============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 15 0.840 -4.594 25.720 88.876 -99.200 -91.000 PHE 16 1.000 0.328 23.193 95.144 -99.200 -91.000 TYR 30 0.840 0.454 36.350 102.507 -99.200 -91.000 PHE 38 1.000 1.524 28.810 96.958 -99.200 -91.000 PHE 59 1.000 -21.308 45.801 90.369 -99.200 -91.000 PHE 61 1.000 -15.513 45.729 90.303 -99.200 -91.000 TYR 68 0.840 -6.062 40.916 87.382 -99.200 -91.000 TRP 70 1.040 1.479 40.488 95.335 -99.200 -91.000 TRP6 70 1.020 1.452 38.101 95.397 -99.200 -91.000 HIS 81 0.900 -14.268 31.597 96.463 -99.200 -91.000 TRP 85 1.040 -21.192 30.962 99.065 -99.200 -91.000 TRP6 85 1.020 -19.243 31.793 100.093 -99.200 -91.000 HIS 86 0.900 -24.740 29.227 101.381 -99.200 -91.000 TRP 92 1.040 -26.999 45.255 98.263 -99.200 -91.000 TRP6 92 1.020 -27.511 44.035 96.309 -99.200 -91.000 HIS 108 0.900 -22.048 40.306 92.649 -99.200 -91.000 HIS 115 0.900 -13.191 46.268 87.537 -99.200 -91.000 TYR 116 0.840 -11.867 41.695 88.717 -99.200 -91.000 TRP 123 1.040 -14.870 34.864 86.837 -99.200 -91.000 TRP6 123 1.020 -15.131 36.041 88.855 -99.200 -91.000 PHE 130 1.000 -26.362 19.923 94.434 -99.200 -91.000 TRP 150 1.040 -30.105 28.600 92.553 -99.200 -91.000 TRP6 150 1.020 -27.933 29.318 93.224 -99.200 -91.000 PHE 155 1.000 -22.190 27.175 86.319 -99.200 -91.000 TYR 169 0.840 -21.704 23.406 92.407 -99.200 -91.000 TYR 172 0.840 -19.267 22.556 102.590 -99.200 -91.000 TRP 177 1.040 -18.189 7.350 92.899 -99.200 -91.000 TRP6 177 1.020 -18.881 8.995 91.365 -99.200 -91.000 TRP 179 1.040 -19.271 11.242 102.163 -99.200 -91.000 TRP6 179 1.020 -17.522 12.812 102.509 -99.200 -91.000 TYR 186 0.840 -21.532 11.523 87.980 -99.200 -91.000 PHE 192 1.000 -26.495 22.608 85.404 -99.200 -91.000 PHE 204 1.000 -14.473 17.615 92.600 -99.200 -91.000 HIS 207 0.900 -11.681 24.194 102.825 -99.200 -91.000 PHE 208 1.000 -9.591 16.074 101.297 -99.200 -91.000 TYR 214 0.840 -7.143 11.074 100.083 -99.200 -91.000 PHE 218 1.000 -10.301 14.553 95.632 -99.200 -91.000 PHE 225 1.000 -18.331 15.433 89.842 -99.200 -91.000 TYR 247 0.840 -1.168 19.267 102.384 -99.200 -91.000 TRP 266 1.040 -9.276 29.059 101.642 -99.200 -91.000 TRP6 266 1.020 -9.721 29.874 99.460 -99.200 -91.000 TRP 274 1.040 -10.398 27.294 106.820 -99.200 -91.000 TRP6 274 1.020 -12.065 26.165 108.094 -99.200 -91.000 PHE 283 1.000 5.972 27.419 102.344 -99.200 -91.000 TYR 293 0.840 7.545 23.314 99.534 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g4fB1 ALA 1 HA -0.01 -0.11 0.15 -0.75 4.34 3.62 2g4fB1 ALA 1 HB3 -0.01 -0.09 0.09 -0.04 1.41 1.36 2g4fB1 GLU 2 H -0.02 0.09 -0.16 -0.55 8.60 7.96 2g4fB1 GLU 2 HA -0.02 0.13 0.24 -0.75 4.29 3.88 2g4fB1 GLU 2 HB2 -0.01 0.22 -0.34 -0.04 2.09 1.91 2g4fB1 GLU 2 HB3 -0.01 -0.07 0.05 -0.04 1.99 1.93 2g4fB1 GLU 2 HG2 -0.01 -0.03 -0.07 -0.04 2.34 2.19 2g4fB1 GLU 2 HG3 -0.01 -0.02 -0.09 -0.04 2.34 2.17 2g4fB1 SER 3 H -0.01 0.13 0.15 -0.55 8.46 8.18 2g4fB1 SER 3 HA 0.01 0.12 0.40 -0.75 4.49 4.26 2g4fB1 SER 3 HB2 -0.00 0.01 0.13 -0.04 3.95 4.05 2g4fB1 SER 3 HB3 0.01 -0.00 -0.01 -0.04 3.93 3.88 2g4fB1 THR 4 H -0.01 0.06 -0.02 -0.55 8.28 7.76 2g4fB1 THR 4 HA 0.07 0.19 0.90 -0.75 4.39 4.80 2g4fB1 THR 4 HB -0.04 0.04 0.18 -0.04 4.32 4.46 2g4fB1 THR 4 HG23 -0.00 0.02 -0.06 -0.04 1.22 1.13 2g4fB1 LEU 5 H -0.13 0.16 0.20 -0.55 8.37 8.05 2g4fB1 LEU 5 HA -0.31 0.07 0.21 -0.75 4.35 3.57 2g4fB1 LEU 5 HB2 -0.40 0.20 0.20 -0.04 1.64 1.60 2g4fB1 LEU 5 HB3 -1.03 -0.01 0.02 -0.04 1.64 0.58 2g4fB1 LEU 5 HG -0.40 -0.02 0.11 -0.04 1.64 1.28 2g4fB1 LEU 5 HD13 -0.44 -0.01 -0.01 -0.04 0.93 0.43 2g4fB1 LEU 5 HD23 -1.00 0.00 -0.03 -0.04 0.89 -0.18 2g4fB1 GLY 6 H -0.04 0.61 0.15 -0.55 8.43 8.60 2g4fB1 GLY 6 HA2 0.21 -0.12 0.50 -0.51 4.01 4.09 2g4fB1 GLY 6 HA3 0.11 0.11 0.35 -0.51 4.01 4.07 2g4fB1 ALA 7 H 0.00 0.09 -0.23 -0.55 8.40 7.72 2g4fB1 ALA 7 HA 0.02 0.12 0.35 -0.75 4.34 4.07 2g4fB1 ALA 7 HB3 -0.00 0.01 -0.04 -0.04 1.41 1.34 2g4fB1 ALA 8 H -0.02 0.48 -0.30 -0.55 8.40 8.01 2g4fB1 ALA 8 HA -0.01 0.22 0.61 -0.75 4.34 4.41 2g4fB1 ALA 8 HB3 -0.05 -0.01 -0.05 -0.04 1.41 1.26 2g4fB1 ALA 9 H 0.04 0.44 -0.15 -0.55 8.40 8.18 2g4fB1 ALA 9 HA 0.06 0.03 0.38 -0.75 4.34 4.05 2g4fB1 ALA 9 HB3 0.16 -0.02 -0.20 -0.04 1.41 1.31 2g4fB1 ALA 10 H 0.06 0.52 -0.11 -0.55 8.40 8.32 2g4fB1 ALA 10 HA 0.05 0.10 0.47 -0.75 4.34 4.21 2g4fB1 ALA 10 HB3 0.04 0.01 0.10 -0.04 1.41 1.53 2g4fB1 GLN 11 H 0.02 0.32 -0.45 -0.55 8.47 7.82 2g4fB1 GLN 11 HA 0.01 -0.02 0.47 -0.75 4.36 4.07 2g4fB1 GLN 11 HB2 0.00 0.30 0.16 -0.04 2.15 2.58 2g4fB1 GLN 11 HB3 0.00 -0.10 0.07 -0.04 2.02 1.95 2g4fB1 GLN 11 HG2 0.00 -0.11 0.15 -0.04 2.40 2.39 2g4fB1 GLN 11 HG3 0.00 0.21 0.25 -0.04 2.39 2.82 2g4fB1 GLN 11 HE21 -0.01 -0.16 0.13 -0.04 6.97 6.89 2g4fB1 GLN 11 HE22 -0.01 0.35 0.19 -0.04 7.69 8.18 2g4fB1 SER 12 H 0.02 0.41 -0.41 -0.55 8.46 7.93 2g4fB1 SER 12 HA 0.00 0.16 0.95 -0.75 4.49 4.84 2g4fB1 SER 12 HB2 -0.00 -0.03 0.20 -0.04 3.95 4.07 2g4fB1 SER 12 HB3 0.00 -0.01 0.01 -0.04 3.93 3.89 2g4fB1 GLY 13 H 0.02 0.55 -0.21 -0.55 8.43 8.25 2g4fB1 GLY 13 HA2 0.03 -0.02 0.33 -0.51 4.01 3.84 2g4fB1 GLY 13 HA3 0.02 0.07 0.55 -0.51 4.01 4.13 2g4fB1 ARG 14 H 0.03 0.38 -0.07 -0.55 8.46 8.24 2g4fB1 ARG 14 HA -0.01 0.32 0.55 -0.75 4.34 4.45 2g4fB1 ARG 14 HB2 -0.00 0.03 -0.04 -0.04 1.90 1.84 2g4fB1 ARG 14 HB3 -0.11 -0.16 0.02 -0.04 1.80 1.51 2g4fB1 ARG 14 HG2 -0.07 0.16 -0.16 -0.04 1.67 1.56 2g4fB1 ARG 14 HG3 -0.02 0.10 -0.24 -0.04 1.67 1.47 2g4fB1 ARG 14 HD2 -0.02 -0.09 -0.11 -0.04 3.22 2.96 2g4fB1 ARG 14 HD3 -0.08 -0.22 -0.22 -0.04 3.22 2.67 2g4fB1 TYR 15 H -0.31 0.36 0.38 -0.55 8.29 8.16 2g4fB1 TYR 15 HA 0.09 0.21 0.91 -0.75 4.56 5.03 2g4fB1 TYR 15 HB2 0.07 -0.09 -0.13 -0.04 3.06 2.87 2g4fB1 TYR 15 HB3 0.04 0.13 -0.10 -0.04 2.98 3.01 2g4fB1 TYR 15 HD2 0.01 0.05 -0.34 -0.04 7.15 6.83 2g4fB1 TYR 15 HE2 -0.02 -0.01 -0.41 -0.04 6.85 6.38 2g4fB1 PHE 16 H 0.37 0.17 0.17 -0.55 8.34 8.49 2g4fB1 PHE 16 HA 0.23 0.33 0.87 -0.75 4.62 5.30 2g4fB1 PHE 16 HB2 0.10 0.11 -0.13 -0.04 3.15 3.19 2g4fB1 PHE 16 HB3 0.19 -0.09 0.00 -0.04 3.06 3.12 2g4fB1 PHE 16 HD2 0.33 0.05 -0.13 -0.04 7.28 7.49 2g4fB1 PHE 16 HE2 0.24 -0.04 -0.05 -0.04 7.38 7.49 2g4fB1 PHE 16 HZ 0.15 -0.08 -0.09 -0.04 7.32 7.26 2g4fB1 GLY 17 H 0.02 0.86 0.38 -0.55 8.43 9.15 2g4fB1 GLY 17 HA2 0.22 0.12 0.94 -0.51 4.01 4.77 2g4fB1 GLY 17 HA3 0.05 -0.03 0.22 -0.51 4.01 3.74 2g4fB1 THR 18 H -0.21 0.57 0.31 -0.55 8.28 8.40 2g4fB1 THR 18 HA -0.30 0.31 0.55 -0.75 4.39 4.20 2g4fB1 THR 18 HB -2.09 0.05 -0.05 -0.04 4.32 2.19 2g4fB1 THR 18 HG23 -0.38 0.00 -0.17 -0.04 1.22 0.62 2g4fB1 ALA 19 H -0.33 -0.03 0.28 -0.55 8.40 7.77 2g4fB1 ALA 19 HA -0.42 0.29 0.95 -0.75 4.34 4.41 2g4fB1 ALA 19 HB3 -1.29 -0.01 0.01 -0.04 1.41 0.07 2g4fB1 ILE 20 H -0.21 0.73 0.32 -0.55 8.25 8.54 2g4fB1 ILE 20 HA -0.08 0.14 0.88 -0.75 4.18 4.37 2g4fB1 ILE 20 HB -0.07 0.02 -0.01 -0.04 1.89 1.79 2g4fB1 ILE 20 HG12 -0.06 0.01 -0.26 -0.04 1.49 1.13 2g4fB1 ILE 20 HG13 0.06 0.11 -0.13 -0.04 1.21 1.21 2g4fB1 ILE 20 HG23 -0.24 -0.02 -0.23 -0.04 0.93 0.41 2g4fB1 ILE 20 HD13 -0.28 0.04 -0.11 -0.04 0.88 0.49 2g4fB1 ALA 21 H -0.06 0.29 0.09 -0.55 8.40 8.17 2g4fB1 ALA 21 HA -0.09 0.03 0.90 -0.75 4.34 4.43 2g4fB1 ALA 21 HB3 -0.15 0.04 0.04 -0.04 1.41 1.29 2g4fB1 SER 22 H -0.05 0.16 0.16 -0.55 8.46 8.19 2g4fB1 SER 22 HA -0.09 0.13 0.22 -0.75 4.49 4.01 2g4fB1 SER 22 HB2 -0.00 0.09 0.07 -0.04 3.95 4.06 2g4fB1 SER 22 HB3 0.01 0.10 0.16 -0.04 3.93 4.17 2g4fB1 GLY 23 H -0.09 0.00 -0.34 -0.55 8.43 7.46 2g4fB1 GLY 23 HA2 -0.07 0.12 0.37 -0.51 4.01 3.92 2g4fB1 GLY 23 HA3 -0.09 0.04 0.25 -0.51 4.01 3.70 2g4fB1 LYS 24 H -0.28 0.53 -0.16 -0.55 8.42 7.96 2g4fB1 LYS 24 HA -0.31 0.16 0.80 -0.75 4.32 4.22 2g4fB1 LYS 24 HB2 -0.97 0.05 0.13 -0.04 1.87 1.04 2g4fB1 LYS 24 HB3 -1.43 -0.04 0.17 -0.04 1.79 0.45 2g4fB1 LYS 24 HG2 -0.39 0.02 0.03 -0.04 1.46 1.09 2g4fB1 LYS 24 HG3 -0.30 -0.04 -0.12 -0.04 1.46 0.96 2g4fB1 LYS 24 HD2 -0.41 -0.05 0.06 -0.04 1.69 1.25 2g4fB1 LYS 24 HD3 -0.40 -0.05 0.05 -0.04 1.68 1.23 2g4fB1 LYS 24 HE2 -0.13 -0.05 -0.01 -0.04 2.99 2.76 2g4fB1 LYS 24 HE3 -0.09 0.08 0.08 -0.04 2.99 3.03 2g4fB1 LEU 25 H -0.20 0.40 -0.31 -0.55 8.37 7.71 2g4fB1 LEU 25 HA -0.19 0.07 0.33 -0.75 4.35 3.80 2g4fB1 LEU 25 HB2 -0.12 0.16 0.08 -0.04 1.64 1.72 2g4fB1 LEU 25 HB3 -0.15 0.04 0.04 -0.04 1.64 1.53 2g4fB1 LEU 25 HG -0.24 -0.06 -0.08 -0.04 1.64 1.23 2g4fB1 LEU 25 HD13 -0.11 0.00 -0.09 -0.04 0.93 0.69 2g4fB1 LEU 25 HD23 -0.90 -0.01 -0.11 -0.04 0.89 -0.17 2g4fB1 GLY 26 H -0.09 0.14 -0.40 -0.55 8.43 7.54 2g4fB1 GLY 26 HA2 -0.01 0.18 0.68 -0.51 4.01 4.36 2g4fB1 GLY 26 HA3 -0.03 0.01 0.27 -0.51 4.01 3.76 2g4fB1 ASP 27 H -0.07 0.46 -0.32 -0.55 8.40 7.92 2g4fB1 ASP 27 HA -0.01 0.11 0.83 -0.75 4.63 4.81 2g4fB1 ASP 27 HB2 -0.09 0.04 0.09 -0.04 2.71 2.71 2g4fB1 ASP 27 HB3 -0.12 0.24 0.28 -0.04 2.70 3.07 2g4fB1 SER 28 H 0.02 0.22 0.11 -0.55 8.46 8.27 2g4fB1 SER 28 HA 0.07 0.16 0.46 -0.75 4.49 4.43 2g4fB1 SER 28 HB2 0.04 0.05 0.05 -0.04 3.95 4.05 2g4fB1 SER 28 HB3 0.04 0.10 -0.02 -0.04 3.93 4.02 2g4fB1 ALA 29 H 0.03 0.09 -0.02 -0.55 8.40 7.96 2g4fB1 ALA 29 HA 0.01 0.16 0.66 -0.75 4.34 4.42 2g4fB1 ALA 29 HB3 0.03 0.02 0.05 -0.04 1.41 1.47 2g4fB1 TYR 30 H 0.13 0.07 -0.30 -0.55 8.29 7.64 2g4fB1 TYR 30 HA -0.07 0.01 0.35 -0.75 4.56 4.09 2g4fB1 TYR 30 HB2 -0.07 -0.08 0.11 -0.04 3.06 2.97 2g4fB1 TYR 30 HB3 -0.09 0.39 0.19 -0.04 2.98 3.43 2g4fB1 TYR 30 HD2 -0.17 0.05 -0.08 -0.04 7.15 6.90 2g4fB1 TYR 30 HE2 -0.28 -0.07 -0.02 -0.04 6.85 6.45 2g4fB1 THR 31 H 0.12 0.43 -0.01 -0.55 8.28 8.26 2g4fB1 THR 31 HA -0.05 0.03 0.47 -0.75 4.39 4.08 2g4fB1 THR 31 HB 0.42 0.05 0.02 -0.04 4.32 4.77 2g4fB1 THR 31 HG23 -0.05 0.06 0.02 -0.04 1.22 1.21 2g4fB1 THR 32 H 0.04 0.36 -0.38 -0.55 8.28 7.76 2g4fB1 THR 32 HA 0.05 0.09 0.49 -0.75 4.39 4.26 2g4fB1 THR 32 HB -0.01 0.03 0.18 -0.04 4.32 4.48 2g4fB1 THR 32 HG23 -0.01 -0.01 -0.07 -0.04 1.22 1.09 2g4fB1 ILE 33 H -0.09 0.40 -0.13 -0.55 8.25 7.88 2g4fB1 ILE 33 HA -0.17 0.07 0.46 -0.75 4.18 3.77 2g4fB1 ILE 33 HB -0.30 0.04 0.15 -0.04 1.89 1.73 2g4fB1 ILE 33 HG12 -0.25 0.01 0.05 -0.04 1.49 1.26 2g4fB1 ILE 33 HG13 -0.14 0.17 0.13 -0.04 1.21 1.33 2g4fB1 ILE 33 HG23 -0.91 -0.02 -0.13 -0.04 0.93 -0.18 2g4fB1 ILE 33 HD13 -0.26 -0.05 -0.03 -0.04 0.88 0.50 2g4fB1 ALA 34 H -0.16 0.60 -0.02 -0.55 8.40 8.27 2g4fB1 ALA 34 HA 0.25 -0.06 0.18 -0.75 4.34 3.95 2g4fB1 ALA 34 HB3 -0.16 -0.02 0.06 -0.04 1.41 1.25 2g4fB1 SER 35 H 0.21 0.43 -0.38 -0.55 8.46 8.18 2g4fB1 SER 35 HA 0.08 0.09 0.37 -0.75 4.49 4.27 2g4fB1 SER 35 HB2 0.21 -0.05 0.13 -0.04 3.95 4.20 2g4fB1 SER 35 HB3 0.07 0.04 0.14 -0.04 3.93 4.13 2g4fB1 ARG 36 H -0.00 0.37 -0.18 -0.55 8.46 8.08 2g4fB1 ARG 36 HA -0.03 0.07 0.47 -0.75 4.34 4.09 2g4fB1 ARG 36 HB2 -0.03 0.08 0.17 -0.04 1.90 2.08 2g4fB1 ARG 36 HB3 -0.07 0.01 0.17 -0.04 1.80 1.88 2g4fB1 ARG 36 HG2 -0.03 -0.07 -0.06 -0.04 1.67 1.47 2g4fB1 ARG 36 HG3 -0.03 -0.01 0.06 -0.04 1.67 1.65 2g4fB1 ARG 36 HD2 -0.02 -0.04 -0.02 -0.04 3.22 3.10 2g4fB1 ARG 36 HD3 -0.03 0.00 -0.01 -0.04 3.22 3.15 2g4fB1 GLU 37 H -0.13 0.43 -0.17 -0.55 8.60 8.19 2g4fB1 GLU 37 HA -0.18 0.00 0.64 -0.75 4.29 4.00 2g4fB1 GLU 37 HB2 -0.90 0.08 0.02 -0.04 2.09 1.25 2g4fB1 GLU 37 HB3 -0.76 -0.14 0.04 -0.04 1.99 1.09 2g4fB1 GLU 37 HG2 -0.16 0.13 -0.01 -0.04 2.34 2.27 2g4fB1 GLU 37 HG3 -0.08 -0.08 -0.02 -0.04 2.34 2.12 2g4fB1 PHE 38 H 0.04 0.49 0.04 -0.55 8.34 8.37 2g4fB1 PHE 38 HA 0.17 0.18 1.14 -0.75 4.62 5.35 2g4fB1 PHE 38 HB2 0.11 0.11 0.11 -0.04 3.15 3.44 2g4fB1 PHE 38 HB3 0.14 -0.04 0.23 -0.04 3.06 3.35 2g4fB1 PHE 38 HD2 0.26 0.15 -0.20 -0.04 7.28 7.44 2g4fB1 PHE 38 HE2 0.25 -0.07 -0.11 -0.04 7.38 7.41 2g4fB1 PHE 38 HZ 0.25 -0.05 -0.03 -0.04 7.32 7.44 2g4fB1 ASN 39 H 0.28 0.35 0.34 -0.55 8.53 8.95 2g4fB1 ASN 39 HA 0.06 0.35 0.87 -0.75 4.76 5.29 2g4fB1 ASN 39 HB2 0.06 0.04 0.23 -0.04 2.88 3.17 2g4fB1 ASN 39 HB3 0.07 0.07 0.04 -0.04 2.79 2.92 2g4fB1 ASN 39 HD21 0.15 0.19 0.16 -0.04 7.03 7.48 2g4fB1 ASN 39 HD22 0.09 0.07 -0.05 -0.04 7.74 7.80 2g4fB1 MET 40 H 0.17 0.19 0.05 -0.55 8.47 8.34 2g4fB1 MET 40 HA -0.09 0.33 0.70 -0.75 4.52 4.69 2g4fB1 MET 40 HB2 -0.30 0.10 -0.32 -0.04 2.15 1.59 2g4fB1 MET 40 HB3 -0.05 -0.12 -0.22 -0.04 2.03 1.59 2g4fB1 MET 40 HG2 -0.88 -0.01 -0.27 -0.04 2.63 1.42 2g4fB1 MET 40 HG3 -0.24 -0.04 -0.33 -0.04 2.56 1.91 2g4fB1 MET 40 HE3 -0.63 0.02 -0.17 -0.04 2.10 1.29 2g4fB1 VAL 41 H -0.09 0.51 0.22 -0.55 8.24 8.33 2g4fB1 VAL 41 HA -0.05 0.18 0.96 -0.75 4.13 4.48 2g4fB1 VAL 41 HB 0.01 0.11 0.03 -0.04 2.12 2.22 2g4fB1 VAL 41 HG13 0.05 -0.05 -0.31 -0.04 0.97 0.62 2g4fB1 VAL 41 HG23 0.19 -0.00 -0.30 -0.04 0.95 0.79 2g4fB1 THR 42 H -0.10 0.64 0.35 -0.55 8.28 8.62 2g4fB1 THR 42 HA -0.06 0.35 0.89 -0.75 4.39 4.81 2g4fB1 THR 42 HB -0.02 -0.07 0.02 -0.04 4.32 4.22 2g4fB1 THR 42 HG23 0.13 0.05 -0.23 -0.04 1.22 1.13 2g4fB1 ALA 43 H -0.01 0.29 0.12 -0.55 8.40 8.25 2g4fB1 ALA 43 HA -0.03 0.15 0.70 -0.75 4.34 4.41 2g4fB1 ALA 43 HB3 0.05 -0.02 0.10 -0.04 1.41 1.50 2g4fB1 GLU 44 H -0.08 0.67 0.38 -0.55 8.60 9.02 2g4fB1 GLU 44 HA -0.14 0.12 0.13 -0.75 4.29 3.64 2g4fB1 GLU 44 HB2 -0.36 -0.01 -0.12 -0.04 2.09 1.55 2g4fB1 GLU 44 HB3 -0.09 -0.12 0.03 -0.04 1.99 1.77 2g4fB1 GLU 44 HG2 0.09 0.01 -0.19 -0.04 2.34 2.20 2g4fB1 GLU 44 HG3 -0.25 0.02 -0.03 -0.04 2.34 2.05 2g4fB1 ASN 45 H 0.08 -0.19 -0.06 -0.55 8.53 7.82 2g4fB1 ASN 45 HA 0.21 0.25 0.82 -0.75 4.76 5.28 2g4fB1 ASN 45 HB2 0.07 -0.09 0.03 -0.04 2.88 2.84 2g4fB1 ASN 45 HB3 0.09 0.04 -0.00 -0.04 2.79 2.87 2g4fB1 ASN 45 HD21 0.07 0.07 -0.12 -0.04 7.03 7.01 2g4fB1 ASN 45 HD22 0.03 -0.11 -0.08 -0.04 7.74 7.54 2g4fB1 GLU 46 H 0.11 -0.08 0.00 -0.55 8.60 8.08 2g4fB1 GLU 46 HA 0.12 0.11 0.00 -0.75 4.29 3.77 2g4fB1 GLU 46 HB2 0.10 0.03 -0.01 -0.04 2.09 2.17 2g4fB1 GLU 46 HB3 0.14 -0.02 -0.38 -0.04 1.99 1.70 2g4fB1 GLU 46 HG2 0.07 0.19 -0.04 -0.04 2.34 2.52 2g4fB1 GLU 46 HG3 0.07 0.04 -0.04 -0.04 2.34 2.38 2g4fB1 MET 47 H 0.17 0.14 -0.28 -0.55 8.47 7.95 2g4fB1 MET 47 HA 0.29 0.25 0.81 -0.75 4.52 5.11 2g4fB1 MET 47 HB2 0.15 0.05 0.01 -0.04 2.15 2.33 2g4fB1 MET 47 HB3 0.33 0.01 0.01 -0.04 2.03 2.34 2g4fB1 MET 47 HG2 0.21 0.10 -0.07 -0.04 2.63 2.83 2g4fB1 MET 47 HG3 0.12 -0.20 -0.28 -0.04 2.56 2.15 2g4fB1 MET 47 HE3 -0.19 0.00 -0.07 -0.04 2.10 1.80 2g4fB1 LYS 48 H 0.19 0.24 -0.12 -0.55 8.42 8.19 2g4fB1 LYS 48 HA 0.21 0.17 0.90 -0.75 4.32 4.85 2g4fB1 LYS 48 HB2 0.15 0.05 0.16 -0.04 1.87 2.19 2g4fB1 LYS 48 HB3 0.17 -0.05 0.20 -0.04 1.79 2.07 2g4fB1 LYS 48 HG2 0.25 0.00 -0.03 -0.04 1.46 1.64 2g4fB1 LYS 48 HG3 0.22 -0.00 -0.09 -0.04 1.46 1.55 2g4fB1 LYS 48 HD2 0.20 -0.00 0.13 -0.04 1.69 1.97 2g4fB1 LYS 48 HD3 0.30 -0.07 0.04 -0.04 1.68 1.91 2g4fB1 LYS 48 HE2 0.59 -0.06 -0.04 -0.04 2.99 3.44 2g4fB1 LYS 48 HE3 0.39 0.22 0.09 -0.04 2.99 3.65 2g4fB1 ILE 49 H 0.11 0.22 0.18 -0.55 8.25 8.21 2g4fB1 ILE 49 HA 0.12 0.12 0.30 -0.75 4.18 3.95 2g4fB1 ILE 49 HB -0.18 0.09 0.16 -0.04 1.89 1.92 2g4fB1 ILE 49 HG12 -0.47 0.13 0.06 -0.04 1.49 1.17 2g4fB1 ILE 49 HG13 0.07 0.03 0.07 -0.04 1.21 1.34 2g4fB1 ILE 49 HG23 -0.62 -0.00 -0.06 -0.04 0.93 0.21 2g4fB1 ILE 49 HD13 -0.06 -0.03 -0.06 -0.04 0.88 0.69 2g4fB1 ASP 50 H -0.05 0.46 0.08 -0.55 8.40 8.34 2g4fB1 ASP 50 HA -0.06 0.08 0.38 -0.75 4.63 4.28 2g4fB1 ASP 50 HB2 -0.05 -0.02 -0.09 -0.04 2.71 2.52 2g4fB1 ASP 50 HB3 -0.13 -0.03 -0.40 -0.04 2.70 2.11 2g4fB1 ALA 51 H 0.09 0.06 -0.55 -0.55 8.40 7.45 2g4fB1 ALA 51 HA 0.06 0.04 0.41 -0.75 4.34 4.10 2g4fB1 ALA 51 HB3 0.12 -0.03 -0.01 -0.04 1.41 1.45 2g4fB1 THR 52 H 0.19 0.31 -0.19 -0.55 8.28 8.04 2g4fB1 THR 52 HA 0.01 0.38 0.94 -0.75 4.39 4.96 2g4fB1 THR 52 HB 0.28 -0.06 0.00 -0.04 4.32 4.49 2g4fB1 THR 52 HG23 0.37 -0.02 -0.06 -0.04 1.22 1.48 2g4fB1 GLU 53 H 0.16 0.49 -0.13 -0.55 8.60 8.58 2g4fB1 GLU 53 HA -0.19 0.23 0.78 -0.75 4.29 4.36 2g4fB1 GLU 53 HB2 0.26 -0.01 -0.18 -0.04 2.09 2.12 2g4fB1 GLU 53 HB3 0.33 -0.02 0.14 -0.04 1.99 2.40 2g4fB1 GLU 53 HG2 -0.14 0.09 -0.06 -0.04 2.34 2.18 2g4fB1 GLU 53 HG3 -1.27 0.04 -0.13 -0.04 2.34 0.93 2g4fB1 PRO 54 HA 0.14 -0.03 0.45 -0.51 4.44 4.48 2g4fB1 PRO 54 HB2 0.05 -0.08 0.02 -0.04 2.28 2.23 2g4fB1 PRO 54 HB3 0.04 0.18 0.15 -0.04 2.02 2.35 2g4fB1 PRO 54 HG2 -0.01 0.02 -0.00 -0.04 2.03 1.99 2g4fB1 PRO 54 HG3 -0.00 0.00 -0.00 -0.04 2.03 1.99 2g4fB1 PRO 54 HD2 -0.07 0.29 -0.04 -0.04 3.68 3.83 2g4fB1 PRO 54 HD3 0.01 0.12 -0.40 -0.04 3.65 3.35 2g4fB1 GLN 55 H -0.01 0.39 -0.20 -0.55 8.47 8.10 2g4fB1 GLN 55 HA -0.10 0.05 0.78 -0.75 4.36 4.33 2g4fB1 GLN 55 HB2 -0.06 -0.01 -0.04 -0.04 2.15 2.00 2g4fB1 GLN 55 HB3 -0.12 0.09 0.03 -0.04 2.02 1.97 2g4fB1 GLN 55 HG2 -0.26 0.11 -0.28 -0.04 2.40 1.93 2g4fB1 GLN 55 HG3 -0.18 -0.06 0.04 -0.04 2.39 2.15 2g4fB1 GLN 55 HE21 -0.08 -0.01 -0.04 -0.04 6.97 6.80 2g4fB1 GLN 55 HE22 -0.13 0.02 -0.03 -0.04 7.69 7.51 2g4fB1 ARG 56 H -0.90 0.10 0.08 -0.55 8.46 7.18 2g4fB1 ARG 56 HA -1.43 0.10 0.26 -0.75 4.34 2.52 2g4fB1 ARG 56 HB2 -2.16 -0.04 0.06 -0.04 1.90 -0.28 2g4fB1 ARG 56 HB3 -0.78 0.01 0.13 -0.04 1.80 1.11 2g4fB1 ARG 56 HG2 -0.65 0.06 -0.22 -0.04 1.67 0.82 2g4fB1 ARG 56 HG3 -1.68 0.01 -0.03 -0.04 1.67 -0.08 2g4fB1 ARG 56 HD2 -0.43 -0.01 -0.05 -0.04 3.22 2.69 2g4fB1 ARG 56 HD3 -0.35 0.00 -0.05 -0.04 3.22 2.78 2g4fB1 GLY 57 H -0.56 0.17 0.13 -0.55 8.43 7.63 2g4fB1 GLY 57 HA2 -0.19 0.02 0.32 -0.51 4.01 3.66 2g4fB1 GLY 57 HA3 -0.21 0.11 0.56 -0.51 4.01 3.96 2g4fB1 GLN 58 H -0.38 0.37 -0.63 -0.55 8.47 7.28 2g4fB1 GLN 58 HA -0.07 0.14 0.84 -0.75 4.36 4.52 2g4fB1 GLN 58 HB2 -0.16 -0.10 0.00 -0.04 2.15 1.85 2g4fB1 GLN 58 HB3 -0.09 0.02 -0.02 -0.04 2.02 1.89 2g4fB1 GLN 58 HG2 -0.17 0.08 -0.29 -0.04 2.40 1.98 2g4fB1 GLN 58 HG3 -0.10 -0.05 -0.10 -0.04 2.39 2.10 2g4fB1 GLN 58 HE21 -0.01 -0.00 -0.01 -0.04 6.97 6.91 2g4fB1 GLN 58 HE22 -0.03 -0.02 -0.02 -0.04 7.69 7.57 2g4fB1 PHE 59 H 0.16 0.15 0.09 -0.55 8.34 8.19 2g4fB1 PHE 59 HA -0.20 0.31 0.81 -0.75 4.62 4.79 2g4fB1 PHE 59 HB2 -0.23 -0.06 0.06 -0.04 3.15 2.87 2g4fB1 PHE 59 HB3 -1.09 0.03 0.05 -0.04 3.06 2.01 2g4fB1 PHE 59 HD2 -0.06 0.07 -0.09 -0.04 7.28 7.16 2g4fB1 PHE 59 HE2 -0.02 0.01 -0.04 -0.04 7.38 7.30 2g4fB1 PHE 59 HZ 0.06 0.09 -0.08 -0.04 7.32 7.35 2g4fB1 ASN 60 H -0.33 0.64 0.26 -0.55 8.53 8.55 2g4fB1 ASN 60 HA -0.14 0.06 0.91 -0.75 4.76 4.84 2g4fB1 ASN 60 HB2 -0.07 0.05 -0.10 -0.04 2.88 2.72 2g4fB1 ASN 60 HB3 -0.07 0.17 0.17 -0.04 2.79 3.02 2g4fB1 ASN 60 HD21 0.01 -0.08 0.02 -0.04 7.03 6.94 2g4fB1 ASN 60 HD22 -0.01 0.06 0.01 -0.04 7.74 7.76 2g4fB1 PHE 61 H -0.00 0.18 0.16 -0.55 8.34 8.12 2g4fB1 PHE 61 HA 0.06 0.27 0.85 -0.75 4.62 5.04 2g4fB1 PHE 61 HB2 -0.24 0.04 0.05 -0.04 3.15 2.97 2g4fB1 PHE 61 HB3 -0.20 -0.01 0.12 -0.04 3.06 2.93 2g4fB1 PHE 61 HD2 -0.22 -0.03 -0.04 -0.04 7.28 6.95 2g4fB1 PHE 61 HE2 -0.11 0.01 -0.04 -0.04 7.38 7.20 2g4fB1 PHE 61 HZ -0.47 0.08 -0.17 -0.04 7.32 6.72 2g4fB1 SER 62 H 0.09 0.15 -0.01 -0.55 8.46 8.15 2g4fB1 SER 62 HA 0.15 0.13 0.28 -0.75 4.49 4.29 2g4fB1 SER 62 HB2 0.07 -0.03 0.15 -0.04 3.95 4.10 2g4fB1 SER 62 HB3 0.08 0.05 0.01 -0.04 3.93 4.03 2g4fB1 ALA 63 H 0.11 0.20 -0.03 -0.55 8.40 8.14 2g4fB1 ALA 63 HA 0.09 0.08 0.40 -0.75 4.34 4.16 2g4fB1 ALA 63 HB3 0.08 0.03 0.08 -0.04 1.41 1.56 2g4fB1 GLY 64 H 0.23 0.18 -0.32 -0.55 8.43 7.97 2g4fB1 GLY 64 HA2 0.20 -0.08 0.41 -0.51 4.01 4.02 2g4fB1 GLY 64 HA3 0.36 0.20 0.21 -0.51 4.01 4.27 2g4fB1 ASP 65 H 0.31 0.69 -0.05 -0.55 8.40 8.80 2g4fB1 ASP 65 HA 0.43 0.08 0.45 -0.75 4.63 4.84 2g4fB1 ASP 65 HB2 0.24 0.06 0.13 -0.04 2.71 3.09 2g4fB1 ASP 65 HB3 0.24 -0.02 0.04 -0.04 2.70 2.92 2g4fB1 ARG 66 H 0.19 0.41 -0.24 -0.55 8.46 8.27 2g4fB1 ARG 66 HA 0.16 0.07 0.30 -0.75 4.34 4.12 2g4fB1 ARG 66 HB2 0.12 0.18 0.14 -0.04 1.90 2.30 2g4fB1 ARG 66 HB3 0.10 -0.02 0.12 -0.04 1.80 1.95 2g4fB1 ARG 66 HG2 0.10 -0.01 -0.07 -0.04 1.67 1.65 2g4fB1 ARG 66 HG3 0.10 0.03 0.02 -0.04 1.67 1.78 2g4fB1 ARG 66 HD2 0.06 0.00 -0.03 -0.04 3.22 3.21 2g4fB1 ARG 66 HD3 0.04 -0.08 -0.01 -0.04 3.22 3.13 2g4fB1 VAL 67 H 0.15 0.34 -0.22 -0.55 8.24 7.96 2g4fB1 VAL 67 HA 0.14 0.03 0.47 -0.75 4.13 4.01 2g4fB1 VAL 67 HB 0.11 0.14 0.12 -0.04 2.12 2.45 2g4fB1 VAL 67 HG13 0.05 -0.01 -0.18 -0.04 0.97 0.79 2g4fB1 VAL 67 HG23 0.02 -0.01 0.02 -0.04 0.95 0.94 2g4fB1 TYR 68 H 0.28 0.51 -0.21 -0.55 8.29 8.32 2g4fB1 TYR 68 HA 0.05 0.01 0.25 -0.75 4.56 4.12 2g4fB1 TYR 68 HB2 0.05 -0.03 0.04 -0.04 3.06 3.08 2g4fB1 TYR 68 HB3 0.21 -0.01 0.17 -0.04 2.98 3.32 2g4fB1 TYR 68 HD2 0.03 -0.04 -0.12 -0.04 7.15 6.98 2g4fB1 TYR 68 HE2 0.02 0.12 -0.03 -0.04 6.85 6.92 2g4fB1 ASN 69 H 0.24 0.91 -0.09 -0.55 8.53 9.04 2g4fB1 ASN 69 HA -0.07 0.04 0.39 -0.75 4.76 4.37 2g4fB1 ASN 69 HB2 0.16 0.05 0.06 -0.04 2.88 3.11 2g4fB1 ASN 69 HB3 0.09 -0.05 -0.00 -0.04 2.79 2.79 2g4fB1 ASN 69 HD21 0.18 -0.05 -0.05 -0.04 7.03 7.06 2g4fB1 ASN 69 HD22 0.16 -0.05 -0.14 -0.04 7.74 7.68 2g4fB1 TRP 70 H 0.26 0.38 -0.36 -0.55 7.97 7.71 2g4fB1 TRP 70 HA -0.01 0.04 0.47 -0.75 4.62 4.36 2g4fB1 TRP 70 HB2 0.02 0.02 0.11 -0.04 3.23 3.34 2g4fB1 TRP 70 HB3 -0.00 0.01 0.13 -0.04 3.23 3.33 2g4fB1 TRP 70 HD1 0.02 -0.00 -0.01 -0.04 7.22 7.18 2g4fB1 TRP 70 HE1 0.01 -0.01 -0.03 -0.04 10.20 10.13 2g4fB1 TRP 70 HE3 -0.03 0.04 -0.26 -0.04 7.59 7.30 2g4fB1 TRP 70 HZ2 -0.03 0.05 0.01 -0.04 7.44 7.43 2g4fB1 TRP 70 HZ3 -0.03 0.01 -0.19 -0.04 7.13 6.88 2g4fB1 TRP 70 HH2 -0.04 -0.05 -0.35 -0.04 7.19 6.70 2g4fB1 ALA 71 H 0.24 0.61 -0.14 -0.55 8.40 8.56 2g4fB1 ALA 71 HA -0.14 -0.01 0.22 -0.75 4.34 3.66 2g4fB1 ALA 71 HB3 -0.03 0.04 -0.04 -0.04 1.41 1.33 2g4fB1 VAL 72 H -0.29 0.31 -0.33 -0.55 8.24 7.38 2g4fB1 VAL 72 HA -0.22 0.18 0.27 -0.75 4.13 3.60 2g4fB1 VAL 72 HB -0.62 0.28 0.20 -0.04 2.12 1.93 2g4fB1 VAL 72 HG13 -0.13 -0.03 -0.05 -0.04 0.97 0.73 2g4fB1 VAL 72 HG23 -0.37 -0.01 0.02 -0.04 0.95 0.55 2g4fB1 GLN 73 H -0.20 0.50 -0.04 -0.55 8.47 8.18 2g4fB1 GLN 73 HA -0.14 0.02 0.55 -0.75 4.36 4.04 2g4fB1 GLN 73 HB2 -0.21 0.16 0.14 -0.04 2.15 2.20 2g4fB1 GLN 73 HB3 -0.15 -0.09 0.09 -0.04 2.02 1.84 2g4fB1 GLN 73 HG2 -0.05 -0.07 0.07 -0.04 2.40 2.30 2g4fB1 GLN 73 HG3 -0.07 -0.04 0.10 -0.04 2.39 2.34 2g4fB1 GLN 73 HE21 0.04 -0.10 -0.06 -0.04 6.97 6.81 2g4fB1 GLN 73 HE22 -0.04 0.00 -0.01 -0.04 7.69 7.61 2g4fB1 ASN 74 H -0.44 0.33 -0.71 -0.55 8.53 7.16 2g4fB1 ASN 74 HA -0.30 0.11 0.87 -0.75 4.76 4.68 2g4fB1 ASN 74 HB2 -1.09 0.06 0.05 -0.04 2.88 1.86 2g4fB1 ASN 74 HB3 -0.56 -0.02 0.21 -0.04 2.79 2.38 2g4fB1 ASN 74 HD21 -1.13 -0.16 -0.06 -0.04 7.03 5.65 2g4fB1 ASN 74 HD22 -2.32 0.42 -0.05 -0.04 7.74 5.75 2g4fB1 GLY 75 H -0.20 0.39 -0.19 -0.55 8.43 7.88 2g4fB1 GLY 75 HA2 -0.10 -0.01 0.27 -0.51 4.01 3.66 2g4fB1 GLY 75 HA3 -0.11 0.00 0.18 -0.51 4.01 3.58 2g4fB1 LYS 76 H -0.18 0.55 -0.10 -0.55 8.42 8.14 2g4fB1 LYS 76 HA -0.05 0.21 0.95 -0.75 4.32 4.67 2g4fB1 LYS 76 HB2 -0.09 -0.09 -0.14 -0.04 1.87 1.51 2g4fB1 LYS 76 HB3 -0.03 -0.06 -0.46 -0.04 1.79 1.20 2g4fB1 LYS 76 HG2 0.07 -0.19 -0.44 -0.04 1.46 0.86 2g4fB1 LYS 76 HG3 -0.04 0.13 -0.17 -0.04 1.46 1.35 2g4fB1 LYS 76 HD2 -0.32 0.11 -0.19 -0.04 1.69 1.24 2g4fB1 LYS 76 HD3 -0.09 -0.25 -0.14 -0.04 1.68 1.16 2g4fB1 LYS 76 HE2 -0.27 -0.24 -0.02 -0.04 2.99 2.42 2g4fB1 LYS 76 HE3 0.15 -0.09 0.01 -0.04 2.99 3.01 2g4fB1 GLN 77 H -0.06 0.50 0.27 -0.55 8.47 8.63 2g4fB1 GLN 77 HA -0.07 0.18 0.77 -0.75 4.36 4.49 2g4fB1 GLN 77 HB2 -0.10 0.07 0.15 -0.04 2.15 2.24 2g4fB1 GLN 77 HB3 -0.11 -0.14 0.11 -0.04 2.02 1.84 2g4fB1 GLN 77 HG2 -0.03 0.03 0.05 -0.04 2.40 2.41 2g4fB1 GLN 77 HG3 -0.03 0.06 -0.01 -0.04 2.39 2.36 2g4fB1 GLN 77 HE21 0.01 0.03 -0.02 -0.04 6.97 6.96 2g4fB1 GLN 77 HE22 0.00 0.01 -0.03 -0.04 7.69 7.63 2g4fB1 VAL 78 H -0.09 0.18 0.22 -0.55 8.24 8.00 2g4fB1 VAL 78 HA -0.11 0.30 1.09 -0.75 4.13 4.65 2g4fB1 VAL 78 HB -0.01 0.05 0.14 -0.04 2.12 2.25 2g4fB1 VAL 78 HG13 -0.12 -0.03 -0.23 -0.04 0.97 0.55 2g4fB1 VAL 78 HG23 -0.10 0.01 -0.23 -0.04 0.95 0.60 2g4fB1 ARG 79 H -0.16 0.39 0.18 -0.55 8.46 8.32 2g4fB1 ARG 79 HA -0.26 0.19 1.05 -0.75 4.34 4.56 2g4fB1 ARG 79 HB2 -0.10 -0.09 -0.10 -0.04 1.90 1.57 2g4fB1 ARG 79 HB3 -0.12 0.05 -0.11 -0.04 1.80 1.58 2g4fB1 ARG 79 HG2 -0.18 0.03 -0.17 -0.04 1.67 1.31 2g4fB1 ARG 79 HG3 -0.18 -0.03 -0.19 -0.04 1.67 1.23 2g4fB1 ARG 79 HD2 -0.02 0.02 -0.25 -0.04 3.22 2.93 2g4fB1 ARG 79 HD3 -0.01 -0.03 -0.21 -0.04 3.22 2.93 2g4fB1 GLY 80 H -0.70 0.83 0.36 -0.55 8.43 8.37 2g4fB1 GLY 80 HA2 -0.77 0.04 0.60 -0.51 4.01 3.37 2g4fB1 GLY 80 HA3 -2.42 0.06 0.29 -0.51 4.01 1.42 2g4fB1 HIS 81 H -0.01 0.19 0.07 -0.55 8.41 8.12 2g4fB1 HIS 81 HA 0.11 0.08 0.78 -0.75 4.63 4.84 2g4fB1 HIS 81 HB2 0.03 0.01 -0.35 -0.04 3.26 2.92 2g4fB1 HIS 81 HB3 0.10 0.06 0.04 -0.04 3.20 3.36 2g4fB1 HIS 81 HD2 0.25 0.11 -0.17 -0.04 6.97 7.11 2g4fB1 HIS 81 HE1 -0.52 -0.09 -0.14 -0.04 7.75 6.95 2g4fB1 THR 82 H 0.13 0.40 0.13 -0.55 8.28 8.38 2g4fB1 THR 82 HA 0.26 0.15 0.26 -0.75 4.39 4.32 2g4fB1 THR 82 HB -0.60 -0.07 -0.03 -0.04 4.32 3.58 2g4fB1 THR 82 HG23 -0.37 -0.01 -0.24 -0.04 1.22 0.55 2g4fB1 LEU 83 H 0.13 0.47 0.17 -0.55 8.37 8.59 2g4fB1 LEU 83 HA 0.24 0.09 0.14 -0.75 4.35 4.06 2g4fB1 LEU 83 HB2 -0.04 0.19 0.22 -0.04 1.64 1.97 2g4fB1 LEU 83 HB3 -0.03 -0.04 0.02 -0.04 1.64 1.55 2g4fB1 LEU 83 HG -0.11 -0.04 -0.08 -0.04 1.64 1.37 2g4fB1 LEU 83 HD13 -0.75 -0.01 -0.07 -0.04 0.93 0.07 2g4fB1 LEU 83 HD23 -0.79 0.01 -0.15 -0.04 0.89 -0.08 2g4fB1 ALA 84 H 0.14 0.28 0.09 -0.55 8.40 8.36 2g4fB1 ALA 84 HA 0.19 0.15 0.91 -0.75 4.34 4.83 2g4fB1 ALA 84 HB3 0.34 0.01 0.04 -0.04 1.41 1.75 2g4fB1 TRP 85 H 0.19 0.37 0.12 -0.55 7.97 8.10 2g4fB1 TRP 85 HA 0.16 0.12 0.79 -0.75 4.62 4.94 2g4fB1 TRP 85 HB2 -0.01 0.01 -0.51 -0.04 3.23 2.68 2g4fB1 TRP 85 HB3 -0.09 0.17 -0.11 -0.04 3.23 3.16 2g4fB1 TRP 85 HD1 0.14 0.08 0.22 -0.04 7.22 7.62 2g4fB1 TRP 85 HE1 0.02 0.01 -0.05 -0.04 10.20 10.13 2g4fB1 TRP 85 HE3 -0.13 0.03 -0.11 -0.04 7.59 7.34 2g4fB1 TRP 85 HZ2 -0.09 -0.02 -0.08 -0.04 7.44 7.20 2g4fB1 TRP 85 HZ3 -0.06 0.02 -0.10 -0.04 7.13 6.96 2g4fB1 TRP 85 HH2 -0.05 0.01 -0.08 -0.04 7.19 7.03 2g4fB1 HIS 86 H 0.50 0.24 0.16 -0.55 8.41 8.77 2g4fB1 HIS 86 HA -0.18 0.05 0.57 -0.75 4.63 4.31 2g4fB1 HIS 86 HB2 -0.13 -0.04 0.11 -0.04 3.26 3.16 2g4fB1 HIS 86 HB3 -0.02 -0.02 0.11 -0.04 3.20 3.23 2g4fB1 HIS 86 HD2 -0.14 -0.01 -0.15 -0.04 6.97 6.63 2g4fB1 HIS 86 HE1 0.47 -0.01 0.06 -0.04 7.75 8.22 2g4fB1 SER 87 H -2.10 0.06 -0.10 -0.55 8.46 5.77 2g4fB1 SER 87 HA -0.63 0.27 1.06 -0.75 4.49 4.44 2g4fB1 SER 87 HB2 -0.75 -0.07 0.14 -0.04 3.95 3.22 2g4fB1 SER 87 HB3 -0.69 0.05 0.02 -0.04 3.93 3.27 2g4fB1 ALA 88 H -0.52 0.16 0.13 -0.55 8.40 7.63 2g4fB1 ALA 88 HA -0.26 0.06 0.29 -0.75 4.34 3.68 2g4fB1 ALA 88 HB3 -0.20 0.04 0.09 -0.04 1.41 1.30 2g4fB1 GLN 89 H -0.35 0.06 -0.29 -0.55 8.47 7.34 2g4fB1 GLN 89 HA -0.31 0.14 0.69 -0.75 4.36 4.13 2g4fB1 GLN 89 HB2 -0.31 -0.05 -0.04 -0.04 2.15 1.71 2g4fB1 GLN 89 HB3 -0.41 0.03 -0.06 -0.04 2.02 1.54 2g4fB1 GLN 89 HG2 -0.27 0.06 -0.12 -0.04 2.40 2.02 2g4fB1 GLN 89 HG3 -0.32 -0.01 -0.38 -0.04 2.39 1.63 2g4fB1 GLN 89 HE21 -0.21 -0.19 0.01 -0.04 6.97 6.54 2g4fB1 GLN 89 HE22 -0.18 0.41 0.21 -0.04 7.69 8.09 2g4fB1 PRO 90 HA -0.21 0.12 0.62 -0.51 4.44 4.45 2g4fB1 PRO 90 HB2 -0.41 -0.04 0.05 -0.04 2.28 1.83 2g4fB1 PRO 90 HB3 -0.13 0.12 0.15 -0.04 2.02 2.12 2g4fB1 PRO 90 HG2 -1.76 -0.16 -0.05 -0.04 2.03 0.02 2g4fB1 PRO 90 HG3 -0.34 0.46 -0.05 -0.04 2.03 2.06 2g4fB1 PRO 90 HD2 -0.60 0.08 0.11 -0.04 3.68 3.23 2g4fB1 PRO 90 HD3 -0.31 0.14 -0.20 -0.04 3.65 3.24 2g4fB1 GLY 91 H -0.13 0.22 0.18 -0.55 8.43 8.16 2g4fB1 GLY 91 HA2 -0.13 0.09 0.32 -0.51 4.01 3.78 2g4fB1 GLY 91 HA3 -0.05 0.10 0.36 -0.51 4.01 3.90 2g4fB1 TRP 92 H 0.09 0.16 -0.05 -0.55 7.97 7.62 2g4fB1 TRP 92 HA -0.05 0.08 0.37 -0.75 4.62 4.26 2g4fB1 TRP 92 HB2 -0.06 0.03 0.05 -0.04 3.23 3.22 2g4fB1 TRP 92 HB3 -0.06 0.01 0.11 -0.04 3.23 3.25 2g4fB1 TRP 92 HD1 -0.07 0.12 0.04 -0.04 7.22 7.26 2g4fB1 TRP 92 HE1 -0.11 0.32 -0.52 -0.04 10.20 9.85 2g4fB1 TRP 92 HE3 -0.06 -0.01 -0.40 -0.04 7.59 7.08 2g4fB1 TRP 92 HZ2 -0.13 0.20 -0.09 -0.04 7.44 7.38 2g4fB1 TRP 92 HZ3 -0.05 -0.02 -0.10 -0.04 7.13 6.93 2g4fB1 TRP 92 HH2 -0.05 0.05 -0.07 -0.04 7.19 7.08 2g4fB1 MET 93 H -1.04 0.22 -0.57 -0.55 8.47 6.53 2g4fB1 MET 93 HA -0.39 0.11 0.57 -0.75 4.52 4.06 2g4fB1 MET 93 HB2 -1.96 -0.01 -0.03 -0.04 2.15 0.12 2g4fB1 MET 93 HB3 -0.81 0.06 0.00 -0.04 2.03 1.24 2g4fB1 MET 93 HG2 -0.35 -0.00 -0.14 -0.04 2.63 2.09 2g4fB1 MET 93 HG3 -0.37 -0.02 -0.00 -0.04 2.56 2.12 2g4fB1 MET 93 HE3 -0.28 0.01 -0.08 -0.04 2.10 1.71 2g4fB1 GLN 94 H -0.33 0.46 -0.02 -0.55 8.47 8.03 2g4fB1 GLN 94 HA -0.19 -0.00 0.46 -0.75 4.36 3.87 2g4fB1 GLN 94 HB2 -0.15 0.08 0.11 -0.04 2.15 2.15 2g4fB1 GLN 94 HB3 -0.13 -0.04 0.03 -0.04 2.02 1.84 2g4fB1 GLN 94 HG2 -0.19 -0.04 0.03 -0.04 2.40 2.16 2g4fB1 GLN 94 HG3 -0.26 0.06 -0.11 -0.04 2.39 2.04 2g4fB1 GLN 94 HE21 -0.14 -0.04 0.00 -0.04 6.97 6.75 2g4fB1 GLN 94 HE22 -0.18 -0.06 0.03 -0.04 7.69 7.43 2g4fB1 SER 95 H -0.09 0.32 -0.41 -0.55 8.46 7.73 2g4fB1 SER 95 HA -0.04 0.02 0.31 -0.75 4.49 4.03 2g4fB1 SER 95 HB2 0.03 0.13 -0.01 -0.04 3.95 4.06 2g4fB1 SER 95 HB3 0.01 -0.06 0.06 -0.04 3.93 3.89 2g4fB1 LEU 96 H -0.06 0.37 -0.52 -0.55 8.37 7.61 2g4fB1 LEU 96 HA 0.01 0.06 0.67 -0.75 4.35 4.34 2g4fB1 LEU 96 HB2 -0.01 0.11 0.06 -0.04 1.64 1.75 2g4fB1 LEU 96 HB3 0.03 -0.13 -0.07 -0.04 1.64 1.43 2g4fB1 LEU 96 HG 0.13 0.23 0.02 -0.04 1.64 1.99 2g4fB1 LEU 96 HD13 0.30 -0.03 -0.09 -0.04 0.93 1.07 2g4fB1 LEU 96 HD23 0.08 -0.02 -0.06 -0.04 0.89 0.85 2g4fB1 SER 97 H -0.01 0.14 0.20 -0.55 8.46 8.25 2g4fB1 SER 97 HA -0.06 0.21 0.72 -0.75 4.49 4.61 2g4fB1 SER 97 HB2 -0.04 -0.02 0.13 -0.04 3.95 3.98 2g4fB1 SER 97 HB3 -0.04 0.12 -0.14 -0.04 3.93 3.83 2g4fB1 GLY 98 H -0.04 0.24 0.09 -0.55 8.43 8.18 2g4fB1 GLY 98 HA2 -0.01 0.19 0.39 -0.51 4.01 4.07 2g4fB1 GLY 98 HA3 -0.01 -0.01 0.31 -0.51 4.01 3.80 2g4fB1 SER 99 H 0.01 0.16 0.23 -0.55 8.46 8.32 2g4fB1 SER 99 HA 0.02 0.11 0.35 -0.75 4.49 4.21 2g4fB1 SER 99 HB2 0.02 0.05 0.08 -0.04 3.95 4.06 2g4fB1 SER 99 HB3 0.02 0.05 0.14 -0.04 3.93 4.10 2g4fB1 THR 100 H 0.01 0.13 0.04 -0.55 8.28 7.91 2g4fB1 THR 100 HA 0.03 0.08 0.48 -0.75 4.39 4.23 2g4fB1 THR 100 HB 0.03 0.06 0.11 -0.04 4.32 4.48 2g4fB1 THR 100 HG23 0.04 0.01 0.01 -0.04 1.22 1.24 2g4fB1 LEU 101 H 0.01 0.53 -0.35 -0.55 8.37 8.02 2g4fB1 LEU 101 HA 0.04 0.04 0.29 -0.75 4.35 3.97 2g4fB1 LEU 101 HB2 -0.03 -0.02 -0.47 -0.04 1.64 1.07 2g4fB1 LEU 101 HB3 -0.04 0.12 -0.33 -0.04 1.64 1.34 2g4fB1 LEU 101 HG -0.08 -0.04 -0.40 -0.04 1.64 1.08 2g4fB1 LEU 101 HD13 -0.09 0.01 -0.04 -0.04 0.93 0.77 2g4fB1 LEU 101 HD23 -0.15 0.08 -0.30 -0.04 0.89 0.48 2g4fB1 ARG 102 H 0.02 0.44 -0.17 -0.55 8.46 8.19 2g4fB1 ARG 102 HA 0.05 0.01 0.41 -0.75 4.34 4.06 2g4fB1 ARG 102 HB2 0.04 0.04 0.09 -0.04 1.90 2.03 2g4fB1 ARG 102 HB3 0.04 0.15 0.19 -0.04 1.80 2.14 2g4fB1 ARG 102 HG2 0.06 -0.00 -0.03 -0.04 1.67 1.66 2g4fB1 ARG 102 HG3 0.06 0.01 -0.25 -0.04 1.67 1.45 2g4fB1 ARG 102 HD2 0.10 0.01 -0.07 -0.04 3.22 3.22 2g4fB1 ARG 102 HD3 0.11 -0.05 0.04 -0.04 3.22 3.28 2g4fB1 GLN 103 H 0.05 0.56 -0.21 -0.55 8.47 8.32 2g4fB1 GLN 103 HA 0.06 0.02 0.34 -0.75 4.36 4.03 2g4fB1 GLN 103 HB2 0.04 0.05 0.13 -0.04 2.15 2.33 2g4fB1 GLN 103 HB3 0.05 0.09 0.11 -0.04 2.02 2.22 2g4fB1 GLN 103 HG2 0.03 -0.00 0.01 -0.04 2.40 2.39 2g4fB1 GLN 103 HG3 0.05 -0.02 -0.04 -0.04 2.39 2.33 2g4fB1 GLN 103 HE21 0.04 0.03 -0.01 -0.04 6.97 6.99 2g4fB1 GLN 103 HE22 0.04 -0.00 0.00 -0.04 7.69 7.69 2g4fB1 ALA 104 H 0.10 0.44 -0.23 -0.55 8.40 8.16 2g4fB1 ALA 104 HA 0.17 0.01 0.34 -0.75 4.34 4.11 2g4fB1 ALA 104 HB3 0.30 0.02 0.07 -0.04 1.41 1.76 2g4fB1 MET 105 H 0.10 0.67 -0.11 -0.55 8.47 8.58 2g4fB1 MET 105 HA 0.13 0.01 0.48 -0.75 4.52 4.40 2g4fB1 MET 105 HB2 0.06 -0.03 0.09 -0.04 2.15 2.22 2g4fB1 MET 105 HB3 0.11 0.17 0.17 -0.04 2.03 2.43 2g4fB1 MET 105 HG2 0.16 0.02 -0.25 -0.04 2.63 2.51 2g4fB1 MET 105 HG3 0.16 -0.03 0.04 -0.04 2.56 2.69 2g4fB1 MET 105 HE3 0.22 0.03 -0.06 -0.04 2.10 2.24 2g4fB1 ILE 106 H 0.11 0.55 -0.16 -0.55 8.25 8.20 2g4fB1 ILE 106 HA 0.07 0.01 0.37 -0.75 4.18 3.87 2g4fB1 ILE 106 HB 0.07 0.10 0.16 -0.04 1.89 2.18 2g4fB1 ILE 106 HG12 0.06 -0.00 -0.02 -0.04 1.49 1.49 2g4fB1 ILE 106 HG13 0.09 0.01 0.00 -0.04 1.21 1.27 2g4fB1 ILE 106 HG23 0.04 -0.01 -0.13 -0.04 0.93 0.79 2g4fB1 ILE 106 HD13 0.06 -0.02 -0.08 -0.04 0.88 0.79 2g4fB1 ASP 107 H 0.12 0.75 -0.06 -0.55 8.40 8.67 2g4fB1 ASP 107 HA 0.10 0.01 0.44 -0.75 4.63 4.43 2g4fB1 ASP 107 HB2 0.17 0.07 0.15 -0.04 2.71 3.06 2g4fB1 ASP 107 HB3 0.17 -0.07 0.00 -0.04 2.70 2.76 2g4fB1 HIS 108 H 0.29 0.53 -0.30 -0.55 8.41 8.38 2g4fB1 HIS 108 HA 0.42 -0.02 0.36 -0.75 4.63 4.64 2g4fB1 HIS 108 HB2 0.23 0.01 0.14 -0.04 3.26 3.60 2g4fB1 HIS 108 HB3 0.14 0.14 0.24 -0.04 3.20 3.67 2g4fB1 HIS 108 HD2 0.10 0.25 0.08 -0.04 6.97 7.35 2g4fB1 HIS 108 HE1 0.23 -0.05 -0.06 -0.04 7.75 7.84 2g4fB1 ILE 109 H 0.13 0.53 -0.09 -0.55 8.25 8.27 2g4fB1 ILE 109 HA -0.18 -0.05 0.27 -0.75 4.18 3.47 2g4fB1 ILE 109 HB -0.01 0.11 0.18 -0.04 1.89 2.13 2g4fB1 ILE 109 HG12 -0.05 -0.09 0.00 -0.04 1.49 1.31 2g4fB1 ILE 109 HG13 0.09 0.17 0.11 -0.04 1.21 1.54 2g4fB1 ILE 109 HG23 -0.16 -0.00 -0.13 -0.04 0.93 0.60 2g4fB1 ILE 109 HD13 0.03 -0.00 -0.01 -0.04 0.88 0.85 2g4fB1 ASN 110 H -0.01 0.54 -0.07 -0.55 8.53 8.45 2g4fB1 ASN 110 HA -0.08 0.02 0.30 -0.75 4.76 4.24 2g4fB1 ASN 110 HB2 0.02 0.08 0.13 -0.04 2.88 3.07 2g4fB1 ASN 110 HB3 -0.02 -0.03 -0.00 -0.04 2.79 2.69 2g4fB1 ASN 110 HD21 0.01 -0.05 -0.04 -0.04 7.03 6.90 2g4fB1 ASN 110 HD22 0.02 -0.05 -0.07 -0.04 7.74 7.60 2g4fB1 GLY 111 H -0.08 0.51 -0.39 -0.55 8.43 7.92 2g4fB1 GLY 111 HA2 -0.30 0.03 0.40 -0.51 4.01 3.63 2g4fB1 GLY 111 HA3 -0.69 0.03 0.30 -0.51 4.01 3.14 2g4fB1 VAL 112 H -0.25 0.69 0.08 -0.55 8.24 8.21 2g4fB1 VAL 112 HA 0.10 0.02 0.45 -0.75 4.13 3.95 2g4fB1 VAL 112 HB -0.27 0.08 0.09 -0.04 2.12 1.98 2g4fB1 VAL 112 HG13 0.27 -0.02 -0.20 -0.04 0.97 0.98 2g4fB1 VAL 112 HG23 -0.03 0.01 -0.06 -0.04 0.95 0.83 2g4fB1 MET 113 H -0.26 0.69 0.03 -0.55 8.47 8.39 2g4fB1 MET 113 HA -0.01 -0.03 0.23 -0.75 4.52 3.95 2g4fB1 MET 113 HB2 -0.19 0.09 -0.09 -0.04 2.15 1.92 2g4fB1 MET 113 HB3 -0.16 0.01 -0.15 -0.04 2.03 1.69 2g4fB1 MET 113 HG2 -1.23 -0.09 -0.07 -0.04 2.63 1.20 2g4fB1 MET 113 HG3 -0.56 0.08 0.02 -0.04 2.56 2.07 2g4fB1 MET 113 HE3 -0.19 0.04 -0.07 -0.04 2.10 1.85 2g4fB1 GLY 114 H -0.13 0.38 -0.38 -0.55 8.43 7.75 2g4fB1 GLY 114 HA2 -0.08 0.04 0.41 -0.51 4.01 3.87 2g4fB1 GLY 114 HA3 -0.11 0.12 0.33 -0.51 4.01 3.83 2g4fB1 HIS 115 H -0.19 0.41 -0.28 -0.55 8.41 7.80 2g4fB1 HIS 115 HA -0.39 0.01 0.40 -0.75 4.63 3.89 2g4fB1 HIS 115 HB2 -0.84 0.02 0.13 -0.04 3.26 2.54 2g4fB1 HIS 115 HB3 -1.16 0.12 0.11 -0.04 3.20 2.23 2g4fB1 HIS 115 HD2 -2.45 0.00 -0.19 -0.04 6.97 4.28 2g4fB1 HIS 115 HE1 -0.14 -0.05 -0.00 -0.04 7.75 7.51 2g4fB1 TYR 116 H -0.00 0.37 -0.36 -0.55 8.29 7.74 2g4fB1 TYR 116 HA -0.23 0.17 0.80 -0.75 4.56 4.54 2g4fB1 TYR 116 HB2 0.30 0.05 0.00 -0.04 3.06 3.38 2g4fB1 TYR 116 HB3 0.05 -0.12 0.06 -0.04 2.98 2.94 2g4fB1 TYR 116 HD2 -0.10 0.10 -0.09 -0.04 7.15 7.03 2g4fB1 TYR 116 HE2 0.10 -0.04 -0.10 -0.04 6.85 6.76 2g4fB1 LYS 117 H -0.07 0.32 -0.33 -0.55 8.42 7.79 2g4fB1 LYS 117 HA 0.08 -0.07 0.21 -0.75 4.32 3.79 2g4fB1 LYS 117 HB2 -0.03 0.21 0.20 -0.04 1.87 2.20 2g4fB1 LYS 117 HB3 -0.04 -0.06 0.12 -0.04 1.79 1.78 2g4fB1 LYS 117 HG2 0.01 -0.09 -0.04 -0.04 1.46 1.30 2g4fB1 LYS 117 HG3 0.01 0.03 0.14 -0.04 1.46 1.60 2g4fB1 LYS 117 HD2 -0.03 0.06 0.11 -0.04 1.69 1.79 2g4fB1 LYS 117 HD3 -0.02 -0.08 0.04 -0.04 1.68 1.58 2g4fB1 LYS 117 HE2 0.00 -0.12 0.04 -0.04 2.99 2.88 2g4fB1 LYS 117 HE3 -0.00 0.27 0.10 -0.04 2.99 3.32 2g4fB1 GLY 118 H 0.09 0.09 0.18 -0.55 8.43 8.24 2g4fB1 GLY 118 HA2 0.06 -0.02 0.32 -0.51 4.01 3.86 2g4fB1 GLY 118 HA3 0.03 0.07 0.35 -0.51 4.01 3.96 2g4fB1 LYS 119 H 0.08 0.40 -0.22 -0.55 8.42 8.13 2g4fB1 LYS 119 HA 0.09 0.20 0.89 -0.75 4.32 4.74 2g4fB1 LYS 119 HB2 -0.03 0.07 -0.10 -0.04 1.87 1.77 2g4fB1 LYS 119 HB3 0.11 -0.09 0.06 -0.04 1.79 1.83 2g4fB1 LYS 119 HG2 0.03 0.00 -0.20 -0.04 1.46 1.25 2g4fB1 LYS 119 HG3 -0.03 0.26 -0.38 -0.04 1.46 1.27 2g4fB1 LYS 119 HD2 -0.36 -0.04 -0.07 -0.04 1.69 1.17 2g4fB1 LYS 119 HD3 -0.06 -0.07 -0.05 -0.04 1.68 1.46 2g4fB1 LYS 119 HE2 -0.17 0.11 -0.08 -0.04 2.99 2.81 2g4fB1 LYS 119 HE3 -0.20 -0.07 -0.03 -0.04 2.99 2.65 2g4fB1 ILE 120 H 0.09 0.09 -0.03 -0.55 8.25 7.85 2g4fB1 ILE 120 HA -0.07 0.15 0.87 -0.75 4.18 4.37 2g4fB1 ILE 120 HB 0.05 -0.01 -0.00 -0.04 1.89 1.88 2g4fB1 ILE 120 HG12 0.05 0.10 -0.18 -0.04 1.49 1.42 2g4fB1 ILE 120 HG13 -0.05 -0.05 -0.11 -0.04 1.21 0.97 2g4fB1 ILE 120 HG23 -0.97 -0.04 -0.26 -0.04 0.93 -0.39 2g4fB1 ILE 120 HD13 -0.38 0.01 -0.19 -0.04 0.88 0.28 2g4fB1 ALA 121 H -0.08 0.30 0.24 -0.55 8.40 8.31 2g4fB1 ALA 121 HA 0.01 0.12 0.39 -0.75 4.34 4.11 2g4fB1 ALA 121 HB3 -0.07 -0.01 0.05 -0.04 1.41 1.35 2g4fB1 GLN 122 H -0.14 0.22 0.14 -0.55 8.47 8.14 2g4fB1 GLN 122 HA 0.07 0.36 0.98 -0.75 4.36 5.01 2g4fB1 GLN 122 HB2 -0.04 -0.13 -0.07 -0.04 2.15 1.87 2g4fB1 GLN 122 HB3 0.05 0.01 -0.17 -0.04 2.02 1.87 2g4fB1 GLN 122 HG2 0.09 0.05 -0.18 -0.04 2.40 2.31 2g4fB1 GLN 122 HG3 0.03 0.02 -0.50 -0.04 2.39 1.90 2g4fB1 GLN 122 HE21 0.19 -0.01 -0.22 -0.04 6.97 6.89 2g4fB1 GLN 122 HE22 0.01 0.04 -0.20 -0.04 7.69 7.51 2g4fB1 TRP 123 H 0.26 0.85 0.27 -0.55 7.97 8.80 2g4fB1 TRP 123 HA 0.03 0.10 0.94 -0.75 4.62 4.93 2g4fB1 TRP 123 HB2 0.03 0.11 0.00 -0.04 3.23 3.34 2g4fB1 TRP 123 HB3 0.01 -0.06 -0.22 -0.04 3.23 2.92 2g4fB1 TRP 123 HD1 0.03 0.09 -0.19 -0.04 7.22 7.10 2g4fB1 TRP 123 HE1 0.03 0.07 -0.13 -0.04 10.20 10.14 2g4fB1 TRP 123 HE3 0.03 0.08 -0.23 -0.04 7.59 7.42 2g4fB1 TRP 123 HZ2 0.06 0.09 -0.19 -0.04 7.44 7.36 2g4fB1 TRP 123 HZ3 0.06 -0.01 -0.31 -0.04 7.13 6.82 2g4fB1 TRP 123 HH2 0.06 0.03 -0.16 -0.04 7.19 7.07 2g4fB1 ASP 124 H 0.25 0.77 0.16 -0.55 8.40 9.04 2g4fB1 ASP 124 HA 0.11 0.11 0.75 -0.75 4.63 4.85 2g4fB1 ASP 124 HB2 0.15 -0.07 0.21 -0.04 2.71 2.96 2g4fB1 ASP 124 HB3 -0.00 -0.03 -0.09 -0.04 2.70 2.54 2g4fB1 VAL 125 H 0.06 0.60 0.20 -0.55 8.24 8.56 2g4fB1 VAL 125 HA -0.06 0.02 0.38 -0.75 4.13 3.72 2g4fB1 VAL 125 HB -0.85 0.04 0.13 -0.04 2.12 1.40 2g4fB1 VAL 125 HG13 -0.50 -0.00 -0.27 -0.04 0.97 0.15 2g4fB1 VAL 125 HG23 -0.11 0.03 0.00 -0.04 0.95 0.84 2g4fB1 VAL 126 H -0.04 0.30 0.22 -0.55 8.24 8.18 2g4fB1 VAL 126 HA 0.13 0.34 0.96 -0.75 4.13 4.80 2g4fB1 VAL 126 HB 0.38 -0.05 0.08 -0.04 2.12 2.48 2g4fB1 VAL 126 HG13 0.11 -0.02 -0.11 -0.04 0.97 0.91 2g4fB1 VAL 126 HG23 -0.20 0.01 -0.12 -0.04 0.95 0.60 2g4fB1 ASN 127 H 0.17 0.51 0.22 -0.55 8.53 8.89 2g4fB1 ASN 127 HA -0.30 0.21 0.94 -0.75 4.76 4.86 2g4fB1 ASN 127 HB2 -0.44 0.03 -0.23 -0.04 2.88 2.20 2g4fB1 ASN 127 HB3 -1.00 -0.02 0.06 -0.04 2.79 1.79 2g4fB1 ASN 127 HD21 -1.26 -0.02 -0.13 -0.04 7.03 5.58 2g4fB1 ASN 127 HD22 -3.88 -0.01 -0.13 -0.04 7.74 3.68 2g4fB1 GLU 128 H -0.19 0.71 0.38 -0.55 8.60 8.95 2g4fB1 GLU 128 HA 0.14 -0.05 0.47 -0.75 4.29 4.10 2g4fB1 GLU 128 HB2 0.68 0.13 -0.12 -0.04 2.09 2.74 2g4fB1 GLU 128 HB3 0.52 0.02 0.16 -0.04 1.99 2.65 2g4fB1 GLU 128 HG2 0.28 -0.14 0.06 -0.04 2.34 2.50 2g4fB1 GLU 128 HG3 -0.08 -0.01 -0.19 -0.04 2.34 2.02 2g4fB1 ALA 129 H 0.55 0.10 -0.02 -0.55 8.40 8.47 2g4fB1 ALA 129 HA 0.42 0.17 0.74 -0.75 4.34 4.91 2g4fB1 ALA 129 HB3 0.31 0.01 -0.00 -0.04 1.41 1.69 2g4fB1 PHE 130 H 0.45 0.02 -0.05 -0.55 8.34 8.20 2g4fB1 PHE 130 HA 0.05 0.10 0.80 -0.75 4.62 4.82 2g4fB1 PHE 130 HB2 0.05 -0.06 0.00 -0.04 3.15 3.10 2g4fB1 PHE 130 HB3 0.01 0.08 -0.03 -0.04 3.06 3.07 2g4fB1 PHE 130 HD2 0.03 -0.05 -0.25 -0.04 7.28 6.97 2g4fB1 PHE 130 HE2 -0.25 0.07 -0.10 -0.04 7.38 7.06 2g4fB1 PHE 130 HZ -0.21 0.06 -0.09 -0.04 7.32 7.04 2g4fB1 SER 131 H 0.11 0.61 0.13 -0.55 8.46 8.77 2g4fB1 SER 131 HA 0.02 0.11 0.43 -0.75 4.49 4.29 2g4fB1 SER 131 HB2 -0.01 0.10 -0.11 -0.04 3.95 3.89 2g4fB1 SER 131 HB3 0.03 0.12 -0.10 -0.04 3.93 3.94 2g4fB1 ASP 132 H 0.01 0.18 0.16 -0.55 8.40 8.21 2g4fB1 ASP 132 HA -0.05 0.20 0.91 -0.75 4.63 4.95 2g4fB1 ASP 132 HB2 0.02 0.03 0.09 -0.04 2.71 2.81 2g4fB1 ASP 132 HB3 -0.03 0.04 0.18 -0.04 2.70 2.85 2g4fB1 ASP 133 H -0.00 0.06 -0.04 -0.55 8.40 7.87 2g4fB1 ASP 133 HA -0.02 0.18 0.34 -0.75 4.63 4.38 2g4fB1 ASP 133 HB2 -0.01 0.11 0.16 -0.04 2.71 2.93 2g4fB1 ASP 133 HB3 -0.01 0.01 0.11 -0.04 2.70 2.78 2g4fB1 GLY 134 H -0.02 0.03 -0.82 -0.55 8.43 7.07 2g4fB1 GLY 134 HA2 -0.03 -0.05 0.29 -0.51 4.01 3.71 2g4fB1 GLY 134 HA3 -0.02 0.23 0.51 -0.51 4.01 4.21 2g4fB1 SER 135 H 0.01 -0.01 -0.42 -0.55 8.46 7.50 2g4fB1 SER 135 HA 0.01 0.24 0.56 -0.75 4.49 4.56 2g4fB1 SER 135 HB2 0.02 0.09 0.04 -0.04 3.95 4.06 2g4fB1 SER 135 HB3 0.01 0.09 -0.01 -0.04 3.93 3.98 2g4fB1 GLY 136 H 0.05 -0.05 -0.31 -0.55 8.43 7.57 2g4fB1 GLY 136 HA2 0.10 -0.04 -0.03 -0.51 4.01 3.53 2g4fB1 GLY 136 HA3 0.06 0.21 0.42 -0.51 4.01 4.19 2g4fB1 GLY 137 H 0.08 -0.13 -0.40 -0.55 8.43 7.43 2g4fB1 GLY 137 HA2 0.08 0.23 0.53 -0.51 4.01 4.34 2g4fB1 GLY 137 HA3 0.02 0.05 0.21 -0.51 4.01 3.78 2g4fB1 ARG 138 H -0.12 0.14 0.11 -0.55 8.46 8.04 2g4fB1 ARG 138 HA -0.56 0.07 0.52 -0.75 4.34 3.62 2g4fB1 ARG 138 HB2 -0.08 -0.04 0.08 -0.04 1.90 1.81 2g4fB1 ARG 138 HB3 -0.06 0.15 0.04 -0.04 1.80 1.88 2g4fB1 ARG 138 HG2 -0.28 -0.04 0.07 -0.04 1.67 1.37 2g4fB1 ARG 138 HG3 -0.09 0.02 0.06 -0.04 1.67 1.61 2g4fB1 ARG 138 HD2 -0.25 0.01 0.02 -0.04 3.22 2.96 2g4fB1 ARG 138 HD3 -1.23 -0.03 -0.10 -0.04 3.22 1.82 2g4fB1 ARG 139 H -0.09 0.82 0.44 -0.55 8.46 9.08 2g4fB1 ARG 139 HA -0.04 -0.07 0.49 -0.75 4.34 3.97 2g4fB1 ARG 139 HB2 -0.03 0.02 -0.42 -0.04 1.90 1.43 2g4fB1 ARG 139 HB3 -0.00 0.14 -0.04 -0.04 1.80 1.86 2g4fB1 ARG 139 HG2 -0.15 -0.00 -0.49 -0.04 1.67 0.99 2g4fB1 ARG 139 HG3 -0.14 -0.07 -0.07 -0.04 1.67 1.35 2g4fB1 ARG 139 HD2 -0.51 -0.03 -0.05 -0.04 3.22 2.59 2g4fB1 ARG 139 HD3 -0.88 -0.04 -0.08 -0.04 3.22 2.18 2g4fB1 ASP 140 H -0.05 0.10 0.12 -0.55 8.40 8.02 2g4fB1 ASP 140 HA -0.04 0.10 0.58 -0.75 4.63 4.52 2g4fB1 ASP 140 HB2 -0.03 0.04 0.06 -0.04 2.71 2.74 2g4fB1 ASP 140 HB3 -0.04 -0.04 0.22 -0.04 2.70 2.80 2g4fB1 SER 141 H -0.09 0.18 0.23 -0.55 8.46 8.23 2g4fB1 SER 141 HA -0.09 0.26 0.83 -0.75 4.49 4.73 2g4fB1 SER 141 HB2 -0.09 0.00 0.14 -0.04 3.95 3.96 2g4fB1 SER 141 HB3 -0.09 0.09 -0.16 -0.04 3.93 3.73 2g4fB1 ASN 142 H -0.14 0.24 0.17 -0.55 8.53 8.25 2g4fB1 ASN 142 HA -0.13 0.09 0.48 -0.75 4.76 4.45 2g4fB1 ASN 142 HB2 -0.13 0.15 0.15 -0.04 2.88 3.01 2g4fB1 ASN 142 HB3 -0.12 0.06 0.18 -0.04 2.79 2.88 2g4fB1 ASN 142 HD21 -0.20 -0.07 -0.04 -0.04 7.03 6.68 2g4fB1 ASN 142 HD22 -0.15 0.37 0.14 -0.04 7.74 8.07 2g4fB1 LEU 143 H -0.35 0.06 -0.19 -0.55 8.37 7.33 2g4fB1 LEU 143 HA -0.51 0.12 0.24 -0.75 4.35 3.45 2g4fB1 LEU 143 HB2 -1.05 -0.09 -0.02 -0.04 1.64 0.43 2g4fB1 LEU 143 HB3 -2.32 0.05 -0.14 -0.04 1.64 -0.82 2g4fB1 LEU 143 HG -0.37 -0.01 -0.05 -0.04 1.64 1.16 2g4fB1 LEU 143 HD13 -0.25 0.01 -0.26 -0.04 0.93 0.38 2g4fB1 LEU 143 HD23 -0.26 0.03 -0.09 -0.04 0.89 0.53 2g4fB1 GLN 144 H -0.49 0.00 -0.15 -0.55 8.47 7.28 2g4fB1 GLN 144 HA -0.10 0.10 0.45 -0.75 4.36 4.06 2g4fB1 GLN 144 HB2 0.14 0.06 0.16 -0.04 2.15 2.47 2g4fB1 GLN 144 HB3 -0.06 -0.23 0.24 -0.04 2.02 1.92 2g4fB1 GLN 144 HG2 0.03 0.09 -0.09 -0.04 2.40 2.39 2g4fB1 GLN 144 HG3 0.04 -0.02 -0.22 -0.04 2.39 2.15 2g4fB1 GLN 144 HE21 0.10 -0.02 0.05 -0.04 6.97 7.06 2g4fB1 GLN 144 HE22 0.07 -0.00 -0.05 -0.04 7.69 7.67 2g4fB1 ARG 145 H -0.16 0.57 -0.21 -0.55 8.46 8.11 2g4fB1 ARG 145 HA -0.04 -0.01 0.36 -0.75 4.34 3.90 2g4fB1 ARG 145 HB2 -0.10 0.16 0.17 -0.04 1.90 2.09 2g4fB1 ARG 145 HB3 -0.06 -0.08 0.12 -0.04 1.80 1.75 2g4fB1 ARG 145 HG2 -0.04 -0.03 0.04 -0.04 1.67 1.61 2g4fB1 ARG 145 HG3 -0.06 -0.04 -0.01 -0.04 1.67 1.51 2g4fB1 ARG 145 HD2 -0.06 0.00 -0.01 -0.04 3.22 3.11 2g4fB1 ARG 145 HD3 -0.04 -0.01 -0.03 -0.04 3.22 3.10 2g4fB1 THR 146 H -0.15 0.46 -0.69 -0.55 8.28 7.35 2g4fB1 THR 146 HA -0.02 -0.01 0.80 -0.75 4.39 4.41 2g4fB1 THR 146 HB 0.01 -0.09 0.11 -0.04 4.32 4.31 2g4fB1 THR 146 HG23 -0.11 -0.01 -0.05 -0.04 1.22 1.01 2g4fB1 GLY 147 H 0.04 0.50 -0.19 -0.55 8.43 8.23 2g4fB1 GLY 147 HA2 0.07 -0.03 0.38 -0.51 4.01 3.93 2g4fB1 GLY 147 HA3 0.10 0.17 0.82 -0.51 4.01 4.59 2g4fB1 ASN 148 H 0.10 0.17 0.17 -0.55 8.53 8.42 2g4fB1 ASN 148 HA 0.21 0.11 0.51 -0.75 4.76 4.83 2g4fB1 ASN 148 HB2 0.07 0.02 0.18 -0.04 2.88 3.10 2g4fB1 ASN 148 HB3 0.06 0.04 0.09 -0.04 2.79 2.94 2g4fB1 ASN 148 HD21 0.01 0.02 0.01 -0.04 7.03 7.02 2g4fB1 ASN 148 HD22 0.04 0.03 -0.04 -0.04 7.74 7.73 2g4fB1 ASP 149 H 0.12 0.12 -0.22 -0.55 8.40 7.88 2g4fB1 ASP 149 HA 0.06 0.08 0.33 -0.75 4.63 4.35 2g4fB1 ASP 149 HB2 0.05 0.01 0.09 -0.04 2.71 2.82 2g4fB1 ASP 149 HB3 0.06 0.05 0.06 -0.04 2.70 2.82 2g4fB1 TRP 150 H 0.34 0.41 -0.72 -0.55 7.97 7.45 2g4fB1 TRP 150 HA 0.05 0.06 0.09 -0.75 4.62 4.07 2g4fB1 TRP 150 HB2 0.05 -0.04 -0.03 -0.04 3.23 3.17 2g4fB1 TRP 150 HB3 0.04 0.19 -0.01 -0.04 3.23 3.40 2g4fB1 TRP 150 HD1 0.02 0.36 0.13 -0.04 7.22 7.68 2g4fB1 TRP 150 HE1 -0.01 -0.02 -0.02 -0.04 10.20 10.11 2g4fB1 TRP 150 HE3 0.07 0.03 -0.23 -0.04 7.59 7.42 2g4fB1 TRP 150 HZ2 0.08 0.01 -0.04 -0.04 7.44 7.45 2g4fB1 TRP 150 HZ3 0.11 0.02 -0.18 -0.04 7.13 7.04 2g4fB1 TRP 150 HH2 0.19 0.01 -0.17 -0.04 7.19 7.18 2g4fB1 ILE 151 H -0.58 0.23 -0.21 -0.55 8.25 7.14 2g4fB1 ILE 151 HA -0.60 0.06 0.30 -0.75 4.18 3.19 2g4fB1 ILE 151 HB -0.14 0.03 0.09 -0.04 1.89 1.83 2g4fB1 ILE 151 HG12 -1.79 -0.03 -0.04 -0.04 1.49 -0.41 2g4fB1 ILE 151 HG13 -1.70 0.03 0.03 -0.04 1.21 -0.48 2g4fB1 ILE 151 HG23 0.19 0.01 -0.14 -0.04 0.93 0.95 2g4fB1 ILE 151 HD13 -0.36 0.00 -0.03 -0.04 0.88 0.45 2g4fB1 GLU 152 H 0.01 0.09 -0.17 -0.55 8.60 7.98 2g4fB1 GLU 152 HA -0.22 0.08 0.32 -0.75 4.29 3.71 2g4fB1 GLU 152 HB2 -0.68 0.03 0.05 -0.04 2.09 1.44 2g4fB1 GLU 152 HB3 -0.08 -0.02 0.10 -0.04 1.99 1.95 2g4fB1 GLU 152 HG2 -0.13 0.03 -0.35 -0.04 2.34 1.85 2g4fB1 GLU 152 HG3 -0.38 0.04 -0.04 -0.04 2.34 1.92 2g4fB1 VAL 153 H 0.03 0.65 -0.17 -0.55 8.24 8.20 2g4fB1 VAL 153 HA 0.02 0.03 0.48 -0.75 4.13 3.91 2g4fB1 VAL 153 HB 0.12 0.05 0.04 -0.04 2.12 2.29 2g4fB1 VAL 153 HG13 0.07 -0.01 -0.13 -0.04 0.97 0.86 2g4fB1 VAL 153 HG23 0.06 0.03 -0.03 -0.04 0.95 0.97 2g4fB1 ALA 154 H 0.08 0.60 -0.17 -0.55 8.40 8.36 2g4fB1 ALA 154 HA 0.04 -0.00 0.46 -0.75 4.34 4.08 2g4fB1 ALA 154 HB3 0.01 0.03 0.06 -0.04 1.41 1.47 2g4fB1 PHE 155 H 0.14 0.53 -0.12 -0.55 8.34 8.33 2g4fB1 PHE 155 HA 0.00 -0.01 0.51 -0.75 4.62 4.37 2g4fB1 PHE 155 HB2 -0.13 0.04 0.09 -0.04 3.15 3.10 2g4fB1 PHE 155 HB3 -0.06 0.18 -0.09 -0.04 3.06 3.05 2g4fB1 PHE 155 HD2 0.03 0.19 -0.07 -0.04 7.28 7.39 2g4fB1 PHE 155 HE2 0.14 -0.10 -0.24 -0.04 7.38 7.14 2g4fB1 PHE 155 HZ 0.22 -0.05 -0.32 -0.04 7.32 7.12 2g4fB1 ARG 156 H 0.05 0.46 -0.08 -0.55 8.46 8.34 2g4fB1 ARG 156 HA 0.03 0.10 0.42 -0.75 4.34 4.13 2g4fB1 ARG 156 HB2 0.01 0.02 0.14 -0.04 1.90 2.02 2g4fB1 ARG 156 HB3 0.00 -0.02 0.02 -0.04 1.80 1.76 2g4fB1 ARG 156 HG2 -0.03 0.03 0.06 -0.04 1.67 1.69 2g4fB1 ARG 156 HG3 -0.05 0.15 0.05 -0.04 1.67 1.79 2g4fB1 ARG 156 HD2 -0.04 -0.07 -0.05 -0.04 3.22 3.02 2g4fB1 ARG 156 HD3 -0.02 -0.02 -0.00 -0.04 3.22 3.14 2g4fB1 THR 157 H 0.02 0.50 -0.16 -0.55 8.28 8.09 2g4fB1 THR 157 HA 0.00 0.02 0.48 -0.75 4.39 4.14 2g4fB1 THR 157 HB -0.01 0.13 0.16 -0.04 4.32 4.55 2g4fB1 THR 157 HG23 -0.00 -0.03 -0.02 -0.04 1.22 1.12 2g4fB1 ALA 158 H -0.04 0.49 -0.18 -0.55 8.40 8.12 2g4fB1 ALA 158 HA -0.11 -0.04 0.32 -0.75 4.34 3.76 2g4fB1 ALA 158 HB3 -0.12 0.02 0.07 -0.04 1.41 1.34 2g4fB1 ARG 159 H 0.03 0.57 -0.15 -0.55 8.46 8.36 2g4fB1 ARG 159 HA 0.05 0.10 0.31 -0.75 4.34 4.04 2g4fB1 ARG 159 HB2 0.07 0.04 0.15 -0.04 1.90 2.12 2g4fB1 ARG 159 HB3 0.03 0.05 0.19 -0.04 1.80 2.03 2g4fB1 ARG 159 HG2 0.03 -0.04 0.01 -0.04 1.67 1.62 2g4fB1 ARG 159 HG3 0.02 -0.01 -0.30 -0.04 1.67 1.34 2g4fB1 ARG 159 HD2 0.03 -0.04 0.01 -0.04 3.22 3.18 2g4fB1 ARG 159 HD3 0.05 0.07 0.08 -0.04 3.22 3.38 2g4fB1 ALA 160 H 0.01 0.43 -0.22 -0.55 8.40 8.07 2g4fB1 ALA 160 HA 0.01 0.00 0.36 -0.75 4.34 3.95 2g4fB1 ALA 160 HB3 -0.00 -0.01 0.09 -0.04 1.41 1.45 2g4fB1 ALA 161 H -0.03 0.37 -0.32 -0.55 8.40 7.88 2g4fB1 ALA 161 HA -0.03 0.00 0.42 -0.75 4.34 3.98 2g4fB1 ALA 161 HB3 -0.08 -0.04 -0.00 -0.04 1.41 1.25 2g4fB1 ASP 162 H -0.01 0.71 -0.19 -0.55 8.40 8.36 2g4fB1 ASP 162 HA 0.02 0.14 0.68 -0.75 4.63 4.72 2g4fB1 ASP 162 HB2 0.02 0.05 -0.17 -0.04 2.71 2.57 2g4fB1 ASP 162 HB3 0.06 -0.00 0.12 -0.04 2.70 2.84 2g4fB1 PRO 163 HA 0.04 0.17 0.47 -0.51 4.44 4.61 2g4fB1 PRO 163 HB2 0.03 -0.04 0.01 -0.04 2.28 2.23 2g4fB1 PRO 163 HB3 0.03 -0.00 0.10 -0.04 2.02 2.10 2g4fB1 PRO 163 HG2 0.02 -0.05 0.06 -0.04 2.03 2.01 2g4fB1 PRO 163 HG3 0.01 0.11 0.06 -0.04 2.03 2.18 2g4fB1 PRO 163 HD2 0.02 -0.01 0.12 -0.04 3.68 3.76 2g4fB1 PRO 163 HD3 0.01 0.31 -0.25 -0.04 3.65 3.68 2g4fB1 ALA 164 H 0.05 0.00 -0.32 -0.55 8.40 7.59 2g4fB1 ALA 164 HA 0.05 0.09 0.31 -0.75 4.34 4.04 2g4fB1 ALA 164 HB3 0.05 -0.03 0.05 -0.04 1.41 1.44 2g4fB1 ALA 165 H 0.11 0.32 -0.32 -0.55 8.40 7.96 2g4fB1 ALA 165 HA 0.13 0.23 0.47 -0.75 4.34 4.41 2g4fB1 ALA 165 HB3 0.31 -0.04 -0.07 -0.04 1.41 1.57 2g4fB1 LYS 166 H 0.11 0.60 0.34 -0.55 8.42 8.92 2g4fB1 LYS 166 HA 0.12 0.11 0.74 -0.75 4.32 4.54 2g4fB1 LYS 166 HB2 0.10 0.02 0.23 -0.04 1.87 2.18 2g4fB1 LYS 166 HB3 0.12 -0.10 -0.14 -0.04 1.79 1.62 2g4fB1 LYS 166 HG2 0.09 0.06 0.06 -0.04 1.46 1.63 2g4fB1 LYS 166 HG3 0.08 0.10 0.09 -0.04 1.46 1.69 2g4fB1 LYS 166 HD2 0.09 -0.07 -0.07 -0.04 1.69 1.60 2g4fB1 LYS 166 HD3 0.09 -0.02 -0.08 -0.04 1.68 1.63 2g4fB1 LYS 166 HE2 0.07 0.01 0.01 -0.04 2.99 3.04 2g4fB1 LYS 166 HE3 0.07 0.04 0.01 -0.04 2.99 3.07 2g4fB1 LEU 167 H 0.17 0.22 0.17 -0.55 8.37 8.38 2g4fB1 LEU 167 HA 0.26 0.09 0.77 -0.75 4.35 4.72 2g4fB1 LEU 167 HB2 0.34 -0.05 0.22 -0.04 1.64 2.11 2g4fB1 LEU 167 HB3 0.44 -0.06 0.08 -0.04 1.64 2.06 2g4fB1 LEU 167 HG 0.17 0.16 -0.00 -0.04 1.64 1.93 2g4fB1 LEU 167 HD13 0.18 0.04 0.03 -0.04 0.93 1.13 2g4fB1 LEU 167 HD23 0.14 -0.01 -0.27 -0.04 0.89 0.71 2g4fB1 CYS 168 H 0.26 0.64 0.43 -0.55 8.50 9.28 2g4fB1 CYS 168 HA 0.22 0.44 0.96 -0.75 4.58 5.45 2g4fB1 CYS 168 HB2 0.13 0.00 -0.27 -0.04 2.97 2.79 2g4fB1 CYS 168 HB3 0.12 0.00 -0.02 -0.04 2.97 3.03 2g4fB1 TYR 169 H 0.27 0.60 0.40 -0.55 8.29 9.02 2g4fB1 TYR 169 HA 0.24 0.14 0.93 -0.75 4.56 5.12 2g4fB1 TYR 169 HB2 0.22 0.05 0.11 -0.04 3.06 3.39 2g4fB1 TYR 169 HB3 0.01 0.04 0.20 -0.04 2.98 3.19 2g4fB1 TYR 169 HD2 0.03 0.02 -0.07 -0.04 7.15 7.09 2g4fB1 TYR 169 HE2 0.01 -0.05 -0.16 -0.04 6.85 6.60 2g4fB1 ASN 170 H -0.61 0.55 0.30 -0.55 8.53 8.23 2g4fB1 ASN 170 HA -0.40 0.24 0.99 -0.75 4.76 4.83 2g4fB1 ASN 170 HB2 -0.17 0.04 -0.12 -0.04 2.88 2.59 2g4fB1 ASN 170 HB3 -0.28 -0.03 0.08 -0.04 2.79 2.52 2g4fB1 ASN 170 HD21 -0.32 -0.02 -0.19 -0.04 7.03 6.46 2g4fB1 ASN 170 HD22 -0.25 -0.03 -0.16 -0.04 7.74 7.25 2g4fB1 ASP 171 H -0.34 0.66 0.38 -0.55 8.40 8.54 2g4fB1 ASP 171 HA -0.16 0.00 0.58 -0.75 4.63 4.30 2g4fB1 ASP 171 HB2 -0.34 0.05 -0.36 -0.04 2.71 2.02 2g4fB1 ASP 171 HB3 -0.13 0.05 -0.15 -0.04 2.70 2.44 2g4fB1 TYR 172 H -0.14 0.21 0.18 -0.55 8.29 8.00 2g4fB1 TYR 172 HA -0.05 -0.05 0.81 -0.75 4.56 4.52 2g4fB1 TYR 172 HB2 0.02 0.00 0.13 -0.04 3.06 3.17 2g4fB1 TYR 172 HB3 -0.02 0.03 0.05 -0.04 2.98 2.99 2g4fB1 TYR 172 HD2 0.00 -0.03 -0.05 -0.04 7.15 7.04 2g4fB1 TYR 172 HE2 0.07 0.04 -0.03 -0.04 6.85 6.89 2g4fB1 ASN 173 H 0.20 0.12 0.18 -0.55 8.53 8.49 2g4fB1 ASN 173 HA 0.44 0.01 0.37 -0.75 4.76 4.83 2g4fB1 ASN 173 HB2 -0.20 0.20 -0.21 -0.04 2.88 2.64 2g4fB1 ASN 173 HB3 -0.07 -0.01 0.27 -0.04 2.79 2.94 2g4fB1 ASN 173 HD21 0.06 0.05 -0.01 -0.04 7.03 7.09 2g4fB1 ASN 173 HD22 -0.01 0.01 0.00 -0.04 7.74 7.71 2g4fB1 ILE 174 H 0.17 0.03 -0.41 -0.55 8.25 7.50 2g4fB1 ILE 174 HA 0.29 0.16 0.63 -0.75 4.18 4.51 2g4fB1 ILE 174 HB 0.17 0.10 0.04 -0.04 1.89 2.15 2g4fB1 ILE 174 HG12 -0.05 -0.06 -0.48 -0.04 1.49 0.86 2g4fB1 ILE 174 HG13 0.15 -0.09 -0.21 -0.04 1.21 1.01 2g4fB1 ILE 174 HG23 0.02 0.03 -0.45 -0.04 0.93 0.48 2g4fB1 ILE 174 HD13 -0.51 0.06 -0.11 -0.04 0.88 0.29 2g4fB1 GLU 175 H 0.30 -0.04 -0.12 -0.55 8.60 8.20 2g4fB1 GLU 175 HA 0.32 0.24 0.59 -0.75 4.29 4.69 2g4fB1 GLU 175 HB2 0.05 0.01 0.04 -0.04 2.09 2.14 2g4fB1 GLU 175 HB3 -0.51 0.06 0.02 -0.04 1.99 1.51 2g4fB1 GLU 175 HG2 -0.49 0.07 -0.01 -0.04 2.34 1.87 2g4fB1 GLU 175 HG3 0.03 0.12 -0.05 -0.04 2.34 2.40 2g4fB1 ASN 176 H -0.35 0.02 -0.10 -0.55 8.53 7.56 2g4fB1 ASN 176 HA -0.33 0.08 0.54 -0.75 4.76 4.30 2g4fB1 ASN 176 HB2 -1.81 0.09 0.03 -0.04 2.88 1.15 2g4fB1 ASN 176 HB3 -2.51 -0.03 0.07 -0.04 2.79 0.28 2g4fB1 ASN 176 HD21 -0.39 0.04 -0.05 -0.04 7.03 6.59 2g4fB1 ASN 176 HD22 -0.86 0.10 -0.05 -0.04 7.74 6.89 2g4fB1 TRP 177 H 0.05 0.13 0.04 -0.55 7.97 7.64 2g4fB1 TRP 177 HA -0.04 0.13 0.11 -0.75 4.62 4.07 2g4fB1 TRP 177 HB2 -0.09 0.06 0.07 -0.04 3.23 3.23 2g4fB1 TRP 177 HB3 -0.13 -0.07 0.08 -0.04 3.23 3.07 2g4fB1 TRP 177 HD1 -0.10 -0.04 -0.11 -0.04 7.22 6.92 2g4fB1 TRP 177 HE1 -0.13 0.02 -0.07 -0.04 10.20 9.98 2g4fB1 TRP 177 HE3 -0.01 -0.05 -0.03 -0.04 7.59 7.45 2g4fB1 TRP 177 HZ2 -0.39 0.02 -0.04 -0.04 7.44 6.99 2g4fB1 TRP 177 HZ3 -0.56 0.03 -0.05 -0.04 7.13 6.51 2g4fB1 TRP 177 HH2 -1.85 0.06 -0.06 -0.04 7.19 5.29 2g4fB1 THR 178 H -0.18 -0.05 -0.31 -0.55 8.28 7.19 2g4fB1 THR 178 HA -0.26 0.21 0.48 -0.75 4.39 4.07 2g4fB1 THR 178 HB -0.04 0.06 0.07 -0.04 4.32 4.37 2g4fB1 THR 178 HG23 -0.04 -0.01 -0.04 -0.04 1.22 1.09 2g4fB1 TRP 179 H -0.13 0.36 -0.27 -0.55 7.97 7.39 2g4fB1 TRP 179 HA -0.04 0.11 0.64 -0.75 4.62 4.58 2g4fB1 TRP 179 HB2 0.01 0.07 0.12 -0.04 3.23 3.38 2g4fB1 TRP 179 HB3 -0.01 -0.12 0.14 -0.04 3.23 3.20 2g4fB1 TRP 179 HD1 -0.00 0.08 -0.12 -0.04 7.22 7.14 2g4fB1 TRP 179 HE1 0.02 0.06 -0.02 -0.04 10.20 10.22 2g4fB1 TRP 179 HE3 0.05 0.16 -0.06 -0.04 7.59 7.70 2g4fB1 TRP 179 HZ2 0.05 0.09 -0.00 -0.04 7.44 7.53 2g4fB1 TRP 179 HZ3 0.09 -0.18 0.02 -0.04 7.13 7.02 2g4fB1 TRP 179 HH2 0.11 0.03 -0.06 -0.04 7.19 7.24 2g4fB1 ALA 180 H 0.14 0.19 0.18 -0.55 8.40 8.36 2g4fB1 ALA 180 HA -0.00 0.17 0.47 -0.75 4.34 4.23 2g4fB1 ALA 180 HB3 0.03 0.00 -0.06 -0.04 1.41 1.34 2g4fB1 LYS 181 H 0.09 0.11 -0.08 -0.55 8.42 7.98 2g4fB1 LYS 181 HA 0.04 0.03 0.32 -0.75 4.32 3.95 2g4fB1 LYS 181 HB2 0.01 -0.06 0.15 -0.04 1.87 1.93 2g4fB1 LYS 181 HB3 0.10 0.23 0.09 -0.04 1.79 2.17 2g4fB1 LYS 181 HG2 -0.00 -0.07 -0.16 -0.04 1.46 1.18 2g4fB1 LYS 181 HG3 0.07 0.08 -0.06 -0.04 1.46 1.51 2g4fB1 LYS 181 HD2 -0.13 -0.07 -0.02 -0.04 1.69 1.43 2g4fB1 LYS 181 HD3 -0.11 0.09 -0.16 -0.04 1.68 1.46 2g4fB1 LYS 181 HE2 -0.12 -0.17 -0.11 -0.04 2.99 2.55 2g4fB1 LYS 181 HE3 -0.07 0.12 -0.45 -0.04 2.99 2.54 2g4fB1 THR 182 H 0.19 0.08 -0.30 -0.55 8.28 7.70 2g4fB1 THR 182 HA 0.18 0.00 0.40 -0.75 4.39 4.22 2g4fB1 THR 182 HB -0.01 0.27 -0.03 -0.04 4.32 4.51 2g4fB1 THR 182 HG23 0.37 0.02 -0.23 -0.04 1.22 1.34 2g4fB1 GLN 183 H -0.08 0.37 -0.25 -0.55 8.47 7.97 2g4fB1 GLN 183 HA -0.19 0.04 0.37 -0.75 4.36 3.83 2g4fB1 GLN 183 HB2 -0.12 0.05 0.14 -0.04 2.15 2.18 2g4fB1 GLN 183 HB3 -0.15 -0.03 0.03 -0.04 2.02 1.83 2g4fB1 GLN 183 HG2 -0.37 0.20 -0.01 -0.04 2.40 2.18 2g4fB1 GLN 183 HG3 -0.32 -0.03 -0.02 -0.04 2.39 1.97 2g4fB1 GLN 183 HE21 -3.76 -0.10 -0.02 -0.04 6.97 3.04 2g4fB1 GLN 183 HE22 -1.31 0.60 0.12 -0.04 7.69 7.05 2g4fB1 GLY 184 H -0.07 0.63 -0.01 -0.55 8.43 8.43 2g4fB1 GLY 184 HA2 -0.01 0.03 0.50 -0.51 4.01 4.02 2g4fB1 GLY 184 HA3 -0.04 0.22 0.39 -0.51 4.01 4.07 2g4fB1 VAL 185 H -0.34 0.47 -0.25 -0.55 8.24 7.57 2g4fB1 VAL 185 HA -0.82 -0.00 0.48 -0.75 4.13 3.04 2g4fB1 VAL 185 HB 0.01 0.17 0.09 -0.04 2.12 2.35 2g4fB1 VAL 185 HG13 0.02 -0.02 -0.18 -0.04 0.97 0.75 2g4fB1 VAL 185 HG23 -0.65 0.00 -0.05 -0.04 0.95 0.22 2g4fB1 TYR 186 H 0.13 0.65 0.01 -0.55 8.29 8.52 2g4fB1 TYR 186 HA -0.38 0.03 0.49 -0.75 4.56 3.94 2g4fB1 TYR 186 HB2 -0.22 0.04 0.08 -0.04 3.06 2.92 2g4fB1 TYR 186 HB3 -0.22 0.06 0.18 -0.04 2.98 2.96 2g4fB1 TYR 186 HD2 -0.74 -0.02 -0.08 -0.04 7.15 6.27 2g4fB1 TYR 186 HE2 -0.09 0.13 -0.13 -0.04 6.85 6.71 2g4fB1 ASN 187 H -0.06 0.72 -0.16 -0.55 8.53 8.48 2g4fB1 ASN 187 HA -0.23 0.02 0.34 -0.75 4.76 4.14 2g4fB1 ASN 187 HB2 -0.06 0.12 0.15 -0.04 2.88 3.04 2g4fB1 ASN 187 HB3 -0.07 -0.06 0.01 -0.04 2.79 2.63 2g4fB1 ASN 187 HD21 -0.01 -0.06 -0.04 -0.04 7.03 6.87 2g4fB1 ASN 187 HD22 -0.01 -0.03 -0.02 -0.04 7.74 7.64 2g4fB1 MET 188 H -0.20 0.37 -0.27 -0.55 8.47 7.82 2g4fB1 MET 188 HA -0.30 0.01 0.47 -0.75 4.52 3.95 2g4fB1 MET 188 HB2 -0.07 0.01 0.13 -0.04 2.15 2.18 2g4fB1 MET 188 HB3 -0.36 0.09 0.17 -0.04 2.03 1.89 2g4fB1 MET 188 HG2 -1.23 0.05 -0.36 -0.04 2.63 1.04 2g4fB1 MET 188 HG3 -0.98 -0.04 0.01 -0.04 2.56 1.50 2g4fB1 MET 188 HE3 -0.79 0.00 -0.06 -0.04 2.10 1.21 2g4fB1 VAL 189 H -0.27 0.63 -0.08 -0.55 8.24 7.97 2g4fB1 VAL 189 HA -0.27 -0.01 0.49 -0.75 4.13 3.58 2g4fB1 VAL 189 HB -0.02 0.09 0.15 -0.04 2.12 2.30 2g4fB1 VAL 189 HG13 0.07 0.01 -0.14 -0.04 0.97 0.88 2g4fB1 VAL 189 HG23 -0.00 -0.00 -0.00 -0.04 0.95 0.90 2g4fB1 ARG 190 H -0.39 0.63 -0.03 -0.55 8.46 8.13 2g4fB1 ARG 190 HA -0.19 0.08 0.44 -0.75 4.34 3.91 2g4fB1 ARG 190 HB2 -0.58 0.14 0.13 -0.04 1.90 1.55 2g4fB1 ARG 190 HB3 -0.23 0.01 0.05 -0.04 1.80 1.58 2g4fB1 ARG 190 HG2 -0.17 0.02 0.06 -0.04 1.67 1.55 2g4fB1 ARG 190 HG3 -0.39 0.01 0.01 -0.04 1.67 1.26 2g4fB1 ARG 190 HD2 -0.11 -0.01 -0.07 -0.04 3.22 2.99 2g4fB1 ARG 190 HD3 -0.07 0.00 -0.03 -0.04 3.22 3.09 2g4fB1 ASP 191 H -0.17 0.59 -0.18 -0.55 8.40 8.10 2g4fB1 ASP 191 HA -0.02 0.00 0.38 -0.75 4.63 4.23 2g4fB1 ASP 191 HB2 -0.05 -0.01 0.12 -0.04 2.71 2.73 2g4fB1 ASP 191 HB3 -0.08 0.08 0.19 -0.04 2.70 2.85 2g4fB1 PHE 192 H -0.00 0.62 -0.08 -0.55 8.34 8.32 2g4fB1 PHE 192 HA -0.08 -0.09 0.44 -0.75 4.62 4.14 2g4fB1 PHE 192 HB2 -0.14 0.14 0.24 -0.04 3.15 3.35 2g4fB1 PHE 192 HB3 -0.15 0.04 -0.02 -0.04 3.06 2.89 2g4fB1 PHE 192 HD2 -0.24 -0.00 -0.07 -0.04 7.28 6.93 2g4fB1 PHE 192 HE2 -0.18 -0.06 -0.10 -0.04 7.38 7.01 2g4fB1 PHE 192 HZ -0.14 -0.20 -0.07 -0.04 7.32 6.87 2g4fB1 LYS 193 H 0.04 0.73 0.01 -0.55 8.42 8.64 2g4fB1 LYS 193 HA 0.02 0.06 0.50 -0.75 4.32 4.14 2g4fB1 LYS 193 HB2 -0.02 -0.01 0.19 -0.04 1.87 1.99 2g4fB1 LYS 193 HB3 0.00 0.03 0.12 -0.04 1.79 1.90 2g4fB1 LYS 193 HG2 0.01 0.01 0.04 -0.04 1.46 1.47 2g4fB1 LYS 193 HG3 0.01 0.18 -0.03 -0.04 1.46 1.57 2g4fB1 LYS 193 HD2 0.02 -0.09 0.04 -0.04 1.69 1.62 2g4fB1 LYS 193 HD3 0.03 -0.05 -0.05 -0.04 1.68 1.56 2g4fB1 LYS 193 HE2 0.03 0.19 0.07 -0.04 2.99 3.23 2g4fB1 LYS 193 HE3 0.01 -0.12 0.14 -0.04 2.99 2.98 2g4fB1 GLN 194 H 0.00 0.57 -0.14 -0.55 8.47 8.35 2g4fB1 GLN 194 HA -0.00 0.02 0.41 -0.75 4.36 4.03 2g4fB1 GLN 194 HB2 -0.01 0.09 0.18 -0.04 2.15 2.37 2g4fB1 GLN 194 HB3 -0.00 -0.10 0.04 -0.04 2.02 1.92 2g4fB1 GLN 194 HG2 -0.01 -0.05 0.06 -0.04 2.40 2.35 2g4fB1 GLN 194 HG3 -0.03 0.07 0.06 -0.04 2.39 2.45 2g4fB1 GLN 194 HE21 -0.02 -0.07 -0.03 -0.04 6.97 6.81 2g4fB1 GLN 194 HE22 -0.02 0.02 -0.00 -0.04 7.69 7.65 2g4fB1 ARG 195 H 0.02 0.39 -0.22 -0.55 8.46 8.09 2g4fB1 ARG 195 HA -0.00 0.14 0.83 -0.75 4.34 4.56 2g4fB1 ARG 195 HB2 0.01 0.01 0.07 -0.04 1.90 1.95 2g4fB1 ARG 195 HB3 -0.01 -0.09 0.10 -0.04 1.80 1.76 2g4fB1 ARG 195 HG2 0.01 -0.01 -0.05 -0.04 1.67 1.58 2g4fB1 ARG 195 HG3 0.02 0.13 -0.02 -0.04 1.67 1.76 2g4fB1 ARG 195 HD2 0.01 -0.05 -0.01 -0.04 3.22 3.13 2g4fB1 ARG 195 HD3 0.02 -0.06 -0.02 -0.04 3.22 3.12 2g4fB1 GLY 196 H -0.01 0.39 -0.15 -0.55 8.43 8.12 2g4fB1 GLY 196 HA2 -0.02 0.09 0.27 -0.51 4.01 3.84 2g4fB1 GLY 196 HA3 -0.02 0.02 0.48 -0.51 4.01 3.98 2g4fB1 VAL 197 H -0.08 0.43 0.08 -0.55 8.24 8.13 2g4fB1 VAL 197 HA -0.16 0.10 0.51 -0.75 4.13 3.82 2g4fB1 VAL 197 HB -0.39 -0.05 0.10 -0.04 2.12 1.74 2g4fB1 VAL 197 HG13 -0.80 -0.03 -0.22 -0.04 0.97 -0.12 2g4fB1 VAL 197 HG23 -0.47 -0.01 -0.03 -0.04 0.95 0.39 2g4fB1 PRO 198 HA -0.01 0.17 0.41 -0.51 4.44 4.50 2g4fB1 PRO 198 HB2 0.07 0.01 0.16 -0.04 2.28 2.47 2g4fB1 PRO 198 HB3 0.02 0.07 0.10 -0.04 2.02 2.17 2g4fB1 PRO 198 HG2 0.06 -0.04 -0.16 -0.04 2.03 1.85 2g4fB1 PRO 198 HG3 0.01 0.03 0.08 -0.04 2.03 2.11 2g4fB1 PRO 198 HD2 -0.10 -0.04 0.12 -0.04 3.68 3.62 2g4fB1 PRO 198 HD3 -0.05 0.26 0.24 -0.04 3.65 4.06 2g4fB1 ILE 199 H -0.06 0.63 0.27 -0.55 8.25 8.54 2g4fB1 ILE 199 HA -0.04 0.06 0.81 -0.75 4.18 4.26 2g4fB1 ILE 199 HB -0.64 -0.09 -0.12 -0.04 1.89 1.00 2g4fB1 ILE 199 HG12 -0.01 0.04 -0.19 -0.04 1.49 1.28 2g4fB1 ILE 199 HG13 -0.04 0.04 0.10 -0.04 1.21 1.27 2g4fB1 ILE 199 HG23 -0.01 0.06 -0.02 -0.04 0.93 0.93 2g4fB1 ILE 199 HD13 -0.23 -0.05 -0.04 -0.04 0.88 0.53 2g4fB1 ASP 200 H 0.13 0.46 0.36 -0.55 8.40 8.80 2g4fB1 ASP 200 HA 0.07 0.28 0.93 -0.75 4.63 5.15 2g4fB1 ASP 200 HB2 0.12 -0.10 0.11 -0.04 2.71 2.80 2g4fB1 ASP 200 HB3 0.09 0.04 0.14 -0.04 2.70 2.92 2g4fB1 CYS 201 H 0.12 0.36 0.33 -0.55 8.50 8.76 2g4fB1 CYS 201 HA 0.10 0.29 0.76 -0.75 4.58 4.98 2g4fB1 CYS 201 HB2 0.10 0.00 -0.40 -0.04 2.97 2.63 2g4fB1 CYS 201 HB3 0.12 0.00 -0.35 -0.04 2.97 2.69 2g4fB1 VAL 202 H 0.08 0.59 0.25 -0.55 8.24 8.62 2g4fB1 VAL 202 HA -0.03 0.17 1.04 -0.75 4.13 4.55 2g4fB1 VAL 202 HB -0.09 0.03 0.08 -0.04 2.12 2.10 2g4fB1 VAL 202 HG13 -0.93 -0.02 -0.14 -0.04 0.97 -0.16 2g4fB1 VAL 202 HG23 0.13 0.01 -0.15 -0.04 0.95 0.89 2g4fB1 GLY 203 H -0.27 0.87 0.38 -0.55 8.43 8.86 2g4fB1 GLY 203 HA2 -0.06 0.25 0.79 -0.51 4.01 4.48 2g4fB1 GLY 203 HA3 -0.16 -0.07 0.22 -0.51 4.01 3.49 2g4fB1 PHE 204 H 0.18 0.89 0.33 -0.55 8.34 9.18 2g4fB1 PHE 204 HA -0.07 0.12 0.83 -0.75 4.62 4.75 2g4fB1 PHE 204 HB2 0.15 0.10 0.19 -0.04 3.15 3.56 2g4fB1 PHE 204 HB3 0.12 -0.14 0.03 -0.04 3.06 3.03 2g4fB1 PHE 204 HD2 0.04 -0.03 -0.15 -0.04 7.28 7.10 2g4fB1 PHE 204 HE2 -0.16 0.14 -0.07 -0.04 7.38 7.25 2g4fB1 PHE 204 HZ -1.26 0.06 -0.13 -0.04 7.32 5.96 2g4fB1 GLN 205 H -0.13 0.55 0.16 -0.55 8.47 8.51 2g4fB1 GLN 205 HA -0.31 0.01 0.28 -0.75 4.36 3.58 2g4fB1 GLN 205 HB2 -0.09 -0.15 0.05 -0.04 2.15 1.92 2g4fB1 GLN 205 HB3 -0.43 0.08 -0.06 -0.04 2.02 1.58 2g4fB1 GLN 205 HG2 -0.33 0.07 -0.14 -0.04 2.40 1.96 2g4fB1 GLN 205 HG3 -0.18 0.06 -0.25 -0.04 2.39 1.98 2g4fB1 GLN 205 HE21 0.01 0.05 -0.11 -0.04 6.97 6.88 2g4fB1 GLN 205 HE22 -0.17 0.00 -0.27 -0.04 7.69 7.21 2g4fB1 SER 206 H -0.21 -0.01 -0.20 -0.55 8.46 7.50 2g4fB1 SER 206 HA -0.87 -0.02 0.18 -0.75 4.49 3.03 2g4fB1 SER 206 HB2 -0.19 0.13 0.04 -0.04 3.95 3.89 2g4fB1 SER 206 HB3 -0.33 -0.01 0.11 -0.04 3.93 3.66 2g4fB1 HIS 207 H -0.29 -0.08 -0.19 -0.55 8.41 7.31 2g4fB1 HIS 207 HA -0.04 0.22 0.84 -0.75 4.63 4.89 2g4fB1 HIS 207 HB2 -0.06 -0.14 0.15 -0.04 3.26 3.17 2g4fB1 HIS 207 HB3 0.15 0.02 -0.03 -0.04 3.20 3.30 2g4fB1 HIS 207 HD2 -0.30 -0.14 -0.05 -0.04 6.97 6.44 2g4fB1 HIS 207 HE1 -0.35 -0.01 -0.03 -0.04 7.75 7.31 2g4fB1 PHE 208 H 0.11 0.83 0.38 -0.55 8.34 9.11 2g4fB1 PHE 208 HA 0.14 0.33 0.82 -0.75 4.62 5.15 2g4fB1 PHE 208 HB2 0.00 0.01 0.21 -0.04 3.15 3.34 2g4fB1 PHE 208 HB3 0.07 -0.10 0.03 -0.04 3.06 3.02 2g4fB1 PHE 208 HD2 0.00 0.21 -0.13 -0.04 7.28 7.32 2g4fB1 PHE 208 HE2 -0.15 -0.00 -0.06 -0.04 7.38 7.14 2g4fB1 PHE 208 HZ -0.86 0.02 -0.02 -0.04 7.32 6.41 2g4fB1 ASN 209 H 0.29 0.42 0.06 -0.55 8.53 8.75 2g4fB1 ASN 209 HA 0.14 0.12 0.51 -0.75 4.76 4.79 2g4fB1 ASN 209 HB2 0.10 -0.12 0.21 -0.04 2.88 3.03 2g4fB1 ASN 209 HB3 0.14 0.15 -0.06 -0.04 2.79 2.98 2g4fB1 ASN 209 HD21 0.20 0.05 -0.13 -0.04 7.03 7.10 2g4fB1 ASN 209 HD22 0.21 0.05 -0.18 -0.04 7.74 7.78 2g4fB1 SER 210 H 0.09 0.18 0.14 -0.55 8.46 8.33 2g4fB1 SER 210 HA 0.09 0.12 0.28 -0.75 4.49 4.23 2g4fB1 SER 210 HB2 0.06 0.08 0.08 -0.04 3.95 4.12 2g4fB1 SER 210 HB3 0.06 0.01 0.12 -0.04 3.93 4.08 2g4fB1 GLY 211 H 0.09 -0.02 -0.17 -0.55 8.43 7.78 2g4fB1 GLY 211 HA2 0.06 0.17 0.66 -0.51 4.01 4.39 2g4fB1 GLY 211 HA3 0.06 -0.00 0.25 -0.51 4.01 3.81 2g4fB1 SER 212 H 0.18 0.02 -0.45 -0.55 8.46 7.66 2g4fB1 SER 212 HA 0.31 0.19 0.70 -0.75 4.49 4.94 2g4fB1 SER 212 HB2 0.25 -0.00 0.25 -0.04 3.95 4.40 2g4fB1 SER 212 HB3 0.40 -0.08 0.18 -0.04 3.93 4.39 2g4fB1 PRO 213 HA 0.21 -0.00 0.35 -0.51 4.44 4.49 2g4fB1 PRO 213 HB2 0.10 0.11 -0.06 -0.04 2.28 2.39 2g4fB1 PRO 213 HB3 0.12 -0.01 0.07 -0.04 2.02 2.16 2g4fB1 PRO 213 HG2 0.19 0.00 0.01 -0.04 2.03 2.19 2g4fB1 PRO 213 HG3 0.15 0.17 0.04 -0.04 2.03 2.35 2g4fB1 PRO 213 HD2 0.49 0.04 0.01 -0.04 3.68 4.18 2g4fB1 PRO 213 HD3 0.24 0.17 -0.50 -0.04 3.65 3.52 2g4fB1 TYR 214 H 0.01 0.06 0.14 -0.55 8.29 7.95 2g4fB1 TYR 214 HA -0.75 0.03 0.53 -0.75 4.56 3.62 2g4fB1 TYR 214 HB2 -1.14 0.02 0.09 -0.04 3.06 1.99 2g4fB1 TYR 214 HB3 -0.36 -0.03 0.08 -0.04 2.98 2.63 2g4fB1 TYR 214 HD2 -0.56 -0.02 -0.11 -0.04 7.15 6.42 2g4fB1 TYR 214 HE2 0.07 0.02 -0.13 -0.04 6.85 6.77 2g4fB1 ASN 215 H -0.72 0.21 0.16 -0.55 8.53 7.63 2g4fB1 ASN 215 HA -0.39 0.21 0.57 -0.75 4.76 4.39 2g4fB1 ASN 215 HB2 -0.28 0.17 -0.05 -0.04 2.88 2.68 2g4fB1 ASN 215 HB3 -0.38 -0.09 0.05 -0.04 2.79 2.33 2g4fB1 ASN 215 HD21 -0.10 0.05 0.02 -0.04 7.03 6.96 2g4fB1 ASN 215 HD22 -0.12 0.11 0.03 -0.04 7.74 7.71 2g4fB1 SER 216 H -0.31 0.25 0.08 -0.55 8.46 7.94 2g4fB1 SER 216 HA -0.35 0.13 0.37 -0.75 4.49 3.88 2g4fB1 SER 216 HB2 -0.01 0.10 0.12 -0.04 3.95 4.11 2g4fB1 SER 216 HB3 -0.03 0.03 0.10 -0.04 3.93 3.99 2g4fB1 ASN 217 H -0.21 0.05 -0.40 -0.55 8.53 7.42 2g4fB1 ASN 217 HA -0.10 0.17 0.57 -0.75 4.76 4.65 2g4fB1 ASN 217 HB2 -0.01 0.07 0.16 -0.04 2.88 3.05 2g4fB1 ASN 217 HB3 -0.07 0.08 0.08 -0.04 2.79 2.83 2g4fB1 ASN 217 HD21 -0.19 -0.09 -0.02 -0.04 7.03 6.70 2g4fB1 ASN 217 HD22 -0.05 0.15 0.00 -0.04 7.74 7.81 2g4fB1 PHE 218 H -0.12 0.49 -0.44 -0.55 8.34 7.72 2g4fB1 PHE 218 HA -0.11 0.26 0.62 -0.75 4.62 4.64 2g4fB1 PHE 218 HB2 -0.20 -0.01 0.15 -0.04 3.15 3.05 2g4fB1 PHE 218 HB3 -0.03 0.04 0.08 -0.04 3.06 3.11 2g4fB1 PHE 218 HD2 0.10 0.12 0.11 -0.04 7.28 7.57 2g4fB1 PHE 218 HE2 -0.18 0.03 -0.01 -0.04 7.38 7.17 2g4fB1 PHE 218 HZ -0.02 0.02 -0.04 -0.04 7.32 7.24 2g4fB1 ARG 219 H -0.06 0.38 -0.14 -0.55 8.46 8.09 2g4fB1 ARG 219 HA -0.33 0.11 0.40 -0.75 4.34 3.77 2g4fB1 ARG 219 HB2 -0.08 0.01 0.15 -0.04 1.90 1.93 2g4fB1 ARG 219 HB3 -0.11 0.01 0.06 -0.04 1.80 1.71 2g4fB1 ARG 219 HG2 -0.15 -0.03 -0.04 -0.04 1.67 1.41 2g4fB1 ARG 219 HG3 -0.15 0.12 0.11 -0.04 1.67 1.71 2g4fB1 ARG 219 HD2 -0.08 -0.05 -0.02 -0.04 3.22 3.03 2g4fB1 ARG 219 HD3 -0.08 0.09 0.00 -0.04 3.22 3.19 2g4fB1 THR 220 H -0.17 0.11 -0.40 -0.55 8.28 7.27 2g4fB1 THR 220 HA -0.33 0.13 0.57 -0.75 4.39 4.01 2g4fB1 THR 220 HB -0.29 0.09 0.15 -0.04 4.32 4.23 2g4fB1 THR 220 HG23 -0.78 0.01 -0.07 -0.04 1.22 0.34 2g4fB1 THR 221 H -0.13 0.40 -0.01 -0.55 8.28 7.98 2g4fB1 THR 221 HA 0.03 0.03 0.50 -0.75 4.39 4.19 2g4fB1 THR 221 HB 0.02 0.17 0.27 -0.04 4.32 4.74 2g4fB1 THR 221 HG23 0.45 0.00 -0.08 -0.04 1.22 1.55 2g4fB1 LEU 222 H -0.37 0.57 -0.10 -0.55 8.37 7.92 2g4fB1 LEU 222 HA -0.25 -0.00 0.26 -0.75 4.35 3.60 2g4fB1 LEU 222 HB2 -0.39 0.11 0.07 -0.04 1.64 1.40 2g4fB1 LEU 222 HB3 -0.30 0.01 -0.04 -0.04 1.64 1.27 2g4fB1 LEU 222 HG -1.15 0.06 0.03 -0.04 1.64 0.53 2g4fB1 LEU 222 HD13 -0.88 -0.00 -0.18 -0.04 0.93 -0.18 2g4fB1 LEU 222 HD23 -0.71 -0.02 -0.09 -0.04 0.89 0.03 2g4fB1 GLN 223 H -0.23 0.44 -0.23 -0.55 8.47 7.90 2g4fB1 GLN 223 HA -0.11 0.02 0.48 -0.75 4.36 4.01 2g4fB1 GLN 223 HB2 -0.26 0.05 0.23 -0.04 2.15 2.13 2g4fB1 GLN 223 HB3 -0.18 -0.03 0.01 -0.04 2.02 1.77 2g4fB1 GLN 223 HG2 -0.12 -0.02 0.08 -0.04 2.40 2.31 2g4fB1 GLN 223 HG3 -0.15 0.01 0.09 -0.04 2.39 2.30 2g4fB1 GLN 223 HE21 -0.10 -0.08 -0.02 -0.04 6.97 6.73 2g4fB1 GLN 223 HE22 -0.10 0.11 0.01 -0.04 7.69 7.67 2g4fB1 ASN 224 H -0.32 0.50 -0.26 -0.55 8.53 7.91 2g4fB1 ASN 224 HA -0.18 0.06 0.29 -0.75 4.76 4.17 2g4fB1 ASN 224 HB2 -0.92 0.05 0.12 -0.04 2.88 2.09 2g4fB1 ASN 224 HB3 -0.57 -0.05 0.02 -0.04 2.79 2.15 2g4fB1 ASN 224 HD21 -1.34 -0.09 -0.05 -0.04 7.03 5.51 2g4fB1 ASN 224 HD22 -4.02 -0.06 -0.06 -0.04 7.74 3.56 2g4fB1 PHE 225 H 0.26 0.42 -0.16 -0.55 8.34 8.31 2g4fB1 PHE 225 HA 0.30 0.06 0.48 -0.75 4.62 4.71 2g4fB1 PHE 225 HB2 0.21 0.06 0.08 -0.04 3.15 3.46 2g4fB1 PHE 225 HB3 0.24 0.02 -0.12 -0.04 3.06 3.16 2g4fB1 PHE 225 HD2 0.26 0.17 -0.03 -0.04 7.28 7.63 2g4fB1 PHE 225 HE2 0.30 -0.00 -0.12 -0.04 7.38 7.52 2g4fB1 PHE 225 HZ 0.21 -0.04 -0.10 -0.04 7.32 7.35 2g4fB1 ALA 226 H 0.15 0.46 -0.12 -0.55 8.40 8.35 2g4fB1 ALA 226 HA 0.11 0.30 0.47 -0.75 4.34 4.46 2g4fB1 ALA 226 HB3 0.02 0.01 0.14 -0.04 1.41 1.53 2g4fB1 ALA 227 H 0.03 0.34 -0.43 -0.55 8.40 7.80 2g4fB1 ALA 227 HA 0.01 0.03 0.28 -0.75 4.34 3.91 2g4fB1 ALA 227 HB3 -0.01 0.01 0.10 -0.04 1.41 1.47 2g4fB1 LEU 228 H 0.08 0.44 -0.58 -0.55 8.37 7.76 2g4fB1 LEU 228 HA 0.00 0.07 0.75 -0.75 4.35 4.43 2g4fB1 LEU 228 HB2 0.05 0.11 -0.05 -0.04 1.64 1.71 2g4fB1 LEU 228 HB3 -0.04 -0.07 0.07 -0.04 1.64 1.56 2g4fB1 LEU 228 HG 0.06 0.22 0.12 -0.04 1.64 1.99 2g4fB1 LEU 228 HD13 -0.34 -0.06 -0.02 -0.04 0.93 0.47 2g4fB1 LEU 228 HD23 -0.14 -0.03 -0.02 -0.04 0.89 0.65 2g4fB1 GLY 229 H 0.04 0.48 -0.20 -0.55 8.43 8.21 2g4fB1 GLY 229 HA2 0.03 -0.00 0.31 -0.51 4.01 3.83 2g4fB1 GLY 229 HA3 0.03 0.05 0.57 -0.51 4.01 4.14 2g4fB1 VAL 230 H 0.08 0.28 0.13 -0.55 8.24 8.18 2g4fB1 VAL 230 HA 0.07 0.24 0.69 -0.75 4.13 4.38 2g4fB1 VAL 230 HB 0.11 -0.09 -0.27 -0.04 2.12 1.83 2g4fB1 VAL 230 HG13 0.08 0.02 -0.35 -0.04 0.97 0.68 2g4fB1 VAL 230 HG23 0.21 0.04 -0.31 -0.04 0.95 0.84 2g4fB1 ASP 231 H 0.08 0.67 0.40 -0.55 8.40 9.01 2g4fB1 ASP 231 HA 0.07 0.12 0.86 -0.75 4.63 4.93 2g4fB1 ASP 231 HB2 0.08 -0.05 0.14 -0.04 2.71 2.84 2g4fB1 ASP 231 HB3 0.07 0.06 0.23 -0.04 2.70 3.02 2g4fB1 VAL 232 H 0.06 0.59 0.22 -0.55 8.24 8.56 2g4fB1 VAL 232 HA 0.16 0.18 0.92 -0.75 4.13 4.64 2g4fB1 VAL 232 HB 0.23 -0.09 0.06 -0.04 2.12 2.28 2g4fB1 VAL 232 HG13 0.22 0.01 -0.24 -0.04 0.97 0.91 2g4fB1 VAL 232 HG23 -0.02 -0.02 -0.17 -0.04 0.95 0.70 2g4fB1 ALA 233 H 0.23 0.50 0.35 -0.55 8.40 8.94 2g4fB1 ALA 233 HA 0.04 0.18 0.96 -0.75 4.34 4.76 2g4fB1 ALA 233 HB3 0.11 0.01 -0.22 -0.04 1.41 1.28 2g4fB1 ILE 234 H 0.03 0.59 0.26 -0.55 8.25 8.58 2g4fB1 ILE 234 HA 0.17 0.17 0.90 -0.75 4.18 4.66 2g4fB1 ILE 234 HB 0.03 0.09 0.23 -0.04 1.89 2.21 2g4fB1 ILE 234 HG12 0.42 -0.06 0.00 -0.04 1.49 1.81 2g4fB1 ILE 234 HG13 0.13 -0.02 -0.12 -0.04 1.21 1.15 2g4fB1 ILE 234 HG23 0.09 -0.01 -0.07 -0.04 0.93 0.90 2g4fB1 ILE 234 HD13 0.16 0.01 -0.08 -0.04 0.88 0.93 2g4fB1 THR 235 H -0.03 0.44 0.03 -0.55 8.28 8.17 2g4fB1 THR 235 HA 0.03 0.19 0.42 -0.75 4.39 4.28 2g4fB1 THR 235 HB -0.15 0.02 -0.22 -0.04 4.32 3.93 2g4fB1 THR 235 HG23 -0.02 0.03 -0.34 -0.04 1.22 0.86 2g4fB1 GLU 236 H -0.22 0.28 0.11 -0.55 8.60 8.23 2g4fB1 GLU 236 HA 0.12 0.19 0.67 -0.75 4.29 4.52 2g4fB1 GLU 236 HB2 -0.97 -0.11 0.05 -0.04 2.09 1.03 2g4fB1 GLU 236 HB3 -1.20 -0.04 0.03 -0.04 1.99 0.74 2g4fB1 GLU 236 HG2 -1.18 0.20 -0.42 -0.04 2.34 0.90 2g4fB1 GLU 236 HG3 -0.57 -0.15 -0.43 -0.04 2.34 1.14 2g4fB1 LEU 237 H 0.03 0.63 0.03 -0.55 8.37 8.52 2g4fB1 LEU 237 HA -0.11 0.24 0.29 -0.75 4.35 4.01 2g4fB1 LEU 237 HB2 0.06 -0.04 0.06 -0.04 1.64 1.67 2g4fB1 LEU 237 HB3 0.13 0.07 0.06 -0.04 1.64 1.86 2g4fB1 LEU 237 HG 0.23 -0.06 -0.29 -0.04 1.64 1.49 2g4fB1 LEU 237 HD13 0.13 0.03 0.02 -0.04 0.93 1.07 2g4fB1 LEU 237 HD23 0.29 -0.01 -0.10 -0.04 0.89 1.04 2g4fB1 ASP 238 H 0.05 0.44 0.44 -0.55 8.40 8.79 2g4fB1 ASP 238 HA 0.29 0.14 0.25 -0.75 4.63 4.55 2g4fB1 ASP 238 HB2 0.29 -0.04 0.00 -0.04 2.71 2.92 2g4fB1 ASP 238 HB3 0.39 0.07 0.17 -0.04 2.70 3.29 2g4fB1 ILE 239 H 0.14 0.59 0.23 -0.55 8.25 8.66 2g4fB1 ILE 239 HA 0.14 0.24 1.03 -0.75 4.18 4.83 2g4fB1 ILE 239 HB -0.35 0.01 0.09 -0.04 1.89 1.61 2g4fB1 ILE 239 HG12 0.06 -0.00 -0.10 -0.04 1.49 1.40 2g4fB1 ILE 239 HG13 -0.16 -0.06 -0.50 -0.04 1.21 0.44 2g4fB1 ILE 239 HG23 -0.05 -0.02 -0.14 -0.04 0.93 0.67 2g4fB1 ILE 239 HD13 -0.96 -0.01 -0.21 -0.04 0.88 -0.34 2g4fB1 GLN 240 H 0.12 0.67 0.33 -0.55 8.47 9.04 2g4fB1 GLN 240 HA 0.05 0.07 0.53 -0.75 4.36 4.24 2g4fB1 GLN 240 HB2 0.06 0.00 0.25 -0.04 2.15 2.42 2g4fB1 GLN 240 HB3 0.08 -0.08 0.28 -0.04 2.02 2.27 2g4fB1 GLN 240 HG2 0.04 0.05 -0.23 -0.04 2.40 2.21 2g4fB1 GLN 240 HG3 0.01 0.05 0.06 -0.04 2.39 2.48 2g4fB1 GLN 240 HE21 0.02 -0.02 0.04 -0.04 6.97 6.97 2g4fB1 GLN 240 HE22 -0.01 0.05 0.04 -0.04 7.69 7.73 2g4fB1 GLY 241 H 0.04 0.66 0.28 -0.55 8.43 8.86 2g4fB1 GLY 241 HA2 0.04 0.08 0.39 -0.51 4.01 4.02 2g4fB1 GLY 241 HA3 0.04 0.03 0.60 -0.51 4.01 4.17 2g4fB1 ALA 242 H 0.10 0.51 -0.43 -0.55 8.40 8.03 2g4fB1 ALA 242 HA 0.26 0.03 0.23 -0.75 4.34 4.10 2g4fB1 ALA 242 HB3 0.19 -0.00 0.01 -0.04 1.41 1.57 2g4fB1 SER 243 H 0.07 0.14 -0.31 -0.55 8.46 7.81 2g4fB1 SER 243 HA 0.06 0.08 0.46 -0.75 4.49 4.34 2g4fB1 SER 243 HB2 0.02 0.17 0.07 -0.04 3.95 4.17 2g4fB1 SER 243 HB3 -0.01 -0.05 0.06 -0.04 3.93 3.90 2g4fB1 SER 244 H 0.06 0.20 0.21 -0.55 8.46 8.38 2g4fB1 SER 244 HA 0.10 0.10 0.46 -0.75 4.49 4.40 2g4fB1 SER 244 HB2 0.03 -0.00 0.12 -0.04 3.95 4.06 2g4fB1 SER 244 HB3 0.02 0.09 -0.08 -0.04 3.93 3.92 2g4fB1 SER 245 H 0.02 0.07 -0.10 -0.55 8.46 7.90 2g4fB1 SER 245 HA -0.00 0.19 0.38 -0.75 4.49 4.30 2g4fB1 SER 245 HB2 -0.01 0.08 -0.01 -0.04 3.95 3.97 2g4fB1 SER 245 HB3 0.00 0.07 0.05 -0.04 3.93 4.01 2g4fB1 THR 246 H -0.04 0.04 -0.25 -0.55 8.28 7.48 2g4fB1 THR 246 HA -0.30 0.08 0.39 -0.75 4.39 3.82 2g4fB1 THR 246 HB -0.16 0.10 -0.05 -0.04 4.32 4.17 2g4fB1 THR 246 HG23 -0.41 -0.00 -0.06 -0.04 1.22 0.71 2g4fB1 TYR 247 H 0.06 0.49 -0.30 -0.55 8.29 7.98 2g4fB1 TYR 247 HA -0.01 0.01 0.43 -0.75 4.56 4.24 2g4fB1 TYR 247 HB2 -0.00 0.13 0.10 -0.04 3.06 3.26 2g4fB1 TYR 247 HB3 0.01 0.07 -0.06 -0.04 2.98 2.95 2g4fB1 TYR 247 HD2 0.08 0.06 -0.14 -0.04 7.15 7.11 2g4fB1 TYR 247 HE2 0.16 0.05 -0.14 -0.04 6.85 6.88 2g4fB1 ALA 248 H 0.05 0.49 -0.23 -0.55 8.40 8.16 2g4fB1 ALA 248 HA 0.03 0.09 0.33 -0.75 4.34 4.03 2g4fB1 ALA 248 HB3 -0.00 0.01 0.07 -0.04 1.41 1.45 2g4fB1 ALA 249 H -0.11 0.37 -0.33 -0.55 8.40 7.79 2g4fB1 ALA 249 HA -0.04 0.07 0.31 -0.75 4.34 3.94 2g4fB1 ALA 249 HB3 -0.27 0.01 0.07 -0.04 1.41 1.18 2g4fB1 VAL 250 H -0.26 0.56 -0.11 -0.55 8.24 7.88 2g4fB1 VAL 250 HA 0.15 -0.02 0.48 -0.75 4.13 3.98 2g4fB1 VAL 250 HB 0.02 0.12 0.14 -0.04 2.12 2.37 2g4fB1 VAL 250 HG13 0.30 -0.01 -0.11 -0.04 0.97 1.11 2g4fB1 VAL 250 HG23 -0.22 0.01 0.02 -0.04 0.95 0.71 2g4fB1 THR 251 H 0.07 0.50 -0.17 -0.55 8.28 8.14 2g4fB1 THR 251 HA 0.11 -0.01 0.24 -0.75 4.39 3.98 2g4fB1 THR 251 HB 0.05 0.14 0.12 -0.04 4.32 4.59 2g4fB1 THR 251 HG23 0.08 0.03 -0.07 -0.04 1.22 1.22 2g4fB1 ASN 252 H 0.02 0.50 -0.31 -0.55 8.53 8.20 2g4fB1 ASN 252 HA 0.00 0.09 0.44 -0.75 4.76 4.54 2g4fB1 ASN 252 HB2 0.01 0.02 0.13 -0.04 2.88 3.00 2g4fB1 ASN 252 HB3 -0.00 -0.05 0.01 -0.04 2.79 2.71 2g4fB1 ASN 252 HD21 -0.00 -0.05 -0.04 -0.04 7.03 6.90 2g4fB1 ASN 252 HD22 -0.00 -0.10 -0.11 -0.04 7.74 7.49 2g4fB1 ASP 253 H 0.03 0.48 -0.14 -0.55 8.40 8.22 2g4fB1 ASP 253 HA -0.06 0.00 0.50 -0.75 4.63 4.33 2g4fB1 ASP 253 HB2 0.02 0.14 0.15 -0.04 2.71 2.98 2g4fB1 ASP 253 HB3 -0.26 -0.10 -0.04 -0.04 2.70 2.26 2g4fB1 CYS 254 H -0.01 0.42 -0.25 -0.55 8.50 8.11 2g4fB1 CYS 254 HA -0.12 -0.02 0.46 -0.75 4.58 4.16 2g4fB1 CYS 254 HB2 -0.02 -0.14 0.01 -0.04 2.97 2.78 2g4fB1 CYS 254 HB3 -0.00 0.16 0.09 -0.04 2.97 3.18 2g4fB1 LEU 255 H -0.02 0.39 -0.05 -0.55 8.37 8.15 2g4fB1 LEU 255 HA -0.03 0.13 0.32 -0.75 4.35 4.01 2g4fB1 LEU 255 HB2 -0.01 -0.01 0.07 -0.04 1.64 1.65 2g4fB1 LEU 255 HB3 -0.01 0.01 0.08 -0.04 1.64 1.67 2g4fB1 LEU 255 HG 0.01 0.05 0.06 -0.04 1.64 1.71 2g4fB1 LEU 255 HD13 0.01 -0.04 -0.21 -0.04 0.93 0.65 2g4fB1 LEU 255 HD23 0.00 0.01 -0.00 -0.04 0.89 0.86 2g4fB1 ALA 256 H -0.05 0.30 -0.50 -0.55 8.40 7.60 2g4fB1 ALA 256 HA -0.04 0.12 0.70 -0.75 4.34 4.37 2g4fB1 ALA 256 HB3 -0.06 -0.03 0.10 -0.04 1.41 1.38 2g4fB1 VAL 257 H -0.07 0.61 -0.30 -0.55 8.24 7.93 2g4fB1 VAL 257 HA -0.07 0.10 0.97 -0.75 4.13 4.38 2g4fB1 VAL 257 HB -0.11 0.05 0.19 -0.04 2.12 2.21 2g4fB1 VAL 257 HG13 -0.07 -0.08 -0.12 -0.04 0.97 0.66 2g4fB1 VAL 257 HG23 -0.15 0.01 -0.11 -0.04 0.95 0.65 2g4fB1 SER 258 H -0.04 0.14 0.12 -0.55 8.46 8.14 2g4fB1 SER 258 HA -0.03 0.24 0.15 -0.75 4.49 4.10 2g4fB1 SER 258 HB2 -0.01 0.06 0.11 -0.04 3.95 4.07 2g4fB1 SER 258 HB3 -0.02 0.02 0.08 -0.04 3.93 3.97 2g4fB1 ARG 259 H -0.02 -0.03 -0.37 -0.55 8.46 7.49 2g4fB1 ARG 259 HA 0.01 0.24 0.74 -0.75 4.34 4.58 2g4fB1 ARG 259 HB2 0.01 -0.06 0.11 -0.04 1.90 1.92 2g4fB1 ARG 259 HB3 0.03 -0.08 0.26 -0.04 1.80 1.97 2g4fB1 ARG 259 HG2 0.03 0.02 0.03 -0.04 1.67 1.71 2g4fB1 ARG 259 HG3 0.01 -0.05 -0.12 -0.04 1.67 1.47 2g4fB1 ARG 259 HD2 0.02 -0.05 0.05 -0.04 3.22 3.20 2g4fB1 ARG 259 HD3 0.04 0.17 -0.04 -0.04 3.22 3.34 2g4fB1 CYS 260 H -0.04 0.51 -0.22 -0.55 8.50 8.20 2g4fB1 CYS 260 HA -0.03 0.08 0.68 -0.75 4.58 4.56 2g4fB1 CYS 260 HB2 -0.09 -0.15 0.14 -0.04 2.97 2.83 2g4fB1 CYS 260 HB3 -0.07 0.46 0.30 -0.04 2.97 3.62 2g4fB1 LEU 261 H -0.02 0.46 0.44 -0.55 8.37 8.70 2g4fB1 LEU 261 HA -0.04 0.18 0.27 -0.75 4.35 4.00 2g4fB1 LEU 261 HB2 0.04 -0.12 0.03 -0.04 1.64 1.55 2g4fB1 LEU 261 HB3 0.15 -0.02 0.01 -0.04 1.64 1.75 2g4fB1 LEU 261 HG 0.06 0.15 0.21 -0.04 1.64 2.02 2g4fB1 LEU 261 HD13 0.14 -0.04 -0.11 -0.04 0.93 0.88 2g4fB1 LEU 261 HD23 0.06 0.01 0.01 -0.04 0.89 0.93 2g4fB1 GLY 262 H -0.28 0.09 0.00 -0.55 8.43 7.70 2g4fB1 GLY 262 HA2 -0.36 0.13 0.27 -0.51 4.01 3.54 2g4fB1 GLY 262 HA3 -1.31 0.06 0.68 -0.51 4.01 2.93 2g4fB1 ILE 263 H -0.38 0.60 0.31 -0.55 8.25 8.24 2g4fB1 ILE 263 HA -0.13 0.18 0.98 -0.75 4.18 4.45 2g4fB1 ILE 263 HB -0.59 0.05 0.12 -0.04 1.89 1.43 2g4fB1 ILE 263 HG12 0.01 -0.06 -0.08 -0.04 1.49 1.31 2g4fB1 ILE 263 HG13 -0.09 -0.01 -0.37 -0.04 1.21 0.70 2g4fB1 ILE 263 HG23 -0.29 -0.04 -0.29 -0.04 0.93 0.27 2g4fB1 ILE 263 HD13 0.14 0.02 -0.07 -0.04 0.88 0.93 2g4fB1 THR 264 H -0.02 0.64 0.14 -0.55 8.28 8.49 2g4fB1 THR 264 HA -0.10 0.18 0.76 -0.75 4.39 4.48 2g4fB1 THR 264 HB 0.09 0.05 0.05 -0.04 4.32 4.46 2g4fB1 THR 264 HG23 0.12 -0.06 -0.51 -0.04 1.22 0.73 2g4fB1 VAL 265 H -0.02 0.59 0.14 -0.55 8.24 8.40 2g4fB1 VAL 265 HA 0.20 0.19 0.89 -0.75 4.13 4.66 2g4fB1 VAL 265 HB 0.31 -0.01 0.04 -0.04 2.12 2.42 2g4fB1 VAL 265 HG13 0.41 -0.02 -0.07 -0.04 0.97 1.24 2g4fB1 VAL 265 HG23 0.28 0.04 0.08 -0.04 0.95 1.32 2g4fB1 TRP 266 H 0.41 0.58 -0.10 -0.55 7.97 8.32 2g4fB1 TRP 266 HA 0.03 0.05 0.35 -0.75 4.62 4.30 2g4fB1 TRP 266 HB2 0.11 0.10 -0.26 -0.04 3.23 3.14 2g4fB1 TRP 266 HB3 0.32 -0.07 0.04 -0.04 3.23 3.48 2g4fB1 TRP 266 HD1 0.37 -0.13 -0.02 -0.04 7.22 7.40 2g4fB1 TRP 266 HE1 0.00 -0.01 -0.05 -0.04 10.20 10.11 2g4fB1 TRP 266 HE3 -0.08 0.10 -0.21 -0.04 7.59 7.36 2g4fB1 TRP 266 HZ2 -0.03 0.11 -0.03 -0.04 7.44 7.45 2g4fB1 TRP 266 HZ3 -0.22 0.08 -0.18 -0.04 7.13 6.76 2g4fB1 TRP 266 HH2 -0.41 0.07 -0.18 -0.04 7.19 6.63 2g4fB1 GLY 267 H -0.17 0.15 0.24 -0.55 8.43 8.11 2g4fB1 GLY 267 HA2 -0.16 0.14 0.36 -0.51 4.01 3.84 2g4fB1 GLY 267 HA3 -0.00 0.12 0.66 -0.51 4.01 4.28 2g4fB1 VAL 268 H 0.06 0.05 0.11 -0.55 8.24 7.92 2g4fB1 VAL 268 HA 0.11 0.21 0.58 -0.75 4.13 4.27 2g4fB1 VAL 268 HB -0.02 -0.13 0.19 -0.04 2.12 2.12 2g4fB1 VAL 268 HG13 -0.23 0.03 -0.12 -0.04 0.97 0.62 2g4fB1 VAL 268 HG23 -0.37 0.05 -0.01 -0.04 0.95 0.58 2g4fB1 ARG 269 H 0.13 0.06 0.13 -0.55 8.46 8.22 2g4fB1 ARG 269 HA 0.22 0.33 0.95 -0.75 4.34 5.09 2g4fB1 ARG 269 HB2 0.11 -0.11 -0.05 -0.04 1.90 1.81 2g4fB1 ARG 269 HB3 0.12 0.03 -0.21 -0.04 1.80 1.70 2g4fB1 ARG 269 HG2 0.09 0.10 -0.17 -0.04 1.67 1.65 2g4fB1 ARG 269 HG3 0.02 -0.09 -0.19 -0.04 1.67 1.37 2g4fB1 ARG 269 HD2 0.07 0.23 -0.03 -0.04 3.22 3.45 2g4fB1 ARG 269 HD3 0.04 0.02 -0.13 -0.04 3.22 3.11 2g4fB1 ASP 270 H 0.13 0.61 0.12 -0.55 8.40 8.72 2g4fB1 ASP 270 HA 0.09 0.02 0.23 -0.75 4.63 4.22 2g4fB1 ASP 270 HB2 0.07 -0.11 0.16 -0.04 2.71 2.78 2g4fB1 ASP 270 HB3 0.05 0.11 0.09 -0.04 2.70 2.90 2g4fB1 THR 271 H 0.06 0.06 -0.28 -0.55 8.28 7.58 2g4fB1 THR 271 HA 0.02 0.12 0.47 -0.75 4.39 4.24 2g4fB1 THR 271 HB 0.01 0.07 0.10 -0.04 4.32 4.46 2g4fB1 THR 271 HG23 0.03 -0.01 0.08 -0.04 1.22 1.27 2g4fB1 ASP 272 H 0.07 0.50 -0.40 -0.55 8.40 8.02 2g4fB1 ASP 272 HA 0.01 0.19 0.82 -0.75 4.63 4.89 2g4fB1 ASP 272 HB2 0.09 -0.02 0.10 -0.04 2.71 2.84 2g4fB1 ASP 272 HB3 0.04 -0.02 0.14 -0.04 2.70 2.83 2g4fB1 SER 273 H 0.05 0.35 -0.18 -0.55 8.46 8.14 2g4fB1 SER 273 HA 0.16 0.17 0.27 -0.75 4.49 4.33 2g4fB1 SER 273 HB2 0.11 0.07 -0.07 -0.04 3.95 4.03 2g4fB1 SER 273 HB3 0.01 0.18 0.01 -0.04 3.93 4.09 2g4fB1 TRP 274 H 0.57 0.23 0.12 -0.55 7.97 8.34 2g4fB1 TRP 274 HA 0.07 0.15 0.54 -0.75 4.62 4.62 2g4fB1 TRP 274 HB2 0.09 0.00 0.12 -0.04 3.23 3.40 2g4fB1 TRP 274 HB3 0.22 0.00 0.11 -0.04 3.23 3.52 2g4fB1 TRP 274 HD1 0.43 0.07 0.02 -0.04 7.22 7.70 2g4fB1 TRP 274 HE1 0.10 0.04 -0.08 -0.04 10.20 10.22 2g4fB1 TRP 274 HE3 -0.00 0.02 -0.03 -0.04 7.59 7.54 2g4fB1 TRP 274 HZ2 -0.18 -0.01 -0.10 -0.04 7.44 7.11 2g4fB1 TRP 274 HZ3 -0.06 0.01 -0.03 -0.04 7.13 7.01 2g4fB1 TRP 274 HH2 -0.11 -0.02 -0.06 -0.04 7.19 6.96 2g4fB1 ALA 275 H -0.39 0.01 -0.72 -0.55 8.40 6.75 2g4fB1 ALA 275 HA -0.51 0.19 0.65 -0.75 4.34 3.91 2g4fB1 ALA 275 HB3 -1.36 0.01 -0.00 -0.04 1.41 0.03 2g4fB1 SER 276 H -0.12 0.40 -0.13 -0.55 8.46 8.06 2g4fB1 SER 276 HA -0.05 0.08 0.32 -0.75 4.49 4.09 2g4fB1 SER 276 HB2 -0.01 -0.07 0.04 -0.04 3.95 3.87 2g4fB1 SER 276 HB3 -0.01 0.14 0.13 -0.04 3.93 4.15 2g4fB1 GLY 277 H -0.11 0.06 -0.39 -0.55 8.43 7.45 2g4fB1 GLY 277 HA2 -0.03 0.11 0.46 -0.51 4.01 4.04 2g4fB1 GLY 277 HA3 -0.06 0.05 0.23 -0.51 4.01 3.71 2g4fB1 ASP 278 H -0.14 0.25 -0.19 -0.55 8.40 7.78 2g4fB1 ASP 278 HA -0.03 0.14 0.58 -0.75 4.63 4.57 2g4fB1 ASP 278 HB2 -0.16 0.18 0.09 -0.04 2.71 2.78 2g4fB1 ASP 278 HB3 -0.04 -0.17 0.16 -0.04 2.70 2.60 2g4fB1 THR 279 H -0.02 0.33 -0.68 -0.55 8.28 7.36 2g4fB1 THR 279 HA 0.03 0.00 0.30 -0.75 4.39 3.96 2g4fB1 THR 279 HB 0.05 -0.07 0.13 -0.04 4.32 4.40 2g4fB1 THR 279 HG23 0.02 0.01 0.06 -0.04 1.22 1.27 2g4fB1 PRO 280 HA 0.15 0.29 0.54 -0.51 4.44 4.91 2g4fB1 PRO 280 HB2 0.16 -0.17 -0.12 -0.04 2.28 2.11 2g4fB1 PRO 280 HB3 0.06 -0.02 -0.31 -0.04 2.02 1.70 2g4fB1 PRO 280 HG2 0.10 0.02 -0.18 -0.04 2.03 1.94 2g4fB1 PRO 280 HG3 -0.09 0.05 -0.14 -0.04 2.03 1.81 2g4fB1 PRO 280 HD2 0.07 0.05 -0.05 -0.04 3.68 3.70 2g4fB1 PRO 280 HD3 -0.02 0.17 -0.08 -0.04 3.65 3.68 2g4fB1 LEU 281 H 0.16 0.07 -0.36 -0.55 8.37 7.69 2g4fB1 LEU 281 HA 0.33 0.24 0.72 -0.75 4.35 4.88 2g4fB1 LEU 281 HB2 0.18 -0.08 -0.25 -0.04 1.64 1.44 2g4fB1 LEU 281 HB3 0.24 0.02 -0.10 -0.04 1.64 1.76 2g4fB1 LEU 281 HG 0.20 -0.12 -0.38 -0.04 1.64 1.30 2g4fB1 LEU 281 HD13 0.16 0.08 -0.68 -0.04 0.93 0.45 2g4fB1 LEU 281 HD23 0.31 0.09 -0.25 -0.04 0.89 1.00 2g4fB1 LEU 282 H 0.23 0.28 0.09 -0.55 8.37 8.42 2g4fB1 LEU 282 HA -0.12 0.07 0.49 -0.75 4.35 4.04 2g4fB1 LEU 282 HB2 0.27 0.12 0.06 -0.04 1.64 2.06 2g4fB1 LEU 282 HB3 -0.06 -0.06 0.10 -0.04 1.64 1.58 2g4fB1 LEU 282 HG -0.08 -0.04 -0.06 -0.04 1.64 1.43 2g4fB1 LEU 282 HD13 0.10 0.04 -0.03 -0.04 0.93 0.99 2g4fB1 LEU 282 HD23 -0.81 0.01 -0.28 -0.04 0.89 -0.24 2g4fB1 PHE 283 H 0.29 0.14 -0.04 -0.55 8.34 8.16 2g4fB1 PHE 283 HA 0.01 0.19 0.90 -0.75 4.62 4.97 2g4fB1 PHE 283 HB2 0.08 0.18 0.09 -0.04 3.15 3.46 2g4fB1 PHE 283 HB3 0.03 0.04 -0.16 -0.04 3.06 2.92 2g4fB1 PHE 283 HD2 0.05 0.05 -0.24 -0.04 7.28 7.10 2g4fB1 PHE 283 HE2 -0.03 0.04 -0.04 -0.04 7.38 7.31 2g4fB1 PHE 283 HZ -0.23 0.04 -0.01 -0.04 7.32 7.08 2g4fB1 ASN 284 H 0.08 0.77 0.16 -0.55 8.53 8.99 2g4fB1 ASN 284 HA 0.08 0.09 0.56 -0.75 4.76 4.73 2g4fB1 ASN 284 HB2 0.05 -0.05 0.08 -0.04 2.88 2.92 2g4fB1 ASN 284 HB3 0.04 -0.07 0.16 -0.04 2.79 2.87 2g4fB1 ASN 284 HD21 -0.01 0.03 -0.14 -0.04 7.03 6.86 2g4fB1 ASN 284 HD22 -0.00 -0.02 -0.10 -0.04 7.74 7.57 2g4fB1 GLY 285 H 0.05 0.23 0.19 -0.55 8.43 8.36 2g4fB1 GLY 285 HA2 0.06 -0.07 0.45 -0.51 4.01 3.93 2g4fB1 GLY 285 HA3 0.04 0.13 0.36 -0.51 4.01 4.02 2g4fB1 ASP 286 H 0.04 0.02 -0.29 -0.55 8.40 7.63 2g4fB1 ASP 286 HA 0.03 0.19 0.50 -0.75 4.63 4.60 2g4fB1 ASP 286 HB2 0.02 0.09 0.13 -0.04 2.71 2.91 2g4fB1 ASP 286 HB3 0.02 -0.00 0.05 -0.04 2.70 2.72 2g4fB1 GLY 287 H 0.09 0.53 -0.47 -0.55 8.43 8.04 2g4fB1 GLY 287 HA2 0.11 0.02 0.19 -0.51 4.01 3.83 2g4fB1 GLY 287 HA3 0.05 0.14 0.34 -0.51 4.01 4.04 2g4fB1 SER 288 H 0.07 -0.06 -0.33 -0.55 8.46 7.59 2g4fB1 SER 288 HA 0.02 0.17 0.63 -0.75 4.49 4.56 2g4fB1 SER 288 HB2 -0.03 0.11 0.03 -0.04 3.95 4.03 2g4fB1 SER 288 HB3 0.01 0.06 0.03 -0.04 3.93 3.99 2g4fB1 LYS 289 H -0.15 0.16 0.19 -0.55 8.42 8.07 2g4fB1 LYS 289 HA -0.76 0.09 0.62 -0.75 4.32 3.51 2g4fB1 LYS 289 HB2 -0.30 -0.02 0.15 -0.04 1.87 1.66 2g4fB1 LYS 289 HB3 -0.51 0.05 0.08 -0.04 1.79 1.36 2g4fB1 LYS 289 HG2 -1.45 0.02 0.08 -0.04 1.46 0.07 2g4fB1 LYS 289 HG3 -0.38 -0.01 0.14 -0.04 1.46 1.16 2g4fB1 LYS 289 HD2 -0.29 -0.01 0.06 -0.04 1.69 1.41 2g4fB1 LYS 289 HD3 -0.52 -0.00 0.03 -0.04 1.68 1.15 2g4fB1 LYS 289 HE2 -1.24 0.02 0.03 -0.04 2.99 1.76 2g4fB1 LYS 289 HE3 -0.41 -0.01 0.04 -0.04 2.99 2.57 2g4fB1 LYS 290 H -0.30 0.62 0.39 -0.55 8.42 8.58 2g4fB1 LYS 290 HA -0.07 0.16 0.68 -0.75 4.32 4.34 2g4fB1 LYS 290 HB2 -0.09 0.08 0.09 -0.04 1.87 1.92 2g4fB1 LYS 290 HB3 -0.03 -0.09 0.16 -0.04 1.79 1.80 2g4fB1 LYS 290 HG2 -0.01 0.01 -0.03 -0.04 1.46 1.39 2g4fB1 LYS 290 HG3 -0.05 -0.04 -0.19 -0.04 1.46 1.14 2g4fB1 LYS 290 HD2 0.05 -0.13 -0.41 -0.04 1.69 1.16 2g4fB1 LYS 290 HD3 0.02 0.08 -0.38 -0.04 1.68 1.35 2g4fB1 LYS 290 HE2 0.05 -0.03 0.02 -0.04 2.99 2.99 2g4fB1 LYS 290 HE3 0.04 -0.04 -0.02 -0.04 2.99 2.92 2g4fB1 ALA 291 H -0.02 0.20 0.19 -0.55 8.40 8.23 2g4fB1 ALA 291 HA -0.02 0.14 0.47 -0.75 4.34 4.17 2g4fB1 ALA 291 HB3 -0.00 0.03 0.14 -0.04 1.41 1.54 2g4fB1 ALA 292 H -0.02 0.15 -0.12 -0.55 8.40 7.85 2g4fB1 ALA 292 HA -0.02 0.01 0.40 -0.75 4.34 3.98 2g4fB1 ALA 292 HB3 -0.16 0.09 -0.04 -0.04 1.41 1.26 2g4fB1 TYR 293 H -0.08 0.16 -0.32 -0.55 8.29 7.50 2g4fB1 TYR 293 HA -0.28 0.03 0.41 -0.75 4.56 3.96 2g4fB1 TYR 293 HB2 -0.49 0.14 0.26 -0.04 3.06 2.92 2g4fB1 TYR 293 HB3 -0.31 0.17 0.17 -0.04 2.98 2.97 2g4fB1 TYR 293 HD2 -0.35 -0.01 -0.20 -0.04 7.15 6.55 2g4fB1 TYR 293 HE2 -0.04 0.05 0.00 -0.04 6.85 6.82 2g4fB1 THR 294 H 0.04 0.32 -0.13 -0.55 8.28 7.97 2g4fB1 THR 294 HA 0.04 0.07 0.40 -0.75 4.39 4.15 2g4fB1 THR 294 HB -0.01 0.13 0.16 -0.04 4.32 4.57 2g4fB1 THR 294 HG23 -0.00 0.00 -0.06 -0.04 1.22 1.12 2g4fB1 ALA 295 H -0.06 0.35 -0.24 -0.55 8.40 7.90 2g4fB1 ALA 295 HA -0.03 0.05 0.41 -0.75 4.34 4.01 2g4fB1 ALA 295 HB3 -0.01 -0.01 0.09 -0.04 1.41 1.45 2g4fB1 VAL 296 H -0.16 0.61 -0.09 -0.55 8.24 8.04 2g4fB1 VAL 296 HA -0.04 0.02 0.39 -0.75 4.13 3.74 2g4fB1 VAL 296 HB -0.38 0.08 0.16 -0.04 2.12 1.94 2g4fB1 VAL 296 HG13 -0.21 -0.01 -0.11 -0.04 0.97 0.61 2g4fB1 VAL 296 HG23 -0.04 0.02 -0.07 -0.04 0.95 0.82 2g4fB1 LEU 297 H -0.34 0.63 -0.08 -0.55 8.37 8.03 2g4fB1 LEU 297 HA -0.26 0.01 0.24 -0.75 4.35 3.59 2g4fB1 LEU 297 HB2 -0.44 -0.01 0.06 -0.04 1.64 1.22 2g4fB1 LEU 297 HB3 -0.12 0.05 0.10 -0.04 1.64 1.63 2g4fB1 LEU 297 HG -0.07 0.01 -0.15 -0.04 1.64 1.39 2g4fB1 LEU 297 HD13 -0.16 0.01 -0.21 -0.04 0.93 0.54 2g4fB1 LEU 297 HD23 0.07 0.01 -0.01 -0.04 0.89 0.91 2g4fB1 ASN 298 H -0.09 0.45 -0.26 -0.55 8.53 8.09 2g4fB1 ASN 298 HA -0.04 0.05 0.28 -0.75 4.76 4.30 2g4fB1 ASN 298 HB2 -0.03 0.01 0.12 -0.04 2.88 2.94 2g4fB1 ASN 298 HB3 -0.02 -0.02 -0.01 -0.04 2.79 2.70 2g4fB1 ASN 298 HD21 -0.02 -0.07 -0.03 -0.04 7.03 6.87 2g4fB1 ASN 298 HD22 -0.02 -0.05 -0.03 -0.04 7.74 7.60 2g4fB1 ALA 299 H -0.05 0.41 -0.21 -0.55 8.40 8.01 2g4fB1 ALA 299 HA -0.02 -0.00 0.34 -0.75 4.34 3.91 2g4fB1 ALA 299 HB3 -0.01 -0.00 0.11 -0.04 1.41 1.47 2g4fB1 LEU 300 H -0.05 0.53 -0.17 -0.55 8.37 8.14 2g4fB1 LEU 300 HA -0.00 0.04 0.35 -0.75 4.35 3.99 2g4fB1 LEU 300 HB2 -0.08 0.05 0.01 -0.04 1.64 1.58 2g4fB1 LEU 300 HB3 -0.02 0.03 -0.28 -0.04 1.64 1.34 2g4fB1 LEU 300 HG -0.01 0.03 -0.01 -0.04 1.64 1.61 2g4fB1 LEU 300 HD13 -0.18 -0.02 -0.11 -0.04 0.93 0.58 2g4fB1 LEU 300 HD23 0.11 -0.01 -0.07 -0.04 0.89 0.88 2g4fB1 ASN 301 H -0.05 0.64 -0.07 -0.55 8.53 8.50 2g4fB1 ASN 301 HA -0.02 0.10 0.70 -0.75 4.76 4.79 2g4fB1 ASN 301 HB2 -0.03 0.08 0.13 -0.04 2.88 3.02 2g4fB1 ASN 301 HB3 -0.02 -0.09 0.11 -0.04 2.79 2.75 2g4fB1 ASN 301 HD21 -0.03 0.28 0.12 -0.04 7.03 7.36 2g4fB1 ASN 301 HD22 -0.04 -0.05 -0.08 -0.04 7.74 7.53 2g4fB1 GLY 302 H -0.02 0.37 -0.86 -0.55 8.43 7.38 2g4fB1 GLY 302 HA2 -0.02 -0.04 -0.15 -0.51 4.01 3.29 2g4fB1 GLY 302 HA3 -0.01 0.04 0.19 -0.51 4.01 3.72