2dlcX1 LEU 40 HD13 -0.03 -0.01 -0.03 -0.04 0.93 0.82 2dlcX1 LEU 40 HD23 -0.15 -0.01 -0.16 -0.04 0.89 0.53 2dlcX1 LYS 41 H -0.02 0.12 0.21 -0.55 8.42 8.18 2dlcX1 LYS 41 HA -0.02 0.27 1.02 -0.75 4.32 4.84 2dlcX1 LYS 41 HB2 -0.02 -0.18 0.29 -0.04 1.87 1.92 2dlcX1 LYS 41 HB3 -0.01 0.14 0.14 -0.04 1.79 2.01 2dlcX1 LYS 41 HG2 0.00 0.01 -0.01 -0.04 1.46 1.42 2dlcX1 LYS 41 HG3 -0.00 0.03 0.02 -0.04 1.46 1.47 2dlcX1 LYS 41 HD2 -0.02 0.13 0.09 -0.04 1.69 1.84 2dlcX1 LYS 41 HD3 -0.01 -0.05 0.03 -0.04 1.68 1.61 2dlcX1 LYS 41 HE2 -0.02 -0.06 0.01 -0.04 2.99 2.88 2dlcX1 LYS 41 HE3 -0.03 -0.08 0.03 -0.04 2.99 2.88 2dlcX1 LEU 42 H -0.03 0.73 0.32 -0.55 8.37 8.85 2dlcX1 LEU 42 HA -0.01 0.25 0.94 -0.75 4.35 4.78 2dlcX1 LEU 42 HB2 -0.17 -0.03 -0.06 -0.04 1.64 1.33 2dlcX1 LEU 42 HB3 -0.21 -0.07 -0.30 -0.04 1.64 1.02 2dlcX1 LEU 42 HG -0.19 0.06 -0.15 -0.04 1.64 1.32 2dlcX1 LEU 42 HD13 -0.18 -0.02 -0.33 -0.04 0.93 0.37 2dlcX1 LEU 42 HD23 -0.88 -0.01 -0.21 -0.04 0.89 -0.25 2dlcX1 TYR 43 H 0.03 0.37 0.37 -0.55 8.29 8.51 2dlcX1 TYR 43 HA 0.10 0.20 0.84 -0.75 4.56 4.95 2dlcX1 TYR 43 HB2 0.05 0.06 0.08 -0.04 3.06 3.21 2dlcX1 TYR 43 HB3 0.01 0.05 -0.19 -0.04 2.98 2.80 2dlcX1 TYR 43 HD2 -0.00 0.03 -0.22 -0.04 7.15 6.92 2dlcX1 TYR 43 HE2 -0.03 -0.05 -0.13 -0.04 6.85 6.60 2dlcX1 TRP 44 H 0.41 0.71 0.43 -0.55 7.97 8.97 2dlcX1 TRP 44 HA -0.08 0.36 0.98 -0.75 4.62 5.13 2dlcX1 TRP 44 HB2 0.39 0.02 -0.01 -0.04 3.23 3.58 2dlcX1 TRP 44 HB3 0.16 -0.00 0.15 -0.04 3.23 3.50 2dlcX1 TRP 44 HD1 -0.44 0.11 -0.11 -0.04 7.22 6.75 2dlcX1 TRP 44 HE1 -0.25 -0.11 -0.01 -0.04 10.20 9.80 2dlcX1 TRP 44 HE3 0.09 -0.03 -0.07 -0.04 7.59 7.55 2dlcX1 TRP 44 HZ2 -0.16 -0.05 -0.05 -0.04 7.44 7.14 2dlcX1 TRP 44 HZ3 0.18 -0.01 -0.11 -0.04 7.13 7.15 2dlcX1 TRP 44 HH2 0.36 -0.02 -0.08 -0.04 7.19 7.40 2dlcX1 GLY 45 H -0.47 0.26 0.22 -0.55 8.43 7.90 2dlcX1 GLY 45 HA2 -0.18 0.18 1.06 -0.51 4.01 4.56 2dlcX1 GLY 45 HA3 -0.13 -0.03 0.32 -0.51 4.01 3.66 2dlcX1 THR 46 H -0.31 0.71 0.38 -0.55 8.28 8.52 2dlcX1 THR 46 HA -0.34 0.12 0.85 -0.75 4.39 4.27 2dlcX1 THR 46 HB -1.11 0.05 -0.18 -0.04 4.32 3.04 2dlcX1 THR 46 HG23 0.13 0.01 -0.09 -0.04 1.22 1.23 2dlcX1 ALA 47 H -0.04 0.20 0.09 -0.55 8.40 8.10 2dlcX1 ALA 47 HA -0.10 0.14 0.67 -0.75 4.34 4.30 2dlcX1 ALA 47 HB3 0.06 0.00 -0.03 -0.04 1.41 1.41 2dlcX1 PRO 48 HA -1.84 0.09 0.26 -0.51 4.44 2.43 2dlcX1 PRO 48 HB2 -0.15 0.03 0.10 -0.04 2.28 2.23 2dlcX1 PRO 48 HB3 -0.29 0.09 -0.41 -0.04 2.02 1.36 2dlcX1 PRO 48 HG2 -0.11 -0.08 -0.09 -0.04 2.03 1.71 2dlcX1 PRO 48 HG3 -0.23 0.06 -0.05 -0.04 2.03 1.77 2dlcX1 PRO 48 HD2 -0.10 0.10 -0.16 -0.04 3.68 3.48 2dlcX1 PRO 48 HD3 -0.15 0.15 0.08 -0.04 3.65 3.69 2dlcX1 THR 49 H -0.01 0.24 0.22 -0.55 8.28 8.18 2dlcX1 THR 49 HA 0.10 0.10 0.33 -0.75 4.39 4.16 2dlcX1 THR 49 HB 0.12 0.28 0.06 -0.04 4.32 4.75 2dlcX1 THR 49 HG23 0.19 0.08 0.11 -0.04 1.22 1.56 2dlcX1 GLY 50 H 0.24 0.02 0.08 -0.55 8.43 8.23 2dlcX1 GLY 50 HA2 0.31 0.19 0.61 -0.51 4.01 4.61 2dlcX1 GLY 50 HA3 0.18 -0.01 0.31 -0.51 4.01 3.98 2dlcX1 ARG 51 H -0.09 0.09 0.10 -0.55 8.46 8.01 2dlcX1 ARG 51 HA 0.04 0.15 0.47 -0.75 4.34 4.24 2dlcX1 ARG 51 HB2 -0.15 -0.08 0.09 -0.04 1.90 1.72 2dlcX1 ARG 51 HB3 -0.10 0.01 0.02 -0.04 1.80 1.69 2dlcX1 ARG 51 HG2 -1.09 0.07 -0.01 -0.04 1.67 0.60 2dlcX1 ARG 51 HG3 -0.82 -0.01 0.07 -0.04 1.67 0.86 2dlcX1 ARG 51 HD2 -0.31 -0.05 0.01 -0.04 3.22 2.82 2dlcX1 ARG 51 HD3 -0.30 -0.04 -0.01 -0.04 3.22 2.82 2dlcX1 PRO 52 HA -0.51 0.01 0.43 -0.51 4.44 3.85 2dlcX1 PRO 52 HB2 -0.60 0.01 -0.01 -0.04 2.28 1.64 2dlcX1 PRO 52 HB3 -1.62 0.01 0.07 -0.04 2.02 0.44 2dlcX1 PRO 52 HG2 -0.88 0.04 0.04 -0.04 2.03 1.19 2dlcX1 PRO 52 HG3 -1.43 0.07 0.04 -0.04 2.03 0.66 2dlcX1 PRO 52 HD2 -0.08 0.06 0.15 -0.04 3.68 3.76 2dlcX1 PRO 52 HD3 -0.17 0.25 0.21 -0.04 3.65 3.89 2dlcX1 HIS 53 H -0.57 0.07 0.17 -0.55 8.41 7.54 2dlcX1 HIS 53 HA -0.01 0.17 0.86 -0.75 4.63 4.89 2dlcX1 HIS 53 HB2 0.11 -0.11 0.12 -0.04 3.26 3.33 2dlcX1 HIS 53 HB3 0.05 0.08 -0.17 -0.04 3.20 3.12 2dlcX1 HIS 53 HD2 0.16 0.15 -0.01 -0.04 6.97 7.22 2dlcX1 HIS 53 HE1 0.14 0.07 -0.00 -0.04 7.75 7.92 2dlcX1 CYS 54 H 0.29 0.51 0.25 -0.55 8.50 8.99 2dlcX1 CYS 54 HA 0.19 0.13 0.37 -0.75 4.58 4.51 2dlcX1 CYS 54 HB2 0.42 -0.08 0.13 -0.04 2.97 3.39 2dlcX1 CYS 54 HB3 0.82 0.03 0.06 -0.04 2.97 3.84 2dlcX1 GLY 55 H 0.66 0.03 -0.29 -0.55 8.43 8.28 2dlcX1 GLY 55 HA2 0.25 0.11 0.52 -0.51 4.01 4.38 2dlcX1 GLY 55 HA3 0.37 0.04 0.29 -0.51 4.01 4.20 2dlcX1 TYR 56 H 0.16 0.48 -0.29 -0.55 8.29 8.09 2dlcX1 TYR 56 HA -0.02 0.04 0.32 -0.75 4.56 4.15 2dlcX1 TYR 56 HB2 -0.24 0.25 0.07 -0.04 3.06 3.09 2dlcX1 TYR 56 HB3 -0.14 0.01 0.01 -0.04 2.98 2.82 2dlcX1 TYR 56 HD2 -0.21 -0.02 0.01 -0.04 7.15 6.90 2dlcX1 TYR 56 HE2 0.06 0.00 -0.01 -0.04 6.85 6.85 2dlcX1 PHE 57 H 0.13 0.37 -0.48 -0.55 8.34 7.81 2dlcX1 PHE 57 HA -0.00 0.04 0.39 -0.75 4.62 4.29 2dlcX1 PHE 57 HB2 -0.01 0.16 0.13 -0.04 3.15 3.39 2dlcX1 PHE 57 HB3 -0.04 0.04 -0.02 -0.04 3.06 3.00 2dlcX1 PHE 57 HD2 0.09 0.06 0.06 -0.04 7.28 7.44 2dlcX1 PHE 57 HE2 0.10 0.02 -0.04 -0.04 7.38 7.41 2dlcX1 PHE 57 HZ 0.07 0.09 -0.13 -0.04 7.32 7.31 2dlcX1 VAL 58 H 0.08 0.29 -0.18 -0.55 8.24 7.88 2dlcX1 VAL 58 HA 0.01 0.13 0.42 -0.75 4.13 3.94 2dlcX1 VAL 58 HB -0.00 0.01 0.16 -0.04 2.12 2.25 2dlcX1 VAL 58 HG13 -0.00 0.03 -0.02 -0.04 0.97 0.94 2dlcX1 VAL 58 HG23 0.01 0.06 0.07 -0.04 0.95 1.04 2dlcX1 PRO 59 HA 0.21 0.04 0.50 -0.51 4.44 4.68 2dlcX1 PRO 59 HB2 -0.92 0.06 -0.10 -0.04 2.28 1.28 2dlcX1 PRO 59 HB3 -0.31 -0.04 0.03 -0.04 2.02 1.66 2dlcX1 PRO 59 HG2 -0.17 0.16 0.08 -0.04 2.03 2.06 2dlcX1 PRO 59 HG3 -0.03 -0.06 0.03 -0.04 2.03 1.93 2dlcX1 PRO 59 HD2 -0.04 0.14 0.07 -0.04 3.68 3.81 2dlcX1 PRO 59 HD3 -0.03 0.07 0.08 -0.04 3.65 3.73 2dlcX1 MET 60 H -0.14 0.38 -0.46 -0.55 8.47 7.70 2dlcX1 MET 60 HA -0.26 -0.02 0.36 -0.75 4.52 3.85 2dlcX1 MET 60 HB2 0.01 0.15 0.11 -0.04 2.15 2.37 2dlcX1 MET 60 HB3 -0.04 -0.01 -0.05 -0.04 2.03 1.89 2dlcX1 MET 60 HG2 -0.14 0.31 0.02 -0.04 2.63 2.78 2dlcX1 MET 60 HG3 -0.10 -0.06 -0.06 -0.04 2.56 2.30 2dlcX1 MET 60 HE3 -0.88 -0.02 -0.22 -0.04 2.10 0.94 2dlcX1 THR 61 H -0.07 0.52 -0.08 -0.55 8.28 8.11 2dlcX1 THR 61 HA -0.09 0.08 0.46 -0.75 4.39 4.09 2dlcX1 THR 61 HB -0.08 0.00 -0.03 -0.04 4.32 4.17 2dlcX1 THR 61 HG23 -0.01 0.05 -0.07 -0.04 1.22 1.16 2dlcX1 LYS 62 H -0.26 0.31 -0.28 -0.55 8.42 7.64 2dlcX1 LYS 62 HA -0.62 0.12 0.48 -0.75 4.32 3.54 2dlcX1 LYS 62 HB2 -0.54 0.05 0.13 -0.04 1.87 1.47 2dlcX1 LYS 62 HB3 -1.61 -0.05 -0.06 -0.04 1.79 0.03 2dlcX1 LYS 62 HG2 -0.16 0.07 -0.03 -0.04 1.46 1.29 2dlcX1 LYS 62 HG3 -0.33 -0.10 -0.09 -0.04 1.46 0.90 2dlcX1 LYS 62 HD2 -0.33 -0.05 -0.11 -0.04 1.69 1.16 2dlcX1 LYS 62 HD3 -0.17 0.09 -0.09 -0.04 1.68 1.46 2dlcX1 LYS 62 HE2 -0.24 -0.05 -0.09 -0.04 2.99 2.56 2dlcX1 LYS 62 HE3 -0.89 -0.13 0.01 -0.04 2.99 1.94 2dlcX1 LEU 63 H -0.43 0.58 -0.07 -0.55 8.37 7.90 2dlcX1 LEU 63 HA -0.19 -0.03 0.40 -0.75 4.35 3.78 2dlcX1 LEU 63 HB2 -0.20 0.19 0.08 -0.04 1.64 1.68 2dlcX1 LEU 63 HB3 -0.09 -0.04 -0.05 -0.04 1.64 1.41 2dlcX1 LEU 63 HG -0.40 0.17 -0.07 -0.04 1.64 1.29 2dlcX1 LEU 63 HD13 -0.17 -0.02 -0.10 -0.04 0.93 0.60 2dlcX1 LEU 63 HD23 0.04 -0.04 -0.10 -0.04 0.89 0.76 2dlcX1 ALA 64 H -0.22 0.41 -0.40 -0.55 8.40 7.64 2dlcX1 ALA 64 HA -0.08 -0.00 0.42 -0.75 4.34 3.92 2dlcX1 ALA 64 HB3 -0.08 0.07 0.09 -0.04 1.41 1.45 2dlcX1 ASP 65 H -0.27 0.51 -0.07 -0.55 8.40 8.03 2dlcX1 ASP 65 HA -0.05 -0.01 0.45 -0.75 4.63 4.28 2dlcX1 ASP 65 HB2 -0.48 0.10 0.15 -0.04 2.71 2.44 2dlcX1 ASP 65 HB3 -0.13 0.14 0.01 -0.04 2.70 2.68 2dlcX1 PHE 66 H -0.37 0.53 -0.32 -0.55 8.34 7.64 2dlcX1 PHE 66 HA -0.09 -0.00 0.30 -0.75 4.62 4.07 2dlcX1 PHE 66 HB2 -0.11 0.12 0.09 -0.04 3.15 3.21 2dlcX1 PHE 66 HB3 -0.08 -0.10 -0.12 -0.04 3.06 2.72 2dlcX1 PHE 66 HD2 -0.16 -0.06 -0.16 -0.04 7.28 6.86 2dlcX1 PHE 66 HE2 -0.53 0.11 -0.07 -0.04 7.38 6.86 2dlcX1 PHE 66 HZ -0.84 -0.07 -0.10 -0.04 7.32 6.27 2dlcX1 LEU 67 H 0.04 0.62 -0.04 -0.55 8.37 8.44 2dlcX1 LEU 67 HA 0.01 0.09 0.45 -0.75 4.35 4.14 2dlcX1 LEU 67 HB2 -0.02 0.13 0.13 -0.04 1.64 1.84 2dlcX1 LEU 67 HB3 -0.02 -0.05 0.02 -0.04 1.64 1.55 2dlcX1 LEU 67 HG 0.03 -0.03 0.01 -0.04 1.64 1.61 2dlcX1 LEU 67 HD13 -0.01 0.03 -0.12 -0.04 0.93 0.79 2dlcX1 LEU 67 HD23 0.00 -0.01 -0.10 -0.04 0.89 0.74 2dlcX1 LYS 68 H -0.01 0.52 -0.29 -0.55 8.42 8.08 2dlcX1 LYS 68 HA -0.02 0.00 0.46 -0.75 4.32 4.01 2dlcX1 LYS 68 HB2 -0.03 0.11 0.13 -0.04 1.87 2.04 2dlcX1 LYS 68 HB3 0.02 0.13 0.12 -0.04 1.79 2.02 2dlcX1 LYS 68 HG2 0.07 -0.04 -0.01 -0.04 1.46 1.45 2dlcX1 LYS 68 HG3 0.02 -0.05 -0.01 -0.04 1.46 1.39 2dlcX1 LYS 68 HD2 -0.08 -0.03 0.08 -0.04 1.69 1.62 2dlcX1 LYS 68 HD3 -0.14 0.07 0.04 -0.04 1.68 1.61 2dlcX1 LYS 68 HE2 -0.09 -0.05 0.01 -0.04 2.99 2.82 2dlcX1 LYS 68 HE3 -0.15 -0.06 0.04 -0.04 2.99 2.77 2dlcX1 ALA 69 H 0.04 0.35 -0.37 -0.55 8.40 7.88 2dlcX1 ALA 69 HA 0.05 0.04 0.52 -0.75 4.34 4.21 2dlcX1 ALA 69 HB3 0.07 -0.02 0.12 -0.04 1.41 1.55 2dlcX1 GLY 70 H -0.02 0.38 -0.53 -0.55 8.43 7.72 2dlcX1 GLY 70 HA2 -0.19 0.04 0.28 -0.51 4.01 3.63 2dlcX1 GLY 70 HA3 -0.18 0.05 0.61 -0.51 4.01 3.98 2dlcX1 CYS 71 H -0.00 0.36 -0.12 -0.55 8.50 8.18 2dlcX1 CYS 71 HA 0.00 -0.01 0.38 -0.75 4.58 4.21 2dlcX1 CYS 71 HB2 0.02 -0.03 -0.21 -0.04 2.97 2.71 2dlcX1 CYS 71 HB3 -0.08 0.03 -0.16 -0.04 2.97 2.72 2dlcX1 GLU 72 H -0.00 0.47 0.17 -0.55 8.60 8.69 2dlcX1 GLU 72 HA -0.02 0.13 0.79 -0.75 4.29 4.44 2dlcX1 GLU 72 HB2 0.00 -0.02 0.19 -0.04 2.09 2.23 2dlcX1 GLU 72 HB3 -0.00 -0.02 0.06 -0.04 1.99 1.98 2dlcX1 GLU 72 HG2 -0.00 0.01 0.05 -0.04 2.34 2.35 2dlcX1 GLU 72 HG3 0.00 0.05 -0.01 -0.04 2.34 2.34 2dlcX1 VAL 73 H 0.00 0.30 0.08 -0.55 8.24 8.07 2dlcX1 VAL 73 HA 0.03 0.24 0.88 -0.75 4.13 4.53 2dlcX1 VAL 73 HB 0.03 -0.02 0.03 -0.04 2.12 2.12 2dlcX1 VAL 73 HG13 0.13 -0.02 -0.17 -0.04 0.97 0.87 2dlcX1 VAL 73 HG23 0.07 0.06 -0.29 -0.04 0.95 0.74 2dlcX1 THR 74 H 0.10 0.50 0.39 -0.55 8.28 8.72 2dlcX1 THR 74 HA -0.02 0.25 1.03 -0.75 4.39 4.89 2dlcX1 THR 74 HB 0.11 -0.02 0.10 -0.04 4.32 4.46 2dlcX1 THR 74 HG23 0.01 -0.04 -0.33 -0.04 1.22 0.82 2dlcX1 VAL 75 H -0.21 0.82 0.33 -0.55 8.24 8.63 2dlcX1 VAL 75 HA 0.27 0.32 1.17 -0.75 4.13 5.15 2dlcX1 VAL 75 HB 0.53 0.03 0.10 -0.04 2.12 2.74 2dlcX1 VAL 75 HG13 -0.58 0.03 -0.04 -0.04 0.97 0.34 2dlcX1 VAL 75 HG23 0.24 -0.03 -0.16 -0.04 0.95 0.95 2dlcX1 LEU 76 H 0.18 0.58 0.21 -0.55 8.37 8.79 2dlcX1 LEU 76 HA 0.07 0.21 0.90 -0.75 4.35 4.78 2dlcX1 LEU 76 HB2 0.02 0.08 -0.06 -0.04 1.64 1.64 2dlcX1 LEU 76 HB3 0.13 -0.06 0.11 -0.04 1.64 1.79 2dlcX1 LEU 76 HG -0.01 -0.13 -0.38 -0.04 1.64 1.07 2dlcX1 LEU 76 HD13 0.08 0.04 -0.19 -0.04 0.93 0.81 2dlcX1 LEU 76 HD23 -0.01 -0.00 -0.11 -0.04 0.89 0.73 2dlcX1 LEU 77 H 0.09 0.75 0.33 -0.55 8.37 8.99 2dlcX1 LEU 77 HA 0.02 0.23 0.84 -0.75 4.35 4.68 2dlcX1 LEU 77 HB2 0.08 -0.09 0.28 -0.04 1.64 1.86 2dlcX1 LEU 77 HB3 0.05 -0.03 0.15 -0.04 1.64 1.77 2dlcX1 LEU 77 HG 0.30 0.07 -0.03 -0.04 1.64 1.94 2dlcX1 LEU 77 HD13 0.17 0.01 -0.02 -0.04 0.93 1.05 2dlcX1 LEU 77 HD23 0.28 0.02 -0.08 -0.04 0.89 1.07 2dlcX1 ALA 78 H -0.09 0.83 0.18 -0.55 8.40 8.77 2dlcX1 ALA 78 HA -0.05 -0.06 0.45 -0.75 4.34 3.93 2dlcX1 ALA 78 HB3 -0.13 0.02 -0.05 -0.04 1.41 1.21 2dlcX1 ASP 79 H -0.06 0.36 0.24 -0.55 8.40 8.39 2dlcX1 ASP 79 HA -0.05 0.19 0.35 -0.75 4.63 4.37 2dlcX1 ASP 79 HB2 -0.06 0.08 -0.04 -0.04 2.71 2.65 2dlcX1 ASP 79 HB3 -0.05 0.10 0.08 -0.04 2.70 2.79 2dlcX1 LEU 80 H -0.08 0.01 -0.06 -0.55 8.37 7.69 2dlcX1 LEU 80 HA -0.02 0.14 0.44 -0.75 4.35 4.16 2dlcX1 LEU 80 HB2 -0.16 -0.10 0.01 -0.04 1.64 1.35 2dlcX1 LEU 80 HB3 -0.15 0.10 -0.12 -0.04 1.64 1.42 2dlcX1 LEU 80 HG -0.13 0.08 -0.03 -0.04 1.64 1.52 2dlcX1 LEU 80 HD13 -0.15 -0.00 -0.05 -0.04 0.93 0.69 2dlcX1 LEU 80 HD23 -0.23 0.01 -0.12 -0.04 0.89 0.50 2dlcX1 HIS 81 H 0.04 0.03 -0.31 -0.55 8.41 7.63 2dlcX1 HIS 81 HA -0.14 0.05 0.41 -0.75 4.63 4.20 2dlcX1 HIS 81 HB2 -0.18 0.06 0.04 -0.04 3.26 3.15 2dlcX1 HIS 81 HB3 -0.28 0.05 -0.12 -0.04 3.20 2.81 2dlcX1 HIS 81 HD2 -2.43 -0.01 -0.06 -0.04 6.97 4.43 2dlcX1 HIS 81 HE1 -0.08 0.06 -0.33 -0.04 7.75 7.35 2dlcX1 ALA 82 H 0.07 0.36 -0.33 -0.55 8.40 7.95 2dlcX1 ALA 82 HA 0.12 0.03 0.32 -0.75 4.34 4.05 2dlcX1 ALA 82 HB3 0.02 0.05 -0.09 -0.04 1.41 1.34 2dlcX1 PHE 83 H 0.18 0.25 -0.27 -0.55 8.34 7.94 2dlcX1 PHE 83 HA 0.00 0.31 0.62 -0.75 4.62 4.80 2dlcX1 PHE 83 HB2 -0.03 0.02 0.10 -0.04 3.15 3.20 2dlcX1 PHE 83 HB3 -0.04 0.11 0.18 -0.04 3.06 3.28 2dlcX1 PHE 83 HD2 -0.03 0.06 0.03 -0.04 7.28 7.30 2dlcX1 PHE 83 HE2 -0.02 -0.04 0.02 -0.04 7.38 7.30 2dlcX1 PHE 83 HZ -0.01 -0.00 0.01 -0.04 7.32 7.27 2dlcX1 LEU 84 H 0.10 0.36 -0.18 -0.55 8.37 8.10 2dlcX1 LEU 84 HA -0.19 0.00 0.34 -0.75 4.35 3.75 2dlcX1 LEU 84 HB2 0.05 0.06 0.08 -0.04 1.64 1.80 2dlcX1 LEU 84 HB3 0.06 0.03 0.06 -0.04 1.64 1.75 2dlcX1 LEU 84 HG 0.14 0.06 -0.01 -0.04 1.64 1.79 2dlcX1 LEU 84 HD13 -0.17 -0.03 -0.17 -0.04 0.93 0.52 2dlcX1 LEU 84 HD23 0.04 -0.01 0.02 -0.04 0.89 0.89 2dlcX1 ASP 85 H 0.11 0.38 -0.42 -0.55 8.40 7.92 2dlcX1 ASP 85 HA -0.04 0.08 0.74 -0.75 4.63 4.66 2dlcX1 ASP 85 HB2 0.19 0.05 0.07 -0.04 2.71 2.98 2dlcX1 ASP 85 HB3 0.09 0.04 0.18 -0.04 2.70 2.97 2dlcX1 ASN 86 H -0.08 0.30 -0.04 -0.55 8.53 8.16 2dlcX1 ASN 86 HA -0.09 -0.03 0.26 -0.75 4.76 4.14 2dlcX1 ASN 86 HB2 -0.04 0.07 -0.31 -0.04 2.88 2.55 2dlcX1 ASN 86 HB3 -0.04 0.03 0.12 -0.04 2.79 2.86 2dlcX1 ASN 86 HD21 -0.07 0.38 0.07 -0.04 7.03 7.37 2dlcX1 ASN 86 HD22 -0.07 -0.18 -0.07 -0.04 7.74 7.38 2dlcX1 MET 87 H -0.21 0.17 -0.51 -0.55 8.47 7.36 2dlcX1 MET 87 HA -0.24 0.20 0.25 -0.75 4.52 3.98 2dlcX1 MET 87 HB2 -0.06 -0.00 0.18 -0.04 2.15 2.23 2dlcX1 MET 87 HB3 -0.24 -0.07 0.06 -0.04 2.03 1.74 2dlcX1 MET 87 HG2 -0.17 -0.15 -0.42 -0.04 2.63 1.85 2dlcX1 MET 87 HG3 -0.08 0.28 -0.38 -0.04 2.56 2.34 2dlcX1 MET 87 HE3 -0.05 -0.01 -0.05 -0.04 2.10 1.95 2dlcX1 LYS 88 H -0.02 0.45 -0.19 -0.55 8.42 8.10 2dlcX1 LYS 88 HA 0.02 0.02 0.36 -0.75 4.32 3.97 2dlcX1 LYS 88 HB2 0.04 0.09 0.16 -0.04 1.87 2.13 2dlcX1 LYS 88 HB3 0.07 -0.11 -0.05 -0.04 1.79 1.66 2dlcX1 LYS 88 HG2 0.04 -0.07 0.02 -0.04 1.46 1.40 2dlcX1 LYS 88 HG3 0.01 0.06 -0.02 -0.04 1.46 1.46 2dlcX1 LYS 88 HD2 0.01 0.06 0.04 -0.04 1.69 1.76 2dlcX1 LYS 88 HD3 0.06 -0.07 0.03 -0.04 1.68 1.65 2dlcX1 LYS 88 HE2 0.03 -0.02 0.00 -0.04 2.99 2.96 2dlcX1 LYS 88 HE3 -0.01 -0.05 -0.02 -0.04 2.99 2.88 2dlcX1 ALA 89 H 0.05 0.41 -0.16 -0.55 8.40 8.16 2dlcX1 ALA 89 HA 0.04 0.25 0.68 -0.75 4.34 4.56 2dlcX1 ALA 89 HB3 0.03 -0.03 -0.01 -0.04 1.41 1.37 2dlcX1 PRO 90 HA 0.30 0.10 0.66 -0.51 4.44 4.98 2dlcX1 PRO 90 HB2 0.08 -0.09 0.02 -0.04 2.28 2.25 2dlcX1 PRO 90 HB3 0.09 0.12 0.08 -0.04 2.02 2.26 2dlcX1 PRO 90 HG2 0.03 -0.09 0.04 -0.04 2.03 1.97 2dlcX1 PRO 90 HG3 0.04 0.12 0.04 -0.04 2.03 2.19 2dlcX1 PRO 90 HD2 0.01 0.09 0.16 -0.04 3.68 3.90 2dlcX1 PRO 90 HD3 0.04 0.38 -0.01 -0.04 3.65 4.02 2dlcX1 LEU 91 H 0.14 0.16 0.15 -0.55 8.37 8.28 2dlcX1 LEU 91 HA -0.14 0.06 0.42 -0.75 4.35 3.93 2dlcX1 LEU 91 HB2 0.02 -0.01 0.06 -0.04 1.64 1.67 2dlcX1 LEU 91 HB3 -0.03 0.04 0.12 -0.04 1.64 1.73 2dlcX1 LEU 91 HG 0.01 0.01 0.12 -0.04 1.64 1.74 2dlcX1 LEU 91 HD13 0.01 0.02 0.04 -0.04 0.93 0.96 2dlcX1 LEU 91 HD23 -0.12 0.01 0.03 -0.04 0.89 0.77 2dlcX1 GLU 92 H 0.00 0.15 0.03 -0.55 8.60 8.24 2dlcX1 GLU 92 HA -0.03 0.08 0.43 -0.75 4.29 4.02 2dlcX1 GLU 92 HB2 0.06 0.10 -0.02 -0.04 2.09 2.18 2dlcX1 GLU 92 HB3 0.02 0.01 0.11 -0.04 1.99 2.09 2dlcX1 GLU 92 HG2 0.01 -0.07 0.11 -0.04 2.34 2.35 2dlcX1 GLU 92 HG3 0.02 0.06 0.03 -0.04 2.34 2.41 2dlcX1 VAL 93 H 0.02 0.28 -0.23 -0.55 8.24 7.76 2dlcX1 VAL 93 HA 0.12 0.14 0.50 -0.75 4.13 4.14 2dlcX1 VAL 93 HB 0.01 0.04 0.13 -0.04 2.12 2.26 2dlcX1 VAL 93 HG13 -0.11 0.00 0.05 -0.04 0.97 0.87 2dlcX1 VAL 93 HG23 0.00 0.03 0.02 -0.04 0.95 0.96 2dlcX1 VAL 94 H -0.00 0.41 -0.17 -0.55 8.24 7.93 2dlcX1 VAL 94 HA -0.02 0.17 0.26 -0.75 4.13 3.79 2dlcX1 VAL 94 HB 0.02 0.13 -0.17 -0.04 2.12 2.06 2dlcX1 VAL 94 HG13 -0.06 0.06 -0.08 -0.04 0.97 0.85 2dlcX1 VAL 94 HG23 -0.02 0.06 0.01 -0.04 0.95 0.96 2dlcX1 ASN 95 H -0.07 0.24 -0.26 -0.55 8.53 7.89 2dlcX1 ASN 95 HA -0.08 -0.02 0.43 -0.75 4.76 4.34 2dlcX1 ASN 95 HB2 -0.28 0.13 0.06 -0.04 2.88 2.76 2dlcX1 ASN 95 HB3 -0.24 0.00 0.00 -0.04 2.79 2.52 2dlcX1 ASN 95 HD21 -0.11 -0.02 0.00 -0.04 7.03 6.86 2dlcX1 ASN 95 HD22 -0.16 0.05 0.02 -0.04 7.74 7.61 2dlcX1 TYR 96 H -0.02 0.32 -0.20 -0.55 8.29 7.84 2dlcX1 TYR 96 HA 0.05 -0.01 0.51 -0.75 4.56 4.36 2dlcX1 TYR 96 HB2 -0.04 0.26 0.08 -0.04 3.06 3.32 2dlcX1 TYR 96 HB3 0.02 0.07 0.05 -0.04 2.98 3.09 2dlcX1 TYR 96 HD2 0.01 0.06 0.00 -0.04 7.15 7.19 2dlcX1 TYR 96 HE2 0.01 -0.01 -0.03 -0.04 6.85 6.77 2dlcX1 ARG 97 H 0.07 0.42 -0.13 -0.55 8.46 8.26 2dlcX1 ARG 97 HA 0.23 0.06 0.47 -0.75 4.34 4.35 2dlcX1 ARG 97 HB2 -0.01 0.04 0.16 -0.04 1.90 2.05 2dlcX1 ARG 97 HB3 0.09 -0.04 -0.11 -0.04 1.80 1.70 2dlcX1 ARG 97 HG2 -0.59 -0.06 -0.01 -0.04 1.67 0.96 2dlcX1 ARG 97 HG3 -0.20 0.13 0.01 -0.04 1.67 1.56 2dlcX1 ARG 97 HD2 -0.06 -0.01 0.03 -0.04 3.22 3.13 2dlcX1 ARG 97 HD3 -0.06 0.20 -0.04 -0.04 3.22 3.28 2dlcX1 ALA 98 H 0.04 0.74 -0.02 -0.55 8.40 8.61 2dlcX1 ALA 98 HA 0.04 -0.02 0.47 -0.75 4.34 4.08 2dlcX1 ALA 98 HB3 0.00 0.03 0.13 -0.04 1.41 1.53 2dlcX1 LYS 99 H 0.11 0.42 -0.23 -0.55 8.42 8.17 2dlcX1 LYS 99 HA 0.05 0.01 0.49 -0.75 4.32 4.11 2dlcX1 LYS 99 HB2 0.06 0.04 0.13 -0.04 1.87 2.05 2dlcX1 LYS 99 HB3 0.19 0.14 0.16 -0.04 1.79 2.23 2dlcX1 LYS 99 HG2 0.12 0.02 -0.08 -0.04 1.46 1.49 2dlcX1 LYS 99 HG3 0.04 -0.07 -0.07 -0.04 1.46 1.32 2dlcX1 LYS 99 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 2dlcX1 LYS 99 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.64 2dlcX1 LYS 99 HE2 -0.03 -0.01 -0.03 -0.04 2.99 2.87 2dlcX1 LYS 99 HE3 -0.06 -0.03 -0.00 -0.04 2.99 2.86 2dlcX1 TYR 100 H 0.38 0.70 -0.04 -0.55 8.29 8.78 2dlcX1 TYR 100 HA 0.32 -0.02 0.42 -0.75 4.56 4.52 2dlcX1 TYR 100 HB2 0.34 0.06 -0.03 -0.04 3.06 3.39 2dlcX1 TYR 100 HB3 0.39 0.13 0.14 -0.04 2.98 3.60 2dlcX1 TYR 100 HD2 0.39 0.05 -0.13 -0.04 7.15 7.42 2dlcX1 TYR 100 HE2 -0.09 -0.03 -0.02 -0.04 6.85 6.67 2dlcX1 TYR 101 H 0.52 0.63 -0.29 -0.55 8.29 8.60 2dlcX1 TYR 101 HA 0.04 0.01 0.44 -0.75 4.56 4.29 2dlcX1 TYR 101 HB2 0.15 0.13 0.15 -0.04 3.06 3.45 2dlcX1 TYR 101 HB3 0.16 -0.05 -0.10 -0.04 2.98 2.95 2dlcX1 TYR 101 HD2 0.27 0.11 -0.09 -0.04 7.15 7.40 2dlcX1 TYR 101 HE2 0.26 0.08 -0.20 -0.04 6.85 6.95 2dlcX1 GLU 102 H 0.16 0.55 -0.07 -0.55 8.60 8.69 2dlcX1 GLU 102 HA 0.13 0.00 0.43 -0.75 4.29 4.10 2dlcX1 GLU 102 HB2 -0.01 0.07 0.17 -0.04 2.09 2.28 2dlcX1 GLU 102 HB3 -0.12 0.09 0.16 -0.04 1.99 2.08 2dlcX1 GLU 102 HG2 -0.72 -0.01 -0.07 -0.04 2.34 1.50 2dlcX1 GLU 102 HG3 -0.74 -0.03 0.02 -0.04 2.34 1.56 2dlcX1 LEU 103 H -0.20 0.62 -0.16 -0.55 8.37 8.08 2dlcX1 LEU 103 HA -0.34 0.05 0.46 -0.75 4.35 3.77 2dlcX1 LEU 103 HB2 -0.97 0.10 0.06 -0.04 1.64 0.78 2dlcX1 LEU 103 HB3 -0.96 -0.04 0.01 -0.04 1.64 0.61 2dlcX1 LEU 103 HG -0.20 0.15 -0.00 -0.04 1.64 1.55 2dlcX1 LEU 103 HD13 -0.06 -0.03 -0.15 -0.04 0.93 0.65 2dlcX1 LEU 103 HD23 -0.20 -0.01 -0.07 -0.04 0.89 0.58 2dlcX1 THR 104 H -0.38 0.53 -0.14 -0.55 8.28 7.74 2dlcX1 THR 104 HA -0.14 0.03 0.50 -0.75 4.39 4.03 2dlcX1 THR 104 HB -0.28 0.07 0.21 -0.04 4.32 4.28 2dlcX1 THR 104 HG23 -0.24 -0.02 -0.12 -0.04 1.22 0.80 2dlcX1 ILE 105 H -0.03 0.68 -0.08 -0.55 8.25 8.28 2dlcX1 ILE 105 HA 0.02 -0.01 0.36 -0.75 4.18 3.79 2dlcX1 ILE 105 HB 0.28 0.15 0.14 -0.04 1.89 2.41 2dlcX1 ILE 105 HG12 0.31 -0.04 -0.02 -0.04 1.49 1.70 2dlcX1 ILE 105 HG13 0.19 -0.03 0.04 -0.04 1.21 1.36 2dlcX1 ILE 105 HG23 0.24 -0.01 -0.18 -0.04 0.93 0.95 2dlcX1 ILE 105 HD13 0.61 -0.01 -0.14 -0.04 0.88 1.29 2dlcX1 LYS 106 H -0.03 0.43 -0.24 -0.55 8.42 8.02 2dlcX1 LYS 106 HA 0.07 0.04 0.41 -0.75 4.32 4.09 2dlcX1 LYS 106 HB2 -0.13 0.06 0.13 -0.04 1.87 1.89 2dlcX1 LYS 106 HB3 -0.05 -0.05 0.00 -0.04 1.79 1.66 2dlcX1 LYS 106 HG2 0.06 -0.01 0.01 -0.04 1.46 1.48 2dlcX1 LYS 106 HG3 0.01 0.05 0.05 -0.04 1.46 1.53 2dlcX1 LYS 106 HD2 -0.34 0.02 -0.12 -0.04 1.69 1.20 2dlcX1 LYS 106 HD3 -0.16 -0.06 -0.03 -0.04 1.68 1.39 2dlcX1 LYS 106 HE2 -0.10 0.03 -0.02 -0.04 2.99 2.86 2dlcX1 LYS 106 HE3 -0.91 0.01 -0.03 -0.04 2.99 2.01 2dlcX1 ALA 107 H -0.09 0.46 -0.26 -0.55 8.40 7.96 2dlcX1 ALA 107 HA 0.01 0.02 0.51 -0.75 4.34 4.12 2dlcX1 ALA 107 HB3 0.04 0.01 0.13 -0.04 1.41 1.55 2dlcX1 ILE 108 H -0.02 0.57 -0.06 -0.55 8.25 8.19 2dlcX1 ILE 108 HA 0.08 0.04 0.40 -0.75 4.18 3.94 2dlcX1 ILE 108 HB -0.05 0.10 0.12 -0.04 1.89 2.03 2dlcX1 ILE 108 HG12 -0.40 -0.05 -0.06 -0.04 1.49 0.94 2dlcX1 ILE 108 HG13 -0.12 0.07 0.04 -0.04 1.21 1.16 2dlcX1 ILE 108 HG23 0.02 -0.01 -0.17 -0.04 0.93 0.73 2dlcX1 ILE 108 HD13 -0.17 -0.04 -0.18 -0.04 0.88 0.45 2dlcX1 LEU 109 H 0.02 0.50 -0.13 -0.55 8.37 8.21 2dlcX1 LEU 109 HA 0.03 0.06 0.25 -0.75 4.35 3.92 2dlcX1 LEU 109 HB2 0.03 0.05 0.09 -0.04 1.64 1.77 2dlcX1 LEU 109 HB3 0.01 0.03 -0.05 -0.04 1.64 1.59 2dlcX1 LEU 109 HG -0.01 -0.02 0.04 -0.04 1.64 1.60 2dlcX1 LEU 109 HD13 0.03 -0.02 -0.11 -0.04 0.93 0.79 2dlcX1 LEU 109 HD23 -0.05 -0.01 -0.04 -0.04 0.89 0.75 2dlcX1 ARG 110 H 0.03 0.46 -0.24 -0.55 8.46 8.15 2dlcX1 ARG 110 HA 0.01 0.05 0.61 -0.75 4.34 4.26 2dlcX1 ARG 110 HB2 0.02 0.14 0.19 -0.04 1.90 2.21 2dlcX1 ARG 110 HB3 0.02 -0.07 0.01 -0.04 1.80 1.72 2dlcX1 ARG 110 HG2 0.01 -0.04 0.06 -0.04 1.67 1.66 2dlcX1 ARG 110 HG3 0.01 0.07 0.08 -0.04 1.67 1.79 2dlcX1 ARG 110 HD2 0.01 -0.04 0.00 -0.04 3.22 3.15 2dlcX1 ARG 110 HD3 0.00 -0.08 0.00 -0.04 3.22 3.10 2dlcX1 SER 111 H 0.06 0.52 -0.25 -0.55 8.46 8.24 2dlcX1 SER 111 HA 0.05 -0.03 0.47 -0.75 4.49 4.23 2dlcX1 SER 111 HB2 0.09 -0.11 0.12 -0.04 3.95 4.02 2dlcX1 SER 111 HB3 0.09 0.14 0.12 -0.04 3.93 4.24 2dlcX1 ILE 112 H 0.05 0.29 -0.44 -0.55 8.25 7.60 2dlcX1 ILE 112 HA 0.01 0.15 0.81 -0.75 4.18 4.39 2dlcX1 ILE 112 HB 0.01 0.03 0.15 -0.04 1.89 2.04 2dlcX1 ILE 112 HG12 0.09 0.19 -0.07 -0.04 1.49 1.65 2dlcX1 ILE 112 HG13 0.02 0.12 -0.12 -0.04 1.21 1.19 2dlcX1 ILE 112 HG23 0.06 -0.02 -0.10 -0.04 0.93 0.82 2dlcX1 ILE 112 HD13 0.04 -0.03 -0.13 -0.04 0.88 0.72 2dlcX1 ASN 113 H 0.01 0.29 -0.43 -0.55 8.53 7.86 2dlcX1 ASN 113 HA -0.01 -0.00 0.31 -0.75 4.76 4.31 2dlcX1 ASN 113 HB2 -0.02 -0.04 -0.17 -0.04 2.88 2.62 2dlcX1 ASN 113 HB3 -0.03 0.16 -0.00 -0.04 2.79 2.88 2dlcX1 ASN 113 HD21 -0.04 -0.10 0.04 -0.04 7.03 6.90 2dlcX1 ASN 113 HD22 -0.05 0.10 0.10 -0.04 7.74 7.85 2dlcX1 VAL 114 H -0.00 0.61 0.06 -0.55 8.24 8.36 2dlcX1 VAL 114 HA -0.03 0.22 0.91 -0.75 4.13 4.47 2dlcX1 VAL 114 HB -0.01 -0.11 0.01 -0.04 2.12 1.97 2dlcX1 VAL 114 HG13 -0.03 -0.00 -0.15 -0.04 0.97 0.75 2dlcX1 VAL 114 HG23 -0.03 0.03 -0.14 -0.04 0.95 0.77 2dlcX1 PRO 115 HA -0.00 -0.00 0.57 -0.51 4.44 4.50 2dlcX1 PRO 115 HB2 -0.01 -0.08 0.02 -0.04 2.28 2.17 2dlcX1 PRO 115 HB3 -0.01 0.02 0.10 -0.04 2.02 2.08 2dlcX1 PRO 115 HG2 -0.03 0.03 0.12 -0.04 2.03 2.11 2dlcX1 PRO 115 HG3 -0.03 0.05 0.09 -0.04 2.03 2.10 2dlcX1 PRO 115 HD2 -0.04 0.15 0.26 -0.04 3.68 4.01 2dlcX1 PRO 115 HD3 -0.04 0.27 0.14 -0.04 3.65 3.98 2dlcX1 ILE 116 H 0.02 0.12 0.17 -0.55 8.25 8.01 2dlcX1 ILE 116 HA 0.04 0.24 0.67 -0.75 4.18 4.37 2dlcX1 ILE 116 HB 0.12 -0.01 0.11 -0.04 1.89 2.07 2dlcX1 ILE 116 HG12 0.03 0.10 0.06 -0.04 1.49 1.64 2dlcX1 ILE 116 HG13 0.04 -0.06 -0.01 -0.04 1.21 1.14 2dlcX1 ILE 116 HG23 0.05 0.09 -0.17 -0.04 0.93 0.86 2dlcX1 ILE 116 HD13 0.04 -0.01 -0.01 -0.04 0.88 0.86 2dlcX1 GLU 117 H 0.02 0.08 -0.09 -0.55 8.60 8.07 2dlcX1 GLU 117 HA 0.04 0.07 0.36 -0.75 4.29 4.00 2dlcX1 GLU 117 HB2 0.01 0.02 0.06 -0.04 2.09 2.13 2dlcX1 GLU 117 HB3 0.01 0.03 0.02 -0.04 1.99 2.01 2dlcX1 GLU 117 HG2 0.01 0.02 0.03 -0.04 2.34 2.36 2dlcX1 GLU 117 HG3 0.01 -0.01 0.06 -0.04 2.34 2.36 2dlcX1 LYS 118 H 0.02 0.10 -0.23 -0.55 8.42 7.75 2dlcX1 LYS 118 HA 0.02 0.12 0.50 -0.75 4.32 4.20 2dlcX1 LYS 118 HB2 -0.01 0.05 0.01 -0.04 1.87 1.88 2dlcX1 LYS 118 HB3 -0.01 0.04 0.15 -0.04 1.79 1.92 2dlcX1 LYS 118 HG2 -0.01 0.01 0.00 -0.04 1.46 1.42 2dlcX1 LYS 118 HG3 -0.00 -0.12 -0.09 -0.04 1.46 1.21 2dlcX1 LYS 118 HD2 -0.02 -0.04 -0.02 -0.04 1.69 1.58 2dlcX1 LYS 118 HD3 -0.03 0.11 0.00 -0.04 1.68 1.72 2dlcX1 LYS 118 HE2 -0.04 0.03 -0.00 -0.04 2.99 2.93 2dlcX1 LYS 118 HE3 -0.02 -0.06 -0.02 -0.04 2.99 2.85 2dlcX1 LEU 119 H 0.06 0.35 -0.54 -0.55 8.37 7.69 2dlcX1 LEU 119 HA -0.00 0.16 0.71 -0.75 4.35 4.45 2dlcX1 LEU 119 HB2 0.04 -0.06 0.03 -0.04 1.64 1.62 2dlcX1 LEU 119 HB3 0.16 0.07 0.11 -0.04 1.64 1.93 2dlcX1 LEU 119 HG -0.36 0.01 -0.20 -0.04 1.64 1.05 2dlcX1 LEU 119 HD13 -0.04 0.02 -0.11 -0.04 0.93 0.76 2dlcX1 LEU 119 HD23 0.07 -0.02 -0.10 -0.04 0.89 0.80 2dlcX1 LYS 120 H -0.03 0.64 0.40 -0.55 8.42 8.87 2dlcX1 LYS 120 HA 0.11 0.11 0.75 -0.75 4.32 4.53 2dlcX1 LYS 120 HB2 -0.00 0.01 0.15 -0.04 1.87 1.99 2dlcX1 LYS 120 HB3 0.03 -0.06 -0.04 -0.04 1.79 1.69 2dlcX1 LYS 120 HG2 0.04 -0.02 -0.06 -0.04 1.46 1.38 2dlcX1 LYS 120 HG3 0.02 0.17 -0.03 -0.04 1.46 1.58 2dlcX1 LYS 120 HD2 0.01 -0.05 -0.07 -0.04 1.69 1.54 2dlcX1 LYS 120 HD3 0.01 -0.04 -0.04 -0.04 1.68 1.58 2dlcX1 LYS 120 HE2 0.00 0.00 -0.03 -0.04 2.99 2.92 2dlcX1 LYS 120 HE3 0.00 0.06 -0.15 -0.04 2.99 2.86 2dlcX1 PHE 121 H 0.28 0.22 0.20 -0.55 8.34 8.49 2dlcX1 PHE 121 HA 0.09 0.31 1.06 -0.75 4.62 5.33 2dlcX1 PHE 121 HB2 0.04 -0.01 0.15 -0.04 3.15 3.29 2dlcX1 PHE 121 HB3 0.06 -0.07 0.01 -0.04 3.06 3.02 2dlcX1 PHE 121 HD2 0.08 0.02 -0.08 -0.04 7.28 7.26 2dlcX1 PHE 121 HE2 0.09 0.03 -0.06 -0.04 7.38 7.41 2dlcX1 PHE 121 HZ 0.06 -0.01 -0.08 -0.04 7.32 7.25 2dlcX1 VAL 122 H 0.12 0.63 0.30 -0.55 8.24 8.73 2dlcX1 VAL 122 HA 0.10 0.16 0.89 -0.75 4.13 4.53 2dlcX1 VAL 122 HB 0.06 -0.03 -0.02 -0.04 2.12 2.10 2dlcX1 VAL 122 HG13 0.16 -0.02 -0.23 -0.04 0.97 0.83 2dlcX1 VAL 122 HG23 0.03 0.03 -0.21 -0.04 0.95 0.76 2dlcX1 VAL 123 H 0.06 0.23 0.14 -0.55 8.24 8.12 2dlcX1 VAL 123 HA 0.02 0.23 0.95 -0.75 4.13 4.57 2dlcX1 VAL 123 HB -0.02 -0.00 0.18 -0.04 2.12 2.24 2dlcX1 VAL 123 HG13 -0.05 -0.05 0.03 -0.04 0.97 0.85 2dlcX1 VAL 123 HG23 0.03 0.04 0.01 -0.04 0.95 0.98 2dlcX1 GLY 124 H -0.07 0.62 0.30 -0.55 8.43 8.73 2dlcX1 GLY 124 HA2 -0.35 0.16 0.23 -0.51 4.01 3.54 2dlcX1 GLY 124 HA3 -0.23 -0.04 0.34 -0.51 4.01 3.57 2dlcX1 SER 125 H -0.19 0.09 -0.13 -0.55 8.46 7.69 2dlcX1 SER 125 HA -0.32 0.03 0.38 -0.75 4.49 3.83 2dlcX1 SER 125 HB2 -0.16 0.09 0.08 -0.04 3.95 3.91 2dlcX1 SER 125 HB3 -0.17 -0.07 0.07 -0.04 3.93 3.72 2dlcX1 SER 126 H -0.18 0.51 -0.45 -0.55 8.46 7.80 2dlcX1 SER 126 HA -0.07 0.09 0.45 -0.75 4.49 4.20 2dlcX1 SER 126 HB2 0.01 0.02 0.13 -0.04 3.95 4.07 2dlcX1 SER 126 HB3 -0.02 -0.08 0.12 -0.04 3.93 3.91 2dlcX1 TYR 127 H -0.49 0.17 -0.14 -0.55 8.29 7.28 2dlcX1 TYR 127 HA -0.09 0.17 0.65 -0.75 4.56 4.54 2dlcX1 TYR 127 HB2 -0.00 -0.01 0.08 -0.04 3.06 3.09 2dlcX1 TYR 127 HB3 -0.04 0.09 -0.10 -0.04 2.98 2.90 2dlcX1 TYR 127 HD2 -0.27 -0.04 -0.24 -0.04 7.15 6.56 2dlcX1 TYR 127 HE2 -0.13 -0.04 -0.17 -0.04 6.85 6.47 2dlcX1 GLN 128 H -0.84 0.29 0.16 -0.55 8.47 7.54 2dlcX1 GLN 128 HA -1.64 0.12 0.39 -0.75 4.36 2.47 2dlcX1 GLN 128 HB2 -0.62 -0.08 -0.07 -0.04 2.15 1.35 2dlcX1 GLN 128 HB3 -0.65 -0.00 0.03 -0.04 2.02 1.35 2dlcX1 GLN 128 HG2 -1.37 0.05 -0.04 -0.04 2.40 1.00 2dlcX1 GLN 128 HG3 -1.71 0.10 0.05 -0.04 2.39 0.78 2dlcX1 GLN 128 HE21 0.08 -0.09 -0.09 -0.04 6.97 6.83 2dlcX1 GLN 128 HE22 -0.07 0.13 -0.08 -0.04 7.69 7.62 2dlcX1 LEU 129 H -0.26 0.12 -0.43 -0.55 8.37 7.25 2dlcX1 LEU 129 HA -0.12 0.21 0.86 -0.75 4.35 4.55 2dlcX1 LEU 129 HB2 -0.12 0.08 -0.01 -0.04 1.64 1.55 2dlcX1 LEU 129 HB3 -0.09 -0.00 0.11 -0.04 1.64 1.62 2dlcX1 LEU 129 HG -0.20 -0.13 -0.14 -0.04 1.64 1.13 2dlcX1 LEU 129 HD13 -0.12 0.02 -0.00 -0.04 0.93 0.78 2dlcX1 LEU 129 HD23 -0.12 0.02 -0.06 -0.04 0.89 0.70 2dlcX1 THR 130 H -0.09 0.26 -0.26 -0.55 8.28 7.64 2dlcX1 THR 130 HA 0.01 0.16 0.59 -0.75 4.39 4.39 2dlcX1 THR 130 HB 0.08 -0.02 0.14 -0.04 4.32 4.47 2dlcX1 THR 130 HG23 0.03 -0.01 0.04 -0.04 1.22 1.24 2dlcX1 PRO 131 HA 0.03 0.09 0.43 -0.51 4.44 4.49 2dlcX1 PRO 131 HB2 0.06 0.03 0.05 -0.04 2.28 2.38 2dlcX1 PRO 131 HB3 0.05 0.05 0.08 -0.04 2.02 2.17 2dlcX1 PRO 131 HG2 0.04 0.07 0.10 -0.04 2.03 2.19 2dlcX1 PRO 131 HG3 0.03 0.08 0.10 -0.04 2.03 2.20 2dlcX1 PRO 131 HD2 0.05 0.09 0.22 -0.04 3.68 4.01 2dlcX1 PRO 131 HD3 0.03 0.19 0.26 -0.04 3.65 4.08 2dlcX1 ASP 132 H 0.13 0.15 -0.12 -0.55 8.40 8.01 2dlcX1 ASP 132 HA 0.15 0.09 0.39 -0.75 4.63 4.51 2dlcX1 ASP 132 HB2 0.33 -0.02 0.05 -0.04 2.71 3.03 2dlcX1 ASP 132 HB3 0.33 0.08 -0.04 -0.04 2.70 3.02 2dlcX1 TYR 133 H 0.19 0.11 -0.29 -0.55 8.29 7.75 2dlcX1 TYR 133 HA -0.44 0.07 0.44 -0.75 4.56 3.88 2dlcX1 TYR 133 HB2 -0.49 0.05 0.07 -0.04 3.06 2.64 2dlcX1 TYR 133 HB3 -0.26 0.14 -0.02 -0.04 2.98 2.80 2dlcX1 TYR 133 HD2 -1.15 0.08 -0.14 -0.04 7.15 5.90 2dlcX1 TYR 133 HE2 -0.14 -0.02 -0.14 -0.04 6.85 6.50 2dlcX1 THR 134 H 0.00 0.47 -0.16 -0.55 8.28 8.05 2dlcX1 THR 134 HA -0.28 0.01 0.37 -0.75 4.39 3.73 2dlcX1 THR 134 HB -0.09 0.05 0.09 -0.04 4.32 4.33 2dlcX1 THR 134 HG23 -0.41 -0.02 -0.05 -0.04 1.22 0.70 2dlcX1 MET 135 H -0.04 0.68 -0.10 -0.55 8.47 8.47 2dlcX1 MET 135 HA 0.13 -0.02 0.46 -0.75 4.52 4.34 2dlcX1 MET 135 HB2 0.08 0.08 0.13 -0.04 2.15 2.41 2dlcX1 MET 135 HB3 0.09 0.13 0.10 -0.04 2.03 2.31 2dlcX1 MET 135 HG2 0.09 -0.01 -0.01 -0.04 2.63 2.67 2dlcX1 MET 135 HG3 0.10 0.00 -0.06 -0.04 2.56 2.56 2dlcX1 MET 135 HE3 0.13 -0.01 0.01 -0.04 2.10 2.19 2dlcX1 ASP 136 H -0.02 0.47 -0.27 -0.55 8.40 8.03 2dlcX1 ASP 136 HA 0.05 0.01 0.54 -0.75 4.63 4.47 2dlcX1 ASP 136 HB2 -0.02 0.11 0.18 -0.04 2.71 2.93 2dlcX1 ASP 136 HB3 0.07 -0.06 0.02 -0.04 2.70 2.68 2dlcX1 ILE 137 H -0.31 0.53 -0.13 -0.55 8.25 7.79 2dlcX1 ILE 137 HA -0.15 -0.00 0.51 -0.75 4.18 3.78 2dlcX1 ILE 137 HB -0.46 0.18 0.17 -0.04 1.89 1.73 2dlcX1 ILE 137 HG12 -0.23 -0.08 -0.03 -0.04 1.49 1.11 2dlcX1 ILE 137 HG13 -0.44 0.24 0.00 -0.04 1.21 0.97 2dlcX1 ILE 137 HG23 -0.08 -0.03 -0.08 -0.04 0.93 0.70 2dlcX1 ILE 137 HD13 -0.05 -0.03 -0.04 -0.04 0.88 0.72 2dlcX1 PHE 138 H -0.31 0.50 -0.13 -0.55 8.34 7.85 2dlcX1 PHE 138 HA -0.00 -0.01 0.35 -0.75 4.62 4.20 2dlcX1 PHE 138 HB2 0.01 0.19 0.18 -0.04 3.15 3.48 2dlcX1 PHE 138 HB3 0.00 -0.04 0.02 -0.04 3.06 3.00 2dlcX1 PHE 138 HD2 0.01 -0.02 -0.04 -0.04 7.28 7.19 2dlcX1 PHE 138 HE2 0.01 -0.04 -0.06 -0.04 7.38 7.24 2dlcX1 PHE 138 HZ 0.01 -0.04 -0.04 -0.04 7.32 7.21 2dlcX1 ARG 139 H 0.10 0.53 -0.06 -0.55 8.46 8.48 2dlcX1 ARG 139 HA 0.07 0.02 0.41 -0.75 4.34 4.08 2dlcX1 ARG 139 HB2 0.04 0.03 0.17 -0.04 1.90 2.10 2dlcX1 ARG 139 HB3 0.02 0.02 0.00 -0.04 1.80 1.79 2dlcX1 ARG 139 HG2 0.06 -0.06 0.02 -0.04 1.67 1.65 2dlcX1 ARG 139 HG3 0.08 0.17 -0.00 -0.04 1.67 1.88 2dlcX1 ARG 139 HD2 -0.00 0.02 0.01 -0.04 3.22 3.21 2dlcX1 ARG 139 HD3 0.03 -0.05 -0.02 -0.04 3.22 3.14 2dlcX1 LEU 140 H 0.03 0.63 -0.11 -0.55 8.37 8.37 2dlcX1 LEU 140 HA 0.03 0.05 0.48 -0.75 4.35 4.16 2dlcX1 LEU 140 HB2 0.01 0.27 0.19 -0.04 1.64 2.06 2dlcX1 LEU 140 HB3 0.02 -0.04 -0.03 -0.04 1.64 1.54 2dlcX1 LEU 140 HG 0.05 0.03 -0.02 -0.04 1.64 1.66 2dlcX1 LEU 140 HD13 0.04 -0.02 -0.03 -0.04 0.93 0.88 2dlcX1 LEU 140 HD23 0.04 -0.02 -0.04 -0.04 0.89 0.83 2dlcX1 SER 141 H 0.06 0.64 -0.15 -0.55 8.46 8.47 2dlcX1 SER 141 HA 0.04 0.01 0.43 -0.75 4.49 4.21 2dlcX1 SER 141 HB2 0.07 -0.10 0.08 -0.04 3.95 3.96 2dlcX1 SER 141 HB3 0.09 0.10 0.10 -0.04 3.93 4.18 2dlcX1 ASN 142 H 0.05 0.34 -0.58 -0.55 8.53 7.80 2dlcX1 ASN 142 HA 0.03 0.02 0.60 -0.75 4.76 4.66 2dlcX1 ASN 142 HB2 0.04 0.15 0.14 -0.04 2.88 3.18 2dlcX1 ASN 142 HB3 0.02 0.08 0.03 -0.04 2.79 2.88 2dlcX1 ASN 142 HD21 -0.00 -0.08 0.00 -0.04 7.03 6.92 2dlcX1 ASN 142 HD22 0.02 0.02 -0.03 -0.04 7.74 7.71 2dlcX1 ILE 143 H 0.03 0.36 -0.29 -0.55 8.25 7.79 2dlcX1 ILE 143 HA 0.01 0.10 0.78 -0.75 4.18 4.32 2dlcX1 ILE 143 HB 0.02 0.08 0.15 -0.04 1.89 2.10 2dlcX1 ILE 143 HG12 0.01 -0.06 0.02 -0.04 1.49 1.42 2dlcX1 ILE 143 HG13 0.01 0.00 -0.20 -0.04 1.21 0.98 2dlcX1 ILE 143 HG23 0.02 -0.02 -0.07 -0.04 0.93 0.81 2dlcX1 ILE 143 HD13 -0.00 0.02 -0.11 -0.04 0.88 0.75 2dlcX1 VAL 144 H 0.03 0.48 0.07 -0.55 8.24 8.27 2dlcX1 VAL 144 HA 0.02 0.06 0.82 -0.75 4.13 4.29 2dlcX1 VAL 144 HB 0.03 0.02 0.07 -0.04 2.12 2.20 2dlcX1 VAL 144 HG13 0.03 0.02 -0.15 -0.04 0.97 0.83 2dlcX1 VAL 144 HG23 0.03 0.03 -0.06 -0.04 0.95 0.91 2dlcX1 SER 145 H 0.02 0.13 0.14 -0.55 8.46 8.20 2dlcX1 SER 145 HA 0.01 0.18 0.47 -0.75 4.49 4.40 2dlcX1 SER 145 HB2 0.01 -0.00 0.15 -0.04 3.95 4.06 2dlcX1 SER 145 HB3 0.01 0.17 0.15 -0.04 3.93 4.21 2dlcX1 GLN 146 H 0.01 0.20 0.18 -0.55 8.47 8.31 2dlcX1 GLN 146 HA 0.02 0.15 0.52 -0.75 4.36 4.29 2dlcX1 GLN 146 HB2 0.01 -0.05 0.14 -0.04 2.15 2.21 2dlcX1 GLN 146 HB3 0.01 0.03 0.05 -0.04 2.02 2.07 2dlcX1 GLN 146 HG2 0.01 0.05 0.07 -0.04 2.40 2.49 2dlcX1 GLN 146 HG3 0.01 0.03 0.14 -0.04 2.39 2.52 2dlcX1 GLN 146 HE21 0.01 0.00 0.02 -0.04 6.97 6.96 2dlcX1 GLN 146 HE22 0.01 0.06 0.04 -0.04 7.69 7.75 2dlcX1 ASN 147 H 0.01 0.10 -0.09 -0.55 8.53 8.00 2dlcX1 ASN 147 HA 0.00 0.11 0.45 -0.75 4.76 4.57 2dlcX1 ASN 147 HB2 0.00 0.04 0.08 -0.04 2.88 2.96 2dlcX1 ASN 147 HB3 0.01 -0.02 0.08 -0.04 2.79 2.81 2dlcX1 ASN 147 HD21 0.00 0.03 -0.11 -0.04 7.03 6.92 2dlcX1 ASN 147 HD22 0.01 -0.03 -0.11 -0.04 7.74 7.57 2dlcX1 ASP 148 H 0.01 0.08 -0.31 -0.55 8.40 7.63 2dlcX1 ASP 148 HA 0.01 0.08 0.50 -0.75 4.63 4.46 2dlcX1 ASP 148 HB2 0.02 0.04 0.09 -0.04 2.71 2.82 2dlcX1 ASP 148 HB3 0.02 0.06 -0.02 -0.04 2.70 2.72 2dlcX1 ALA 149 H 0.02 0.53 -0.15 -0.55 8.40 8.24 2dlcX1 ALA 149 HA 0.03 0.04 0.48 -0.75 4.34 4.14 2dlcX1 ALA 149 HB3 0.03 0.06 0.09 -0.04 1.41 1.56 2dlcX1 LYS 150 H 0.01 0.36 -0.27 -0.55 8.42 7.96 2dlcX1 LYS 150 HA -0.00 0.07 0.40 -0.75 4.32 4.03 2dlcX1 LYS 150 HB2 0.00 0.11 0.10 -0.04 1.87 2.05 2dlcX1 LYS 150 HB3 -0.00 0.02 0.10 -0.04 1.79 1.86 2dlcX1 LYS 150 HG2 -0.01 0.00 -0.10 -0.04 1.46 1.31 2dlcX1 LYS 150 HG3 -0.01 -0.02 -0.04 -0.04 1.46 1.35 2dlcX1 LYS 150 HD2 -0.01 -0.02 -0.04 -0.04 1.69 1.58 2dlcX1 LYS 150 HD3 -0.01 -0.01 -0.04 -0.04 1.68 1.58 2dlcX1 LYS 150 HE2 -0.01 -0.00 -0.04 -0.04 2.99 2.89 2dlcX1 LYS 150 HE3 -0.02 0.00 -0.04 -0.04 2.99 2.89 2dlcX1 ARG 151 H 0.00 0.50 -0.04 -0.55 8.46 8.37 2dlcX1 ARG 151 HA -0.01 0.02 0.42 -0.75 4.34 4.01 2dlcX1 ARG 151 HB2 0.00 0.06 0.17 -0.04 1.90 2.09 2dlcX1 ARG 151 HB3 -0.00 -0.04 0.00 -0.04 1.80 1.72 2dlcX1 ARG 151 HG2 -0.01 -0.03 0.04 -0.04 1.67 1.63 2dlcX1 ARG 151 HG3 -0.00 0.08 0.11 -0.04 1.67 1.81 2dlcX1 ARG 151 HD2 -0.00 -0.04 -0.01 -0.04 3.22 3.13 2dlcX1 ARG 151 HD3 0.00 -0.01 -0.03 -0.04 3.22 3.14 2dlcX1 ALA 152 H 0.01 0.62 -0.23 -0.55 8.40 8.26 2dlcX1 ALA 152 HA -0.00 -0.04 0.26 -0.75 4.34 3.80 2dlcX1 ALA 152 HB3 0.03 0.01 0.02 -0.04 1.41 1.43 2dlcX1 GLY 153 H -0.00 0.46 -0.35 -0.55 8.43 7.99 2dlcX1 GLY 153 HA2 -0.04 0.03 0.73 -0.51 4.01 4.23 2dlcX1 GLY 153 HA3 -0.05 0.10 0.37 -0.51 4.01 3.92 2dlcX1 ALA 154 H -0.03 0.49 -0.33 -0.55 8.40 7.97 2dlcX1 ALA 154 HA -0.05 0.07 0.22 -0.75 4.34 3.83 2dlcX1 ALA 154 HB3 -0.03 -0.00 0.09 -0.04 1.41 1.43 2dlcX1 ASP 155 H -0.06 0.11 -0.17 -0.55 8.40 7.73 2dlcX1 ASP 155 HA -0.05 0.20 0.81 -0.75 4.63 4.85 2dlcX1 ASP 155 HB2 -0.06 0.04 0.07 -0.04 2.71 2.72 2dlcX1 ASP 155 HB3 -0.05 -0.03 0.18 -0.04 2.70 2.75 2dlcX1 VAL 156 H -0.10 0.31 -0.31 -0.55 8.24 7.60 2dlcX1 VAL 156 HA -0.08 0.16 0.91 -0.75 4.13 4.37 2dlcX1 VAL 156 HB -0.13 -0.02 0.10 -0.04 2.12 2.03 2dlcX1 VAL 156 HG13 -0.06 -0.03 -0.13 -0.04 0.97 0.71 2dlcX1 VAL 156 HG23 -0.09 -0.05 -0.13 -0.04 0.95 0.64 2dlcX1 VAL 157 H -0.21 0.43 0.21 -0.55 8.24 8.13 2dlcX1 VAL 157 HA -0.31 -0.03 0.61 -0.75 4.13 3.65 2dlcX1 VAL 157 HB -0.20 0.19 0.18 -0.04 2.12 2.25 2dlcX1 VAL 157 HG13 -0.13 -0.02 -0.09 -0.04 0.97 0.68 2dlcX1 VAL 157 HG23 -0.66 -0.00 0.09 -0.04 0.95 0.33 2dlcX1 LYS 158 H -0.11 0.04 0.09 -0.55 8.42 7.90 2dlcX1 LYS 158 HA -0.05 0.07 0.40 -0.75 4.32 3.98 2dlcX1 LYS 158 HB2 -0.04 0.03 0.07 -0.04 1.87 1.88 2dlcX1 LYS 158 HB3 -0.05 -0.08 -0.01 -0.04 1.79 1.61 2dlcX1 LYS 158 HG2 -0.03 0.03 -0.24 -0.04 1.46 1.18 2dlcX1 LYS 158 HG3 -0.02 0.01 -0.00 -0.04 1.46 1.41 2dlcX1 LYS 158 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.62 2dlcX1 LYS 158 HD3 -0.02 -0.00 -0.07 -0.04 1.68 1.55 2dlcX1 LYS 158 HE2 -0.01 0.02 -0.05 -0.04 2.99 2.91 2dlcX1 LYS 158 HE3 -0.00 -0.00 -0.02 -0.04 2.99 2.92 2dlcX1 GLN 159 H -0.04 0.16 0.16 -0.55 8.47 8.20 2dlcX1 GLN 159 HA -0.04 0.07 0.71 -0.75 4.36 4.35 2dlcX1 GLN 159 HB2 -0.03 -0.05 0.16 -0.04 2.15 2.18 2dlcX1 GLN 159 HB3 -0.03 -0.01 0.02 -0.04 2.02 1.96 2dlcX1 GLN 159 HG2 -0.04 0.15 0.11 -0.04 2.40 2.58 2dlcX1 GLN 159 HG3 -0.03 -0.06 0.07 -0.04 2.39 2.33 2dlcX1 GLN 159 HE21 -0.06 -0.12 -0.21 -0.04 6.97 6.54 2dlcX1 GLN 159 HE22 -0.07 0.62 -0.14 -0.04 7.69 8.06 2dlcX1 VAL 160 H -0.03 0.18 0.12 -0.55 8.24 7.95 2dlcX1 VAL 160 HA -0.02 0.22 0.85 -0.75 4.13 4.43 2dlcX1 VAL 160 HB -0.02 -0.10 0.03 -0.04 2.12 1.99 2dlcX1 VAL 160 HG13 -0.03 0.03 -0.25 -0.04 0.97 0.69 2dlcX1 VAL 160 HG23 -0.03 0.01 -0.24 -0.04 0.95 0.65 2dlcX1 ALA 161 H -0.01 0.15 0.10 -0.55 8.40 8.09 2dlcX1 ALA 161 HA -0.01 0.09 0.38 -0.75 4.34 4.05 2dlcX1 ALA 161 HB3 -0.01 0.00 0.08 -0.04 1.41 1.45 2dlcX1 ASN 162 H -0.02 0.02 -0.33 -0.55 8.53 7.65 2dlcX1 ASN 162 HA -0.01 0.25 0.84 -0.75 4.76 5.08 2dlcX1 ASN 162 HB2 -0.01 -0.05 0.11 -0.04 2.88 2.88 2dlcX1 ASN 162 HB3 -0.01 0.03 0.04 -0.04 2.79 2.81 2dlcX1 ASN 162 HD21 -0.01 0.02 -0.09 -0.04 7.03 6.91 2dlcX1 ASN 162 HD22 -0.01 -0.03 -0.05 -0.04 7.74 7.61 2dlcX1 PRO 163 HA -0.03 -0.03 0.29 -0.51 4.44 4.16 2dlcX1 PRO 163 HB2 -0.02 -0.00 -0.04 -0.04 2.28 2.17 2dlcX1 PRO 163 HB3 -0.02 0.04 0.06 -0.04 2.02 2.05 2dlcX1 PRO 163 HG2 -0.01 0.01 0.02 -0.04 2.03 2.01 2dlcX1 PRO 163 HG3 -0.02 0.18 0.03 -0.04 2.03 2.18 2dlcX1 PRO 163 HD2 -0.01 0.06 0.10 -0.04 3.68 3.79 2dlcX1 PRO 163 HD3 -0.01 0.36 -0.28 -0.04 3.65 3.68 2dlcX1 LEU 164 H -0.03 0.10 0.21 -0.55 8.37 8.11 2dlcX1 LEU 164 HA -0.02 0.21 0.73 -0.75 4.35 4.52 2dlcX1 LEU 164 HB2 -0.05 -0.05 0.15 -0.04 1.64 1.65 2dlcX1 LEU 164 HB3 -0.04 -0.08 0.14 -0.04 1.64 1.63 2dlcX1 LEU 164 HG -0.03 0.08 0.04 -0.04 1.64 1.68 2dlcX1 LEU 164 HD13 -0.06 0.00 0.01 -0.04 0.93 0.84 2dlcX1 LEU 164 HD23 -0.02 0.02 -0.01 -0.04 0.89 0.84 2dlcX1 LEU 165 H -0.01 0.21 0.19 -0.55 8.37 8.22 2dlcX1 LEU 165 HA 0.00 0.12 0.39 -0.75 4.35 4.11 2dlcX1 LEU 165 HB2 0.01 0.06 0.15 -0.04 1.64 1.82 2dlcX1 LEU 165 HB3 0.01 -0.01 0.11 -0.04 1.64 1.70 2dlcX1 LEU 165 HG 0.03 -0.02 -0.12 -0.04 1.64 1.48 2dlcX1 LEU 165 HD13 0.02 0.00 0.06 -0.04 0.93 0.97 2dlcX1 LEU 165 HD23 0.03 0.02 -0.00 -0.04 0.89 0.89 2dlcX1 SER 166 H -0.02 0.08 -0.18 -0.55 8.46 7.80 2dlcX1 SER 166 HA 0.01 0.02 0.41 -0.75 4.49 4.18 2dlcX1 SER 166 HB2 -0.05 0.07 0.18 -0.04 3.95 4.12 2dlcX1 SER 166 HB3 -0.05 -0.01 0.13 -0.04 3.93 3.95 2dlcX1 GLY 167 H -0.01 0.36 -0.31 -0.55 8.43 7.92 2dlcX1 GLY 167 HA2 -0.01 0.04 0.42 -0.51 4.01 3.95 2dlcX1 GLY 167 HA3 -0.03 0.08 0.32 -0.51 4.01 3.87 2dlcX1 LEU 168 H 0.02 0.43 -0.22 -0.55 8.37 8.06 2dlcX1 LEU 168 HA 0.03 0.17 0.50 -0.75 4.35 4.30 2dlcX1 LEU 168 HB2 0.02 0.13 0.15 -0.04 1.64 1.90 2dlcX1 LEU 168 HB3 0.03 -0.01 -0.04 -0.04 1.64 1.58 2dlcX1 LEU 168 HG 0.02 -0.02 -0.03 -0.04 1.64 1.56 2dlcX1 LEU 168 HD13 0.00 0.03 -0.23 -0.04 0.93 0.69 2dlcX1 LEU 168 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 2dlcX1 ILE 169 H 0.05 0.26 -0.12 -0.55 8.25 7.89 2dlcX1 ILE 169 HA 0.04 0.09 0.53 -0.75 4.18 4.08 2dlcX1 ILE 169 HB 0.02 0.07 0.13 -0.04 1.89 2.07 2dlcX1 ILE 169 HG12 0.03 0.02 -0.03 -0.04 1.49 1.48 2dlcX1 ILE 169 HG13 0.03 0.02 -0.05 -0.04 1.21 1.18 2dlcX1 ILE 169 HG23 -0.02 -0.01 -0.09 -0.04 0.93 0.77 2dlcX1 ILE 169 HD13 0.03 -0.02 -0.09 -0.04 0.88 0.76 2dlcX1 TYR 170 H 0.15 0.48 -0.08 -0.55 8.29 8.28 2dlcX1 TYR 170 HA -0.10 -0.08 0.33 -0.75 4.56 3.95 2dlcX1 TYR 170 HB2 -0.00 0.09 0.06 -0.04 3.06 3.16 2dlcX1 TYR 170 HB3 0.03 0.24 0.08 -0.04 2.98 3.29 2dlcX1 TYR 170 HD2 0.08 0.03 -0.31 -0.04 7.15 6.91 2dlcX1 TYR 170 HE2 0.07 0.04 -0.12 -0.04 6.85 6.80 2dlcX1 PRO 171 HA 0.27 -0.00 0.37 -0.51 4.44 4.57 2dlcX1 PRO 171 HB2 0.11 0.03 -0.10 -0.04 2.28 2.27 2dlcX1 PRO 171 HB3 0.14 -0.00 -0.06 -0.04 2.02 2.06 2dlcX1 PRO 171 HG2 0.09 0.10 0.02 -0.04 2.03 2.20 2dlcX1 PRO 171 HG3 0.08 0.20 0.09 -0.04 2.03 2.36 2dlcX1 PRO 171 HD2 0.16 0.03 -0.63 -0.04 3.68 3.20 2dlcX1 PRO 171 HD3 0.21 0.18 0.08 -0.04 3.65 4.08 2dlcX1 LEU 172 H 0.10 0.34 -0.27 -0.55 8.37 8.00 2dlcX1 LEU 172 HA 0.07 0.06 0.43 -0.75 4.35 4.15 2dlcX1 LEU 172 HB2 0.02 0.09 0.14 -0.04 1.64 1.86 2dlcX1 LEU 172 HB3 0.01 -0.02 -0.00 -0.04 1.64 1.58 2dlcX1 LEU 172 HG 0.04 0.12 0.09 -0.04 1.64 1.85 2dlcX1 LEU 172 HD13 0.03 0.00 -0.13 -0.04 0.93 0.79 2dlcX1 LEU 172 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 2dlcX1 MET 173 H 0.05 0.59 -0.08 -0.55 8.47 8.49 2dlcX1 MET 173 HA 0.05 0.02 0.41 -0.75 4.52 4.25 2dlcX1 MET 173 HB2 -0.14 0.17 0.06 -0.04 2.15 2.21 2dlcX1 MET 173 HB3 0.10 -0.11 -0.05 -0.04 2.03 1.93 2dlcX1 MET 173 HG2 0.10 -0.01 -0.03 -0.04 2.63 2.65 2dlcX1 MET 173 HG3 -0.03 0.12 -0.02 -0.04 2.56 2.59 2dlcX1 MET 173 HE3 -0.19 -0.03 -0.10 -0.04 2.10 1.73 2dlcX1 GLN 174 H 0.24 0.46 -0.23 -0.55 8.47 8.39 2dlcX1 GLN 174 HA 0.08 -0.03 0.39 -0.75 4.36 4.04 2dlcX1 GLN 174 HB2 -0.10 -0.04 0.02 -0.04 2.15 1.99 2dlcX1 GLN 174 HB3 0.15 0.13 0.07 -0.04 2.02 2.33 2dlcX1 GLN 174 HG2 0.18 0.05 -0.25 -0.04 2.40 2.34 2dlcX1 GLN 174 HG3 0.10 -0.05 -0.01 -0.04 2.39 2.38 2dlcX1 GLN 174 HE21 0.03 -0.02 -0.03 -0.04 6.97 6.91 2dlcX1 GLN 174 HE22 0.32 0.02 -0.08 -0.04 7.69 7.91 2dlcX1 ALA 175 H 0.14 0.44 -0.29 -0.55 8.40 8.13 2dlcX1 ALA 175 HA 0.16 0.03 0.50 -0.75 4.34 4.28 2dlcX1 ALA 175 HB3 0.11 0.05 0.07 -0.04 1.41 1.59 2dlcX1 LEU 176 H 0.09 0.48 -0.11 -0.55 8.37 8.29 2dlcX1 LEU 176 HA 0.12 0.06 0.39 -0.75 4.35 4.17 2dlcX1 LEU 176 HB2 -0.16 0.05 0.08 -0.04 1.64 1.58 2dlcX1 LEU 176 HB3 -0.20 -0.07 -0.02 -0.04 1.64 1.31 2dlcX1 LEU 176 HG -0.04 0.16 -0.03 -0.04 1.64 1.69 2dlcX1 LEU 176 HD13 -0.43 0.01 -0.28 -0.04 0.93 0.18 2dlcX1 LEU 176 HD23 0.12 0.01 -0.05 -0.04 0.89 0.93 2dlcX1 ASP 177 H 0.21 0.45 -0.37 -0.55 8.40 8.15 2dlcX1 ASP 177 HA 0.29 -0.04 0.28 -0.75 4.63 4.40 2dlcX1 ASP 177 HB2 0.17 0.24 0.05 -0.04 2.71 3.12 2dlcX1 ASP 177 HB3 -0.05 -0.06 -0.08 -0.04 2.70 2.47 2dlcX1 GLU 178 H 0.17 0.34 -0.39 -0.55 8.60 8.17 2dlcX1 GLU 178 HA 0.16 -0.00 0.27 -0.75 4.29 3.96 2dlcX1 GLU 178 HB2 0.10 0.11 0.00 -0.04 2.09 2.26 2dlcX1 GLU 178 HB3 0.09 -0.01 -0.10 -0.04 1.99 1.92 2dlcX1 GLU 178 HG2 0.31 -0.08 -0.02 -0.04 2.34 2.51 2dlcX1 GLU 178 HG3 0.20 0.16 0.12 -0.04 2.34 2.78 2dlcX1 GLN 179 H 0.04 0.28 -0.26 -0.55 8.47 7.97 2dlcX1 GLN 179 HA -0.18 0.09 0.47 -0.75 4.36 3.99 2dlcX1 GLN 179 HB2 -0.29 0.01 0.06 -0.04 2.15 1.88 2dlcX1 GLN 179 HB3 -0.15 0.12 0.15 -0.04 2.02 2.10 2dlcX1 GLN 179 HG2 -2.13 -0.02 -0.06 -0.04 2.40 0.15 2dlcX1 GLN 179 HG3 -0.91 -0.01 -0.33 -0.04 2.39 1.10 2dlcX1 GLN 179 HE21 -0.29 0.00 -0.02 -0.04 6.97 6.62 2dlcX1 GLN 179 HE22 -0.64 -0.03 -0.09 -0.04 7.69 6.89 2dlcX1 PHE 180 H 0.22 0.51 -0.03 -0.55 8.34 8.49 2dlcX1 PHE 180 HA -0.20 0.06 0.38 -0.75 4.62 4.11 2dlcX1 PHE 180 HB2 0.01 0.02 -0.00 -0.04 3.15 3.13 2dlcX1 PHE 180 HB3 -0.45 -0.05 -0.06 -0.04 3.06 2.46 2dlcX1 PHE 180 HD2 -0.00 0.12 -0.03 -0.04 7.28 7.33 2dlcX1 PHE 180 HE2 0.02 -0.05 -0.09 -0.04 7.38 7.22 2dlcX1 PHE 180 HZ 0.06 0.04 -0.49 -0.04 7.32 6.89 2dlcX1 LEU 181 H -0.17 0.74 -0.21 -0.55 8.37 8.19 2dlcX1 LEU 181 HA -0.28 0.05 0.61 -0.75 4.35 3.97 2dlcX1 LEU 181 HB2 -0.39 0.11 -0.07 -0.04 1.64 1.25 2dlcX1 LEU 181 HB3 -0.27 -0.03 -0.08 -0.04 1.64 1.23 2dlcX1 LEU 181 HG -0.41 -0.03 -0.11 -0.04 1.64 1.06 2dlcX1 LEU 181 HD13 -0.93 -0.04 -0.19 -0.04 0.93 -0.27 2dlcX1 LEU 181 HD23 -0.22 -0.01 -0.13 -0.04 0.89 0.49 2dlcX1 ASP 182 H -0.16 0.24 -0.59 -0.55 8.40 7.34 2dlcX1 ASP 182 HA -0.12 0.06 0.32 -0.75 4.63 4.14 2dlcX1 ASP 182 HB2 -0.14 0.00 -0.19 -0.04 2.71 2.34 2dlcX1 ASP 182 HB3 -0.10 0.11 -0.08 -0.04 2.70 2.59 2dlcX1 VAL 183 H -0.05 0.36 0.02 -0.55 8.24 8.02 2dlcX1 VAL 183 HA -0.02 0.19 0.83 -0.75 4.13 4.37 2dlcX1 VAL 183 HB 0.04 0.02 0.08 -0.04 2.12 2.22 2dlcX1 VAL 183 HG13 0.08 -0.00 -0.43 -0.04 0.97 0.57 2dlcX1 VAL 183 HG23 0.15 0.03 -0.13 -0.04 0.95 0.96 2dlcX1 ASP 184 H -0.03 0.69 0.38 -0.55 8.40 8.89 2dlcX1 ASP 184 HA -0.04 0.18 0.87 -0.75 4.63 4.88 2dlcX1 ASP 184 HB2 -0.05 0.01 0.10 -0.04 2.71 2.73 2dlcX1 ASP 184 HB3 -0.04 -0.06 0.13 -0.04 2.70 2.69 2dlcX1 CYS 185 H -0.06 0.24 0.09 -0.55 8.50 8.22 2dlcX1 CYS 185 HA -0.27 0.28 0.86 -0.75 4.58 4.70 2dlcX1 CYS 185 HB2 -0.13 -0.01 -0.41 -0.04 2.97 2.38 2dlcX1 CYS 185 HB3 -0.14 0.03 -0.12 -0.04 2.97 2.69 2dlcX1 GLN 186 H -0.50 0.57 0.30 -0.55 8.47 8.30 2dlcX1 GLN 186 HA -0.34 0.17 1.07 -0.75 4.36 4.50 2dlcX1 GLN 186 HB2 -0.28 -0.01 0.00 -0.04 2.15 1.82 2dlcX1 GLN 186 HB3 -0.54 -0.03 0.10 -0.04 2.02 1.51 2dlcX1 GLN 186 HG2 -0.34 0.07 -0.17 -0.04 2.40 1.92 2dlcX1 GLN 186 HG3 -1.29 0.04 0.07 -0.04 2.39 1.17 2dlcX1 GLN 186 HE21 0.17 0.01 -0.11 -0.04 6.97 6.99 2dlcX1 GLN 186 HE22 -0.07 0.02 -0.05 -0.04 7.69 7.54 2dlcX1 PHE 187 H -0.01 0.70 0.35 -0.55 8.34 8.83 2dlcX1 PHE 187 HA 0.13 0.28 1.11 -0.75 4.62 5.39 2dlcX1 PHE 187 HB2 0.08 -0.01 -0.03 -0.04 3.15 3.15 2dlcX1 PHE 187 HB3 0.20 0.01 0.02 -0.04 3.06 3.24 2dlcX1 PHE 187 HD2 0.27 0.01 -0.12 -0.04 7.28 7.40 2dlcX1 PHE 187 HE2 -0.16 -0.02 -0.08 -0.04 7.38 7.07 2dlcX1 PHE 187 HZ -0.09 -0.02 -0.07 -0.04 7.32 7.10 2dlcX1 GLY 188 H 0.09 0.78 0.44 -0.55 8.43 9.19 2dlcX1 GLY 188 HA2 -0.30 0.06 0.38 -0.51 4.01 3.64 2dlcX1 GLY 188 HA3 -0.03 0.00 0.51 -0.51 4.01 3.98 2dlcX1 GLY 189 H -0.16 0.10 0.18 -0.55 8.43 8.00 2dlcX1 GLY 189 HA2 -0.10 0.20 0.63 -0.51 4.01 4.23 2dlcX1 GLY 189 HA3 -0.12 0.00 0.38 -0.51 4.01 3.77 2dlcX1 VAL 190 H -0.08 0.53 0.22 -0.55 8.24 8.37 2dlcX1 VAL 190 HA -0.09 0.11 0.55 -0.75 4.13 3.94 2dlcX1 VAL 190 HB -0.05 -0.01 0.09 -0.04 2.12 2.11 2dlcX1 VAL 190 HG13 -0.02 0.07 -0.10 -0.04 0.97 0.89 2dlcX1 VAL 190 HG23 -0.07 0.03 0.06 -0.04 0.95 0.92 2dlcX1 ASP 191 H -0.12 0.07 -0.29 -0.55 8.40 7.52 2dlcX1 ASP 191 HA -0.10 0.13 0.53 -0.75 4.63 4.44 2dlcX1 ASP 191 HB2 -0.08 0.17 0.12 -0.04 2.71 2.88 2dlcX1 ASP 191 HB3 -0.07 -0.02 0.07 -0.04 2.70 2.65 2dlcX1 GLN 192 H -0.32 0.45 -0.54 -0.55 8.47 7.51 2dlcX1 GLN 192 HA -0.31 0.16 0.70 -0.75 4.36 4.16 2dlcX1 GLN 192 HB2 -1.45 0.15 -0.06 -0.04 2.15 0.75 2dlcX1 GLN 192 HB3 -0.88 -0.05 0.08 -0.04 2.02 1.13 2dlcX1 GLN 192 HG2 -0.30 -0.10 -0.01 -0.04 2.40 1.95 2dlcX1 GLN 192 HG3 -0.31 0.00 0.06 -0.04 2.39 2.11 2dlcX1 GLN 192 HE21 -0.08 0.05 -0.06 -0.04 6.97 6.84 2dlcX1 GLN 192 HE22 -0.14 -0.09 -0.09 -0.04 7.69 7.33 2dlcX1 ARG 193 H -0.26 0.45 -0.33 -0.55 8.46 7.77 2dlcX1 ARG 193 HA -0.17 0.03 0.17 -0.75 4.34 3.61 2dlcX1 ARG 193 HB2 -0.09 0.17 0.15 -0.04 1.90 2.08 2dlcX1 ARG 193 HB3 -0.07 0.00 0.04 -0.04 1.80 1.73 2dlcX1 ARG 193 HG2 -0.00 -0.06 -0.09 -0.04 1.67 1.48 2dlcX1 ARG 193 HG3 0.02 -0.00 -0.01 -0.04 1.67 1.64 2dlcX1 ARG 193 HD2 -0.02 0.04 -0.01 -0.04 3.22 3.19 2dlcX1 ARG 193 HD3 -0.01 -0.01 -0.06 -0.04 3.22 3.10 2dlcX1 LYS 194 H -0.11 0.18 -0.26 -0.55 8.42 7.67 2dlcX1 LYS 194 HA -0.02 0.04 0.38 -0.75 4.32 3.96 2dlcX1 LYS 194 HB2 -0.04 0.24 0.14 -0.04 1.87 2.16 2dlcX1 LYS 194 HB3 -0.02 -0.01 0.06 -0.04 1.79 1.78 2dlcX1 LYS 194 HG2 -0.03 -0.02 -0.02 -0.04 1.46 1.35 2dlcX1 LYS 194 HG3 -0.06 -0.06 0.02 -0.04 1.46 1.32 2dlcX1 LYS 194 HD2 -0.05 -0.07 0.01 -0.04 1.69 1.55 2dlcX1 LYS 194 HD3 -0.03 0.17 0.01 -0.04 1.68 1.80 2dlcX1 LYS 194 HE2 -0.02 -0.02 -0.02 -0.04 2.99 2.89 2dlcX1 LYS 194 HE3 -0.03 -0.02 -0.02 -0.04 2.99 2.88 2dlcX1 ILE 195 H -0.08 0.19 -0.13 -0.55 8.25 7.68 2dlcX1 ILE 195 HA 0.06 0.05 0.56 -0.75 4.18 4.10 2dlcX1 ILE 195 HB 0.00 0.08 0.11 -0.04 1.89 2.04 2dlcX1 ILE 195 HG12 0.08 -0.05 -0.11 -0.04 1.49 1.37 2dlcX1 ILE 195 HG13 -0.01 0.14 0.07 -0.04 1.21 1.37 2dlcX1 ILE 195 HG23 0.16 -0.00 -0.10 -0.04 0.93 0.95 2dlcX1 ILE 195 HD13 0.10 -0.03 -0.01 -0.04 0.88 0.90 2dlcX1 PHE 196 H 0.02 0.60 -0.07 -0.55 8.34 8.33 2dlcX1 PHE 196 HA -0.34 0.03 0.37 -0.75 4.62 3.93 2dlcX1 PHE 196 HB2 -0.19 0.06 0.04 -0.04 3.15 3.02 2dlcX1 PHE 196 HB3 -0.65 -0.01 -0.09 -0.04 3.06 2.26 2dlcX1 PHE 196 HD2 -0.04 -0.06 -0.17 -0.04 7.28 6.96 2dlcX1 PHE 196 HE2 -0.00 0.07 -0.13 -0.04 7.38 7.27 2dlcX1 PHE 196 HZ -0.08 0.00 -0.40 -0.04 7.32 6.80 2dlcX1 VAL 197 H 0.02 0.65 -0.16 -0.55 8.24 8.20 2dlcX1 VAL 197 HA -0.01 0.02 0.47 -0.75 4.13 3.85 2dlcX1 VAL 197 HB 0.01 0.09 0.13 -0.04 2.12 2.31 2dlcX1 VAL 197 HG13 0.02 -0.01 -0.10 -0.04 0.97 0.83 2dlcX1 VAL 197 HG23 0.02 0.01 0.01 -0.04 0.95 0.94 2dlcX1 LEU 198 H 0.03 0.45 -0.18 -0.55 8.37 8.12 2dlcX1 LEU 198 HA 0.04 -0.01 0.45 -0.75 4.35 4.07 2dlcX1 LEU 198 HB2 0.04 0.10 0.18 -0.04 1.64 1.92 2dlcX1 LEU 198 HB3 0.06 0.15 0.13 -0.04 1.64 1.94 2dlcX1 LEU 198 HG 0.05 -0.02 -0.11 -0.04 1.64 1.52 2dlcX1 LEU 198 HD13 0.03 -0.01 -0.05 -0.04 0.93 0.86 2dlcX1 LEU 198 HD23 0.06 0.00 -0.15 -0.04 0.89 0.77 2dlcX1 ALA 199 H 0.06 0.56 -0.23 -0.55 8.40 8.24 2dlcX1 ALA 199 HA 0.09 -0.02 0.46 -0.75 4.34 4.12 2dlcX1 ALA 199 HB3 0.12 0.05 0.11 -0.04 1.41 1.64 2dlcX1 GLU 200 H 0.04 0.44 -0.10 -0.55 8.60 8.44 2dlcX1 GLU 200 HA 0.11 -0.01 0.49 -0.75 4.29 4.14 2dlcX1 GLU 200 HB2 0.05 0.06 0.21 -0.04 2.09 2.37 2dlcX1 GLU 200 HB3 0.07 -0.07 0.02 -0.04 1.99 1.97 2dlcX1 GLU 200 HG2 0.18 0.03 0.09 -0.04 2.34 2.60 2dlcX1 GLU 200 HG3 0.23 0.09 0.05 -0.04 2.34 2.67 2dlcX1 GLU 201 H 0.05 0.50 -0.18 -0.55 8.60 8.42 2dlcX1 GLU 201 HA 0.04 0.04 0.45 -0.75 4.29 4.06 2dlcX1 GLU 201 HB2 0.03 0.08 0.11 -0.04 2.09 2.27 2dlcX1 GLU 201 HB3 0.03 -0.06 0.06 -0.04 1.99 1.97 2dlcX1 GLU 201 HG2 0.03 -0.05 -0.02 -0.04 2.34 2.26 2dlcX1 GLU 201 HG3 0.03 0.19 0.02 -0.04 2.34 2.53 2dlcX1 ASN 202 H 0.06 0.24 -0.31 -0.55 8.53 7.97 2dlcX1 ASN 202 HA 0.03 0.17 0.87 -0.75 4.76 5.08 2dlcX1 ASN 202 HB2 0.05 0.20 0.07 -0.04 2.88 3.16 2dlcX1 ASN 202 HB3 0.04 -0.06 -0.03 -0.04 2.79 2.70 2dlcX1 ASN 202 HD21 0.03 -0.10 -0.05 -0.04 7.03 6.87 2dlcX1 ASN 202 HD22 0.04 0.23 0.06 -0.04 7.74 8.03 2dlcX1 LEU 203 H 0.08 0.48 0.08 -0.55 8.37 8.46 2dlcX1 LEU 203 HA 0.12 -0.03 0.42 -0.75 4.35 4.11 2dlcX1 LEU 203 HB2 0.11 0.16 0.08 -0.04 1.64 1.95 2dlcX1 LEU 203 HB3 0.17 -0.00 -0.16 -0.04 1.64 1.61 2dlcX1 LEU 203 HG 0.12 0.02 0.10 -0.04 1.64 1.84 2dlcX1 LEU 203 HD13 0.11 0.04 -0.02 -0.04 0.93 1.02 2dlcX1 LEU 203 HD23 0.20 -0.03 -0.15 -0.04 0.89 0.88 2dlcX1 PRO 204 HA 0.02 0.30 0.51 -0.51 4.44 4.76 2dlcX1 PRO 204 HB2 0.02 0.02 -0.08 -0.04 2.28 2.20 2dlcX1 PRO 204 HB3 0.02 -0.03 0.03 -0.04 2.02 1.99 2dlcX1 PRO 204 HG2 0.04 0.10 0.03 -0.04 2.03 2.15 2dlcX1 PRO 204 HG3 0.04 -0.05 0.00 -0.04 2.03 1.98 2dlcX1 PRO 204 HD2 0.05 0.07 -0.40 -0.04 3.68 3.35 2dlcX1 PRO 204 HD3 0.07 0.13 -0.00 -0.04 3.65 3.81 2dlcX1 SER 205 H 0.01 0.26 -0.40 -0.55 8.46 7.78 2dlcX1 SER 205 HA -0.02 0.02 0.44 -0.75 4.49 4.18 2dlcX1 SER 205 HB2 0.00 0.27 0.12 -0.04 3.95 4.30 2dlcX1 SER 205 HB3 -0.01 -0.05 0.03 -0.04 3.93 3.86 2dlcX1 LEU 206 H -0.07 0.36 -0.37 -0.55 8.37 7.75 2dlcX1 LEU 206 HA -0.15 0.10 0.59 -0.75 4.35 4.13 2dlcX1 LEU 206 HB2 -0.09 0.14 0.15 -0.04 1.64 1.79 2dlcX1 LEU 206 HB3 -0.64 -0.06 0.02 -0.04 1.64 0.93 2dlcX1 LEU 206 HG -0.07 -0.06 0.03 -0.04 1.64 1.50 2dlcX1 LEU 206 HD13 -0.02 0.01 -0.23 -0.04 0.93 0.64 2dlcX1 LEU 206 HD23 0.13 -0.00 -0.02 -0.04 0.89 0.95 2dlcX1 GLY 207 H -0.15 0.38 -0.37 -0.55 8.43 7.74 2dlcX1 GLY 207 HA2 -0.10 0.02 0.27 -0.51 4.01 3.68 2dlcX1 GLY 207 HA3 -0.23 0.10 0.77 -0.51 4.01 4.13 2dlcX1 TYR 208 H -0.17 0.32 -0.01 -0.55 8.29 7.88 2dlcX1 TYR 208 HA -0.02 0.11 0.66 -0.75 4.56 4.55 2dlcX1 TYR 208 HB2 0.01 0.03 -0.06 -0.04 3.06 3.00 2dlcX1 TYR 208 HB3 -0.01 0.01 -0.01 -0.04 2.98 2.93 2dlcX1 TYR 208 HD2 -0.01 0.03 -0.12 -0.04 7.15 7.00 2dlcX1 TYR 208 HE2 -0.01 -0.04 -0.07 -0.04 6.85 6.70 2dlcX1 LYS 209 H 0.11 0.10 0.08 -0.55 8.42 8.15 2dlcX1 LYS 209 HA 0.05 0.04 0.38 -0.75 4.32 4.03 2dlcX1 LYS 209 HB2 0.02 0.03 0.10 -0.04 1.87 1.98 2dlcX1 LYS 209 HB3 0.03 -0.03 0.08 -0.04 1.79 1.83 2dlcX1 LYS 209 HG2 0.02 -0.08 0.04 -0.04 1.46 1.40 2dlcX1 LYS 209 HG3 0.00 0.14 -0.20 -0.04 1.46 1.36 2dlcX1 LYS 209 HD2 -0.01 0.01 -0.00 -0.04 1.69 1.65 2dlcX1 LYS 209 HD3 0.00 -0.05 0.01 -0.04 1.68 1.60 2dlcX1 LYS 209 HE2 -0.03 0.14 -0.05 -0.04 2.99 3.01 2dlcX1 LYS 209 HE3 -0.02 -0.02 -0.04 -0.04 2.99 2.86 2dlcX1 LYS 210 H 0.03 0.04 0.15 -0.55 8.42 8.09 2dlcX1 LYS 210 HA 0.06 0.10 0.63 -0.75 4.32 4.36 2dlcX1 LYS 210 HB2 0.04 0.02 0.16 -0.04 1.87 2.05 2dlcX1 LYS 210 HB3 0.03 -0.08 0.08 -0.04 1.79 1.77 2dlcX1 LYS 210 HG2 0.05 -0.06 -0.10 -0.04 1.46 1.31 2dlcX1 LYS 210 HG3 0.08 0.01 0.14 -0.04 1.46 1.64 2dlcX1 LYS 210 HD2 0.06 -0.02 0.07 -0.04 1.69 1.76 2dlcX1 LYS 210 HD3 0.05 0.07 0.09 -0.04 1.68 1.85 2dlcX1 LYS 210 HE2 0.04 -0.06 -0.01 -0.04 2.99 2.92 2dlcX1 LYS 210 HE3 0.05 -0.07 -0.01 -0.04 2.99 2.92 2dlcX1 ARG 211 H 0.04 0.14 0.11 -0.55 8.46 8.20 2dlcX1 ARG 211 HA -0.07 0.25 0.86 -0.75 4.34 4.62 2dlcX1 ARG 211 HB2 -0.08 -0.08 -0.04 -0.04 1.90 1.66 2dlcX1 ARG 211 HB3 -0.33 0.04 -0.14 -0.04 1.80 1.33 2dlcX1 ARG 211 HG2 -0.06 -0.12 -0.46 -0.04 1.67 0.99 2dlcX1 ARG 211 HG3 -0.07 0.08 -0.38 -0.04 1.67 1.26 2dlcX1 ARG 211 HD2 -0.00 0.04 -0.60 -0.04 3.22 2.62 2dlcX1 ARG 211 HD3 0.02 -0.09 -0.24 -0.04 3.22 2.86 2dlcX1 ALA 212 H -0.15 0.48 0.33 -0.55 8.40 8.51 2dlcX1 ALA 212 HA -0.05 0.11 0.72 -0.75 4.34 4.36 2dlcX1 ALA 212 HB3 -0.05 -0.02 0.11 -0.04 1.41 1.41 2dlcX1 HIS 213 H 0.04 0.57 0.30 -0.55 8.41 8.77 2dlcX1 HIS 213 HA -0.19 0.29 1.02 -0.75 4.63 4.99 2dlcX1 HIS 213 HB2 0.02 -0.11 0.06 -0.04 3.26 3.19 2dlcX1 HIS 213 HB3 -0.04 0.01 -0.03 -0.04 3.20 3.10 2dlcX1 HIS 213 HD2 -1.66 0.00 0.01 -0.04 6.97 5.28 2dlcX1 HIS 213 HE1 -0.05 -0.04 -0.06 -0.04 7.75 7.55 2dlcX1 LEU 214 H 0.10 0.62 0.32 -0.55 8.37 8.87 2dlcX1 LEU 214 HA 0.18 0.17 1.03 -0.75 4.35 4.97 2dlcX1 LEU 214 HB2 0.41 -0.07 0.11 -0.04 1.64 2.05 2dlcX1 LEU 214 HB3 0.25 0.10 0.00 -0.04 1.64 1.96 2dlcX1 LEU 214 HG -0.02 -0.09 -0.26 -0.04 1.64 1.22 2dlcX1 LEU 214 HD13 -0.18 0.04 -0.15 -0.04 0.93 0.60 2dlcX1 LEU 214 HD23 -0.02 0.02 -0.17 -0.04 0.89 0.68 2dlcX1 MET 215 H 0.21 0.56 0.29 -0.55 8.47 8.98 2dlcX1 MET 215 HA 0.20 0.60 1.15 -0.75 4.52 5.71 2dlcX1 MET 215 HB2 0.12 0.00 0.10 -0.04 2.15 2.33 2dlcX1 MET 215 HB3 0.04 -0.09 -0.19 -0.04 2.03 1.76 2dlcX1 MET 215 HG2 0.04 0.15 -0.29 -0.04 2.63 2.49 2dlcX1 MET 215 HG3 0.40 -0.04 -0.59 -0.04 2.56 2.29 2dlcX1 MET 215 HE3 0.16 0.03 -0.19 -0.04 2.10 2.06 2dlcX1 ASN 216 H 0.11 0.40 0.23 -0.55 8.53 8.72 2dlcX1 ASN 216 HA 0.10 0.15 0.85 -0.75 4.76 5.12 2dlcX1 ASN 216 HB2 0.07 0.17 0.08 -0.04 2.88 3.15 2dlcX1 ASN 216 HB3 0.36 0.05 -0.01 -0.04 2.79 3.16 2dlcX1 ASN 216 HD21 -0.22 -0.15 -0.29 -0.04 7.03 6.33 2dlcX1 ASN 216 HD22 -0.29 0.10 -0.19 -0.04 7.74 7.31 2dlcX1 PRO 217 HA -0.16 -0.02 0.64 -0.51 4.44 4.39 2dlcX1 PRO 217 HB2 -0.91 0.11 -0.03 -0.04 2.28 1.41 2dlcX1 PRO 217 HB3 -0.26 0.01 0.13 -0.04 2.02 1.85 2dlcX1 PRO 217 HG2 -0.30 0.04 0.07 -0.04 2.03 1.80 2dlcX1 PRO 217 HG3 -0.09 0.12 0.08 -0.04 2.03 2.10 2dlcX1 PRO 217 HD2 -0.02 0.18 0.33 -0.04 3.68 4.13 2dlcX1 PRO 217 HD3 -0.02 0.06 0.32 -0.04 3.65 3.97 2dlcX1 MET 218 H -0.19 0.10 0.18 -0.55 8.47 8.01 2dlcX1 MET 218 HA -0.10 0.12 0.76 -0.75 4.52 4.55 2dlcX1 MET 218 HB2 -0.08 0.00 0.04 -0.04 2.15 2.07 2dlcX1 MET 218 HB3 -0.04 0.09 -0.04 -0.04 2.03 2.00 2dlcX1 MET 218 HG2 -0.08 -0.03 0.07 -0.04 2.63 2.54 2dlcX1 MET 218 HG3 -0.05 0.05 0.01 -0.04 2.56 2.53 2dlcX1 MET 218 HE3 -0.03 0.04 0.03 -0.04 2.10 2.10 2dlcX1 VAL 219 H -0.02 0.14 0.13 -0.55 8.24 7.94 2dlcX1 VAL 219 HA 0.08 0.18 0.80 -0.75 4.13 4.44 2dlcX1 VAL 219 HB 0.10 0.05 0.05 -0.04 2.12 2.27 2dlcX1 VAL 219 HG13 0.11 -0.01 0.15 -0.04 0.97 1.17 2dlcX1 VAL 219 HG23 0.28 0.01 -0.14 -0.04 0.95 1.06 2dlcX1 PRO 220 HA 0.04 -0.01 0.32 -0.51 4.44 4.27 2dlcX1 PRO 220 HB2 0.08 0.08 -0.02 -0.04 2.28 2.38 2dlcX1 PRO 220 HB3 0.05 -0.02 0.10 -0.04 2.02 2.10 2dlcX1 PRO 220 HG2 0.12 -0.00 0.05 -0.04 2.03 2.16 2dlcX1 PRO 220 HG3 0.07 0.05 0.06 -0.04 2.03 2.16 2dlcX1 PRO 220 HD2 0.20 0.05 0.11 -0.04 3.68 3.99 2dlcX1 PRO 220 HD3 0.12 0.39 0.31 -0.04 3.65 4.42 2dlcX1 GLY 221 H 0.03 0.04 0.12 -0.55 8.43 8.08 2dlcX1 GLY 221 HA2 0.03 0.21 0.58 -0.51 4.01 4.33 2dlcX1 GLY 221 HA3 0.01 -0.04 0.32 -0.51 4.01 3.79 2dlcX1 LEU 222 H 0.02 0.44 0.29 -0.55 8.37 8.58 2dlcX1 LEU 222 HA 0.05 0.05 0.61 -0.75 4.35 4.30 2dlcX1 LEU 222 HB2 0.01 0.02 0.17 -0.04 1.64 1.80 2dlcX1 LEU 222 HB3 0.02 0.03 0.08 -0.04 1.64 1.73 2dlcX1 LEU 222 HG 0.01 0.08 -0.05 -0.04 1.64 1.63 2dlcX1 LEU 222 HD13 -0.03 0.03 -0.26 -0.04 0.93 0.63 2dlcX1 LEU 222 HD23 -0.02 -0.01 -0.13 -0.04 0.89 0.69 2dlcX1 ALA 223 H 0.02 0.05 0.01 -0.55 8.40 7.94 2dlcX1 ALA 223 HA 0.06 0.18 0.39 -0.75 4.34 4.21 2dlcX1 ALA 223 HB3 0.01 0.03 0.13 -0.04 1.41 1.53 2dlcX1 ASN 234 HA -0.01 0.01 0.22 -0.75 4.76 4.23 2dlcX1 ASN 234 HB2 -0.00 -0.01 0.06 -0.04 2.88 2.89 2dlcX1 ASN 234 HB3 -0.00 -0.00 -0.09 -0.04 2.79 2.65 2dlcX1 ASN 234 HD21 -0.00 0.01 0.01 -0.04 7.03 7.00 2dlcX1 ASN 234 HD22 -0.00 -0.00 0.01 -0.04 7.74 7.71 2dlcX1 SER 235 H -0.02 0.19 0.22 -0.55 8.46 8.31 2dlcX1 SER 235 HA -0.00 0.24 1.04 -0.75 4.49 5.01 2dlcX1 SER 235 HB2 0.00 -0.40 0.00 -0.04 3.95 3.52 2dlcX1 SER 235 HB3 -0.00 0.11 -14.00 -0.04 3.93 -10.01 2dlcX1 LYS 236 H -0.03 0.20 0.08 -0.55 8.42 8.11 2dlcX1 LYS 236 HA -0.00 0.19 0.74 -0.75 4.32 4.49 2dlcX1 LYS 236 HB2 -0.14 -0.08 0.03 -0.04 1.87 1.64 2dlcX1 LYS 236 HB3 -0.25 0.05 0.00 -0.04 1.79 1.56 2dlcX1 LYS 236 HG2 -0.18 0.04 -0.04 -0.04 1.46 1.23 2dlcX1 LYS 236 HG3 -0.07 -0.03 0.05 -0.04 1.46 1.38 2dlcX1 LYS 236 HD2 -0.00 0.00 -0.22 -0.04 1.69 1.43 2dlcX1 LYS 236 HD3 0.05 -0.06 -0.47 -0.04 1.68 1.16 2dlcX1 LYS 236 HE2 0.07 0.00 -0.09 -0.04 2.99 2.93 2dlcX1 LYS 236 HE3 0.01 0.02 -0.06 -0.04 2.99 2.93 2dlcX1 ILE 237 H 0.10 0.10 0.10 -0.55 8.25 8.00 2dlcX1 ILE 237 HA 0.02 0.20 0.90 -0.75 4.18 4.54 2dlcX1 ILE 237 HB 0.08 -0.07 0.09 -0.04 1.89 1.95 2dlcX1 ILE 237 HG12 -0.01 -0.13 -0.38 -0.04 1.49 0.93 2dlcX1 ILE 237 HG13 -0.10 0.03 -0.08 -0.04 1.21 1.02 2dlcX1 ILE 237 HG23 0.02 0.07 -0.08 -0.04 0.93 0.90 2dlcX1 ILE 237 HD13 -0.05 0.03 -0.12 -0.04 0.88 0.70 2dlcX1 ASP 238 H 0.01 0.17 0.07 -0.55 8.40 8.11 2dlcX1 ASP 238 HA 0.03 0.17 0.46 -0.75 4.63 4.54 2dlcX1 ASP 238 HB2 -0.03 0.07 0.07 -0.04 2.71 2.78 2dlcX1 ASP 238 HB3 -0.04 -0.07 -0.03 -0.04 2.70 2.52 2dlcX1 LEU 239 H -0.05 0.52 0.22 -0.55 8.37 8.51 2dlcX1 LEU 239 HA 0.02 0.10 0.34 -0.75 4.35 4.06 2dlcX1 LEU 239 HB2 -0.13 0.06 0.01 -0.04 1.64 1.54 2dlcX1 LEU 239 HB3 -0.10 0.03 0.00 -0.04 1.64 1.54 2dlcX1 LEU 239 HG -0.13 -0.15 -0.41 -0.04 1.64 0.91 2dlcX1 LEU 239 HD13 -0.32 0.01 -0.20 -0.04 0.93 0.38 2dlcX1 LEU 239 HD23 -0.38 0.01 -0.15 -0.04 0.89 0.33 2dlcX1 LEU 240 H -0.08 -0.02 -0.45 -0.55 8.37 7.28 2dlcX1 LEU 240 HA -0.07 0.26 0.69 -0.75 4.35 4.47 2dlcX1 LEU 240 HB2 -0.27 -0.04 -0.02 -0.04 1.64 1.27 2dlcX1 LEU 240 HB3 -0.31 0.02 0.10 -0.04 1.64 1.40 2dlcX1 LEU 240 HG -0.19 -0.09 -0.27 -0.04 1.64 1.04 2dlcX1 LEU 240 HD13 -0.89 0.00 -0.06 -0.04 0.93 -0.05 2dlcX1 LEU 240 HD23 -0.17 0.05 -0.19 -0.04 0.89 0.54 2dlcX1 GLU 241 H -0.02 0.44 -0.37 -0.55 8.60 8.10 2dlcX1 GLU 241 HA -0.04 -0.03 0.39 -0.75 4.29 3.85 2dlcX1 GLU 241 HB2 -0.00 0.12 0.10 -0.04 2.09 2.26 2dlcX1 GLU 241 HB3 0.00 0.03 -0.08 -0.04 1.99 1.90 2dlcX1 GLU 241 HG2 -0.01 0.02 -0.21 -0.04 2.34 2.10 2dlcX1 GLU 241 HG3 -0.01 -0.06 -0.03 -0.04 2.34 2.19 2dlcX1 GLU 242 H -0.03 0.06 0.17 -0.55 8.60 8.25 2dlcX1 GLU 242 HA -0.01 0.25 0.53 -0.75 4.29 4.31 2dlcX1 GLU 242 HB2 -0.01 -0.13 0.15 -0.04 2.09 2.06 2dlcX1 GLU 242 HB3 -0.00 -0.04 0.10 -0.04 1.99 2.00 2dlcX1 GLU 242 HG2 -0.03 0.08 0.09 -0.04 2.34 2.44 2dlcX1 GLU 242 HG3 -0.01 0.00 0.06 -0.04 2.34 2.35 2dlcX1 PRO 243 HA 0.01 0.13 0.42 -0.51 4.44 4.48 2dlcX1 PRO 243 HB2 0.01 -0.03 0.07 -0.04 2.28 2.29 2dlcX1 PRO 243 HB3 0.01 0.09 0.08 -0.04 2.02 2.15 2dlcX1 PRO 243 HG2 0.01 0.06 0.09 -0.04 2.03 2.15 2dlcX1 PRO 243 HG3 0.01 0.14 0.10 -0.04 2.03 2.24 2dlcX1 PRO 243 HD2 0.01 0.06 0.23 -0.04 3.68 3.93 2dlcX1 PRO 243 HD3 0.01 0.29 0.22 -0.04 3.65 4.12 2dlcX1 LYS 244 H 0.00 0.15 -0.17 -0.55 8.42 7.85 2dlcX1 LYS 244 HA 0.00 0.12 0.48 -0.75 4.32 4.17 2dlcX1 LYS 244 HB2 0.00 0.05 0.08 -0.04 1.87 1.96 2dlcX1 LYS 244 HB3 0.00 0.01 0.08 -0.04 1.79 1.84 2dlcX1 LYS 244 HG2 -0.00 -0.07 -0.14 -0.04 1.46 1.21 2dlcX1 LYS 244 HG3 -0.00 0.02 -0.20 -0.04 1.46 1.24 2dlcX1 LYS 244 HD2 0.00 0.02 -0.02 -0.04 1.69 1.66 2dlcX1 LYS 244 HD3 0.00 0.00 -0.00 -0.04 1.68 1.64 2dlcX1 LYS 244 HE2 -0.00 0.02 -0.04 -0.04 2.99 2.93 2dlcX1 LYS 244 HE3 -0.00 0.03 -0.01 -0.04 2.99 2.96 2dlcX1 GLN 245 H -0.01 0.16 -0.31 -0.55 8.47 7.77 2dlcX1 GLN 245 HA -0.01 0.11 0.65 -0.75 4.36 4.36 2dlcX1 GLN 245 HB2 -0.01 -0.01 0.15 -0.04 2.15 2.24 2dlcX1 GLN 245 HB3 -0.01 0.02 0.02 -0.04 2.02 2.01 2dlcX1 GLN 245 HG2 -0.01 -0.03 0.03 -0.04 2.40 2.35 2dlcX1 GLN 245 HG3 -0.02 0.04 0.05 -0.04 2.39 2.42 2dlcX1 GLN 245 HE21 -0.01 0.03 0.02 -0.04 6.97 6.97 2dlcX1 GLN 245 HE22 -0.01 0.01 0.06 -0.04 7.69 7.72 2dlcX1 VAL 246 H -0.00 0.55 -0.15 -0.55 8.24 8.10 2dlcX1 VAL 246 HA -0.01 0.02 0.47 -0.75 4.13 3.85 2dlcX1 VAL 246 HB -0.00 0.15 0.12 -0.04 2.12 2.35 2dlcX1 VAL 246 HG13 -0.02 -0.01 -0.12 -0.04 0.97 0.78 2dlcX1 VAL 246 HG23 0.01 0.02 -0.20 -0.04 0.95 0.74 2dlcX1 LYS 247 H -0.00 0.50 -0.13 -0.55 8.42 8.24 2dlcX1 LYS 247 HA -0.01 0.02 0.39 -0.75 4.32 3.97 2dlcX1 LYS 247 HB2 0.00 0.05 0.12 -0.04 1.87 2.00 2dlcX1 LYS 247 HB3 -0.00 0.16 0.16 -0.04 1.79 2.07 2dlcX1 LYS 247 HG2 -0.00 -0.03 -0.09 -0.04 1.46 1.30 2dlcX1 LYS 247 HG3 0.00 -0.01 0.00 -0.04 1.46 1.41 2dlcX1 LYS 247 HD2 0.00 -0.02 -0.03 -0.04 1.69 1.60 2dlcX1 LYS 247 HD3 0.00 -0.03 0.01 -0.04 1.68 1.63 2dlcX1 LYS 247 HE2 -0.00 0.01 -0.34 -0.04 2.99 2.62 2dlcX1 LYS 247 HE3 0.00 -0.02 -0.07 -0.04 2.99 2.86 2dlcX1 LYS 248 H -0.01 0.32 -0.30 -0.55 8.42 7.87 2dlcX1 LYS 248 HA -0.00 0.03 0.32 -0.75 4.32 3.91 2dlcX1 LYS 248 HB2 -0.00 0.10 0.17 -0.04 1.87 2.09 2dlcX1 LYS 248 HB3 -0.01 0.06 0.08 -0.04 1.79 1.89 2dlcX1 LYS 248 HG2 -0.00 0.01 -0.05 -0.04 1.46 1.38 2dlcX1 LYS 248 HG3 -0.00 -0.02 0.04 -0.04 1.46 1.44 2dlcX1 LYS 248 HD2 -0.00 -0.01 0.01 -0.04 1.69 1.65 2dlcX1 LYS 248 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.62 2dlcX1 LYS 248 HE2 -0.00 -0.01 -0.01 -0.04 2.99 2.94 2dlcX1 LYS 248 HE3 -0.00 0.01 0.00 -0.04 2.99 2.96 2dlcX1 LYS 249 H -0.01 0.46 -0.16 -0.55 8.42 8.16 2dlcX1 LYS 249 HA -0.01 0.07 0.37 -0.75 4.32 4.00 2dlcX1 LYS 249 HB2 -0.02 0.02 0.09 -0.04 1.87 1.92 2dlcX1 LYS 249 HB3 -0.01 -0.02 -0.07 -0.04 1.79 1.65 2dlcX1 LYS 249 HG2 -0.01 -0.01 0.03 -0.04 1.46 1.44 2dlcX1 LYS 249 HG3 -0.01 0.17 0.11 -0.04 1.46 1.69 2dlcX1 LYS 249 HD2 -0.01 -0.12 0.00 -0.04 1.69 1.53 2dlcX1 LYS 249 HD3 -0.01 0.09 -0.08 -0.04 1.68 1.64 2dlcX1 LYS 249 HE2 -0.01 0.01 0.04 -0.04 2.99 2.99 2dlcX1 LYS 249 HE3 -0.01 -0.06 0.03 -0.04 2.99 2.90 2dlcX1 ILE 250 H -0.02 0.53 -0.19 -0.55 8.25 8.02 2dlcX1 ILE 250 HA -0.03 -0.02 0.43 -0.75 4.18 3.81 2dlcX1 ILE 250 HB -0.02 0.14 0.15 -0.04 1.89 2.12 2dlcX1 ILE 250 HG12 -0.05 0.17 0.02 -0.04 1.49 1.59 2dlcX1 ILE 250 HG13 -0.06 -0.08 -0.10 -0.04 1.21 0.93 2dlcX1 ILE 250 HG23 -0.01 0.00 -0.09 -0.04 0.93 0.79 2dlcX1 ILE 250 HD13 -0.13 -0.03 -0.09 -0.04 0.88 0.59 2dlcX1 ASN 251 H -0.01 0.56 -0.08 -0.55 8.53 8.45 2dlcX1 ASN 251 HA -0.01 -0.03 0.37 -0.75 4.76 4.33 2dlcX1 ASN 251 HB2 -0.01 0.02 0.12 -0.04 2.88 2.97 2dlcX1 ASN 251 HB3 -0.00 0.10 0.13 -0.04 2.79 2.97 2dlcX1 ASN 251 HD21 -0.01 -0.05 0.00 -0.04 7.03 6.93 2dlcX1 ASN 251 HD22 -0.01 -0.02 0.04 -0.04 7.74 7.70 2dlcX1 SER 252 H 0.00 0.38 -0.31 -0.55 8.46 7.98 2dlcX1 SER 252 HA 0.01 0.04 0.40 -0.75 4.49 4.18 2dlcX1 SER 252 HB2 0.01 -0.10 0.08 -0.04 3.95 3.90 2dlcX1 SER 252 HB3 0.01 0.01 0.07 -0.04 3.93 3.97 2dlcX1 ALA 253 H 0.01 0.31 -0.42 -0.55 8.40 7.75 2dlcX1 ALA 253 HA 0.06 -0.09 0.32 -0.75 4.34 3.88 2dlcX1 ALA 253 HB3 0.02 0.01 0.13 -0.04 1.41 1.53 2dlcX1 PHE 254 H 0.20 0.23 0.33 -0.55 8.34 8.55 2dlcX1 PHE 254 HA 0.01 0.06 0.55 -0.75 4.62 4.49 2dlcX1 PHE 254 HB2 0.01 -0.01 0.20 -0.04 3.15 3.31 2dlcX1 PHE 254 HB3 0.01 -0.04 0.19 -0.04 3.06 3.18 2dlcX1 PHE 254 HD2 0.01 0.03 -0.05 -0.04 7.28 7.23 2dlcX1 PHE 254 HE2 0.02 0.05 0.05 -0.04 7.38 7.47 2dlcX1 PHE 254 HZ 0.02 -0.02 0.03 -0.04 7.32 7.32 2dlcX1 CYS 255 H -0.69 0.14 0.08 -0.55 8.50 7.47 2dlcX1 CYS 255 HA -0.20 0.06 0.62 -0.75 4.58 4.30 2dlcX1 CYS 255 HB2 -0.07 0.17 -0.41 -0.04 2.97 2.62 2dlcX1 CYS 255 HB3 -0.07 -0.04 0.13 -0.04 2.97 2.96 2dlcX1 SER 256 H -0.41 0.18 0.15 -0.55 8.46 7.83 2dlcX1 SER 256 HA -0.19 0.19 0.81 -0.75 4.49 4.54 2dlcX1 SER 256 HB2 -0.22 -0.02 0.12 -0.04 3.95 3.78 2dlcX1 SER 256 HB3 0.04 -0.07 0.12 -0.04 3.93 3.98 2dlcX1 PRO 257 HA -0.33 0.04 0.51 -0.51 4.44 4.15 2dlcX1 PRO 257 HB2 -0.10 0.01 0.19 -0.04 2.28 2.34 2dlcX1 PRO 257 HB3 -0.17 0.07 0.14 -0.04 2.02 2.02 2dlcX1 PRO 257 HG2 -0.08 0.02 0.16 -0.04 2.03 2.09 2dlcX1 PRO 257 HG3 -0.11 0.04 0.17 -0.04 2.03 2.10 2dlcX1 PRO 257 HD2 -0.07 0.06 0.27 -0.04 3.68 3.90 2dlcX1 PRO 257 HD3 -0.10 0.23 0.35 -0.04 3.65 4.09 2dlcX1 GLY 258 H -0.65 0.19 0.21 -0.55 8.43 7.62 2dlcX1 GLY 258 HA2 -0.17 0.29 0.40 -0.51 4.01 4.02 2dlcX1 GLY 258 HA3 -0.08 0.13 0.56 -0.51 4.01 4.12 2dlcX1 ASN 259 H 0.13 0.34 -0.56 -0.55 8.53 7.90 2dlcX1 ASN 259 HA 0.12 -0.03 0.55 -0.75 4.76 4.64 2dlcX1 ASN 259 HB2 0.13 0.05 0.02 -0.04 2.88 3.05 2dlcX1 ASN 259 HB3 0.20 0.05 0.15 -0.04 2.79 3.14 2dlcX1 ASN 259 HD21 0.14 -0.01 0.02 -0.04 7.03 7.13 2dlcX1 ASN 259 HD22 0.17 0.06 0.02 -0.04 7.74 7.94 2dlcX1 VAL 260 H 0.10 0.15 0.26 -0.55 8.24 8.20 2dlcX1 VAL 260 HA -0.00 0.19 0.77 -0.75 4.13 4.33 2dlcX1 VAL 260 HB -0.02 -0.03 0.08 -0.04 2.12 2.11 2dlcX1 VAL 260 HG13 0.10 0.08 -0.09 -0.04 0.97 1.03 2dlcX1 VAL 260 HG23 0.03 0.01 -0.03 -0.04 0.95 0.92 2dlcX1 GLU 261 H 0.07 0.00 0.07 -0.55 8.60 8.20 2dlcX1 GLU 261 HA 0.04 0.14 0.48 -0.75 4.29 4.21 2dlcX1 GLU 261 HB2 0.05 -0.05 0.14 -0.04 2.09 2.19 2dlcX1 GLU 261 HB3 0.04 0.05 -0.05 -0.04 1.99 1.99 2dlcX1 GLU 261 HG2 0.03 0.02 0.02 -0.04 2.34 2.37 2dlcX1 GLU 261 HG3 0.03 0.04 0.06 -0.04 2.34 2.43 2dlcX1 GLU 262 H 0.11 0.05 -0.27 -0.55 8.60 7.95 2dlcX1 GLU 262 HA 0.05 0.20 0.76 -0.75 4.29 4.55 2dlcX1 GLU 262 HB2 0.14 -0.03 0.15 -0.04 2.09 2.31 2dlcX1 GLU 262 HB3 -0.07 0.04 0.05 -0.04 1.99 1.97 2dlcX1 GLU 262 HG2 -0.04 0.06 -0.05 -0.04 2.34 2.26 2dlcX1 GLU 262 HG3 0.03 -0.08 -0.43 -0.04 2.34 1.82 2dlcX1 ASN 263 H 0.07 0.28 -0.31 -0.55 8.53 8.03 2dlcX1 ASN 263 HA 0.12 0.22 0.72 -0.75 4.76 5.07 2dlcX1 ASN 263 HB2 -0.01 0.19 -0.30 -0.04 2.88 2.71 2dlcX1 ASN 263 HB3 -0.07 -0.03 0.12 -0.04 2.79 2.77 2dlcX1 ASN 263 HD21 -1.08 -0.04 0.01 -0.04 7.03 5.87 2dlcX1 ASN 263 HD22 -0.52 0.38 0.09 -0.04 7.74 7.65 2dlcX1 GLY 264 H 0.11 0.33 0.09 -0.55 8.43 8.41 2dlcX1 GLY 264 HA2 0.09 0.06 0.29 -0.51 4.01 3.95 2dlcX1 GLY 264 HA3 0.08 0.23 0.31 -0.51 4.01 4.13 2dlcX1 LEU 265 H 0.02 0.18 -0.15 -0.55 8.37 7.87 2dlcX1 LEU 265 HA 0.05 0.10 0.50 -0.75 4.35 4.25 2dlcX1 LEU 265 HB2 -0.08 -0.02 -0.01 -0.04 1.64 1.50 2dlcX1 LEU 265 HB3 -0.02 0.01 -0.04 -0.04 1.64 1.56 2dlcX1 LEU 265 HG -0.00 -0.03 0.03 -0.04 1.64 1.60 2dlcX1 LEU 265 HD13 -0.03 0.04 -0.09 -0.04 0.93 0.81 2dlcX1 LEU 265 HD23 -0.03 0.03 -0.02 -0.04 0.89 0.83 2dlcX1 LEU 266 H -0.09 0.15 -0.15 -0.55 8.37 7.73 2dlcX1 LEU 266 HA -0.05 0.03 0.47 -0.75 4.35 4.05 2dlcX1 LEU 266 HB2 -0.17 0.02 0.15 -0.04 1.64 1.61 2dlcX1 LEU 266 HB3 -0.02 0.08 -0.02 -0.04 1.64 1.64 2dlcX1 LEU 266 HG -0.52 0.03 0.02 -0.04 1.64 1.12 2dlcX1 LEU 266 HD13 -0.18 0.01 0.04 -0.04 0.93 0.76 2dlcX1 LEU 266 HD23 -0.24 -0.01 -0.04 -0.04 0.89 0.56 2dlcX1 SER 267 H 0.05 0.57 -0.11 -0.55 8.46 8.42 2dlcX1 SER 267 HA -0.12 0.02 0.44 -0.75 4.49 4.08 2dlcX1 SER 267 HB2 0.13 0.11 0.09 -0.04 3.95 4.24 2dlcX1 SER 267 HB3 0.24 0.00 0.07 -0.04 3.93 4.20 2dlcX1 PHE 268 H 0.21 0.36 -0.35 -0.55 8.34 8.01 2dlcX1 PHE 268 HA 0.09 0.04 0.48 -0.75 4.62 4.48 2dlcX1 PHE 268 HB2 0.06 0.15 0.13 -0.04 3.15 3.45 2dlcX1 PHE 268 HB3 0.03 0.12 0.17 -0.04 3.06 3.33 2dlcX1 PHE 268 HD2 0.08 0.03 -0.14 -0.04 7.28 7.21 2dlcX1 PHE 268 HE2 0.12 -0.03 -0.09 -0.04 7.38 7.33 2dlcX1 PHE 268 HZ 0.12 0.04 -0.03 -0.04 7.32 7.41 2dlcX1 VAL 269 H 0.14 0.53 -0.09 -0.55 8.24 8.27 2dlcX1 VAL 269 HA 0.01 -0.07 0.51 -0.75 4.13 3.82 2dlcX1 VAL 269 HB 0.09 0.18 0.17 -0.04 2.12 2.52 2dlcX1 VAL 269 HG13 -0.01 -0.02 -0.09 -0.04 0.97 0.81 2dlcX1 VAL 269 HG23 -0.21 0.07 0.05 -0.04 0.95 0.82 2dlcX1 GLN 270 H -0.20 0.56 -0.14 -0.55 8.47 8.14 2dlcX1 GLN 270 HA -1.25 -0.06 0.38 -0.75 4.36 2.68 2dlcX1 GLN 270 HB2 -0.72 0.02 0.10 -0.04 2.15 1.52 2dlcX1 GLN 270 HB3 -0.89 0.17 0.18 -0.04 2.02 1.44 2dlcX1 GLN 270 HG2 -1.23 0.05 -0.13 -0.04 2.40 1.05 2dlcX1 GLN 270 HG3 -1.32 -0.09 0.03 -0.04 2.39 0.97 2dlcX1 GLN 270 HE21 -0.12 -0.01 -0.01 -0.04 6.97 6.78 2dlcX1 GLN 270 HE22 -0.35 0.00 -0.02 -0.04 7.69 7.28 2dlcX1 TYR 271 H -0.23 0.42 -0.20 -0.55 8.29 7.73 2dlcX1 TYR 271 HA -0.17 0.18 0.62 -0.75 4.56 4.44 2dlcX1 TYR 271 HB2 -0.12 0.03 0.05 -0.04 3.06 2.98 2dlcX1 TYR 271 HB3 -0.10 -0.02 0.03 -0.04 2.98 2.86 2dlcX1 TYR 271 HD2 -0.08 0.06 -0.01 -0.04 7.15 7.08 2dlcX1 TYR 271 HE2 -0.05 -0.02 0.01 -0.04 6.85 6.74 2dlcX1 VAL 272 H -0.26 0.35 -0.04 -0.55 8.24 7.74 2dlcX1 VAL 272 HA -0.16 0.20 0.95 -0.75 4.13 4.37 2dlcX1 VAL 272 HB -1.28 0.12 0.16 -0.04 2.12 1.07 2dlcX1 VAL 272 HG13 -0.42 -0.01 -0.14 -0.04 0.97 0.36 2dlcX1 VAL 272 HG23 -0.29 -0.03 -0.10 -0.04 0.95 0.49 2dlcX1 ILE 273 H -0.23 0.24 0.19 -0.55 8.25 7.90 2dlcX1 ILE 273 HA -0.05 0.08 0.39 -0.75 4.18 3.84 2dlcX1 ILE 273 HB 0.05 0.04 0.23 -0.04 1.89 2.16 2dlcX1 ILE 273 HG12 0.14 0.01 -0.01 -0.04 1.49 1.59 2dlcX1 ILE 273 HG13 0.32 -0.03 0.01 -0.04 1.21 1.46 2dlcX1 ILE 273 HG23 0.18 -0.00 -0.11 -0.04 0.93 0.96 2dlcX1 ILE 273 HD13 0.24 0.01 -0.08 -0.04 0.88 1.01 2dlcX1 ALA 274 H 0.02 0.52 -0.04 -0.55 8.40 8.35 2dlcX1 ALA 274 HA 0.29 -0.02 0.36 -0.75 4.34 4.22 2dlcX1 ALA 274 HB3 0.05 0.03 0.07 -0.04 1.41 1.52 2dlcX1 PRO 275 HA -0.01 0.01 0.39 -0.51 4.44 4.33 2dlcX1 PRO 275 HB2 -0.04 0.10 -0.07 -0.04 2.28 2.23 2dlcX1 PRO 275 HB3 -0.04 0.02 0.01 -0.04 2.02 1.97 2dlcX1 PRO 275 HG2 -0.03 0.28 -0.11 -0.04 2.03 2.13 2dlcX1 PRO 275 HG3 -0.04 -0.02 0.00 -0.04 2.03 1.93 2dlcX1 PRO 275 HD2 -0.08 0.03 -0.74 -0.04 3.68 2.85 2dlcX1 PRO 275 HD3 -0.09 0.19 -0.10 -0.04 3.65 3.61 2dlcX1 ILE 276 H -0.05 0.49 -0.28 -0.55 8.25 7.86 2dlcX1 ILE 276 HA -0.03 0.08 0.48 -0.75 4.18 3.95 2dlcX1 ILE 276 HB -0.09 0.08 0.13 -0.04 1.89 1.97 2dlcX1 ILE 276 HG12 -0.08 0.00 0.00 -0.04 1.49 1.37 2dlcX1 ILE 276 HG13 -0.09 0.01 0.01 -0.04 1.21 1.09 2dlcX1 ILE 276 HG23 -0.07 -0.01 -0.15 -0.04 0.93 0.66 2dlcX1 ILE 276 HD13 -0.50 -0.04 -0.09 -0.04 0.88 0.20 2dlcX1 GLN 277 H 0.03 0.48 -0.11 -0.55 8.47 8.31 2dlcX1 GLN 277 HA -0.00 0.04 0.52 -0.75 4.36 4.17 2dlcX1 GLN 277 HB2 0.10 0.10 0.23 -0.04 2.15 2.53 2dlcX1 GLN 277 HB3 0.20 0.15 0.04 -0.04 2.02 2.37 2dlcX1 GLN 277 HG2 0.08 -0.03 0.03 -0.04 2.40 2.44 2dlcX1 GLN 277 HG3 0.03 0.02 0.01 -0.04 2.39 2.41 2dlcX1 GLN 277 HE21 -0.05 0.03 -0.12 -0.04 6.97 6.78 2dlcX1 GLN 277 HE22 0.03 0.02 -0.01 -0.04 7.69 7.68 2dlcX1 GLU 278 H 0.07 0.72 0.07 -0.55 8.60 8.93 2dlcX1 GLU 278 HA 0.08 0.06 0.39 -0.75 4.29 4.07 2dlcX1 GLU 278 HB2 0.04 0.06 0.05 -0.04 2.09 2.21 2dlcX1 GLU 278 HB3 0.02 0.14 -0.03 -0.04 1.99 2.08 2dlcX1 GLU 278 HG2 -0.06 -0.10 -0.15 -0.04 2.34 1.99 2dlcX1 GLU 278 HG3 -0.00 -0.00 -0.18 -0.04 2.34 2.11 2dlcX1 LEU 279 H 0.04 0.24 -0.81 -0.55 8.37 7.29 2dlcX1 LEU 279 HA 0.17 -0.00 0.44 -0.75 4.35 4.20 2dlcX1 LEU 279 HB2 0.01 0.14 0.15 -0.04 1.64 1.90 2dlcX1 LEU 279 HB3 0.00 0.05 0.12 -0.04 1.64 1.77 2dlcX1 LEU 279 HG 0.01 0.01 0.01 -0.04 1.64 1.63 2dlcX1 LEU 279 HD13 -0.02 -0.01 0.04 -0.04 0.93 0.89 2dlcX1 LEU 279 HD23 0.03 -0.02 0.00 -0.04 0.89 0.86 2dlcX1 LYS 280 H 0.02 0.63 -0.42 -0.55 8.42 8.10 2dlcX1 LYS 280 HA -0.04 0.04 0.68 -0.75 4.32 4.24 2dlcX1 LYS 280 HB2 -0.17 0.35 0.25 -0.04 1.87 2.26 2dlcX1 LYS 280 HB3 -0.09 -0.25 0.18 -0.04 1.79 1.60 2dlcX1 LYS 280 HG2 -0.12 -0.08 0.05 -0.04 1.46 1.26 2dlcX1 LYS 280 HG3 -0.12 0.05 0.09 -0.04 1.46 1.44 2dlcX1 LYS 280 HD2 -0.90 -0.02 0.05 -0.04 1.69 0.77 2dlcX1 LYS 280 HD3 -0.28 -0.09 0.02 -0.04 1.68 1.29 2dlcX1 LYS 280 HE2 -0.16 0.14 0.06 -0.04 2.99 2.98 2dlcX1 LYS 280 HE3 -0.32 -0.06 0.04 -0.04 2.99 2.60 2dlcX1 PHE 281 H 0.11 0.11 0.12 -0.55 8.34 8.13 2dlcX1 PHE 281 HA -0.01 0.40 0.00 -0.75 4.62 4.26 2dlcX1 PHE 281 HB2 -0.01 0.18 0.36 -0.04 3.15 3.63 2dlcX1 PHE 281 HB3 0.00 -0.15 0.02 -0.04 3.06 2.90 2dlcX1 PHE 281 HD2 -0.01 0.09 -0.08 -0.04 7.28 7.24 2dlcX1 PHE 281 HE2 -0.02 -0.01 -0.01 -0.04 7.38 7.29 2dlcX1 PHE 281 HZ -0.02 -0.01 -0.01 -0.04 7.32 7.25 2dlcX1 GLY 282 H -0.59 0.19 0.10 -0.55 8.43 7.58 2dlcX1 GLY 282 HA2 -0.25 0.01 0.40 -0.51 4.01 3.66 2dlcX1 GLY 282 HA3 -0.06 0.09 0.56 -0.51 4.01 4.09 2dlcX1 THR 283 H -0.08 0.15 0.13 -0.55 8.28 7.93 2dlcX1 THR 283 HA -0.00 0.17 0.53 -0.75 4.39 4.34 2dlcX1 THR 283 HB -0.01 -0.02 0.16 -0.04 4.32 4.41 2dlcX1 THR 283 HG23 -0.04 0.01 0.04 -0.04 1.22 1.19 2dlcX1 ASN 284 H 0.03 0.07 -0.90 -0.55 8.53 7.19 2dlcX1 ASN 284 HA 0.05 0.19 0.85 -0.75 4.76 5.09 2dlcX1 ASN 284 HB2 0.02 -0.09 -0.02 -0.04 2.88 2.75 2dlcX1 ASN 284 HB3 0.05 0.08 0.05 -0.04 2.79 2.93 2dlcX1 ASN 284 HD21 0.03 -0.03 0.04 -0.04 7.03 7.03 2dlcX1 ASN 284 HD22 0.04 0.02 0.04 -0.04 7.74 7.80 2dlcX1 HIS 285 H 0.16 0.33 -0.30 -0.55 8.41 8.06 2dlcX1 HIS 285 HA 0.09 0.16 0.77 -0.75 4.63 4.89 2dlcX1 HIS 285 HB2 0.06 0.03 -0.03 -0.04 3.26 3.29 2dlcX1 HIS 285 HB3 0.07 0.10 0.07 -0.04 3.20 3.39 2dlcX1 HIS 285 HD2 0.04 -0.00 0.00 -0.04 6.97 6.96 2dlcX1 HIS 285 HE1 -0.01 -0.02 -0.05 -0.04 7.75 7.63 2dlcX1 PHE 286 H 0.08 0.34 -0.14 -0.55 8.34 8.07 2dlcX1 PHE 286 HA 0.12 0.14 0.50 -0.75 4.62 4.63 2dlcX1 PHE 286 HB2 0.07 0.07 -0.10 -0.04 3.15 3.14 2dlcX1 PHE 286 HB3 0.06 0.09 -0.07 -0.04 3.06 3.09 2dlcX1 PHE 286 HD2 0.09 0.05 -0.38 -0.04 7.28 7.01 2dlcX1 PHE 286 HE2 0.08 0.02 -0.23 -0.04 7.38 7.22 2dlcX1 PHE 286 HZ -0.01 0.00 -0.14 -0.04 7.32 7.14 2dlcX1 GLU 287 H -0.19 0.25 -0.11 -0.55 8.60 8.00 2dlcX1 GLU 287 HA -0.01 0.33 0.81 -0.75 4.29 4.67 2dlcX1 GLU 287 HB2 -0.03 0.00 0.09 -0.04 2.09 2.11 2dlcX1 GLU 287 HB3 -0.04 -0.02 -0.04 -0.04 1.99 1.84 2dlcX1 GLU 287 HG2 -0.34 -0.01 -0.67 -0.04 2.34 1.28 2dlcX1 GLU 287 HG3 -0.63 0.03 -0.14 -0.04 2.34 1.56 2dlcX1 PHE 288 H 0.11 0.59 0.04 -0.55 8.34 8.53 2dlcX1 PHE 288 HA -0.07 0.21 0.99 -0.75 4.62 4.99 2dlcX1 PHE 288 HB2 -0.35 -0.03 -0.08 -0.04 3.15 2.65 2dlcX1 PHE 288 HB3 0.19 -0.10 0.10 -0.04 3.06 3.21 2dlcX1 PHE 288 HD2 0.00 -0.02 -0.13 -0.04 7.28 7.09 2dlcX1 PHE 288 HE2 0.06 -0.04 -0.10 -0.04 7.38 7.26 2dlcX1 PHE 288 HZ 0.08 -0.03 -0.31 -0.04 7.32 7.01 2dlcX1 PHE 289 H -0.11 0.24 0.07 -0.55 8.34 7.99 2dlcX1 PHE 289 HA -0.08 0.12 0.69 -0.75 4.62 4.59 2dlcX1 PHE 289 HB2 -0.11 0.02 0.00 -0.04 3.15 3.02 2dlcX1 PHE 289 HB3 -0.19 0.02 0.10 -0.04 3.06 2.95 2dlcX1 PHE 289 HD2 -0.09 -0.00 -0.15 -0.04 7.28 7.00 2dlcX1 PHE 289 HE2 -0.04 -0.00 -0.12 -0.04 7.38 7.17 2dlcX1 PHE 289 HZ -0.03 0.01 -0.09 -0.04 7.32 7.16 2dlcX1 ILE 290 H -0.48 0.63 0.32 -0.55 8.25 8.17 2dlcX1 ILE 290 HA -0.36 0.09 0.83 -0.75 4.18 3.99 2dlcX1 ILE 290 HB -0.05 0.08 0.19 -0.04 1.89 2.08 2dlcX1 ILE 290 HG12 0.15 -0.06 0.03 -0.04 1.49 1.57 2dlcX1 ILE 290 HG13 0.12 0.05 -0.47 -0.04 1.21 0.88 2dlcX1 ILE 290 HG23 -0.03 -0.02 -0.14 -0.04 0.93 0.70 2dlcX1 ILE 290 HD13 0.45 -0.01 -0.11 -0.04 0.88 1.17 2dlcX1 ASP 291 H -0.40 0.19 -0.06 -0.55 8.40 7.59 2dlcX1 ASP 291 HA -0.41 0.09 0.47 -0.75 4.63 4.03 2dlcX1 ASP 291 HB2 -0.07 0.00 0.04 -0.04 2.71 2.64 2dlcX1 ASP 291 HB3 -0.06 0.00 0.14 -0.04 2.70 2.74 2dlcX1 ARG 292 H -0.18 0.44 0.02 -0.55 8.46 8.19 2dlcX1 ARG 292 HA -0.00 0.01 0.35 -0.75 4.34 3.95 2dlcX1 ARG 292 HB2 -0.03 -0.13 -0.02 -0.04 1.90 1.68 2dlcX1 ARG 292 HB3 -0.02 0.23 -0.23 -0.04 1.80 1.74 2dlcX1 ARG 292 HG2 0.09 0.35 -0.36 -0.04 1.67 1.71 2dlcX1 ARG 292 HG3 0.08 -0.17 -0.02 -0.04 1.67 1.51 2dlcX1 ARG 292 HD2 0.09 0.09 0.02 -0.04 3.22 3.37 2dlcX1 ARG 292 HD3 0.05 -0.21 -0.02 -0.04 3.22 3.00 2dlcX1 PRO 293 HA 0.04 0.03 0.49 -0.51 4.44 4.49 2dlcX1 PRO 293 HB2 0.18 -0.09 0.03 -0.04 2.28 2.36 2dlcX1 PRO 293 HB3 0.08 0.01 0.10 -0.04 2.02 2.16 2dlcX1 PRO 293 HG2 0.18 0.01 0.07 -0.04 2.03 2.25 2dlcX1 PRO 293 HG3 0.08 0.09 0.09 -0.04 2.03 2.24 2dlcX1 PRO 293 HD2 0.17 0.07 0.16 -0.04 3.68 4.04 2dlcX1 PRO 293 HD3 0.05 0.17 0.23 -0.04 3.65 4.05 2dlcX1 GLU 294 H -0.00 0.09 0.13 -0.55 8.60 8.28 2dlcX1 GLU 294 HA -0.01 0.17 -0.02 -0.75 4.29 3.68 2dlcX1 GLU 294 HB2 -0.04 -0.05 0.06 -0.04 2.09 2.02 2dlcX1 GLU 294 HB3 -0.03 0.00 -0.02 -0.04 1.99 1.90 2dlcX1 GLU 294 HG2 -0.00 0.00 0.10 -0.04 2.34 2.40 2dlcX1 GLU 294 HG3 -0.01 -0.01 0.03 -0.04 2.34 2.31 2dlcX1 LYS 295 H -0.13 -0.01 -0.43 -0.55 8.42 7.29 2dlcX1 LYS 295 HA -0.25 0.03 0.34 -0.75 4.32 3.69 2dlcX1 LYS 295 HB2 -0.31 -0.06 0.05 -0.04 1.87 1.52 2dlcX1 LYS 295 HB3 -0.91 0.03 -0.02 -0.04 1.79 0.84 2dlcX1 LYS 295 HG2 -1.04 0.01 -0.07 -0.04 1.46 0.32 2dlcX1 LYS 295 HG3 -0.51 0.03 0.06 -0.04 1.46 0.99 2dlcX1 LYS 295 HD2 -0.20 -0.03 0.01 -0.04 1.69 1.42 2dlcX1 LYS 295 HD3 -0.20 -0.00 -0.00 -0.04 1.68 1.43 2dlcX1 LYS 295 HE2 -0.19 0.03 0.04 -0.04 2.99 2.83 2dlcX1 LYS 295 HE3 -0.13 -0.02 0.00 -0.04 2.99 2.81 2dlcX1 PHE 296 H -0.05 0.51 -0.26 -0.55 8.34 7.99 2dlcX1 PHE 296 HA -0.01 0.12 0.81 -0.75 4.62 4.79 2dlcX1 PHE 296 HB2 -0.01 0.06 0.11 -0.04 3.15 3.27 2dlcX1 PHE 296 HB3 -0.01 -0.02 0.16 -0.04 3.06 3.15 2dlcX1 PHE 296 HD2 -0.01 0.07 -0.02 -0.04 7.28 7.28 2dlcX1 PHE 296 HE2 -0.01 -0.01 -0.03 -0.04 7.38 7.29 2dlcX1 PHE 296 HZ -0.01 -0.01 -0.03 -0.04 7.32 7.23 2dlcX1 GLY 297 H -0.01 0.26 -0.40 -0.55 8.43 7.74 2dlcX1 GLY 297 HA2 0.01 -0.08 0.33 -0.51 4.01 3.76 2dlcX1 GLY 297 HA3 0.04 0.13 0.70 -0.51 4.01 4.37 2dlcX1 GLY 298 H 0.00 0.01 0.07 -0.55 8.43 7.96 2dlcX1 GLY 298 HA2 0.00 0.03 0.30 -0.51 4.01 3.83 2dlcX1 GLY 298 HA3 0.00 -0.02 0.34 -0.51 4.01 3.82 2dlcX1 PRO 299 HA -0.12 0.03 0.74 -0.51 4.44 4.57 2dlcX1 PRO 299 HB2 0.12 -0.04 -0.03 -0.04 2.28 2.29 2dlcX1 PRO 299 HB3 0.01 0.00 0.08 -0.04 2.02 2.07 2dlcX1 PRO 299 HG2 0.10 -0.02 0.06 -0.04 2.03 2.13 2dlcX1 PRO 299 HG3 0.04 0.07 0.06 -0.04 2.03 2.16 2dlcX1 PRO 299 HD2 0.03 0.02 0.21 -0.04 3.68 3.89 2dlcX1 PRO 299 HD3 0.02 0.14 0.16 -0.04 3.65 3.92 2dlcX1 ILE 300 H -0.21 0.43 0.34 -0.55 8.25 8.26 2dlcX1 ILE 300 HA -0.10 0.10 0.65 -0.75 4.18 4.08 2dlcX1 ILE 300 HB -0.13 0.16 -0.20 -0.04 1.89 1.69 2dlcX1 ILE 300 HG12 -0.87 -0.08 -0.25 -0.04 1.49 0.26 2dlcX1 ILE 300 HG13 -0.27 -0.04 0.01 -0.04 1.21 0.87 2dlcX1 ILE 300 HG23 -0.17 -0.01 -0.02 -0.04 0.93 0.69 2dlcX1 ILE 300 HD13 -0.16 0.00 -0.07 -0.04 0.88 0.62 2dlcX1 THR 301 H -0.09 0.22 0.07 -0.55 8.28 7.93 2dlcX1 THR 301 HA 0.02 0.39 0.94 -0.75 4.39 4.98 2dlcX1 THR 301 HB 0.03 -0.01 0.05 -0.04 4.32 4.35 2dlcX1 THR 301 HG23 0.07 0.01 -0.39 -0.04 1.22 0.87 2dlcX1 TYR 302 H 0.22 0.53 0.15 -0.55 8.29 8.64 2dlcX1 TYR 302 HA 0.11 0.07 0.65 -0.75 4.56 4.65 2dlcX1 TYR 302 HB2 0.31 0.02 0.10 -0.04 3.06 3.45 2dlcX1 TYR 302 HB3 0.20 -0.04 0.02 -0.04 2.98 3.11 2dlcX1 TYR 302 HD2 0.14 0.01 -0.07 -0.04 7.15 7.19 2dlcX1 TYR 302 HE2 0.06 0.02 -0.09 -0.04 6.85 6.80 2dlcX1 LYS 303 H 0.23 0.07 0.19 -0.55 8.42 8.36 2dlcX1 LYS 303 HA 0.19 0.40 0.76 -0.75 4.32 4.91 2dlcX1 LYS 303 HB2 0.10 -0.07 0.11 -0.04 1.87 1.96 2dlcX1 LYS 303 HB3 0.08 0.03 0.13 -0.04 1.79 1.99 2dlcX1 LYS 303 HG2 0.03 0.01 0.01 -0.04 1.46 1.47 2dlcX1 LYS 303 HG3 0.06 0.03 -0.18 -0.04 1.46 1.33 2dlcX1 LYS 303 HD2 0.03 0.11 0.01 -0.04 1.69 1.80 2dlcX1 LYS 303 HD3 0.06 -0.08 0.08 -0.04 1.68 1.70 2dlcX1 LYS 303 HE2 0.02 0.01 0.01 -0.04 2.99 2.99 2dlcX1 LYS 303 HE3 0.02 -0.00 0.01 -0.04 2.99 2.98 2dlcX1 SER 304 H 0.24 0.06 0.03 -0.55 8.46 8.25 2dlcX1 SER 304 HA -0.00 0.25 0.47 -0.75 4.49 4.45 2dlcX1 SER 304 HB2 -0.05 0.05 0.15 -0.04 3.95 4.05 2dlcX1 SER 304 HB3 0.03 0.19 -0.09 -0.04 3.93 4.01 2dlcX1 PHE 305 H -0.66 0.30 0.10 -0.55 8.34 7.53 2dlcX1 PHE 305 HA -0.78 0.11 0.41 -0.75 4.62 3.60 2dlcX1 PHE 305 HB2 -1.06 0.11 0.06 -0.04 3.15 2.22 2dlcX1 PHE 305 HB3 -0.50 0.02 0.11 -0.04 3.06 2.65 2dlcX1 PHE 305 HD2 -0.24 -0.01 -0.13 -0.04 7.28 6.86 2dlcX1 PHE 305 HE2 -0.20 0.08 -0.03 -0.04 7.38 7.20 2dlcX1 PHE 305 HZ -0.21 0.03 -0.09 -0.04 7.32 7.02 2dlcX1 GLU 306 H -0.14 0.16 -0.09 -0.55 8.60 7.98 2dlcX1 GLU 306 HA -0.31 0.11 0.37 -0.75 4.29 3.72 2dlcX1 GLU 306 HB2 -0.07 -0.01 0.04 -0.04 2.09 2.01 2dlcX1 GLU 306 HB3 -0.08 0.06 0.00 -0.04 1.99 1.93 2dlcX1 GLU 306 HG2 0.02 -0.04 0.05 -0.04 2.34 2.33 2dlcX1 GLU 306 HG3 -0.02 0.07 0.02 -0.04 2.34 2.37 2dlcX1 GLU 307 H -0.13 0.09 -0.36 -0.55 8.60 7.65 2dlcX1 GLU 307 HA -0.06 0.10 0.49 -0.75 4.29 4.07 2dlcX1 GLU 307 HB2 0.02 0.01 0.07 -0.04 2.09 2.15 2dlcX1 GLU 307 HB3 0.07 0.05 0.11 -0.04 1.99 2.19 2dlcX1 GLU 307 HG2 0.18 0.01 -0.12 -0.04 2.34 2.37 2dlcX1 GLU 307 HG3 0.08 0.04 0.02 -0.04 2.34 2.44 2dlcX1 MET 308 H -0.28 0.37 -0.14 -0.55 8.47 7.88 2dlcX1 MET 308 HA -1.09 0.04 0.44 -0.75 4.52 3.15 2dlcX1 MET 308 HB2 -0.21 -0.01 0.10 -0.04 2.15 1.99 2dlcX1 MET 308 HB3 -0.50 0.15 0.14 -0.04 2.03 1.78 2dlcX1 MET 308 HG2 -0.40 -0.00 -0.11 -0.04 2.63 2.08 2dlcX1 MET 308 HG3 -0.79 -0.01 0.01 -0.04 2.56 1.73 2dlcX1 MET 308 HE3 -0.36 0.00 -0.06 -0.04 2.10 1.64 2dlcX1 LYS 309 H -0.63 0.57 -0.11 -0.55 8.42 7.70 2dlcX1 LYS 309 HA -0.37 0.04 0.47 -0.75 4.32 3.70 2dlcX1 LYS 309 HB2 -1.02 0.06 0.07 -0.04 1.87 0.94 2dlcX1 LYS 309 HB3 -0.37 0.08 0.14 -0.04 1.79 1.61 2dlcX1 LYS 309 HG2 -0.14 -0.02 -0.11 -0.04 1.46 1.16 2dlcX1 LYS 309 HG3 -0.21 -0.02 0.04 -0.04 1.46 1.23 2dlcX1 LYS 309 HD2 -0.03 0.01 -0.04 -0.04 1.69 1.59 2dlcX1 LYS 309 HD3 -0.07 -0.02 -0.03 -0.04 1.68 1.52 2dlcX1 LYS 309 HE2 0.00 -0.01 -0.04 -0.04 2.99 2.90 2dlcX1 LYS 309 HE3 -0.01 -0.02 -0.05 -0.04 2.99 2.87 2dlcX1 LEU 310 H -0.20 0.58 -0.12 -0.55 8.37 8.09 2dlcX1 LEU 310 HA -0.06 0.01 0.46 -0.75 4.35 4.01 2dlcX1 LEU 310 HB2 -0.08 0.15 0.17 -0.04 1.64 1.84 2dlcX1 LEU 310 HB3 -0.05 0.05 0.07 -0.04 1.64 1.66 2dlcX1 LEU 310 HG -0.03 -0.04 0.07 -0.04 1.64 1.60 2dlcX1 LEU 310 HD13 -0.03 -0.01 0.01 -0.04 0.93 0.86 2dlcX1 LEU 310 HD23 -0.02 -0.00 -0.03 -0.04 0.89 0.80 2dlcX1 ALA 311 H -0.14 0.51 -0.25 -0.55 8.40 7.98 2dlcX1 ALA 311 HA 0.01 0.04 0.44 -0.75 4.34 4.07 2dlcX1 ALA 311 HB3 -0.03 0.05 0.06 -0.04 1.41 1.45 2dlcX1 PHE 312 H 0.02 0.41 -0.26 -0.55 8.34 7.96 2dlcX1 PHE 312 HA -0.07 0.12 0.57 -0.75 4.62 4.48 2dlcX1 PHE 312 HB2 -0.15 0.05 0.12 -0.04 3.15 3.13 2dlcX1 PHE 312 HB3 -0.12 0.08 0.07 -0.04 3.06 3.04 2dlcX1 PHE 312 HD2 -0.06 -0.01 -0.32 -0.04 7.28 6.84 2dlcX1 PHE 312 HE2 -0.05 0.11 -0.25 -0.04 7.38 7.15 2dlcX1 PHE 312 HZ -0.07 -0.01 -0.16 -0.04 7.32 7.03 2dlcX1 LYS 313 H 0.05 0.49 0.01 -0.55 8.42 8.41 2dlcX1 LYS 313 HA 0.03 0.21 0.56 -0.75 4.32 4.36 2dlcX1 LYS 313 HB2 0.01 0.03 0.16 -0.04 1.87 2.04 2dlcX1 LYS 313 HB3 -0.01 0.01 0.11 -0.04 1.79 1.86 2dlcX1 LYS 313 HG2 0.01 0.08 0.16 -0.04 1.46 1.67 2dlcX1 LYS 313 HG3 0.01 -0.09 0.07 -0.04 1.46 1.42 2dlcX1 LYS 313 HD2 -0.01 -0.02 -0.03 -0.04 1.69 1.59 2dlcX1 LYS 313 HD3 -0.01 0.02 -0.12 -0.04 1.68 1.54 2dlcX1 LYS 313 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.92 2dlcX1 LYS 313 HE3 0.00 -0.00 0.01 -0.04 2.99 2.96 2dlcX1 GLU 314 H -0.03 0.57 -0.17 -0.55 8.60 8.42 2dlcX1 GLU 314 HA -0.04 0.07 0.54 -0.75 4.29 4.11 2dlcX1 GLU 314 HB2 -0.02 0.06 0.09 -0.04 2.09 2.18 2dlcX1 GLU 314 HB3 -0.02 -0.04 0.11 -0.04 1.99 2.00 2dlcX1 GLU 314 HG2 -0.02 -0.03 0.02 -0.04 2.34 2.27 2dlcX1 GLU 314 HG3 -0.02 0.03 0.06 -0.04 2.34 2.37 2dlcX1 GLU 315 H -0.14 0.29 -0.85 -0.55 8.60 7.36 2dlcX1 GLU 315 HA -0.27 0.09 0.28 -0.75 4.29 3.64 2dlcX1 GLU 315 HB2 -0.09 0.08 -0.31 -0.04 2.09 1.73 2dlcX1 GLU 315 HB3 -0.11 -0.06 0.20 -0.04 1.99 1.97 2dlcX1 GLU 315 HG2 -0.23 -0.10 -0.03 -0.04 2.34 1.94 2dlcX1 GLU 315 HG3 -0.19 0.11 -0.11 -0.04 2.34 2.10 2dlcX1 LYS 316 H -0.06 0.62 -0.01 -0.55 8.42 8.41 2dlcX1 LYS 316 HA -0.02 0.15 0.76 -0.75 4.32 4.46 2dlcX1 LYS 316 HB2 0.02 0.04 0.10 -0.04 1.87 1.99 2dlcX1 LYS 316 HB3 0.06 -0.06 -0.05 -0.04 1.79 1.69 2dlcX1 LYS 316 HG2 0.01 0.01 0.04 -0.04 1.46 1.47 2dlcX1 LYS 316 HG3 -0.00 0.08 -0.10 -0.04 1.46 1.40 2dlcX1 LYS 316 HD2 0.05 -0.04 -0.02 -0.04 1.69 1.63 2dlcX1 LYS 316 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 2dlcX1 LYS 316 HE2 0.02 -0.05 -0.02 -0.04 2.99 2.90 2dlcX1 LYS 316 HE3 0.01 0.05 -0.03 -0.04 2.99 2.98 2dlcX1 LEU 317 H -0.04 0.31 -0.14 -0.55 8.37 7.95 2dlcX1 LEU 317 HA 0.07 0.15 0.80 -0.75 4.35 4.62 2dlcX1 LEU 317 HB2 0.18 -0.02 -0.12 -0.04 1.64 1.64 2dlcX1 LEU 317 HB3 0.15 -0.05 -0.12 -0.04 1.64 1.58 2dlcX1 LEU 317 HG 0.27 0.08 -0.26 -0.04 1.64 1.68 2dlcX1 LEU 317 HD13 0.24 -0.01 -0.10 -0.04 0.93 1.03 2dlcX1 LEU 317 HD23 0.04 -0.01 -0.07 -0.04 0.89 0.81 2dlcX1 SER 318 H -0.01 0.15 0.05 -0.55 8.46 8.10 2dlcX1 SER 318 HA -0.21 0.21 0.54 -0.75 4.49 4.27 2dlcX1 SER 318 HB2 -0.14 0.06 0.11 -0.04 3.95 3.94 2dlcX1 SER 318 HB3 -0.12 0.13 0.04 -0.04 3.93 3.93 2dlcX1 PRO 319 HA 0.30 0.04 0.50 -0.51 4.44 4.77 2dlcX1 PRO 319 HB2 -0.01 0.05 0.11 -0.04 2.28 2.38 2dlcX1 PRO 319 HB3 0.06 0.09 0.05 -0.04 2.02 2.19 2dlcX1 PRO 319 HG2 -0.05 0.10 0.05 -0.04 2.03 2.08 2dlcX1 PRO 319 HG3 0.15 0.02 -0.20 -0.04 2.03 1.97 2dlcX1 PRO 319 HD2 -0.12 0.11 0.23 -0.04 3.68 3.86 2dlcX1 PRO 319 HD3 -0.29 0.16 0.20 -0.04 3.65 3.68 2dlcX1 PRO 320 HA -0.02 0.12 0.43 -0.51 4.44 4.46 2dlcX1 PRO 320 HB2 -0.10 0.04 -0.06 -0.04 2.28 2.11 2dlcX1 PRO 320 HB3 -0.08 0.08 0.08 -0.04 2.02 2.06 2dlcX1 PRO 320 HG2 -0.19 -0.01 0.01 -0.04 2.03 1.80 2dlcX1 PRO 320 HG3 -0.18 0.09 0.05 -0.04 2.03 1.95 2dlcX1 PRO 320 HD2 -0.08 0.04 0.03 -0.04 3.68 3.62 2dlcX1 PRO 320 HD3 -0.07 0.20 0.12 -0.04 3.65 3.85 2dlcX1 ASP 321 H -0.03 0.16 -0.35 -0.55 8.40 7.63 2dlcX1 ASP 321 HA 0.00 0.07 0.47 -0.75 4.63 4.42 2dlcX1 ASP 321 HB2 0.04 0.08 0.10 -0.04 2.71 2.88 2dlcX1 ASP 321 HB3 0.05 0.01 -0.02 -0.04 2.70 2.70 2dlcX1 LEU 322 H 0.11 0.53 -0.15 -0.55 8.37 8.31 2dlcX1 LEU 322 HA 0.13 -0.00 0.42 -0.75 4.35 4.14 2dlcX1 LEU 322 HB2 0.15 0.05 0.00 -0.04 1.64 1.81 2dlcX1 LEU 322 HB3 0.07 0.21 0.10 -0.04 1.64 1.98 2dlcX1 LEU 322 HG -0.02 -0.05 -0.17 -0.04 1.64 1.35 2dlcX1 LEU 322 HD13 -0.08 -0.01 -0.07 -0.04 0.93 0.74 2dlcX1 LEU 322 HD23 -0.40 -0.01 -0.08 -0.04 0.89 0.36 2dlcX1 LYS 323 H 0.04 0.43 -0.30 -0.55 8.42 8.03 2dlcX1 LYS 323 HA 0.02 0.01 0.37 -0.75 4.32 3.96 2dlcX1 LYS 323 HB2 0.00 0.13 0.09 -0.04 1.87 2.05 2dlcX1 LYS 323 HB3 -0.00 -0.04 -0.07 -0.04 1.79 1.64 2dlcX1 LYS 323 HG2 0.01 0.05 0.01 -0.04 1.46 1.48 2dlcX1 LYS 323 HG3 -0.00 -0.09 -0.10 -0.04 1.46 1.23 2dlcX1 LYS 323 HD2 -0.01 -0.03 -0.09 -0.04 1.69 1.52 2dlcX1 LYS 323 HD3 -0.01 -0.05 -0.15 -0.04 1.68 1.44 2dlcX1 LYS 323 HE2 -0.01 -0.03 -0.12 -0.04 2.99 2.78 2dlcX1 LYS 323 HE3 -0.01 -0.13 -0.12 -0.04 2.99 2.69 2dlcX1 ILE 324 H 0.02 0.42 -0.21 -0.55 8.25 7.93 2dlcX1 ILE 324 HA 0.00 0.02 0.42 -0.75 4.18 3.88 2dlcX1 ILE 324 HB -0.01 0.15 0.13 -0.04 1.89 2.12 2dlcX1 ILE 324 HG12 0.00 -0.05 0.03 -0.04 1.49 1.43 2dlcX1 ILE 324 HG13 -0.00 0.10 0.08 -0.04 1.21 1.35 2dlcX1 ILE 324 HG23 -0.04 0.01 -0.13 -0.04 0.93 0.73 2dlcX1 ILE 324 HD13 -0.00 -0.00 -0.04 -0.04 0.88 0.80 2dlcX1 GLY 325 H 0.06 0.45 -0.16 -0.55 8.43 8.23 2dlcX1 GLY 325 HA2 -0.10 0.03 0.43 -0.51 4.01 3.86 2dlcX1 GLY 325 HA3 0.13 0.08 0.31 -0.51 4.01 4.02 2dlcX1 VAL 326 H 0.16 0.50 -0.19 -0.55 8.24 8.16 2dlcX1 VAL 326 HA 0.39 0.03 0.47 -0.75 4.13 4.27 2dlcX1 VAL 326 HB 0.05 0.10 0.11 -0.04 2.12 2.33 2dlcX1 VAL 326 HG13 -0.06 -0.02 -0.06 -0.04 0.97 0.79 2dlcX1 VAL 326 HG23 0.13 0.02 -0.01 -0.04 0.95 1.05 2dlcX1 ALA 327 H 0.03 0.58 -0.12 -0.55 8.40 8.35 2dlcX1 ALA 327 HA -0.01 0.00 0.39 -0.75 4.34 3.96 2dlcX1 ALA 327 HB3 0.00 0.02 0.06 -0.04 1.41 1.46 2dlcX1 ASP 328 H 0.01 0.51 -0.16 -0.55 8.40 8.21 2dlcX1 ASP 328 HA 0.01 0.01 0.46 -0.75 4.63 4.36 2dlcX1 ASP 328 HB2 -0.03 0.13 0.15 -0.04 2.71 2.92 2dlcX1 ASP 328 HB3 0.02 -0.03 0.01 -0.04 2.70 2.65 2dlcX1 ALA 329 H 0.02 0.45 -0.17 -0.55 8.40 8.15 2dlcX1 ALA 329 HA 0.00 0.05 0.50 -0.75 4.34 4.14 2dlcX1 ALA 329 HB3 0.10 0.02 0.13 -0.04 1.41 1.63 2dlcX1 ILE 330 H 0.06 0.68 -0.04 -0.55 8.25 8.40 2dlcX1 ILE 330 HA 0.11 0.03 0.49 -0.75 4.18 4.06 2dlcX1 ILE 330 HB -0.02 0.10 0.14 -0.04 1.89 2.06 2dlcX1 ILE 330 HG12 -0.11 -0.04 0.01 -0.04 1.49 1.31 2dlcX1 ILE 330 HG13 -0.07 0.09 0.06 -0.04 1.21 1.25 2dlcX1 ILE 330 HG23 0.03 -0.02 -0.14 -0.04 0.93 0.75 2dlcX1 ILE 330 HD13 -0.59 -0.03 -0.07 -0.04 0.88 0.14 2dlcX1 ASN 331 H 0.03 0.54 -0.22 -0.55 8.53 8.33 2dlcX1 ASN 331 HA 0.04 -0.01 0.40 -0.75 4.76 4.44 2dlcX1 ASN 331 HB2 0.02 0.14 0.20 -0.04 2.88 3.20 2dlcX1 ASN 331 HB3 0.02 -0.05 0.01 -0.04 2.79 2.72 2dlcX1 ASN 331 HD21 0.01 -0.04 0.03 -0.04 7.03 6.99 2dlcX1 ASN 331 HD22 0.01 -0.00 -0.06 -0.04 7.74 7.65 2dlcX1 GLU 332 H 0.03 0.47 -0.21 -0.55 8.60 8.34 2dlcX1 GLU 332 HA 0.02 -0.02 0.52 -0.75 4.29 4.06 2dlcX1 GLU 332 HB2 0.01 0.09 0.28 -0.04 2.09 2.44 2dlcX1 GLU 332 HB3 0.01 0.03 0.01 -0.04 1.99 1.99 2dlcX1 GLU 332 HG2 -0.00 -0.04 0.07 -0.04 2.34 2.33 2dlcX1 GLU 332 HG3 0.00 0.00 0.06 -0.04 2.34 2.36 2dlcX1 LEU 333 H 0.04 0.44 -0.12 -0.55 8.37 8.18 2dlcX1 LEU 333 HA 0.02 0.09 0.36 -0.75 4.35 4.06 2dlcX1 LEU 333 HB2 0.05 0.06 0.14 -0.04 1.64 1.85 2dlcX1 LEU 333 HB3 -0.15 -0.04 0.02 -0.04 1.64 1.43 2dlcX1 LEU 333 HG -0.02 0.22 0.08 -0.04 1.64 1.87 2dlcX1 LEU 333 HD13 -0.40 -0.04 -0.05 -0.04 0.93 0.40 2dlcX1 LEU 333 HD23 -0.16 -0.00 -0.03 -0.04 0.89 0.66 2dlcX1 LEU 334 H 0.10 0.42 -0.19 -0.55 8.37 8.15 2dlcX1 LEU 334 HA 0.17 0.06 0.47 -0.75 4.35 4.30 2dlcX1 LEU 334 HB2 0.09 0.12 0.10 -0.04 1.64 1.91 2dlcX1 LEU 334 HB3 0.06 -0.04 -0.07 -0.04 1.64 1.55 2dlcX1 LEU 334 HG 0.08 0.20 -0.06 -0.04 1.64 1.82 2dlcX1 LEU 334 HD13 0.28 -0.01 -0.07 -0.04 0.93 1.09 2dlcX1 LEU 334 HD23 0.07 0.04 -0.12 -0.04 0.89 0.84 2dlcX1 GLU 335 H 0.06 0.42 -0.23 -0.55 8.60 8.31 2dlcX1 GLU 335 HA 0.05 -0.07 0.35 -0.75 4.29 3.86 2dlcX1 GLU 335 HB2 0.04 0.19 0.21 -0.04 2.09 2.48 2dlcX1 GLU 335 HB3 0.04 0.15 0.15 -0.04 1.99 2.29 2dlcX1 GLU 335 HG2 0.03 -0.09 -0.06 -0.04 2.34 2.19 2dlcX1 GLU 335 HG3 0.03 -0.06 0.04 -0.04 2.34 2.31 2dlcX1 PRO 336 HA 0.06 -0.00 0.54 -0.51 4.44 4.52 2dlcX1 PRO 336 HB2 0.06 0.04 0.00 -0.04 2.28 2.34 2dlcX1 PRO 336 HB3 0.04 0.01 0.12 -0.04 2.02 2.15 2dlcX1 PRO 336 HG2 0.09 0.12 0.08 -0.04 2.03 2.27 2dlcX1 PRO 336 HG3 0.05 0.13 0.12 -0.04 2.03 2.29 2dlcX1 PRO 336 HD2 0.07 0.18 -0.33 -0.04 3.68 3.57 2dlcX1 PRO 336 HD3 0.05 0.12 0.13 -0.04 3.65 3.90 2dlcX1 ILE 337 H 0.10 0.37 -0.24 -0.55 8.25 7.92 2dlcX1 ILE 337 HA 0.12 0.02 0.55 -0.75 4.18 4.11 2dlcX1 ILE 337 HB 0.08 0.22 0.19 -0.04 1.89 2.34 2dlcX1 ILE 337 HG12 0.07 -0.09 -0.21 -0.04 1.49 1.22 2dlcX1 ILE 337 HG13 0.12 -0.00 -0.02 -0.04 1.21 1.27 2dlcX1 ILE 337 HG23 0.07 -0.05 -0.08 -0.04 0.93 0.82 2dlcX1 ILE 337 HD13 0.19 0.00 0.02 -0.04 0.88 1.05 2dlcX1 ARG 338 H 0.07 0.77 0.06 -0.55 8.46 8.81 2dlcX1 ARG 338 HA 0.04 -0.02 0.47 -0.75 4.34 4.08 2dlcX1 ARG 338 HB2 0.05 0.20 0.16 -0.04 1.90 2.27 2dlcX1 ARG 338 HB3 0.05 -0.09 -0.04 -0.04 1.80 1.68 2dlcX1 ARG 338 HG2 -0.02 -0.06 -0.03 -0.04 1.67 1.52 2dlcX1 ARG 338 HG3 0.02 0.14 -0.07 -0.04 1.67 1.73 2dlcX1 ARG 338 HD2 0.03 -0.03 -0.06 -0.04 3.22 3.12 2dlcX1 ARG 338 HD3 0.01 -0.09 -0.08 -0.04 3.22 3.01 2dlcX1 GLN 339 H 0.08 0.51 -0.21 -0.55 8.47 8.30 2dlcX1 GLN 339 HA 0.07 -0.01 0.39 -0.75 4.36 4.05 2dlcX1 GLN 339 HB2 0.05 0.12 0.12 -0.04 2.15 2.40 2dlcX1 GLN 339 HB3 0.06 0.11 0.10 -0.04 2.02 2.25 2dlcX1 GLN 339 HG2 0.03 -0.00 -0.01 -0.04 2.40 2.38 2dlcX1 GLN 339 HG3 0.04 -0.03 -0.07 -0.04 2.39 2.30 2dlcX1 GLN 339 HE21 0.03 -0.04 -0.01 -0.04 6.97 6.90 2dlcX1 GLN 339 HE22 0.03 0.04 -0.01 -0.04 7.69 7.70 2dlcX1 GLU 340 H 0.12 0.49 -0.20 -0.55 8.60 8.46 2dlcX1 GLU 340 HA 0.10 0.01 0.52 -0.75 4.29 4.17 2dlcX1 GLU 340 HB2 0.13 0.26 0.24 -0.04 2.09 2.67 2dlcX1 GLU 340 HB3 0.25 0.00 0.01 -0.04 1.99 2.21 2dlcX1 GLU 340 HG2 0.07 -0.02 0.05 -0.04 2.34 2.40 2dlcX1 GLU 340 HG3 0.06 0.04 0.03 -0.04 2.34 2.43 2dlcX1 PHE 341 H 0.26 0.51 -0.23 -0.55 8.34 8.33 2dlcX1 PHE 341 HA -0.05 -0.03 0.47 -0.75 4.62 4.26 2dlcX1 PHE 341 HB2 -0.36 0.03 0.08 -0.04 3.15 2.86 2dlcX1 PHE 341 HB3 -0.13 0.19 0.16 -0.04 3.06 3.24 2dlcX1 PHE 341 HD2 -1.08 0.02 -0.12 -0.04 7.28 6.06 2dlcX1 PHE 341 HE2 -0.15 0.02 -0.08 -0.04 7.38 7.13 2dlcX1 PHE 341 HZ -0.08 0.00 -0.00 -0.04 7.32 7.20 2dlcX1 ALA 342 H 0.11 0.45 -0.17 -0.55 8.40 8.24 2dlcX1 ALA 342 HA -0.13 0.03 0.44 -0.75 4.34 3.93 2dlcX1 ALA 342 HB3 0.04 0.01 0.08 -0.04 1.41 1.49 2dlcX1 ASN 343 H 0.02 0.27 -0.48 -0.55 8.53 7.79 2dlcX1 ASN 343 HA -0.01 0.10 0.74 -0.75 4.76 4.83 2dlcX1 ASN 343 HB2 0.04 0.10 0.13 -0.04 2.88 3.11 2dlcX1 ASN 343 HB3 0.02 -0.10 0.08 -0.04 2.79 2.74 2dlcX1 ASN 343 HD21 0.02 -0.08 -0.03 -0.04 7.03 6.91 2dlcX1 ASN 343 HD22 0.03 -0.02 -0.06 -0.04 7.74 7.66 2dlcX1 ASN 344 H -0.02 0.38 -0.23 -0.55 8.53 8.11 2dlcX1 ASN 344 HA 0.01 0.08 0.90 -0.75 4.76 5.00 2dlcX1 ASN 344 HB2 0.09 0.11 0.04 -0.04 2.88 3.07 2dlcX1 ASN 344 HB3 0.22 0.11 0.21 -0.04 2.79 3.29 2dlcX1 ASN 344 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.94 2dlcX1 ASN 344 HD22 0.01 0.13 -0.01 -0.04 7.74 7.84 2dlcX1 LYS 345 H -0.01 0.23 0.17 -0.55 8.42 8.25 2dlcX1 LYS 345 HA -0.08 0.18 0.48 -0.75 4.32 4.14 2dlcX1 LYS 345 HB2 -0.01 0.02 0.15 -0.04 1.87 1.99 2dlcX1 LYS 345 HB3 -0.01 -0.00 -0.03 -0.04 1.79 1.71 2dlcX1 LYS 345 HG2 -0.06 0.03 0.01 -0.04 1.46 1.41 2dlcX1 LYS 345 HG3 -0.03 0.08 -0.01 -0.04 1.46 1.46 2dlcX1 LYS 345 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.62 2dlcX1 LYS 345 HD3 -0.02 -0.02 -0.00 -0.04 1.68 1.60 2dlcX1 LYS 345 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 2dlcX1 LYS 345 HE3 -0.02 0.04 -0.00 -0.04 2.99 2.97 2dlcX1 GLU 346 H 0.03 0.13 -0.00 -0.55 8.60 8.22 2dlcX1 GLU 346 HA 0.07 0.09 0.50 -0.75 4.29 4.20 2dlcX1 GLU 346 HB2 0.04 0.01 0.12 -0.04 2.09 2.21 2dlcX1 GLU 346 HB3 0.06 0.06 -0.04 -0.04 1.99 2.02 2dlcX1 GLU 346 HG2 0.09 -0.02 0.06 -0.04 2.34 2.43 2dlcX1 GLU 346 HG3 0.04 0.02 0.03 -0.04 2.34 2.39 2dlcX1 PHE 347 H 0.18 0.10 -0.33 -0.55 8.34 7.74 2dlcX1 PHE 347 HA 0.12 0.05 0.42 -0.75 4.62 4.46 2dlcX1 PHE 347 HB2 0.01 -0.06 0.05 -0.04 3.15 3.11 2dlcX1 PHE 347 HB3 -0.08 0.30 0.11 -0.04 3.06 3.36 2dlcX1 PHE 347 HD2 0.16 -0.00 -0.05 -0.04 7.28 7.35 2dlcX1 PHE 347 HE2 -0.36 0.05 -0.04 -0.04 7.38 6.99 2dlcX1 PHE 347 HZ -0.24 -0.02 -0.08 -0.04 7.32 6.94 2dlcX1 GLN 348 H -0.09 0.40 -0.13 -0.55 8.47 8.10 2dlcX1 GLN 348 HA -0.31 0.05 0.47 -0.75 4.36 3.82 2dlcX1 GLN 348 HB2 -0.19 -0.00 0.24 -0.04 2.15 2.15 2dlcX1 GLN 348 HB3 -0.17 -0.06 -0.02 -0.04 2.02 1.73 2dlcX1 GLN 348 HG2 -0.80 -0.09 0.02 -0.04 2.40 1.49 2dlcX1 GLN 348 HG3 -1.13 0.30 0.10 -0.04 2.39 1.62 2dlcX1 GLN 348 HE21 -0.11 -0.02 -0.02 -0.04 6.97 6.78 2dlcX1 GLN 348 HE22 -0.14 -0.06 -0.02 -0.04 7.69 7.43 2dlcX1 GLU 349 H 0.04 0.63 -0.11 -0.55 8.60 8.61 2dlcX1 GLU 349 HA -0.01 0.02 0.49 -0.75 4.29 4.04 2dlcX1 GLU 349 HB2 0.01 -0.02 0.10 -0.04 2.09 2.14 2dlcX1 GLU 349 HB3 0.07 0.06 0.22 -0.04 1.99 2.30 2dlcX1 GLU 349 HG2 0.11 0.03 -0.23 -0.04 2.34 2.21 2dlcX1 GLU 349 HG3 -0.06 -0.06 -0.06 -0.04 2.34 2.12 2dlcX1 ALA 350 H 0.21 0.56 -0.15 -0.55 8.40 8.47 2dlcX1 ALA 350 HA 0.21 -0.05 0.41 -0.75 4.34 4.16 2dlcX1 ALA 350 HB3 0.41 0.07 0.12 -0.04 1.41 1.97 2dlcX1 SER 351 H 0.33 0.41 -0.33 -0.55 8.46 8.33 2dlcX1 SER 351 HA 0.03 0.03 0.44 -0.75 4.49 4.24 2dlcX1 SER 351 HB2 0.56 0.11 0.13 -0.04 3.95 4.71 2dlcX1 SER 351 HB3 0.29 0.12 0.10 -0.04 3.93 4.40 2dlcX1 GLU 352 H 0.07 0.42 -0.15 -0.55 8.60 8.39 2dlcX1 GLU 352 HA 0.03 0.09 0.32 -0.75 4.29 3.97 2dlcX1 GLU 352 HB2 -0.02 0.07 0.19 -0.04 2.09 2.28 2dlcX1 GLU 352 HB3 -0.03 -0.06 -0.03 -0.04 1.99 1.82 2dlcX1 GLU 352 HG2 0.02 -0.04 0.02 -0.04 2.34 2.29 2dlcX1 GLU 352 HG3 0.06 0.03 0.03 -0.04 2.34 2.42 2dlcX1 LYS 353 H -0.16 0.52 -0.10 -0.55 8.42 8.12 2dlcX1 LYS 353 HA -0.19 0.09 0.54 -0.75 4.32 4.00 2dlcX1 LYS 353 HB2 -0.95 0.10 0.07 -0.04 1.87 1.04 2dlcX1 LYS 353 HB3 -1.08 -0.05 0.00 -0.04 1.79 0.62 2dlcX1 LYS 353 HG2 -0.30 -0.04 -0.00 -0.04 1.46 1.09 2dlcX1 LYS 353 HG3 -0.24 -0.02 -0.08 -0.04 1.46 1.08 2dlcX1 LYS 353 HD2 -0.47 0.05 -0.05 -0.04 1.69 1.18 2dlcX1 LYS 353 HD3 -0.48 -0.04 -0.02 -0.04 1.68 1.09 2dlcX1 LYS 353 HE2 -0.11 0.01 -0.02 -0.04 2.99 2.83 2dlcX1 LYS 353 HE3 -0.07 -0.03 -0.01 -0.04 2.99 2.84 2dlcX1 GLY 354 H -0.11 0.39 -0.24 -0.55 8.43 7.92 2dlcX1 GLY 354 HA2 -0.12 0.02 0.62 -0.51 4.01 4.02 2dlcX1 GLY 354 HA3 -0.25 0.05 0.24 -0.51 4.01 3.54 2dlcX1 TYR 355 H -0.03 0.20 -0.55 -0.55 8.29 7.36 2dlcX1 TYR 355 HA -0.03 0.14 0.75 -0.75 4.56 4.67 2dlcX1 TYR 355 HB2 -0.11 0.13 0.16 -0.04 3.06 3.20 2dlcX1 TYR 355 HB3 -0.07 -0.06 0.12 -0.04 2.98 2.93 2dlcX1 TYR 355 HD2 -0.19 0.05 0.01 -0.04 7.15 6.99 2dlcX1 TYR 355 HE2 -0.37 -0.00 -0.03 -0.04 6.85 6.40 2dlcX1 PRO 356 HA 0.01 0.19 0.24 -0.51 4.44 4.37 2dlcX1 PRO 356 HB2 -0.00 -0.04 0.06 -0.04 2.28 2.26 2dlcX1 PRO 356 HB3 -0.02 0.08 0.05 -0.04 2.02 2.08 2dlcX1 PRO 356 HG2 0.00 -0.02 0.02 -0.04 2.03 1.99 2dlcX1 PRO 356 HG3 -0.01 0.01 0.00 -0.04 2.03 1.99 2dlcX1 PRO 356 HD2 -0.01 0.12 -0.06 -0.04 3.68 3.69 2dlcX1 PRO 356 HD3 -0.06 0.21 -0.41 -0.04 3.65 3.35