============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TRP 7 1.040 9.441 -45.220 23.778 -99.200 -91.000 TRP6 7 1.020 8.699 -47.109 22.570 -99.200 -91.000 HIS 8 0.900 14.938 -44.234 28.919 -99.200 -91.000 HIS 9 0.900 10.787 -44.708 33.997 -99.200 -91.000 PHE 18 1.000 -3.211 -50.679 24.273 -99.200 -91.000 TYR 22 0.840 -4.328 -46.598 17.891 -99.200 -91.000 PHE 24 1.000 -10.980 -49.182 17.270 -99.200 -91.000 PHE 45 1.000 -19.283 -54.178 28.081 -99.200 -91.000 PHE 51 1.000 -29.015 -55.838 33.066 -99.200 -91.000 TYR 59 0.840 -23.933 -52.874 23.296 -99.200 -91.000 PHE 70 1.000 -23.351 -45.593 30.721 -99.200 -91.000 HIS 86 0.900 -13.222 -36.057 18.588 -99.200 -91.000 PHE 94 1.000 -19.165 -38.937 -2.559 -99.200 -91.000 PHE 108 1.000 -18.853 -39.878 -7.186 -99.200 -91.000 HIS 111 0.900 -20.047 -28.114 2.899 -99.200 -91.000 TYR 112 0.840 -14.164 -27.096 4.613 -99.200 -91.000 TYR 113 0.840 -17.590 -33.522 10.350 -99.200 -91.000 TYR 119 0.840 -1.750 -27.140 3.197 -99.200 -91.000 HIS 120 0.900 -2.477 -31.143 5.404 -99.200 -91.000 TRP 121 1.040 -8.143 -33.526 3.197 -99.200 -91.000 TRP6 121 1.020 -9.335 -35.447 3.890 -99.200 -91.000 HIS 129 0.900 -14.601 -46.870 3.791 -99.200 -91.000 PHE 133 1.000 -30.563 -45.418 4.742 -99.200 -91.000 HIS 143 0.900 -18.229 -49.847 3.904 -99.200 -91.000 PHE 153 1.000 -13.650 -43.463 -5.741 -99.200 -91.000 HIS 161 0.900 5.516 -28.723 -14.828 -99.200 -91.000 PHE 173 1.000 -4.013 -25.150 -1.760 -99.200 -91.000 TYR 205 0.840 -22.623 -50.252 -4.640 -99.200 -91.000 PHE 212 1.000 -24.644 -40.955 -5.302 -99.200 -91.000 PHE 223 1.000 -2.488 -41.422 3.412 -99.200 -91.000 TYR 237 0.840 -9.001 -39.944 8.397 -99.200 -91.000 TYR 246 0.840 -7.727 -50.087 20.675 -99.200 -91.000 PHE 265 1.000 -16.412 -45.266 23.056 -99.200 -91.000 PHE 266 1.000 -20.782 -37.995 24.083 -99.200 -91.000 PHE 283 1.000 -26.450 -41.960 23.551 -99.200 -91.000 TYR 284 0.840 -23.505 -37.672 30.302 -99.200 -91.000 PHE 301 1.000 -33.814 -35.068 45.089 -99.200 -91.000 TYR 325 0.840 6.406 -26.441 11.150 -99.200 -91.000 HIS 329 0.900 3.208 -26.689 21.227 -99.200 -91.000 HIS 332 0.900 8.802 -24.908 32.831 -99.200 -91.000 TYR 339 0.840 10.334 -37.328 27.261 -99.200 -91.000 TYR 346 0.840 -5.005 -23.225 30.905 -99.200 -91.000 TYR 353 0.840 -11.877 -14.474 25.927 -99.200 -91.000 HIS 359 0.900 -13.504 -26.010 39.516 -99.200 -91.000 PHE 362 1.000 -11.624 -34.065 38.252 -99.200 -91.000 TRP 377 1.040 1.467 -37.412 35.893 -99.200 -91.000 TRP6 377 1.020 1.295 -35.093 36.325 -99.200 -91.000 PHE 396 1.000 -20.283 -28.924 24.355 -99.200 -91.000 PHE 397 1.000 -19.456 -35.109 28.574 -99.200 -91.000 HIS 413 0.900 -8.480 -31.158 13.140 -99.200 -91.000 PHE 416 1.000 0.893 -41.845 7.833 -99.200 -91.000 PHE 425 1.000 1.302 -50.303 28.003 -99.200 -91.000 TYR 428 0.840 -4.628 -50.484 28.724 -99.200 -91.000 TYR 431 0.840 -7.890 -42.141 28.818 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2glfB1 LYS 3 HA -0.01 0.03 0.06 -0.75 4.32 3.65 2glfB1 LYS 3 HB2 -0.00 -0.05 0.03 -0.04 1.87 1.81 2glfB1 LYS 3 HB3 -0.00 0.01 0.04 -0.04 1.79 1.79 2glfB1 LYS 3 HG2 -0.00 -0.01 0.01 -0.04 1.46 1.42 2glfB1 LYS 3 HG3 0.00 -0.04 0.01 -0.04 1.46 1.39 2glfB1 LYS 3 HD2 -0.00 0.00 0.01 -0.04 1.69 1.66 2glfB1 LYS 3 HD3 -0.01 0.06 0.03 -0.04 1.68 1.71 2glfB1 LYS 3 HE2 0.00 -0.04 0.00 -0.04 2.99 2.92 2glfB1 LYS 3 HE3 -0.00 0.02 0.00 -0.04 2.99 2.98 2glfB1 GLU 5 HA -0.05 -0.11 0.37 -0.75 4.29 3.74 2glfB1 GLU 5 HB2 -0.01 0.02 -0.20 -0.04 2.09 1.86 2glfB1 GLU 5 HB3 -0.01 -0.03 -0.07 -0.04 1.99 1.83 2glfB1 GLU 5 HG2 0.03 0.13 -0.27 -0.04 2.34 2.19 2glfB1 GLU 5 HG3 -0.01 -0.08 0.01 -0.04 2.34 2.22 2glfB1 ARG 6 H -0.08 0.02 0.12 -0.55 8.46 7.97 2glfB1 ARG 6 HA -0.11 0.12 0.56 -0.75 4.34 4.15 2glfB1 ARG 6 HB2 -0.10 -0.10 0.12 -0.04 1.90 1.78 2glfB1 ARG 6 HB3 0.14 0.09 0.02 -0.04 1.80 2.01 2glfB1 ARG 6 HG2 -0.19 0.14 0.12 -0.04 1.67 1.70 2glfB1 ARG 6 HG3 -0.16 -0.05 0.10 -0.04 1.67 1.52 2glfB1 ARG 6 HD2 -0.08 0.01 0.04 -0.04 3.22 3.15 2glfB1 ARG 6 HD3 -0.14 -0.03 0.07 -0.04 3.22 3.08 2glfB1 LYS 7 H -0.03 0.19 0.18 -0.55 8.42 8.21 2glfB1 LYS 7 HA 0.16 0.13 0.75 -0.75 4.32 4.61 2glfB1 LYS 7 HB2 -0.13 -0.02 -0.02 -0.04 1.87 1.66 2glfB1 LYS 7 HB3 0.12 -0.02 -0.04 -0.04 1.79 1.81 2glfB1 LYS 7 HG2 0.04 0.00 -0.07 -0.04 1.46 1.40 2glfB1 LYS 7 HG3 -0.09 0.11 -0.01 -0.04 1.46 1.43 2glfB1 LYS 7 HD2 -0.37 0.01 -0.05 -0.04 1.69 1.24 2glfB1 LYS 7 HD3 -0.70 -0.03 -0.05 -0.04 1.68 0.87 2glfB1 LYS 7 HE2 -0.07 -0.03 -0.02 -0.04 2.99 2.82 2glfB1 LYS 7 HE3 -0.13 0.06 -0.01 -0.04 2.99 2.88 2glfB1 ASN 8 H 0.06 0.16 0.12 -0.55 8.53 8.32 2glfB1 ASN 8 HA -0.61 0.30 0.87 -0.75 4.76 4.56 2glfB1 ASN 8 HB2 -0.53 0.07 0.05 -0.04 2.88 2.43 2glfB1 ASN 8 HB3 -0.52 -0.06 0.16 -0.04 2.79 2.33 2glfB1 ASN 8 HD21 -0.16 -0.04 0.04 -0.04 7.03 6.84 2glfB1 ASN 8 HD22 -0.96 0.04 -0.04 -0.04 7.74 6.73 2glfB1 VAL 9 H -0.21 0.43 0.18 -0.55 8.24 8.09 2glfB1 VAL 9 HA -0.00 0.13 0.26 -0.75 4.13 3.77 2glfB1 VAL 9 HB -0.38 -0.12 0.00 -0.04 2.12 1.58 2glfB1 VAL 9 HG13 -0.17 0.05 -0.08 -0.04 0.97 0.73 2glfB1 VAL 9 HG23 -0.11 0.04 -0.12 -0.04 0.95 0.71 2glfB1 TRP 10 H -0.04 0.12 -0.25 -0.55 7.97 7.25 2glfB1 TRP 10 HA -0.06 0.09 0.41 -0.75 4.62 4.31 2glfB1 TRP 10 HB2 -0.22 0.02 0.02 -0.04 3.23 3.00 2glfB1 TRP 10 HB3 -0.05 0.05 0.09 -0.04 3.23 3.27 2glfB1 TRP 10 HD1 -0.20 0.07 0.08 -0.04 7.22 7.12 2glfB1 TRP 10 HE1 -0.07 -0.04 0.06 -0.04 10.20 10.11 2glfB1 TRP 10 HE3 -0.04 0.03 0.07 -0.04 7.59 7.60 2glfB1 TRP 10 HZ2 -0.01 0.07 0.22 -0.04 7.44 7.67 2glfB1 TRP 10 HZ3 -0.04 0.04 0.02 -0.04 7.13 7.11 2glfB1 TRP 10 HH2 -0.01 0.14 0.02 -0.04 7.19 7.29 2glfB1 HIS 11 H 0.02 0.50 -0.38 -0.55 8.41 8.00 2glfB1 HIS 11 HA -0.08 0.13 0.75 -0.75 4.63 4.68 2glfB1 HIS 11 HB2 -0.28 0.15 0.11 -0.04 3.26 3.20 2glfB1 HIS 11 HB3 -0.39 -0.00 0.11 -0.04 3.20 2.88 2glfB1 HIS 11 HD2 0.01 0.07 -0.26 -0.04 6.97 6.75 2glfB1 HIS 11 HE1 0.00 -0.00 0.01 -0.04 7.75 7.71 2glfB1 HIS 12 H 0.05 0.35 -0.19 -0.55 8.41 8.08 2glfB1 HIS 12 HA 0.03 0.19 0.90 -0.75 4.63 5.00 2glfB1 HIS 12 HB2 -0.01 -0.02 -0.01 -0.04 3.26 3.19 2glfB1 HIS 12 HB3 0.01 0.04 0.15 -0.04 3.20 3.35 2glfB1 HIS 12 HD2 -0.00 0.10 -0.32 -0.04 6.97 6.70 2glfB1 HIS 12 HE1 0.03 -0.01 -0.05 -0.04 7.75 7.68 2glfB1 ARG 13 H 0.02 0.23 -0.06 -0.55 8.46 8.10 2glfB1 ARG 13 HA 0.01 0.17 0.83 -0.75 4.34 4.59 2glfB1 ARG 13 HB2 -0.07 0.14 -0.06 -0.04 1.90 1.87 2glfB1 ARG 13 HB3 -0.22 -0.09 -0.14 -0.04 1.80 1.32 2glfB1 ARG 13 HG2 0.25 -0.06 -0.05 -0.04 1.67 1.77 2glfB1 ARG 13 HG3 0.12 -0.03 0.10 -0.04 1.67 1.82 2glfB1 ARG 13 HD2 0.07 0.13 -0.35 -0.04 3.22 3.04 2glfB1 ARG 13 HD3 0.08 -0.10 -0.06 -0.04 3.22 3.10 2glfB1 LYS 14 H -0.06 0.20 0.12 -0.55 8.42 8.13 2glfB1 LYS 14 HA -0.02 0.09 0.47 -0.75 4.32 4.11 2glfB1 LYS 14 HB2 -0.07 0.03 0.21 -0.04 1.87 2.00 2glfB1 LYS 14 HB3 -0.04 -0.14 0.09 -0.04 1.79 1.66 2glfB1 LYS 14 HG2 -0.00 0.03 0.05 -0.04 1.46 1.49 2glfB1 LYS 14 HG3 -0.00 0.08 0.07 -0.04 1.46 1.57 2glfB1 LYS 14 HD2 -0.00 -0.06 0.03 -0.04 1.69 1.62 2glfB1 LYS 14 HD3 0.01 0.05 0.02 -0.04 1.68 1.71 2glfB1 LYS 14 HE2 0.01 -0.05 0.05 -0.04 2.99 2.97 2glfB1 LYS 14 HE3 0.02 0.04 0.02 -0.04 2.99 3.02 2glfB1 LYS 15 H 0.02 0.23 0.26 -0.55 8.42 8.38 2glfB1 LYS 15 HA 0.07 0.08 0.38 -0.75 4.32 4.10 2glfB1 LYS 15 HB2 0.10 0.08 0.21 -0.04 1.87 2.22 2glfB1 LYS 15 HB3 0.06 -0.01 0.05 -0.04 1.79 1.85 2glfB1 LYS 15 HG2 0.34 0.01 0.10 -0.04 1.46 1.87 2glfB1 LYS 15 HG3 0.11 0.03 0.05 -0.04 1.46 1.61 2glfB1 LYS 15 HD2 0.07 0.00 -0.10 -0.04 1.69 1.63 2glfB1 LYS 15 HD3 0.13 -0.09 0.10 -0.04 1.68 1.78 2glfB1 LYS 15 HE2 0.10 0.02 0.01 -0.04 2.99 3.08 2glfB1 LYS 15 HE3 0.25 0.01 0.03 -0.04 2.99 3.23 2glfB1 GLU 16 H -0.02 0.03 -0.36 -0.55 8.60 7.70 2glfB1 GLU 16 HA 0.01 0.13 0.46 -0.75 4.29 4.14 2glfB1 GLU 16 HB2 -0.00 0.07 -0.08 -0.04 2.09 2.04 2glfB1 GLU 16 HB3 0.01 0.06 0.05 -0.04 1.99 2.07 2glfB1 GLU 16 HG2 -0.01 -0.09 0.03 -0.04 2.34 2.23 2glfB1 GLU 16 HG3 0.00 0.07 0.01 -0.04 2.34 2.39 2glfB1 GLU 17 H -0.11 0.12 -0.14 -0.55 8.60 7.91 2glfB1 GLU 17 HA -0.05 0.09 0.44 -0.75 4.29 4.03 2glfB1 GLU 17 HB2 -0.35 0.06 0.18 -0.04 2.09 1.94 2glfB1 GLU 17 HB3 -0.46 0.07 -0.04 -0.04 1.99 1.51 2glfB1 GLU 17 HG2 0.04 0.06 0.03 -0.04 2.34 2.43 2glfB1 GLU 17 HG3 -0.03 -0.10 0.05 -0.04 2.34 2.22 2glfB1 ILE 18 H -0.45 0.48 -0.08 -0.55 8.25 7.64 2glfB1 ILE 18 HA -0.53 0.04 0.27 -0.75 4.18 3.22 2glfB1 ILE 18 HB -0.24 0.06 0.00 -0.04 1.89 1.66 2glfB1 ILE 18 HG12 -0.77 -0.01 -0.07 -0.04 1.49 0.60 2glfB1 ILE 18 HG13 -0.66 0.10 -0.11 -0.04 1.21 0.49 2glfB1 ILE 18 HG23 -0.46 0.00 -0.30 -0.04 0.93 0.13 2glfB1 ILE 18 HD13 -0.64 -0.02 -0.18 -0.04 0.88 0.01 2glfB1 GLU 19 H -0.03 0.40 -0.33 -0.55 8.60 8.08 2glfB1 GLU 19 HA 0.08 0.03 0.38 -0.75 4.29 4.03 2glfB1 GLU 19 HB2 0.08 0.09 0.16 -0.04 2.09 2.38 2glfB1 GLU 19 HB3 0.03 0.04 0.15 -0.04 1.99 2.18 2glfB1 GLU 19 HG2 0.05 -0.04 -0.01 -0.04 2.34 2.30 2glfB1 GLU 19 HG3 0.05 -0.00 -0.19 -0.04 2.34 2.16 2glfB1 ALA 20 H 0.03 0.49 -0.13 -0.55 8.40 8.24 2glfB1 ALA 20 HA 0.05 0.03 0.48 -0.75 4.34 4.14 2glfB1 ALA 20 HB3 0.06 0.02 0.12 -0.04 1.41 1.57 2glfB1 PHE 21 H 0.21 0.63 -0.05 -0.55 8.34 8.57 2glfB1 PHE 21 HA 0.07 0.04 0.36 -0.75 4.62 4.34 2glfB1 PHE 21 HB2 0.20 0.02 0.06 -0.04 3.15 3.39 2glfB1 PHE 21 HB3 0.18 0.05 -0.00 -0.04 3.06 3.25 2glfB1 PHE 21 HD2 -0.00 -0.01 -0.15 -0.04 7.28 7.08 2glfB1 PHE 21 HE2 -0.43 0.03 -0.10 -0.04 7.38 6.84 2glfB1 PHE 21 HZ -0.39 -0.01 -0.03 -0.04 7.32 6.84 2glfB1 SER 22 H 0.14 0.27 -0.68 -0.55 8.46 7.64 2glfB1 SER 22 HA 0.13 0.00 0.46 -0.75 4.49 4.33 2glfB1 SER 22 HB2 0.12 0.23 0.14 -0.04 3.95 4.41 2glfB1 SER 22 HB3 0.09 0.08 0.01 -0.04 3.93 4.07 2glfB1 LYS 23 H 0.04 0.37 -0.00 -0.55 8.42 8.27 2glfB1 LYS 23 HA -0.00 0.03 0.40 -0.75 4.32 3.99 2glfB1 LYS 23 HB2 0.01 0.10 0.18 -0.04 1.87 2.12 2glfB1 LYS 23 HB3 -0.00 -0.02 0.03 -0.04 1.79 1.76 2glfB1 LYS 23 HG2 0.03 0.01 0.07 -0.04 1.46 1.53 2glfB1 LYS 23 HG3 0.03 -0.06 0.03 -0.04 1.46 1.42 2glfB1 LYS 23 HD2 0.01 -0.02 0.02 -0.04 1.69 1.66 2glfB1 LYS 23 HD3 0.01 0.04 0.03 -0.04 1.68 1.71 2glfB1 LYS 23 HE2 0.02 -0.03 0.00 -0.04 2.99 2.93 2glfB1 LYS 23 HE3 0.03 -0.01 -0.00 -0.04 2.99 2.96 2glfB1 GLU 24 H -0.05 0.27 -0.38 -0.55 8.60 7.89 2glfB1 GLU 24 HA -0.05 0.05 0.40 -0.75 4.29 3.93 2glfB1 GLU 24 HB2 -0.18 0.09 0.04 -0.04 2.09 2.00 2glfB1 GLU 24 HB3 -0.01 -0.04 -0.05 -0.04 1.99 1.86 2glfB1 GLU 24 HG2 -0.00 -0.04 -0.03 -0.04 2.34 2.22 2glfB1 GLU 24 HG3 -0.01 0.14 0.03 -0.04 2.34 2.46 2glfB1 TYR 25 H -0.17 0.29 -0.25 -0.55 8.29 7.61 2glfB1 TYR 25 HA -1.37 -0.02 0.26 -0.75 4.56 2.67 2glfB1 TYR 25 HB2 -0.41 -0.03 0.07 -0.04 3.06 2.64 2glfB1 TYR 25 HB3 -0.23 0.13 0.15 -0.04 2.98 2.99 2glfB1 TYR 25 HD2 -0.34 0.02 0.01 -0.04 7.15 6.79 2glfB1 TYR 25 HE2 0.03 -0.04 -0.16 -0.04 6.85 6.65 2glfB1 GLU 27 HA -0.07 -0.10 0.28 -0.75 4.29 3.65 2glfB1 GLU 27 HB2 -0.05 0.16 0.09 -0.04 2.09 2.25 2glfB1 GLU 27 HB3 -0.03 -0.10 -0.09 -0.04 1.99 1.73 2glfB1 GLU 27 HG2 -0.04 0.26 0.12 -0.04 2.34 2.64 2glfB1 GLU 27 HG3 -0.02 -0.12 -0.01 -0.04 2.34 2.15 2glfB1 PHE 28 H -0.10 0.50 -1.03 -0.55 8.34 7.15 2glfB1 PHE 28 HA -0.15 -0.07 0.25 -0.75 4.62 3.90 2glfB1 PHE 28 HB2 -0.38 0.02 0.04 -0.04 3.15 2.78 2glfB1 PHE 28 HB3 -0.59 0.30 0.16 -0.04 3.06 2.89 2glfB1 PHE 28 HD2 -0.08 0.05 0.00 -0.04 7.28 7.22 2glfB1 PHE 28 HE2 0.04 -0.03 -0.03 -0.04 7.38 7.31 2glfB1 PHE 28 HZ -0.02 -0.03 -0.01 -0.04 7.32 7.22 2glfB1 SER 30 HA -0.07 -0.06 0.25 -0.75 4.49 3.85 2glfB1 SER 30 HB2 -0.05 -0.07 0.13 -0.04 3.95 3.91 2glfB1 SER 30 HB3 -0.07 -0.04 0.11 -0.04 3.93 3.89 2glfB1 LYS 31 H -0.27 0.60 2.09 -0.55 8.42 10.29 2glfB1 LYS 31 HA -0.19 0.09 0.95 -0.75 4.32 4.42 2glfB1 LYS 31 HB2 -0.35 0.17 0.16 -0.04 1.87 1.80 2glfB1 LYS 31 HB3 -0.22 -0.19 0.04 -0.04 1.79 1.38 2glfB1 LYS 31 HG2 -0.13 0.06 -0.35 -0.04 1.46 1.01 2glfB1 LYS 31 HG3 -0.12 0.07 -0.11 -0.04 1.46 1.26 2glfB1 LYS 31 HD2 -0.11 -0.10 -0.03 -0.04 1.69 1.40 2glfB1 LYS 31 HD3 -0.11 -0.03 -0.03 -0.04 1.68 1.47 2glfB1 LYS 31 HE2 -0.05 -0.09 -0.05 -0.04 2.99 2.75 2glfB1 LYS 31 HE3 -0.05 0.04 -0.08 -0.04 2.99 2.85 2glfB1 ALA 32 H -0.43 0.45 0.25 -0.55 8.40 8.12 2glfB1 ALA 32 HA -0.27 0.12 0.89 -0.75 4.34 4.34 2glfB1 ALA 32 HB3 -0.55 -0.01 0.16 -0.04 1.41 0.97 2glfB1 LYS 33 H -0.17 0.19 0.06 -0.55 8.42 7.95 2glfB1 LYS 33 HA 0.09 0.24 0.79 -0.75 4.32 4.69 2glfB1 LYS 33 HB2 -0.18 -0.06 -0.09 -0.04 1.87 1.50 2glfB1 LYS 33 HB3 0.11 0.00 0.01 -0.04 1.79 1.87 2glfB1 LYS 33 HG2 -0.06 0.02 -0.55 -0.04 1.46 0.83 2glfB1 LYS 33 HG3 -0.20 0.05 -0.31 -0.04 1.46 0.95 2glfB1 LYS 33 HD2 -0.01 0.08 -0.16 -0.04 1.69 1.56 2glfB1 LYS 33 HD3 0.03 -0.07 -0.15 -0.04 1.68 1.46 2glfB1 LYS 33 HE2 0.18 -0.10 -0.07 -0.04 2.99 2.97 2glfB1 LYS 33 HE3 0.13 -0.01 -0.11 -0.04 2.99 2.97 2glfB1 THR 34 H -0.07 0.22 0.15 -0.55 8.28 8.04 2glfB1 THR 34 HA 0.06 0.16 0.75 -0.75 4.39 4.61 2glfB1 THR 34 HB -0.01 -0.10 0.13 -0.04 4.32 4.31 2glfB1 THR 34 HG23 0.04 0.03 -0.23 -0.04 1.22 1.02 2glfB1 GLU 35 H -0.00 0.07 0.16 -0.55 8.60 8.29 2glfB1 GLU 35 HA 0.02 0.27 0.36 -0.75 4.29 4.19 2glfB1 GLU 35 HB2 0.04 0.05 0.01 -0.04 2.09 2.15 2glfB1 GLU 35 HB3 0.03 -0.09 0.09 -0.04 1.99 1.98 2glfB1 GLU 35 HG2 -0.02 0.13 -0.24 -0.04 2.34 2.17 2glfB1 GLU 35 HG3 -0.01 -0.10 0.00 -0.04 2.34 2.19 2glfB1 ARG 36 H -0.03 -0.00 -0.28 -0.55 8.46 7.60 2glfB1 ARG 36 HA -0.03 0.33 0.49 -0.75 4.34 4.37 2glfB1 ARG 36 HB2 -0.02 -0.00 0.08 -0.04 1.90 1.91 2glfB1 ARG 36 HB3 -0.02 0.02 0.12 -0.04 1.80 1.88 2glfB1 ARG 36 HG2 -0.02 0.11 -0.01 -0.04 1.67 1.72 2glfB1 ARG 36 HG3 -0.02 -0.12 -0.02 -0.04 1.67 1.47 2glfB1 ARG 36 HD2 -0.03 -0.01 0.02 -0.04 3.22 3.17 2glfB1 ARG 36 HD3 -0.02 0.03 0.01 -0.04 3.22 3.20 2glfB1 THR 38 HA -0.23 -0.04 0.33 -0.75 4.39 3.70 2glfB1 THR 38 HB -0.04 0.05 -0.02 -0.04 4.32 4.27 2glfB1 THR 38 HG23 0.03 -0.02 -0.08 -0.04 1.22 1.11 2glfB1 VAL 39 H -0.08 0.56 -0.86 -0.55 8.24 7.31 2glfB1 VAL 39 HA -0.16 -0.03 0.33 -0.75 4.13 3.51 2glfB1 VAL 39 HB -0.06 0.25 0.10 -0.04 2.12 2.37 2glfB1 VAL 39 HG13 -0.08 -0.09 -0.30 -0.04 0.97 0.46 2glfB1 VAL 39 HG23 -0.05 0.01 -0.35 -0.04 0.95 0.52 2glfB1 LYS 40 H -0.09 0.78 0.30 -0.55 8.42 8.86 2glfB1 LYS 40 HA -0.08 -0.02 0.36 -0.75 4.32 3.84 2glfB1 LYS 40 HB2 -0.06 0.03 0.11 -0.04 1.87 1.91 2glfB1 LYS 40 HB3 -0.09 0.04 -0.04 -0.04 1.79 1.66 2glfB1 LYS 40 HG2 -0.06 -0.02 -0.18 -0.04 1.46 1.16 2glfB1 LYS 40 HG3 -0.04 -0.05 -0.00 -0.04 1.46 1.33 2glfB1 LYS 40 HD2 -0.06 -0.02 -0.04 -0.04 1.69 1.53 2glfB1 LYS 40 HD3 -0.09 0.06 -0.12 -0.04 1.68 1.48 2glfB1 LYS 40 HE2 -0.05 -0.01 -0.08 -0.04 2.99 2.81 2glfB1 LYS 40 HE3 -0.03 -0.04 -0.04 -0.04 2.99 2.84 2glfB1 GLU 41 H -0.12 0.18 -0.35 -0.55 8.60 7.77 2glfB1 GLU 41 HA -0.06 0.03 0.33 -0.75 4.29 3.84 2glfB1 GLU 41 HB2 -0.22 0.04 -0.00 -0.04 2.09 1.87 2glfB1 GLU 41 HB3 -0.13 0.07 0.08 -0.04 1.99 1.98 2glfB1 GLU 41 HG2 -0.31 0.10 -0.02 -0.04 2.34 2.07 2glfB1 GLU 41 HG3 0.17 -0.02 -0.12 -0.04 2.34 2.33 2glfB1 ILE 42 H -0.06 0.76 -0.03 -0.55 8.25 8.38 2glfB1 ILE 42 HA -0.06 0.00 0.32 -0.75 4.18 3.69 2glfB1 ILE 42 HB -0.31 0.06 0.10 -0.04 1.89 1.69 2glfB1 ILE 42 HG12 -0.13 -0.03 -0.01 -0.04 1.49 1.28 2glfB1 ILE 42 HG13 0.06 0.18 0.07 -0.04 1.21 1.49 2glfB1 ILE 42 HG23 -0.59 -0.02 -0.18 -0.04 0.93 0.10 2glfB1 ILE 42 HD13 -0.86 -0.03 -0.12 -0.04 0.88 -0.17 2glfB1 LYS 43 H -0.18 0.65 -0.40 -0.55 8.42 7.93 2glfB1 LYS 43 HA -0.44 -0.02 0.31 -0.75 4.32 3.41 2glfB1 LYS 43 HB2 -0.22 -0.03 0.03 -0.04 1.87 1.61 2glfB1 LYS 43 HB3 -0.13 0.16 0.11 -0.04 1.79 1.89 2glfB1 LYS 43 HG2 -0.10 0.01 -0.26 -0.04 1.46 1.07 2glfB1 LYS 43 HG3 -0.45 -0.05 -0.02 -0.04 1.46 0.90 2glfB1 LYS 43 HD2 -0.04 -0.08 -0.06 -0.04 1.69 1.47 2glfB1 LYS 43 HD3 -0.03 0.02 -0.05 -0.04 1.68 1.57 2glfB1 LYS 43 HE2 0.26 -0.00 -0.05 -0.04 2.99 3.15 2glfB1 LYS 43 HE3 0.12 -0.05 -0.04 -0.04 2.99 2.98 2glfB1 ARG 44 H -0.09 0.54 -0.11 -0.55 8.46 8.24 2glfB1 ARG 44 HA -0.03 0.02 0.58 -0.75 4.34 4.16 2glfB1 ARG 44 HB2 -0.01 -0.06 0.05 -0.04 1.90 1.84 2glfB1 ARG 44 HB3 -0.03 -0.02 0.08 -0.04 1.80 1.80 2glfB1 ARG 44 HG2 -0.04 0.13 0.18 -0.04 1.67 1.91 2glfB1 ARG 44 HG3 -0.01 0.03 -0.03 -0.04 1.67 1.62 2glfB1 ARG 44 HD2 -0.02 -0.05 -0.03 -0.04 3.22 3.08 2glfB1 ARG 44 HD3 -0.02 -0.00 -0.04 -0.04 3.22 3.12 2glfB1 ILE 45 H -0.06 0.51 -0.12 -0.55 8.25 8.03 2glfB1 ILE 45 HA -0.00 0.01 0.35 -0.75 4.18 3.78 2glfB1 ILE 45 HB -0.09 0.11 0.06 -0.04 1.89 1.93 2glfB1 ILE 45 HG12 0.04 -0.03 -0.04 -0.04 1.49 1.43 2glfB1 ILE 45 HG13 0.04 0.10 -0.01 -0.04 1.21 1.30 2glfB1 ILE 45 HG23 -0.05 -0.01 -0.14 -0.04 0.93 0.69 2glfB1 ILE 45 HD13 0.13 -0.02 -0.11 -0.04 0.88 0.84 2glfB1 LEU 46 H -0.18 0.42 -0.38 -0.55 8.37 7.69 2glfB1 LEU 46 HA -0.23 0.08 0.37 -0.75 4.35 3.82 2glfB1 LEU 46 HB2 -0.40 0.13 0.08 -0.04 1.64 1.42 2glfB1 LEU 46 HB3 -0.24 -0.04 -0.14 -0.04 1.64 1.18 2glfB1 LEU 46 HG -0.40 0.18 -0.04 -0.04 1.64 1.34 2glfB1 LEU 46 HD13 -0.49 -0.04 -0.17 -0.04 0.93 0.19 2glfB1 LEU 46 HD23 -1.11 0.00 -0.11 -0.04 0.89 -0.37 2glfB1 ASP 47 H -0.01 0.49 -0.06 -0.55 8.40 8.27 2glfB1 ASP 47 HA 0.24 0.19 0.40 -0.75 4.63 4.70 2glfB1 ASP 47 HB2 0.05 0.03 0.21 -0.04 2.71 2.96 2glfB1 ASP 47 HB3 0.10 -0.07 0.01 -0.04 2.70 2.70 2glfB1 GLU 48 H 0.05 0.64 -0.21 -0.55 8.60 8.54 2glfB1 GLU 48 HA 0.07 -0.01 0.42 -0.75 4.29 4.02 2glfB1 GLU 48 HB2 0.04 0.12 0.05 -0.04 2.09 2.26 2glfB1 GLU 48 HB3 0.05 -0.09 0.08 -0.04 1.99 1.99 2glfB1 GLU 48 HG2 0.04 -0.09 0.00 -0.04 2.34 2.25 2glfB1 GLU 48 HG3 0.03 0.27 0.03 -0.04 2.34 2.63 2glfB1 SER 49 H 0.15 0.33 -0.64 -0.55 8.46 7.76 2glfB1 SER 49 HA 0.12 0.11 0.82 -0.75 4.49 4.79 2glfB1 SER 49 HB2 0.30 0.04 0.13 -0.04 3.95 4.38 2glfB1 SER 49 HB3 0.26 -0.03 0.17 -0.04 3.93 4.29 2glfB1 GLY 50 H 0.18 0.35 -0.26 -0.55 8.43 8.15 2glfB1 GLY 50 HA2 0.08 -0.08 0.30 -0.51 4.01 3.81 2glfB1 GLY 50 HA3 0.04 0.13 0.76 -0.51 4.01 4.43 2glfB1 PHE 51 H 0.57 0.34 -0.09 -0.55 8.34 8.61 2glfB1 PHE 51 HA 0.10 0.43 0.62 -0.75 4.62 5.02 2glfB1 PHE 51 HB2 0.32 -0.13 -0.24 -0.04 3.15 3.06 2glfB1 PHE 51 HB3 0.41 -0.09 -0.19 -0.04 3.06 3.14 2glfB1 PHE 51 HD2 0.14 0.08 -0.25 -0.04 7.28 7.20 2glfB1 PHE 51 HE2 0.07 0.04 -0.14 -0.04 7.38 7.30 2glfB1 PHE 51 HZ 0.05 0.03 -0.17 -0.04 7.32 7.19 2glfB1 VAL 52 H 0.09 0.45 0.36 -0.55 8.24 8.58 2glfB1 VAL 52 HA -0.00 0.12 0.71 -0.75 4.13 4.21 2glfB1 VAL 52 HB 0.02 -0.03 0.07 -0.04 2.12 2.14 2glfB1 VAL 52 HG13 0.08 0.04 -0.20 -0.04 0.97 0.84 2glfB1 VAL 52 HG23 0.14 0.02 -0.14 -0.04 0.95 0.93 2glfB1 PRO 53 HA -0.57 0.26 0.67 -0.51 4.44 4.29 2glfB1 PRO 53 HB2 -0.04 -0.06 0.10 -0.04 2.28 2.24 2glfB1 PRO 53 HB3 -0.04 -0.02 0.15 -0.04 2.02 2.07 2glfB1 PRO 53 HG2 0.02 0.03 0.08 -0.04 2.03 2.11 2glfB1 PRO 53 HG3 -0.08 0.05 0.05 -0.04 2.03 2.01 2glfB1 PRO 53 HD2 -0.04 0.13 0.17 -0.04 3.68 3.90 2glfB1 PRO 53 HD3 -0.07 0.21 0.17 -0.04 3.65 3.92 2glfB1 LEU 54 H -0.06 0.58 0.38 -0.55 8.37 8.72 2glfB1 LEU 54 HA 0.02 0.13 0.37 -0.75 4.35 4.11 2glfB1 LEU 54 HB2 0.07 -0.02 0.04 -0.04 1.64 1.69 2glfB1 LEU 54 HB3 0.08 -0.07 0.06 -0.04 1.64 1.66 2glfB1 LEU 54 HG 0.03 0.01 -0.20 -0.04 1.64 1.44 2glfB1 LEU 54 HD13 -0.05 0.02 -0.03 -0.04 0.93 0.83 2glfB1 LEU 54 HD23 0.03 -0.01 -0.06 -0.04 0.89 0.81 2glfB1 GLU 55 H 0.04 0.01 -0.25 -0.55 8.60 7.85 2glfB1 GLU 55 HA 0.05 0.04 0.31 -0.75 4.29 3.94 2glfB1 GLU 55 HB2 0.06 -0.05 0.10 -0.04 2.09 2.16 2glfB1 GLU 55 HB3 0.04 0.00 -0.01 -0.04 1.99 1.98 2glfB1 GLU 55 HG2 0.04 0.05 -0.06 -0.04 2.34 2.33 2glfB1 GLU 55 HG3 0.04 -0.02 0.06 -0.04 2.34 2.39 2glfB1 ASP 56 H 0.04 0.46 -0.53 -0.55 8.40 7.82 2glfB1 ASP 56 HA 0.03 0.21 0.81 -0.75 4.63 4.93 2glfB1 ASP 56 HB2 0.01 -0.03 0.14 -0.04 2.71 2.79 2glfB1 ASP 56 HB3 0.02 -0.03 -0.13 -0.04 2.70 2.52 2glfB1 PHE 57 H 0.17 0.34 -0.08 -0.55 8.34 8.22 2glfB1 PHE 57 HA -0.02 0.04 0.54 -0.75 4.62 4.42 2glfB1 PHE 57 HB2 -0.03 -0.00 -0.06 -0.04 3.15 3.02 2glfB1 PHE 57 HB3 -0.02 0.06 0.02 -0.04 3.06 3.08 2glfB1 PHE 57 HD2 -0.02 0.02 -0.20 -0.04 7.28 7.03 2glfB1 PHE 57 HE2 -0.03 0.06 -0.42 -0.04 7.38 6.95 2glfB1 PHE 57 HZ -0.02 0.22 -0.47 -0.04 7.32 7.01 2glfB1 ALA 58 H -0.99 -0.03 0.13 -0.55 8.40 6.97 2glfB1 ALA 58 HA -0.35 0.24 0.95 -0.75 4.34 4.42 2glfB1 ALA 58 HB3 -0.21 -0.02 -0.05 -0.04 1.41 1.08 2glfB1 GLY 59 H -1.02 -0.05 0.09 -0.55 8.43 6.90 2glfB1 GLY 59 HA2 -0.21 -0.02 0.29 -0.51 4.01 3.56 2glfB1 GLY 59 HA3 -0.22 0.07 0.37 -0.51 4.01 3.73 2glfB1 ASP 60 H 0.07 0.09 0.14 -0.55 8.40 8.16 2glfB1 ASP 60 HA 0.07 0.09 0.56 -0.75 4.63 4.59 2glfB1 ASP 60 HB2 0.03 -0.09 0.11 -0.04 2.71 2.73 2glfB1 ASP 60 HB3 0.07 0.05 0.20 -0.04 2.70 2.98 2glfB1 PRO 61 HA 0.13 0.12 0.19 -0.51 4.44 4.36 2glfB1 PRO 61 HB2 0.04 0.07 0.13 -0.04 2.28 2.47 2glfB1 PRO 61 HB3 0.14 0.05 0.02 -0.04 2.02 2.19 2glfB1 PRO 61 HG2 0.04 -0.03 0.09 -0.04 2.03 2.09 2glfB1 PRO 61 HG3 0.05 0.01 0.07 -0.04 2.03 2.12 2glfB1 PRO 61 HD2 0.06 -0.03 0.22 -0.04 3.68 3.89 2glfB1 PRO 61 HD3 0.10 0.30 0.22 -0.04 3.65 4.22 2glfB1 ASN 63 HA -0.02 0.25 0.23 -0.75 4.76 4.47 2glfB1 ASN 63 HB2 0.01 -0.03 0.04 -0.04 2.88 2.85 2glfB1 ASN 63 HB3 0.03 -0.11 0.08 -0.04 2.79 2.75 2glfB1 ASN 63 HD21 0.02 -0.01 0.03 -0.04 7.03 7.03 2glfB1 ASN 63 HD22 0.03 -0.10 0.06 -0.04 7.74 7.69 2glfB1 THR 65 HA -0.14 0.02 0.45 -0.75 4.39 3.96 2glfB1 THR 65 HB -1.03 0.04 0.04 -0.04 4.32 3.32 2glfB1 THR 65 HG23 -0.20 -0.01 -0.09 -0.04 1.22 0.88 2glfB1 VAL 66 H 0.05 0.06 0.18 -0.55 8.24 7.99 2glfB1 VAL 66 HA 0.08 0.25 1.13 -0.75 4.13 4.84 2glfB1 VAL 66 HB -0.03 -0.18 0.17 -0.04 2.12 2.05 2glfB1 VAL 66 HG13 -0.27 0.04 -0.19 -0.04 0.97 0.51 2glfB1 VAL 66 HG23 0.06 -0.03 -0.11 -0.04 0.95 0.83 2glfB1 TYR 67 H -0.09 0.26 0.38 -0.55 8.29 8.29 2glfB1 TYR 67 HA 0.17 0.22 0.79 -0.75 4.56 4.98 2glfB1 TYR 67 HB2 0.04 -0.01 -0.01 -0.04 3.06 3.04 2glfB1 TYR 67 HB3 0.09 0.17 -0.16 -0.04 2.98 3.04 2glfB1 TYR 67 HD2 0.13 0.00 -0.49 -0.04 7.15 6.75 2glfB1 TYR 67 HE2 0.09 0.05 -0.27 -0.04 6.85 6.68 2glfB1 ALA 68 H 0.34 0.73 0.33 -0.55 8.40 9.26 2glfB1 ALA 68 HA 0.27 0.08 1.00 -0.75 4.34 4.94 2glfB1 ALA 68 HB3 0.32 0.01 0.04 -0.04 1.41 1.73 2glfB1 VAL 69 H 0.24 0.15 0.16 -0.55 8.24 8.24 2glfB1 VAL 69 HA 0.08 0.19 0.83 -0.75 4.13 4.48 2glfB1 VAL 69 HB 0.08 0.03 0.06 -0.04 2.12 2.24 2glfB1 VAL 69 HG13 -0.02 -0.06 -0.04 -0.04 0.97 0.80 2glfB1 VAL 69 HG23 0.10 0.03 -0.04 -0.04 0.95 1.00 2glfB1 ASN 70 H -0.19 0.67 0.31 -0.55 8.53 8.77 2glfB1 ASN 70 HA -0.42 0.21 0.65 -0.75 4.76 4.43 2glfB1 ASN 70 HB2 -1.34 0.06 0.01 -0.04 2.88 1.57 2glfB1 ASN 70 HB3 -0.37 -0.34 0.24 -0.04 2.79 2.28 2glfB1 ASN 70 HD21 -0.15 0.27 -0.05 -0.04 7.03 7.06 2glfB1 ASN 70 HD22 -0.46 -0.05 0.02 -0.04 7.74 7.21 2glfB1 ARG 71 H -0.14 -0.11 0.10 -0.55 8.46 7.75 2glfB1 ARG 71 HA -0.05 0.33 0.80 -0.75 4.34 4.67 2glfB1 ARG 71 HB2 -0.06 -0.11 0.07 -0.04 1.90 1.76 2glfB1 ARG 71 HB3 -0.04 0.08 0.17 -0.04 1.80 1.97 2glfB1 ARG 71 HG2 -0.05 0.16 -0.04 -0.04 1.67 1.70 2glfB1 ARG 71 HG3 -0.09 -0.06 -0.42 -0.04 1.67 1.06 2glfB1 ARG 71 HD2 -0.04 -0.12 -0.06 -0.04 3.22 2.96 2glfB1 ARG 71 HD3 -0.04 0.04 -0.01 -0.04 3.22 3.17 2glfB1 GLY 72 H -0.04 0.18 -0.18 -0.55 8.43 7.84 2glfB1 GLY 72 HA2 -0.03 0.08 0.27 -0.51 4.01 3.83 2glfB1 GLY 72 HA3 -0.01 0.16 0.45 -0.51 4.01 4.10 2glfB1 LYS 73 H -0.06 -0.34 -0.48 -0.55 8.42 6.99 2glfB1 LYS 73 HA -0.02 0.35 0.78 -0.75 4.32 4.67 2glfB1 LYS 73 HB2 -0.03 -0.11 -0.07 -0.04 1.87 1.62 2glfB1 LYS 73 HB3 -0.00 -0.08 0.01 -0.04 1.79 1.67 2glfB1 LYS 73 HG2 -0.02 0.05 -0.20 -0.04 1.46 1.24 2glfB1 LYS 73 HG3 -0.02 0.25 -0.32 -0.04 1.46 1.33 2glfB1 LYS 73 HD2 -0.02 -0.04 -0.04 -0.04 1.69 1.54 2glfB1 LYS 73 HD3 -0.02 -0.10 -0.04 -0.04 1.68 1.48 2glfB1 LYS 73 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.87 2glfB1 LYS 73 HE3 -0.01 0.10 -0.03 -0.04 2.99 3.01 2glfB1 ALA 74 H -0.09 -0.13 0.18 -0.55 8.40 7.81 2glfB1 ALA 74 HA 0.02 0.37 0.76 -0.75 4.34 4.73 2glfB1 ALA 74 HB3 -0.08 -0.00 0.07 -0.04 1.41 1.35 2glfB1 ILE 75 H 0.10 0.47 0.24 -0.55 8.25 8.51 2glfB1 ILE 75 HA 0.20 0.26 0.86 -0.75 4.18 4.74 2glfB1 ILE 75 HB -0.05 -0.03 -0.30 -0.04 1.89 1.47 2glfB1 ILE 75 HG12 0.01 0.06 -0.41 -0.04 1.49 1.11 2glfB1 ILE 75 HG13 0.09 -0.04 -0.34 -0.04 1.21 0.89 2glfB1 ILE 75 HG23 -0.16 0.01 -0.07 -0.04 0.93 0.67 2glfB1 ILE 75 HD13 -0.34 0.01 -0.20 -0.04 0.88 0.32 2glfB1 ALA 76 H 0.35 0.57 0.30 -0.55 8.40 9.08 2glfB1 ALA 76 HA -0.12 0.22 1.05 -0.75 4.34 4.74 2glfB1 ALA 76 HB3 -0.15 -0.01 0.03 -0.04 1.41 1.24 2glfB1 ALA 77 H -0.31 0.69 0.34 -0.55 8.40 8.58 2glfB1 ALA 77 HA 0.11 0.15 1.12 -0.75 4.34 4.98 2glfB1 ALA 77 HB3 -0.05 0.02 0.02 -0.04 1.41 1.35 2glfB1 PHE 78 H 0.35 0.37 0.18 -0.55 8.34 8.69 2glfB1 PHE 78 HA 0.10 0.26 1.16 -0.75 4.62 5.38 2glfB1 PHE 78 HB2 0.02 -0.04 -0.04 -0.04 3.15 3.04 2glfB1 PHE 78 HB3 0.02 0.03 0.02 -0.04 3.06 3.09 2glfB1 PHE 78 HD2 0.04 0.06 -0.22 -0.04 7.28 7.12 2glfB1 PHE 78 HE2 0.04 -0.02 -0.21 -0.04 7.38 7.14 2glfB1 PHE 78 HZ 0.01 -0.04 -0.16 -0.04 7.32 7.09 2glfB1 ARG 79 H 0.21 0.49 0.15 -0.55 8.46 8.75 2glfB1 ARG 79 HA 0.01 0.18 0.79 -0.75 4.34 4.57 2glfB1 ARG 79 HB2 0.09 -0.03 0.17 -0.04 1.90 2.09 2glfB1 ARG 79 HB3 0.02 0.04 0.10 -0.04 1.80 1.92 2glfB1 ARG 79 HG2 -0.08 0.05 0.01 -0.04 1.67 1.61 2glfB1 ARG 79 HG3 0.27 -0.07 -0.38 -0.04 1.67 1.45 2glfB1 ARG 79 HD2 0.22 0.02 -0.06 -0.04 3.22 3.36 2glfB1 ARG 79 HD3 0.13 0.02 -0.02 -0.04 3.22 3.31 2glfB1 VAL 80 H -0.02 0.17 0.01 -0.55 8.24 7.85 2glfB1 VAL 80 HA -0.01 -0.09 0.58 -0.75 4.13 3.85 2glfB1 VAL 80 HB -0.12 0.09 0.15 -0.04 2.12 2.21 2glfB1 VAL 80 HG13 -0.08 0.01 0.06 -0.04 0.97 0.92 2glfB1 VAL 80 HG23 -0.12 -0.02 0.00 -0.04 0.95 0.77 2glfB1 VAL 81 H -0.01 0.01 0.25 -0.55 8.24 7.94 2glfB1 VAL 81 HA -0.02 0.24 0.85 -0.75 4.13 4.45 2glfB1 VAL 81 HB -0.00 -0.08 -0.25 -0.04 2.12 1.74 2glfB1 VAL 81 HG13 -0.00 0.01 -0.04 -0.04 0.97 0.89 2glfB1 VAL 81 HG23 -0.00 0.08 -0.22 -0.04 0.95 0.77 2glfB1 ASP 82 H -0.02 0.20 0.06 -0.55 8.40 8.09 2glfB1 ASP 82 HA -0.01 0.13 0.48 -0.75 4.63 4.47 2glfB1 ASP 82 HB2 -0.01 0.08 -0.36 -0.04 2.71 2.38 2glfB1 ASP 82 HB3 -0.01 0.02 -0.06 -0.04 2.70 2.61 2glfB1 ASP 83 H -0.02 0.12 0.14 -0.55 8.40 8.09 2glfB1 ASP 83 HA -0.04 0.26 0.69 -0.75 4.63 4.79 2glfB1 ASP 83 HB2 -0.03 0.11 0.12 -0.04 2.71 2.87 2glfB1 ASP 83 HB3 -0.02 0.05 0.13 -0.04 2.70 2.82 2glfB1 LEU 84 H -0.06 0.28 0.14 -0.55 8.37 8.18 2glfB1 LEU 84 HA -0.05 0.14 0.20 -0.75 4.35 3.89 2glfB1 LEU 84 HB2 -0.08 -0.01 -0.02 -0.04 1.64 1.48 2glfB1 LEU 84 HB3 -0.09 -0.01 0.01 -0.04 1.64 1.51 2glfB1 LEU 84 HG -0.11 0.11 0.03 -0.04 1.64 1.63 2glfB1 LEU 84 HD13 -0.20 -0.01 -0.06 -0.04 0.93 0.63 2glfB1 LEU 84 HD23 -0.10 0.00 -0.09 -0.04 0.89 0.65 2glfB1 LYS 85 H -0.05 0.04 -0.67 -0.55 8.42 7.19 2glfB1 LYS 85 HA -0.07 0.04 0.32 -0.75 4.32 3.87 2glfB1 LYS 85 HB2 -0.04 0.01 -0.00 -0.04 1.87 1.80 2glfB1 LYS 85 HB3 -0.05 0.02 -0.03 -0.04 1.79 1.68 2glfB1 LYS 85 HG2 -0.08 -0.01 -0.01 -0.04 1.46 1.33 2glfB1 LYS 85 HG3 -0.05 -0.02 -0.05 -0.04 1.46 1.30 2glfB1 LYS 85 HD2 -0.03 0.03 -0.02 -0.04 1.69 1.63 2glfB1 LYS 85 HD3 -0.04 -0.01 -0.02 -0.04 1.68 1.57 2glfB1 LYS 85 HE2 -0.02 0.05 -0.06 -0.04 2.99 2.91 2glfB1 LYS 85 HE3 -0.01 0.00 -0.03 -0.04 2.99 2.91 2glfB1 ARG 86 H -0.03 0.49 -0.18 -0.55 8.46 8.19 2glfB1 ARG 86 HA -0.02 0.01 0.44 -0.75 4.34 4.01 2glfB1 ARG 86 HB2 -0.01 0.11 0.02 -0.04 1.90 1.98 2glfB1 ARG 86 HB3 -0.01 -0.03 0.15 -0.04 1.80 1.86 2glfB1 ARG 86 HG2 -0.02 -0.09 0.01 -0.04 1.67 1.53 2glfB1 ARG 86 HG3 -0.02 0.17 0.14 -0.04 1.67 1.92 2glfB1 ARG 86 HD2 -0.01 -0.10 0.07 -0.04 3.22 3.15 2glfB1 ARG 86 HD3 -0.01 0.06 0.06 -0.04 3.22 3.29 2glfB1 GLY 87 H -0.03 0.29 -0.89 -0.55 8.43 7.25 2glfB1 GLY 87 HA2 -0.02 0.16 0.28 -0.51 4.01 3.92 2glfB1 GLY 87 HA3 -0.01 -0.04 0.31 -0.51 4.01 3.77 2glfB1 LEU 88 H 0.03 0.22 0.14 -0.55 8.37 8.21 2glfB1 LEU 88 HA 0.02 0.31 0.72 -0.75 4.35 4.64 2glfB1 LEU 88 HB2 0.07 0.12 -0.42 -0.04 1.64 1.38 2glfB1 LEU 88 HB3 0.03 -0.06 -0.32 -0.04 1.64 1.25 2glfB1 LEU 88 HG 0.14 -0.01 -0.38 -0.04 1.64 1.34 2glfB1 LEU 88 HD13 0.15 -0.01 -0.32 -0.04 0.93 0.71 2glfB1 LEU 88 HD23 0.04 -0.01 -0.17 -0.04 0.89 0.70 2glfB1 ASN 89 H 0.03 0.62 0.33 -0.55 8.53 8.96 2glfB1 ASN 89 HA 0.03 0.16 1.11 -0.75 4.76 5.30 2glfB1 ASN 89 HB2 0.01 0.05 0.16 -0.04 2.88 3.06 2glfB1 ASN 89 HB3 0.00 0.03 0.04 -0.04 2.79 2.82 2glfB1 ASN 89 HD21 0.01 0.27 -0.04 -0.04 7.03 7.22 2glfB1 ASN 89 HD22 0.00 0.05 -0.01 -0.04 7.74 7.75 2glfB1 LEU 90 H -0.00 0.62 0.35 -0.55 8.37 8.80 2glfB1 LEU 90 HA -0.06 0.38 1.16 -0.75 4.35 5.08 2glfB1 LEU 90 HB2 -0.04 -0.07 -0.06 -0.04 1.64 1.43 2glfB1 LEU 90 HB3 -0.08 -0.05 -0.13 -0.04 1.64 1.35 2glfB1 LEU 90 HG 0.12 0.02 -0.44 -0.04 1.64 1.31 2glfB1 LEU 90 HD13 0.28 -0.02 -0.22 -0.04 0.93 0.93 2glfB1 LEU 90 HD23 0.18 -0.00 -0.32 -0.04 0.89 0.71 2glfB1 VAL 91 H -0.21 0.61 0.39 -0.55 8.24 8.48 2glfB1 VAL 91 HA -0.29 0.39 1.04 -0.75 4.13 4.51 2glfB1 VAL 91 HB -0.42 0.06 0.04 -0.04 2.12 1.75 2glfB1 VAL 91 HG13 -0.32 0.00 0.10 -0.04 0.97 0.72 2glfB1 VAL 91 HG23 -0.84 -0.02 -0.11 -0.04 0.95 -0.06 2glfB1 VAL 92 H -0.32 0.47 0.33 -0.55 8.24 8.16 2glfB1 VAL 92 HA -0.31 0.21 1.24 -0.75 4.13 4.51 2glfB1 VAL 92 HB 0.08 0.05 0.07 -0.04 2.12 2.28 2glfB1 VAL 92 HG13 -0.39 -0.01 -0.16 -0.04 0.97 0.37 2glfB1 VAL 92 HG23 -0.73 -0.02 -0.05 -0.04 0.95 0.12 2glfB1 ALA 93 H -0.18 0.63 0.41 -0.55 8.40 8.72 2glfB1 ALA 93 HA 0.04 0.01 0.90 -0.75 4.34 4.54 2glfB1 ALA 93 HB3 -0.05 0.04 -0.00 -0.04 1.41 1.35 2glfB1 HIS 94 H -0.01 0.17 0.27 -0.55 8.41 8.30 2glfB1 HIS 94 HA 0.24 0.16 1.12 -0.75 4.63 5.39 2glfB1 HIS 94 HB2 0.19 -0.07 0.08 -0.04 3.26 3.42 2glfB1 HIS 94 HB3 0.20 -0.06 -0.00 -0.04 3.20 3.29 2glfB1 HIS 94 HD2 0.12 -0.08 0.07 -0.04 6.97 7.03 2glfB1 HIS 94 HE1 0.15 0.14 0.04 -0.04 7.75 8.03 2glfB1 ILE 95 H 0.26 0.78 0.30 -0.55 8.25 9.05 2glfB1 ILE 95 HA 0.11 0.28 0.94 -0.75 4.18 4.75 2glfB1 ILE 95 HB 0.08 0.05 0.09 -0.04 1.89 2.07 2glfB1 ILE 95 HG12 0.19 -0.06 -0.17 -0.04 1.49 1.41 2glfB1 ILE 95 HG13 0.13 -0.07 -0.12 -0.04 1.21 1.10 2glfB1 ILE 95 HG23 0.19 -0.01 -0.18 -0.04 0.93 0.89 2glfB1 ILE 95 HD13 0.03 0.07 -0.15 -0.04 0.88 0.80 2glfB1 ASP 96 H 0.37 -0.01 -0.01 -0.55 8.40 8.19 2glfB1 ASP 96 HA 0.14 0.18 0.82 -0.75 4.63 5.03 2glfB1 ASP 96 HB2 0.23 0.10 0.05 -0.04 2.71 3.05 2glfB1 ASP 96 HB3 0.16 -0.06 0.10 -0.04 2.70 2.86 2glfB1 SER 97 H 0.20 0.23 0.13 -0.55 8.46 8.48 2glfB1 SER 97 HA 0.22 0.13 0.78 -0.75 4.49 4.87 2glfB1 SER 97 HB2 0.07 0.07 -0.02 -0.04 3.95 4.02 2glfB1 SER 97 HB3 0.02 0.04 0.10 -0.04 3.93 4.04 2glfB1 PRO 98 HA 0.19 0.14 0.47 -0.51 4.44 4.74 2glfB1 PRO 98 HB2 0.19 0.08 0.02 -0.04 2.28 2.53 2glfB1 PRO 98 HB3 -0.01 0.02 -0.10 -0.04 2.02 1.89 2glfB1 PRO 98 HG2 -1.28 0.12 0.06 -0.04 2.03 0.90 2glfB1 PRO 98 HG3 -0.44 -0.14 0.08 -0.04 2.03 1.48 2glfB1 PRO 98 HD2 0.03 0.12 0.22 -0.04 3.68 4.01 2glfB1 PRO 98 HD3 0.00 0.06 0.20 -0.04 3.65 3.87 2glfB1 ARG 99 H 0.22 0.43 0.43 -0.55 8.46 8.99 2glfB1 ARG 99 HA 0.11 0.17 0.65 -0.75 4.34 4.52 2glfB1 ARG 99 HB2 0.10 0.02 0.22 -0.04 1.90 2.20 2glfB1 ARG 99 HB3 0.30 0.16 -0.11 -0.04 1.80 2.11 2glfB1 ARG 99 HG2 0.24 -0.01 -0.01 -0.04 1.67 1.84 2glfB1 ARG 99 HG3 0.03 -0.07 -0.27 -0.04 1.67 1.32 2glfB1 ARG 99 HD2 -0.11 -0.00 -0.04 -0.04 3.22 3.02 2glfB1 ARG 99 HD3 0.03 0.08 0.01 -0.04 3.22 3.30 2glfB1 LEU 100 H -0.12 0.50 0.35 -0.55 8.37 8.56 2glfB1 LEU 100 HA -0.12 0.03 0.93 -0.75 4.35 4.44 2glfB1 LEU 100 HB2 -0.06 -0.01 0.13 -0.04 1.64 1.67 2glfB1 LEU 100 HB3 -0.08 0.04 -0.00 -0.04 1.64 1.55 2glfB1 LEU 100 HG -1.06 0.06 -0.08 -0.04 1.64 0.52 2glfB1 LEU 100 HD13 0.01 0.02 -0.09 -0.04 0.93 0.83 2glfB1 LEU 100 HD23 -0.74 0.01 -0.12 -0.04 0.89 -0.01 2glfB1 ASP 101 H 0.05 0.30 0.03 -0.55 8.40 8.22 2glfB1 ASP 101 HA 0.02 0.29 1.15 -0.75 4.63 5.34 2glfB1 ASP 101 HB2 0.04 0.17 0.13 -0.04 2.71 3.01 2glfB1 ASP 101 HB3 0.01 0.13 0.02 -0.04 2.70 2.82 2glfB1 PHE 102 H 0.15 0.42 0.30 -0.55 8.34 8.65 2glfB1 PHE 102 HA -0.12 0.21 0.61 -0.75 4.62 4.56 2glfB1 PHE 102 HB2 -0.14 -0.12 0.20 -0.04 3.15 3.05 2glfB1 PHE 102 HB3 -0.20 0.15 -0.01 -0.04 3.06 2.95 2glfB1 PHE 102 HD2 -0.37 -0.04 -0.16 -0.04 7.28 6.67 2glfB1 PHE 102 HE2 -0.84 -0.02 -0.16 -0.04 7.38 6.31 2glfB1 PHE 102 HZ -0.76 -0.01 -0.14 -0.04 7.32 6.36 2glfB1 LYS 103 H -0.07 0.43 0.13 -0.55 8.42 8.36 2glfB1 LYS 103 HA 0.03 0.08 0.39 -0.75 4.32 4.06 2glfB1 LYS 103 HB2 -0.05 0.03 -0.21 -0.04 1.87 1.60 2glfB1 LYS 103 HB3 0.01 -0.09 -0.02 -0.04 1.79 1.64 2glfB1 LYS 103 HG2 0.08 -0.03 -0.16 -0.04 1.46 1.31 2glfB1 LYS 103 HG3 0.00 0.10 -0.37 -0.04 1.46 1.15 2glfB1 LYS 103 HD2 -0.02 -0.00 -0.06 -0.04 1.69 1.57 2glfB1 LYS 103 HD3 0.02 -0.08 -0.03 -0.04 1.68 1.54 2glfB1 LYS 103 HE2 0.07 -0.07 -0.02 -0.04 2.99 2.93 2glfB1 LYS 103 HE3 -0.01 0.34 0.02 -0.04 2.99 3.30 2glfB1 PRO 104 HA 0.06 0.27 0.41 -0.51 4.44 4.66 2glfB1 PRO 104 HB2 0.02 -0.09 0.09 -0.04 2.28 2.25 2glfB1 PRO 104 HB3 0.03 0.02 0.12 -0.04 2.02 2.14 2glfB1 PRO 104 HG2 0.01 -0.03 0.09 -0.04 2.03 2.06 2glfB1 PRO 104 HG3 0.01 0.13 0.11 -0.04 2.03 2.24 2glfB1 PRO 104 HD2 0.01 0.03 0.16 -0.04 3.68 3.84 2glfB1 PRO 104 HD3 0.01 0.15 0.16 -0.04 3.65 3.93 2glfB1 ASN 105 H 0.00 0.13 -0.22 -0.55 8.53 7.89 2glfB1 ASN 105 HA 0.02 0.16 0.73 -0.75 4.76 4.92 2glfB1 ASN 105 HB2 -0.00 -0.03 0.15 -0.04 2.88 2.96 2glfB1 ASN 105 HB3 0.01 0.01 0.04 -0.04 2.79 2.80 2glfB1 ASN 105 HD21 0.02 -0.01 -0.03 -0.04 7.03 6.97 2glfB1 ASN 105 HD22 0.01 -0.01 0.01 -0.04 7.74 7.71 2glfB1 PRO 106 HA -0.17 0.09 0.67 -0.51 4.44 4.51 2glfB1 PRO 106 HB2 -0.77 -0.02 0.03 -0.04 2.28 1.48 2glfB1 PRO 106 HB3 -0.34 0.13 0.05 -0.04 2.02 1.82 2glfB1 PRO 106 HG2 -0.88 -0.07 0.04 -0.04 2.03 1.07 2glfB1 PRO 106 HG3 -0.84 0.08 -0.01 -0.04 2.03 1.23 2glfB1 PRO 106 HD2 -0.20 -0.02 0.18 -0.04 3.68 3.60 2glfB1 PRO 106 HD3 -0.08 0.56 -0.33 -0.04 3.65 3.76 2glfB1 LEU 107 H -0.18 0.10 0.01 -0.55 8.37 7.75 2glfB1 LEU 107 HA -0.01 0.41 0.86 -0.75 4.35 4.85 2glfB1 LEU 107 HB2 -0.05 -0.01 0.13 -0.04 1.64 1.67 2glfB1 LEU 107 HB3 0.03 -0.08 0.04 -0.04 1.64 1.58 2glfB1 LEU 107 HG 0.29 0.05 -0.05 -0.04 1.64 1.89 2glfB1 LEU 107 HD13 0.12 -0.04 -0.06 -0.04 0.93 0.91 2glfB1 LEU 107 HD23 -0.14 0.06 0.03 -0.04 0.89 0.80 2glfB1 ILE 108 H -0.08 0.61 0.46 -0.55 8.25 8.69 2glfB1 ILE 108 HA -0.03 0.09 0.75 -0.75 4.18 4.24 2glfB1 ILE 108 HB -0.03 -0.07 0.11 -0.04 1.89 1.86 2glfB1 ILE 108 HG12 -0.06 0.11 -0.08 -0.04 1.49 1.42 2glfB1 ILE 108 HG13 -0.05 -0.06 -0.53 -0.04 1.21 0.52 2glfB1 ILE 108 HG23 -0.04 0.06 -0.34 -0.04 0.93 0.57 2glfB1 ILE 108 HD13 -0.03 0.00 -0.12 -0.04 0.88 0.69 2glfB1 GLU 109 H -0.03 0.25 0.21 -0.55 8.60 8.49 2glfB1 GLU 109 HA -0.05 0.42 0.91 -0.75 4.29 4.81 2glfB1 GLU 109 HB2 -0.03 -0.02 -0.11 -0.04 2.09 1.88 2glfB1 GLU 109 HB3 -0.02 -0.01 0.05 -0.04 1.99 1.96 2glfB1 GLU 109 HG2 -0.02 -0.08 -0.23 -0.04 2.34 1.97 2glfB1 GLU 109 HG3 -0.03 0.10 -0.37 -0.04 2.34 2.00 2glfB1 ASP 110 H -0.03 0.54 0.16 -0.55 8.40 8.52 2glfB1 ASP 110 HA -0.02 0.03 0.68 -0.75 4.63 4.57 2glfB1 ASP 110 HB2 -0.02 0.07 -0.24 -0.04 2.71 2.48 2glfB1 ASP 110 HB3 -0.02 0.09 0.03 -0.04 2.70 2.75 2glfB1 GLU 111 H -0.01 0.15 0.14 -0.55 8.60 8.33 2glfB1 GLU 111 HA -0.01 0.02 0.34 -0.75 4.29 3.89 2glfB1 GLU 111 HB2 -0.01 0.26 -0.01 -0.04 2.09 2.29 2glfB1 GLU 111 HB3 -0.01 0.03 0.22 -0.04 1.99 2.19 2glfB1 GLU 111 HG2 -0.01 -0.05 -0.15 -0.04 2.34 2.09 2glfB1 GLU 111 HG3 -0.00 0.05 -0.02 -0.04 2.34 2.32 2glfB1 GLN 112 H -0.01 -0.04 -0.20 -0.55 8.47 7.67 2glfB1 GLN 112 HA -0.02 -0.15 0.20 -0.75 4.36 3.64 2glfB1 GLN 112 HB2 -0.01 0.32 -0.02 -0.04 2.15 2.40 2glfB1 GLN 112 HB3 -0.01 0.05 0.24 -0.04 2.02 2.26 2glfB1 GLN 112 HG2 -0.01 0.06 -0.02 -0.04 2.40 2.39 2glfB1 GLN 112 HG3 -0.01 -0.10 0.01 -0.04 2.39 2.24 2glfB1 GLN 112 HE21 -0.01 0.02 -0.01 -0.04 6.97 6.93 2glfB1 GLN 112 HE22 -0.01 -0.06 -0.00 -0.04 7.69 7.58 2glfB1 ILE 113 H -0.03 0.01 -0.36 -0.55 8.25 7.32 2glfB1 ILE 113 HA -0.03 0.25 1.03 -0.75 4.18 4.67 2glfB1 ILE 113 HB -0.03 0.13 0.08 -0.04 1.89 2.03 2glfB1 ILE 113 HG12 -0.02 0.05 0.04 -0.04 1.49 1.52 2glfB1 ILE 113 HG13 -0.02 0.09 -0.36 -0.04 1.21 0.88 2glfB1 ILE 113 HG23 -0.04 0.01 -0.15 -0.04 0.93 0.71 2glfB1 ILE 113 HD13 -0.01 -0.02 -0.01 -0.04 0.88 0.80 2glfB1 ALA 114 H -0.06 0.48 0.18 -0.55 8.40 8.45 2glfB1 ALA 114 HA -0.10 0.11 0.66 -0.75 4.34 4.25 2glfB1 ALA 114 HB3 -0.14 -0.05 -0.03 -0.04 1.41 1.16 2glfB1 LEU 115 H -0.15 0.69 0.50 -0.55 8.37 8.86 2glfB1 LEU 115 HA -0.20 0.22 1.10 -0.75 4.35 4.72 2glfB1 LEU 115 HB2 -0.08 -0.12 -0.02 -0.04 1.64 1.38 2glfB1 LEU 115 HB3 -0.07 0.14 -0.06 -0.04 1.64 1.60 2glfB1 LEU 115 HG -0.07 0.03 -0.50 -0.04 1.64 1.06 2glfB1 LEU 115 HD13 -0.03 -0.03 -0.11 -0.04 0.93 0.71 2glfB1 LEU 115 HD23 -0.04 0.02 -0.07 -0.04 0.89 0.76 2glfB1 PHE 116 H -0.10 0.84 0.23 -0.55 8.34 8.76 2glfB1 PHE 116 HA -0.43 0.15 0.83 -0.75 4.62 4.43 2glfB1 PHE 116 HB2 -0.36 0.10 0.10 -0.04 3.15 2.95 2glfB1 PHE 116 HB3 -1.14 0.01 -0.07 -0.04 3.06 1.83 2glfB1 PHE 116 HD2 -0.35 0.06 -0.19 -0.04 7.28 6.76 2glfB1 PHE 116 HE2 -0.14 -0.03 -0.11 -0.04 7.38 7.06 2glfB1 PHE 116 HZ 0.12 -0.02 -0.12 -0.04 7.32 7.26 2glfB1 LYS 117 H -0.15 0.65 0.25 -0.55 8.42 8.61 2glfB1 LYS 117 HA -0.09 0.10 0.50 -0.75 4.32 4.08 2glfB1 LYS 117 HB2 -0.10 0.02 0.21 -0.04 1.87 1.96 2glfB1 LYS 117 HB3 -0.06 0.03 0.03 -0.04 1.79 1.74 2glfB1 LYS 117 HG2 -0.05 0.06 0.01 -0.04 1.46 1.45 2glfB1 LYS 117 HG3 -0.06 -0.03 -0.06 -0.04 1.46 1.27 2glfB1 LYS 117 HD2 -0.04 0.01 -0.02 -0.04 1.69 1.59 2glfB1 LYS 117 HD3 -0.03 -0.00 0.01 -0.04 1.68 1.62 2glfB1 LYS 117 HE2 -0.03 -0.05 -0.06 -0.04 2.99 2.81 2glfB1 LYS 117 HE3 -0.02 -0.07 -0.02 -0.04 2.99 2.83 2glfB1 THR 118 H -0.05 0.21 0.23 -0.55 8.28 8.12 2glfB1 THR 118 HA -0.02 0.26 1.16 -0.75 4.39 5.03 2glfB1 THR 118 HB 0.04 -0.16 0.01 -0.04 4.32 4.17 2glfB1 THR 118 HG23 -0.04 0.03 -0.10 -0.04 1.22 1.07 2glfB1 HIS 119 H 0.09 0.37 0.17 -0.55 8.41 8.49 2glfB1 HIS 119 HA -0.02 0.03 0.65 -0.75 4.63 4.53 2glfB1 HIS 119 HB2 -0.03 0.03 -0.20 -0.04 3.26 3.01 2glfB1 HIS 119 HB3 -0.04 -0.01 0.10 -0.04 3.20 3.21 2glfB1 HIS 119 HD2 -0.04 -0.02 0.00 -0.04 6.97 6.86 2glfB1 HIS 119 HE1 -0.26 -0.03 0.01 -0.04 7.75 7.42 2glfB1 TYR 120 H 0.15 0.10 0.12 -0.55 8.29 8.11 2glfB1 TYR 120 HA -0.12 0.05 0.64 -0.75 4.56 4.37 2glfB1 TYR 120 HB2 -0.24 0.10 0.13 -0.04 3.06 3.01 2glfB1 TYR 120 HB3 -0.20 -0.01 0.16 -0.04 2.98 2.89 2glfB1 TYR 120 HD2 -0.11 0.08 -0.06 -0.04 7.15 7.02 2glfB1 TYR 120 HE2 -0.05 -0.02 0.03 -0.04 6.85 6.77 2glfB1 TYR 121 H 0.13 0.92 0.49 -0.55 8.29 9.28 2glfB1 TYR 121 HA -0.05 0.10 0.95 -0.75 4.56 4.81 2glfB1 TYR 121 HB2 -0.03 0.07 -0.04 -0.04 3.06 3.02 2glfB1 TYR 121 HB3 -0.01 -0.02 0.10 -0.04 2.98 3.01 2glfB1 TYR 121 HD2 -0.00 0.09 -0.08 -0.04 7.15 7.12 2glfB1 TYR 121 HE2 0.02 -0.03 -0.17 -0.04 6.85 6.62 2glfB1 GLY 122 H -0.40 0.11 0.09 -0.55 8.43 7.69 2glfB1 GLY 122 HA2 -0.29 0.23 0.36 -0.51 4.01 3.80 2glfB1 GLY 122 HA3 -0.27 0.05 0.52 -0.51 4.01 3.80 2glfB1 GLY 123 H -0.03 0.14 0.15 -0.55 8.43 8.15 2glfB1 GLY 123 HA2 0.12 0.11 0.56 -0.51 4.01 4.29 2glfB1 GLY 123 HA3 0.20 -0.01 0.41 -0.51 4.01 4.09 2glfB1 ILE 124 H 0.04 0.33 0.05 -0.55 8.25 8.12 2glfB1 ILE 124 HA 0.19 0.28 0.68 -0.75 4.18 4.57 2glfB1 ILE 124 HB 0.28 0.02 -0.06 -0.04 1.89 2.09 2glfB1 ILE 124 HG12 -0.29 0.06 -0.04 -0.04 1.49 1.18 2glfB1 ILE 124 HG13 -0.29 -0.14 -0.51 -0.04 1.21 0.23 2glfB1 ILE 124 HG23 -0.01 0.05 -0.15 -0.04 0.93 0.78 2glfB1 ILE 124 HD13 -0.62 0.01 -0.14 -0.04 0.88 0.08 2glfB1 LYS 125 H 0.13 0.31 0.04 -0.55 8.42 8.34 2glfB1 LYS 125 HA -0.20 0.16 0.75 -0.75 4.32 4.27 2glfB1 LYS 125 HB2 -0.95 0.04 0.16 -0.04 1.87 1.08 2glfB1 LYS 125 HB3 -1.43 -0.08 0.04 -0.04 1.79 0.29 2glfB1 LYS 125 HG2 -0.14 0.03 -0.02 -0.04 1.46 1.29 2glfB1 LYS 125 HG3 -0.07 0.07 -0.11 -0.04 1.46 1.31 2glfB1 LYS 125 HD2 -0.21 0.01 -0.03 -0.04 1.69 1.41 2glfB1 LYS 125 HD3 -0.30 -0.03 -0.02 -0.04 1.68 1.29 2glfB1 LYS 125 HE2 0.04 0.01 -0.03 -0.04 2.99 2.96 2glfB1 LYS 125 HE3 0.05 0.02 -0.06 -0.04 2.99 2.96 2glfB1 LYS 126 H -0.20 0.28 -0.03 -0.55 8.42 7.92 2glfB1 LYS 126 HA -0.13 0.05 0.22 -0.75 4.32 3.70 2glfB1 LYS 126 HB2 -0.05 0.09 0.09 -0.04 1.87 1.97 2glfB1 LYS 126 HB3 -0.05 -0.01 -0.12 -0.04 1.79 1.56 2glfB1 LYS 126 HG2 -0.31 -0.01 -0.05 -0.04 1.46 1.05 2glfB1 LYS 126 HG3 -0.46 0.02 -0.01 -0.04 1.46 0.96 2glfB1 LYS 126 HD2 -0.02 0.08 -0.39 -0.04 1.69 1.31 2glfB1 LYS 126 HD3 -0.22 -0.14 -0.09 -0.04 1.68 1.19 2glfB1 LYS 126 HE2 -0.06 0.12 0.07 -0.04 2.99 3.08 2glfB1 LYS 126 HE3 -0.04 -0.08 0.08 -0.04 2.99 2.91 2glfB1 TYR 127 H -0.35 0.10 -0.30 -0.55 8.29 7.19 2glfB1 TYR 127 HA -0.71 0.06 0.31 -0.75 4.56 3.47 2glfB1 TYR 127 HB2 -0.56 0.02 0.08 -0.04 3.06 2.56 2glfB1 TYR 127 HB3 -1.86 0.01 0.04 -0.04 2.98 1.13 2glfB1 TYR 127 HD2 -0.08 0.04 -0.12 -0.04 7.15 6.94 2glfB1 TYR 127 HE2 0.02 0.00 -0.04 -0.04 6.85 6.79 2glfB1 HIS 128 H -0.32 0.63 -0.33 -0.55 8.41 7.84 2glfB1 HIS 128 HA -0.10 0.05 0.44 -0.75 4.63 4.27 2glfB1 HIS 128 HB2 -0.01 0.11 0.12 -0.04 3.26 3.45 2glfB1 HIS 128 HB3 -0.31 -0.01 0.04 -0.04 3.20 2.88 2glfB1 HIS 128 HD2 0.01 0.09 0.05 -0.04 6.97 7.07 2glfB1 HIS 128 HE1 0.04 -0.03 -0.02 -0.04 7.75 7.69 2glfB1 TRP 129 H 0.45 0.32 -0.17 -0.55 7.97 8.02 2glfB1 TRP 129 HA 0.02 0.16 0.51 -0.75 4.62 4.55 2glfB1 TRP 129 HB2 -0.02 0.05 -0.00 -0.04 3.23 3.21 2glfB1 TRP 129 HB3 0.00 -0.02 0.05 -0.04 3.23 3.22 2glfB1 TRP 129 HD1 -0.05 0.06 -0.06 -0.04 7.22 7.13 2glfB1 TRP 129 HE1 0.07 -0.03 -0.10 -0.04 10.20 10.10 2glfB1 TRP 129 HE3 -0.02 -0.02 -0.13 -0.04 7.59 7.39 2glfB1 TRP 129 HZ2 0.16 0.08 -0.20 -0.04 7.44 7.44 2glfB1 TRP 129 HZ3 -0.10 0.12 -0.11 -0.04 7.13 7.00 2glfB1 TRP 129 HH2 -0.04 0.13 0.12 -0.04 7.19 7.36 2glfB1 LEU 130 H 0.10 0.24 -0.42 -0.55 8.37 7.73 2glfB1 LEU 130 HA 0.11 0.23 0.77 -0.75 4.35 4.71 2glfB1 LEU 130 HB2 0.06 0.06 0.08 -0.04 1.64 1.81 2glfB1 LEU 130 HB3 0.10 -0.08 0.03 -0.04 1.64 1.65 2glfB1 LEU 130 HG 0.03 0.04 -0.09 -0.04 1.64 1.59 2glfB1 LEU 130 HD13 0.11 -0.05 -0.02 -0.04 0.93 0.92 2glfB1 LEU 130 HD23 0.11 0.01 -0.13 -0.04 0.89 0.84 2glfB1 SER 131 H 0.07 0.35 0.09 -0.55 8.46 8.42 2glfB1 SER 131 HA 0.05 -0.07 0.27 -0.75 4.49 3.98 2glfB1 SER 131 HB2 0.06 0.24 -0.08 -0.04 3.95 4.13 2glfB1 SER 131 HB3 0.04 -0.01 0.19 -0.04 3.93 4.11 2glfB1 ILE 132 H 0.03 0.21 -0.06 -0.55 8.25 7.88 2glfB1 ILE 132 HA 0.00 0.14 0.69 -0.75 4.18 4.26 2glfB1 ILE 132 HB -0.07 -0.01 0.07 -0.04 1.89 1.84 2glfB1 ILE 132 HG12 -0.04 -0.00 -0.29 -0.04 1.49 1.11 2glfB1 ILE 132 HG13 -0.14 -0.03 -0.38 -0.04 1.21 0.62 2glfB1 ILE 132 HG23 0.02 0.05 -0.27 -0.04 0.93 0.69 2glfB1 ILE 132 HD13 -0.37 0.03 -0.06 -0.04 0.88 0.44 2glfB1 PRO 133 HA -0.05 0.22 0.72 -0.51 4.44 4.83 2glfB1 PRO 133 HB2 -0.11 0.07 0.05 -0.04 2.28 2.25 2glfB1 PRO 133 HB3 -0.06 0.00 0.10 -0.04 2.02 2.03 2glfB1 PRO 133 HG2 -0.27 -0.07 0.18 -0.04 2.03 1.84 2glfB1 PRO 133 HG3 -0.04 0.05 0.08 -0.04 2.03 2.08 2glfB1 PRO 133 HD2 -0.02 0.11 0.24 -0.04 3.68 3.96 2glfB1 PRO 133 HD3 -0.02 0.11 0.10 -0.04 3.65 3.79 2glfB1 LEU 134 H 0.02 0.69 0.44 -0.55 8.37 8.97 2glfB1 LEU 134 HA -0.10 0.13 1.01 -0.75 4.35 4.63 2glfB1 LEU 134 HB2 0.16 -0.05 -0.15 -0.04 1.64 1.56 2glfB1 LEU 134 HB3 0.14 0.03 -0.10 -0.04 1.64 1.66 2glfB1 LEU 134 HG 0.24 -0.01 -0.26 -0.04 1.64 1.57 2glfB1 LEU 134 HD13 -0.08 0.03 -0.38 -0.04 0.93 0.47 2glfB1 LEU 134 HD23 0.20 -0.01 -0.16 -0.04 0.89 0.88 2glfB1 GLU 135 H 0.03 0.87 0.34 -0.55 8.60 9.29 2glfB1 GLU 135 HA 0.21 0.14 0.94 -0.75 4.29 4.82 2glfB1 GLU 135 HB2 -0.03 -0.03 -0.04 -0.04 2.09 1.95 2glfB1 GLU 135 HB3 0.03 0.03 -0.20 -0.04 1.99 1.81 2glfB1 GLU 135 HG2 0.05 0.14 -0.23 -0.04 2.34 2.25 2glfB1 GLU 135 HG3 0.14 -0.07 -0.31 -0.04 2.34 2.07 2glfB1 ILE 136 H -0.03 0.47 0.31 -0.55 8.25 8.44 2glfB1 ILE 136 HA -0.16 0.40 1.31 -0.75 4.18 4.98 2glfB1 ILE 136 HB -0.49 -0.02 -0.08 -0.04 1.89 1.26 2glfB1 ILE 136 HG12 -0.10 0.09 0.15 -0.04 1.49 1.59 2glfB1 ILE 136 HG13 -0.21 -0.13 -0.01 -0.04 1.21 0.83 2glfB1 ILE 136 HG23 -0.26 -0.01 -0.21 -0.04 0.93 0.41 2glfB1 ILE 136 HD13 -0.39 -0.00 -0.10 -0.04 0.88 0.35 2glfB1 HIS 137 H -0.12 0.66 0.37 -0.55 8.41 8.78 2glfB1 HIS 137 HA -0.11 0.38 1.01 -0.75 4.63 5.16 2glfB1 HIS 137 HB2 -0.00 -0.03 0.07 -0.04 3.26 3.26 2glfB1 HIS 137 HB3 0.09 -0.02 0.06 -0.04 3.20 3.29 2glfB1 HIS 137 HD2 0.02 0.05 -0.28 -0.04 6.97 6.72 2glfB1 HIS 137 HE1 0.04 -0.04 -0.07 -0.04 7.75 7.63 2glfB1 GLY 138 H -0.27 0.60 0.44 -0.55 8.43 8.65 2glfB1 GLY 138 HA2 -0.10 -0.01 0.54 -0.51 4.01 3.93 2glfB1 GLY 138 HA3 -0.20 0.17 0.80 -0.51 4.01 4.26 2glfB1 VAL 139 H -0.17 0.49 0.36 -0.55 8.24 8.37 2glfB1 VAL 139 HA -0.31 0.29 1.05 -0.75 4.13 4.41 2glfB1 VAL 139 HB -0.42 0.04 0.06 -0.04 2.12 1.76 2glfB1 VAL 139 HG13 -0.11 -0.01 -0.18 -0.04 0.97 0.62 2glfB1 VAL 139 HG23 -0.04 -0.00 -0.01 -0.04 0.95 0.86 2glfB1 LEU 140 H -0.42 0.74 0.43 -0.55 8.37 8.56 2glfB1 LEU 140 HA -0.16 0.21 1.01 -0.75 4.35 4.66 2glfB1 LEU 140 HB2 -0.32 -0.05 -0.02 -0.04 1.64 1.21 2glfB1 LEU 140 HB3 -0.26 0.10 -0.05 -0.04 1.64 1.39 2glfB1 LEU 140 HG -0.32 -0.07 -0.34 -0.04 1.64 0.87 2glfB1 LEU 140 HD13 -0.55 -0.02 -0.21 -0.04 0.93 0.11 2glfB1 LEU 140 HD23 -0.15 0.02 -0.14 -0.04 0.89 0.58 2glfB1 PHE 141 H 0.08 0.54 0.27 -0.55 8.34 8.67 2glfB1 PHE 141 HA -0.06 0.34 1.16 -0.75 4.62 5.31 2glfB1 PHE 141 HB2 -0.05 0.02 0.18 -0.04 3.15 3.26 2glfB1 PHE 141 HB3 -0.04 -0.01 -0.01 -0.04 3.06 2.96 2glfB1 PHE 141 HD2 -0.04 0.27 -0.12 -0.04 7.28 7.35 2glfB1 PHE 141 HE2 -0.04 -0.03 -0.09 -0.04 7.38 7.19 2glfB1 PHE 141 HZ -0.04 -0.03 -0.07 -0.04 7.32 7.14 2glfB1 LYS 142 H 0.04 0.49 0.18 -0.55 8.42 8.56 2glfB1 LYS 142 HA -0.01 0.07 0.53 -0.75 4.32 4.16 2glfB1 LYS 142 HB2 0.02 -0.18 0.11 -0.04 1.87 1.78 2glfB1 LYS 142 HB3 0.01 -0.08 0.18 -0.04 1.79 1.86 2glfB1 LYS 142 HG2 -0.03 0.05 -0.00 -0.04 1.46 1.44 2glfB1 LYS 142 HG3 -0.03 0.11 -0.01 -0.04 1.46 1.49 2glfB1 LYS 142 HD2 0.00 -0.13 0.02 -0.04 1.69 1.54 2glfB1 LYS 142 HD3 -0.00 0.00 0.06 -0.04 1.68 1.70 2glfB1 LYS 142 HE2 -0.01 -0.03 -0.07 -0.04 2.99 2.85 2glfB1 LYS 142 HE3 0.00 -0.06 0.00 -0.04 2.99 2.90 2glfB1 ASN 143 H 0.01 0.14 0.17 -0.55 8.53 8.30 2glfB1 ASN 143 HA 0.02 0.18 0.39 -0.75 4.76 4.59 2glfB1 ASN 143 HB2 0.01 -0.02 0.12 -0.04 2.88 2.96 2glfB1 ASN 143 HB3 0.01 -0.01 0.06 -0.04 2.79 2.81 2glfB1 ASN 143 HD21 0.00 -0.00 -0.00 -0.04 7.03 6.99 2glfB1 ASN 143 HD22 0.01 -0.01 -0.07 -0.04 7.74 7.62 2glfB1 ASP 144 H 0.02 -0.01 -0.37 -0.55 8.40 7.49 2glfB1 ASP 144 HA 0.01 0.20 0.66 -0.75 4.63 4.75 2glfB1 ASP 144 HB2 0.01 0.05 0.12 -0.04 2.71 2.85 2glfB1 ASP 144 HB3 0.01 -0.01 0.04 -0.04 2.70 2.70 2glfB1 GLY 145 H 0.05 0.44 -0.39 -0.55 8.43 7.99 2glfB1 GLY 145 HA2 0.06 0.07 0.24 -0.51 4.01 3.87 2glfB1 GLY 145 HA3 0.04 0.18 0.77 -0.51 4.01 4.50 2glfB1 THR 146 H 0.05 -0.06 -0.24 -0.55 8.28 7.48 2glfB1 THR 146 HA 0.05 0.06 0.37 -0.75 4.39 4.12 2glfB1 THR 146 HB 0.01 -0.12 0.07 -0.04 4.32 4.24 2glfB1 THR 146 HG23 -0.01 0.05 -0.12 -0.04 1.22 1.10 2glfB1 GLU 147 H 0.01 0.11 0.23 -0.55 8.60 8.41 2glfB1 GLU 147 HA -0.46 0.25 0.95 -0.75 4.29 4.27 2glfB1 GLU 147 HB2 0.09 0.04 0.10 -0.04 2.09 2.27 2glfB1 GLU 147 HB3 -0.05 -0.05 0.18 -0.04 1.99 2.03 2glfB1 GLU 147 HG2 -0.31 0.00 -0.28 -0.04 2.34 1.72 2glfB1 GLU 147 HG3 -0.77 0.03 -0.02 -0.04 2.34 1.54 2glfB1 ILE 148 H -0.43 0.89 0.42 -0.55 8.25 8.59 2glfB1 ILE 148 HA -0.11 0.14 0.97 -0.75 4.18 4.42 2glfB1 ILE 148 HB -0.24 0.00 0.07 -0.04 1.89 1.69 2glfB1 ILE 148 HG12 -0.04 0.08 -0.09 -0.04 1.49 1.40 2glfB1 ILE 148 HG13 0.00 0.04 0.00 -0.04 1.21 1.21 2glfB1 ILE 148 HG23 -0.25 -0.01 -0.23 -0.04 0.93 0.39 2glfB1 ILE 148 HD13 -0.07 0.00 -0.55 -0.04 0.88 0.22 2glfB1 GLU 149 H -0.10 0.16 0.18 -0.55 8.60 8.30 2glfB1 GLU 149 HA -0.26 0.22 1.01 -0.75 4.29 4.50 2glfB1 GLU 149 HB2 -0.03 -0.03 0.16 -0.04 2.09 2.15 2glfB1 GLU 149 HB3 -0.10 0.03 -0.02 -0.04 1.99 1.86 2glfB1 GLU 149 HG2 -0.07 0.09 0.08 -0.04 2.34 2.40 2glfB1 GLU 149 HG3 -0.09 -0.06 -0.06 -0.04 2.34 2.08 2glfB1 ILE 150 H -0.47 0.66 0.30 -0.55 8.25 8.19 2glfB1 ILE 150 HA -0.29 0.18 0.96 -0.75 4.18 4.27 2glfB1 ILE 150 HB -0.38 -0.08 -0.06 -0.04 1.89 1.33 2glfB1 ILE 150 HG12 -0.51 -0.01 -0.19 -0.04 1.49 0.74 2glfB1 ILE 150 HG13 -0.74 0.12 -0.33 -0.04 1.21 0.23 2glfB1 ILE 150 HG23 -0.26 0.01 -0.24 -0.04 0.93 0.41 2glfB1 ILE 150 HD13 -0.40 -0.00 -0.33 -0.04 0.88 0.10 2glfB1 HIS 151 H -0.03 0.23 -0.01 -0.55 8.41 8.06 2glfB1 HIS 151 HA -0.15 0.28 0.83 -0.75 4.63 4.84 2glfB1 HIS 151 HB2 0.07 -0.02 0.16 -0.04 3.26 3.42 2glfB1 HIS 151 HB3 0.16 0.01 0.09 -0.04 3.20 3.42 2glfB1 HIS 151 HD2 0.03 -0.00 -0.14 -0.04 6.97 6.81 2glfB1 HIS 151 HE1 0.01 -0.06 0.05 -0.04 7.75 7.70 2glfB1 ILE 152 H -0.15 0.61 0.21 -0.55 8.25 8.36 2glfB1 ILE 152 HA 0.08 0.14 1.12 -0.75 4.18 4.77 2glfB1 ILE 152 HB 0.27 -0.04 0.20 -0.04 1.89 2.27 2glfB1 ILE 152 HG12 0.18 0.08 -0.09 -0.04 1.49 1.62 2glfB1 ILE 152 HG13 0.06 -0.18 -0.27 -0.04 1.21 0.78 2glfB1 ILE 152 HG23 0.21 0.06 -0.00 -0.04 0.93 1.16 2glfB1 ILE 152 HD13 0.22 0.01 -0.05 -0.04 0.88 1.02 2glfB1 GLY 153 H 0.04 0.07 0.18 -0.55 8.43 8.18 2glfB1 GLY 153 HA2 -0.00 0.18 0.25 -0.51 4.01 3.93 2glfB1 GLY 153 HA3 0.04 0.17 1.02 -0.51 4.01 4.73 2glfB1 ASP 154 H 0.05 0.05 -0.13 -0.55 8.40 7.82 2glfB1 ASP 154 HA 0.07 0.24 0.49 -0.75 4.63 4.68 2glfB1 ASP 154 HB2 0.09 0.10 0.08 -0.04 2.71 2.94 2glfB1 ASP 154 HB3 0.31 0.02 -0.03 -0.04 2.70 2.96 2glfB1 LYS 155 H 0.03 -0.06 -0.25 -0.55 8.42 7.60 2glfB1 LYS 155 HA 0.01 0.31 0.89 -0.75 4.32 4.78 2glfB1 LYS 155 HB2 0.02 -0.12 -0.04 -0.04 1.87 1.69 2glfB1 LYS 155 HB3 0.01 0.08 -0.03 -0.04 1.79 1.81 2glfB1 LYS 155 HG2 0.02 0.13 -0.14 -0.04 1.46 1.43 2glfB1 LYS 155 HG3 0.04 -0.13 -0.29 -0.04 1.46 1.04 2glfB1 LYS 155 HD2 0.02 0.00 -0.05 -0.04 1.69 1.62 2glfB1 LYS 155 HD3 0.03 0.03 -0.04 -0.04 1.68 1.65 2glfB1 LYS 155 HE2 0.04 -0.08 -0.02 -0.04 2.99 2.88 2glfB1 LYS 155 HE3 0.04 -0.00 -0.01 -0.04 2.99 2.98 2glfB1 PRO 156 HA -0.01 0.13 0.62 -0.51 4.44 4.68 2glfB1 PRO 156 HB2 -0.00 -0.01 0.09 -0.04 2.28 2.32 2glfB1 PRO 156 HB3 -0.00 0.06 0.08 -0.04 2.02 2.12 2glfB1 PRO 156 HG2 -0.00 -0.00 0.22 -0.04 2.03 2.21 2glfB1 PRO 156 HG3 -0.00 0.04 0.11 -0.04 2.03 2.14 2glfB1 PRO 156 HD2 0.00 0.08 0.21 -0.04 3.68 3.93 2glfB1 PRO 156 HD3 0.00 0.23 0.13 -0.04 3.65 3.97 2glfB1 GLU 157 H -0.01 0.44 0.21 -0.55 8.60 8.68 2glfB1 GLU 157 HA -0.01 -0.02 0.32 -0.75 4.29 3.82 2glfB1 GLU 157 HB2 -0.00 -0.07 0.07 -0.04 2.09 2.05 2glfB1 GLU 157 HB3 -0.00 0.30 0.42 -0.04 1.99 2.67 2glfB1 GLU 157 HG2 0.01 -0.21 -0.65 -0.04 2.34 1.44 2glfB1 GLU 157 HG3 0.01 -0.01 -0.31 -0.04 2.34 1.98 2glfB1 ASP 158 H -0.00 0.34 -0.00 -0.55 8.40 8.19 2glfB1 ASP 158 HA -0.00 0.11 0.62 -0.75 4.63 4.60 2glfB1 ASP 158 HB2 0.01 0.41 0.24 -0.04 2.71 3.33 2glfB1 ASP 158 HB3 0.01 0.15 0.14 -0.04 2.70 2.95 2glfB1 PRO 159 HA -0.12 0.07 0.67 -0.51 4.44 4.56 2glfB1 PRO 159 HB2 -0.26 0.11 0.09 -0.04 2.28 2.18 2glfB1 PRO 159 HB3 -0.11 -0.02 0.10 -0.04 2.02 1.95 2glfB1 PRO 159 HG2 -0.25 0.05 -0.02 -0.04 2.03 1.78 2glfB1 PRO 159 HG3 -0.07 0.01 0.07 -0.04 2.03 2.00 2glfB1 PRO 159 HD2 -0.00 0.02 0.27 -0.04 3.68 3.93 2glfB1 PRO 159 HD3 -0.03 0.18 0.22 -0.04 3.65 3.98 2glfB1 VAL 160 H -0.20 0.08 0.21 -0.55 8.24 7.78 2glfB1 VAL 160 HA -0.16 0.24 0.98 -0.75 4.13 4.43 2glfB1 VAL 160 HB -0.05 0.15 0.24 -0.04 2.12 2.42 2glfB1 VAL 160 HG13 -0.05 0.01 -0.07 -0.04 0.97 0.81 2glfB1 VAL 160 HG23 -0.08 -0.04 -0.05 -0.04 0.95 0.75 2glfB1 PHE 161 H 0.16 0.75 0.35 -0.55 8.34 9.05 2glfB1 PHE 161 HA 0.03 0.22 1.00 -0.75 4.62 5.11 2glfB1 PHE 161 HB2 0.09 -0.02 -0.08 -0.04 3.15 3.09 2glfB1 PHE 161 HB3 0.10 -0.04 0.09 -0.04 3.06 3.17 2glfB1 PHE 161 HD2 0.08 0.14 -0.05 -0.04 7.28 7.41 2glfB1 PHE 161 HE2 0.11 0.04 -0.03 -0.04 7.38 7.46 2glfB1 PHE 161 HZ 0.15 -0.04 -0.07 -0.04 7.32 7.31 2glfB1 THR 162 H 0.21 0.25 0.28 -0.55 8.28 8.47 2glfB1 THR 162 HA 0.10 0.25 0.66 -0.75 4.39 4.65 2glfB1 THR 162 HB 0.03 0.09 -0.34 -0.04 4.32 4.05 2glfB1 THR 162 HG23 0.04 -0.01 -0.13 -0.04 1.22 1.08 2glfB1 ILE 163 H 0.09 0.20 0.09 -0.55 8.25 8.08 2glfB1 ILE 163 HA 0.07 0.19 0.85 -0.75 4.18 4.54 2glfB1 ILE 163 HB 0.12 0.08 0.25 -0.04 1.89 2.30 2glfB1 ILE 163 HG12 0.10 0.16 -0.18 -0.04 1.49 1.53 2glfB1 ILE 163 HG13 0.14 -0.09 -0.26 -0.04 1.21 0.96 2glfB1 ILE 163 HG23 0.08 -0.01 0.03 -0.04 0.93 0.99 2glfB1 ILE 163 HD13 0.14 -0.01 -0.13 -0.04 0.88 0.83 2glfB1 PRO 164 HA 0.06 -0.10 0.53 -0.51 4.44 4.41 2glfB1 PRO 164 HB2 0.04 0.11 0.01 -0.04 2.28 2.39 2glfB1 PRO 164 HB3 0.03 -0.01 0.08 -0.04 2.02 2.09 2glfB1 PRO 164 HG2 0.04 0.04 0.08 -0.04 2.03 2.14 2glfB1 PRO 164 HG3 0.03 0.02 0.04 -0.04 2.03 2.08 2glfB1 PRO 164 HD2 0.05 0.19 0.12 -0.04 3.68 3.99 2glfB1 PRO 164 HD3 0.05 0.08 -0.15 -0.04 3.65 3.59 2glfB1 ASP 165 H 0.07 0.04 0.18 -0.55 8.40 8.14 2glfB1 ASP 165 HA 0.11 0.09 0.50 -0.75 4.63 4.58 2glfB1 ASP 165 HB2 0.10 0.03 0.03 -0.04 2.71 2.83 2glfB1 ASP 165 HB3 0.09 0.00 -0.06 -0.04 2.70 2.69 2glfB1 LEU 166 H 0.10 0.10 0.12 -0.55 8.37 8.15 2glfB1 LEU 166 HA 0.05 0.10 0.59 -0.75 4.35 4.34 2glfB1 LEU 166 HB2 0.05 0.02 0.06 -0.04 1.64 1.73 2glfB1 LEU 166 HB3 0.06 -0.02 0.06 -0.04 1.64 1.70 2glfB1 LEU 166 HG 0.05 0.13 -0.24 -0.04 1.64 1.54 2glfB1 LEU 166 HD13 0.03 -0.02 0.01 -0.04 0.93 0.91 2glfB1 LEU 166 HD23 0.02 0.00 -0.11 -0.04 0.89 0.76 2glfB1 LEU 167 H 0.06 0.10 0.11 -0.55 8.37 8.09 2glfB1 LEU 167 HA 0.10 0.19 0.41 -0.75 4.35 4.30 2glfB1 LEU 167 HB2 0.29 -0.06 0.06 -0.04 1.64 1.89 2glfB1 LEU 167 HB3 0.09 0.10 0.11 -0.04 1.64 1.89 2glfB1 LEU 167 HG 0.03 0.09 0.07 -0.04 1.64 1.79 2glfB1 LEU 167 HD13 0.07 -0.11 0.05 -0.04 0.93 0.89 2glfB1 LEU 167 HD23 -0.03 -0.01 -0.01 -0.04 0.89 0.80 2glfB1 PRO 168 HA 0.01 0.13 0.41 -0.51 4.44 4.47 2glfB1 PRO 168 HB2 -0.13 0.05 -0.00 -0.04 2.28 2.16 2glfB1 PRO 168 HB3 -0.02 0.07 0.13 -0.04 2.02 2.16 2glfB1 PRO 168 HG2 -0.24 -0.05 0.07 -0.04 2.03 1.77 2glfB1 PRO 168 HG3 -0.03 0.08 0.08 -0.04 2.03 2.11 2glfB1 PRO 168 HD2 0.17 0.05 0.22 -0.04 3.68 4.08 2glfB1 PRO 168 HD3 0.07 0.22 0.20 -0.04 3.65 4.10 2glfB1 HIS 169 H 0.17 0.05 -0.36 -0.55 8.41 7.72 2glfB1 HIS 169 HA 0.01 0.08 0.31 -0.75 4.63 4.28 2glfB1 HIS 169 HB2 0.01 -0.03 -0.03 -0.04 3.26 3.17 2glfB1 HIS 169 HB3 0.01 0.02 -0.01 -0.04 3.20 3.18 2glfB1 HIS 169 HD2 0.01 0.01 0.00 -0.04 6.97 6.94 2glfB1 HIS 169 HE1 0.01 0.03 0.01 -0.04 7.75 7.76 2glfB1 LEU 170 H 0.11 0.27 -0.24 -0.55 8.37 7.96 2glfB1 LEU 170 HA 0.04 0.20 0.84 -0.75 4.35 4.68 2glfB1 LEU 170 HB2 0.05 -0.00 0.03 -0.04 1.64 1.67 2glfB1 LEU 170 HB3 0.03 -0.03 0.08 -0.04 1.64 1.68 2glfB1 LEU 170 HG 0.03 -0.00 0.01 -0.04 1.64 1.63 2glfB1 LEU 170 HD13 0.06 0.03 -0.28 -0.04 0.93 0.70 2glfB1 LEU 170 HD23 0.02 -0.01 -0.02 -0.04 0.89 0.84 2glfB1 ASP 171 H 0.03 0.29 -0.31 -0.55 8.40 7.87 2glfB1 ASP 171 HA 0.01 -0.04 0.50 -0.75 4.63 4.34 2glfB1 ASP 171 HB2 0.03 0.07 -0.12 -0.04 2.71 2.64 2glfB1 ASP 171 HB3 0.00 0.06 0.13 -0.04 2.70 2.86 2glfB1 LYS 172 H -0.01 0.14 0.15 -0.55 8.42 8.15 2glfB1 LYS 172 HA -0.01 0.21 0.62 -0.75 4.32 4.38 2glfB1 LYS 172 HB2 -0.00 0.09 0.01 -0.04 1.87 1.93 2glfB1 LYS 172 HB3 -0.01 -0.14 0.16 -0.04 1.79 1.77 2glfB1 LYS 172 HG2 -0.00 -0.03 -0.02 -0.04 1.46 1.37 2glfB1 LYS 172 HG3 -0.01 -0.05 -0.19 -0.04 1.46 1.17 2glfB1 LYS 172 HD2 -0.01 -0.05 -0.04 -0.04 1.69 1.56 2glfB1 LYS 172 HD3 -0.01 0.05 0.03 -0.04 1.68 1.71 2glfB1 LYS 172 HE2 0.00 -0.04 -0.04 -0.04 2.99 2.87 2glfB1 LYS 172 HE3 -0.00 -0.01 -0.04 -0.04 2.99 2.89 2glfB1 GLU 173 H -0.02 0.04 0.08 -0.55 8.60 8.16 2glfB1 GLU 173 HA -0.03 -0.00 0.37 -0.75 4.29 3.88 2glfB1 GLU 173 HB2 -0.03 -0.03 0.15 -0.04 2.09 2.14 2glfB1 GLU 173 HB3 -0.04 -0.02 -0.05 -0.04 1.99 1.84 2glfB1 GLU 173 HG2 -0.02 -0.00 0.02 -0.04 2.34 2.29 2glfB1 GLU 173 HG3 -0.02 0.02 -0.01 -0.04 2.34 2.29 2glfB1 ASP 174 H -0.03 0.10 0.14 -0.55 8.40 8.07 2glfB1 ASP 174 HA -0.05 0.16 0.63 -0.75 4.63 4.62 2glfB1 ASP 174 HB2 -0.03 0.08 0.13 -0.04 2.71 2.86 2glfB1 ASP 174 HB3 -0.02 -0.08 0.23 -0.04 2.70 2.78 2glfB1 ALA 175 H -0.08 0.29 -0.16 -0.55 8.40 7.90 2glfB1 ALA 175 HA -0.04 0.07 0.47 -0.75 4.34 4.08 2glfB1 ALA 175 HB3 -0.08 -0.02 -0.08 -0.04 1.41 1.18 2glfB1 LYS 176 H -0.04 0.05 0.11 -0.55 8.42 7.99 2glfB1 LYS 176 HA -0.03 0.19 0.81 -0.75 4.32 4.53 2glfB1 LYS 176 HB2 -0.00 -0.02 0.07 -0.04 1.87 1.88 2glfB1 LYS 176 HB3 -0.01 0.06 0.05 -0.04 1.79 1.85 2glfB1 LYS 176 HG2 -0.02 -0.03 0.13 -0.04 1.46 1.51 2glfB1 LYS 176 HG3 -0.01 -0.13 0.07 -0.04 1.46 1.35 2glfB1 LYS 176 HD2 -0.00 -0.00 0.04 -0.04 1.69 1.68 2glfB1 LYS 176 HD3 0.00 0.01 0.02 -0.04 1.68 1.68 2glfB1 LYS 176 HE2 0.00 0.01 0.02 -0.04 2.99 2.98 2glfB1 LYS 176 HE3 -0.00 0.04 0.02 -0.04 2.99 3.00 2glfB1 ILE 177 H -0.00 0.11 0.11 -0.55 8.25 7.91 2glfB1 ILE 177 HA 0.06 0.09 0.26 -0.75 4.18 3.84 2glfB1 ILE 177 HB 0.06 -0.09 0.08 -0.04 1.89 1.90 2glfB1 ILE 177 HG12 0.00 -0.04 0.12 -0.04 1.49 1.52 2glfB1 ILE 177 HG13 0.02 -0.00 0.04 -0.04 1.21 1.23 2glfB1 ILE 177 HG23 0.20 0.01 -0.12 -0.04 0.93 0.99 2glfB1 ILE 177 HD13 0.00 0.01 0.01 -0.04 0.88 0.86 2glfB1 SER 178 H 0.03 -0.14 -0.39 -0.55 8.46 7.41 2glfB1 SER 178 HA 0.05 -0.00 0.42 -0.75 4.49 4.20 2glfB1 SER 178 HB2 0.01 -0.16 0.15 -0.04 3.95 3.92 2glfB1 SER 178 HB3 0.02 -0.01 0.05 -0.04 3.93 3.95 2glfB1 GLU 179 H -0.01 -0.10 0.07 -0.55 8.60 8.02 2glfB1 GLU 179 HA -0.01 -0.02 0.42 -0.75 4.29 3.93 2glfB1 GLU 179 HB2 -0.02 -0.05 0.11 -0.04 2.09 2.10 2glfB1 GLU 179 HB3 -0.04 -0.06 0.05 -0.04 1.99 1.90 2glfB1 GLU 179 HG2 -0.06 -0.09 0.04 -0.04 2.34 2.19 2glfB1 GLU 179 HG3 -0.02 -0.00 0.07 -0.04 2.34 2.34 2glfB1 LYS 180 H -0.07 -0.06 -0.02 -0.55 8.42 7.73 2glfB1 LYS 180 HA -0.19 -0.13 0.31 -0.75 4.32 3.56 2glfB1 LYS 180 HB2 -0.25 -0.17 -0.28 -0.04 1.87 1.13 2glfB1 LYS 180 HB3 -0.39 0.47 0.07 -0.04 1.79 1.91 2glfB1 LYS 180 HG2 -1.66 0.03 -0.23 -0.04 1.46 -0.44 2glfB1 LYS 180 HG3 -0.47 -0.09 -0.02 -0.04 1.46 0.84 2glfB1 LYS 180 HD2 -0.31 -0.06 -0.14 -0.04 1.69 1.15 2glfB1 LYS 180 HD3 -0.64 0.03 -0.18 -0.04 1.68 0.84 2glfB1 LYS 180 HE2 -0.19 0.02 -0.07 -0.04 2.99 2.72 2glfB1 LYS 180 HE3 -0.53 -0.01 -0.07 -0.04 2.99 2.33 2glfB1 PHE 181 H -0.08 0.01 0.04 -0.55 8.34 7.76 2glfB1 PHE 181 HA 0.03 0.02 0.25 -0.75 4.62 4.16 2glfB1 PHE 181 HB2 0.04 0.52 0.45 -0.04 3.15 4.11 2glfB1 PHE 181 HB3 0.05 -0.12 0.02 -0.04 3.06 2.96 2glfB1 PHE 181 HD2 0.09 0.07 -0.04 -0.04 7.28 7.35 2glfB1 PHE 181 HE2 -0.03 -0.02 -0.04 -0.04 7.38 7.25 2glfB1 PHE 181 HZ -0.00 0.02 -0.04 -0.04 7.32 7.25 2glfB1 LYS 182 H 0.10 0.04 0.04 -0.55 8.42 8.04 2glfB1 LYS 182 HA 0.05 0.23 0.64 -0.75 4.32 4.48 2glfB1 LYS 182 HB2 0.03 -0.10 0.09 -0.04 1.87 1.86 2glfB1 LYS 182 HB3 0.02 0.00 0.06 -0.04 1.79 1.84 2glfB1 LYS 182 HG2 0.02 -0.10 -0.00 -0.04 1.46 1.33 2glfB1 LYS 182 HG3 0.01 0.04 0.02 -0.04 1.46 1.49 2glfB1 LYS 182 HD2 0.01 0.03 0.00 -0.04 1.69 1.70 2glfB1 LYS 182 HD3 0.01 0.15 -0.16 -0.04 1.68 1.64 2glfB1 LYS 182 HE2 -0.01 0.04 0.01 -0.04 2.99 2.99 2glfB1 LYS 182 HE3 -0.02 -0.15 0.01 -0.04 2.99 2.79 2glfB1 GLY 183 H 0.04 0.22 0.14 -0.55 8.43 8.28 2glfB1 GLY 183 HA2 0.01 0.10 0.32 -0.51 4.01 3.92 2glfB1 GLY 183 HA3 0.10 0.06 0.34 -0.51 4.01 4.00 2glfB1 GLU 184 H 0.01 -0.01 -0.31 -0.55 8.60 7.74 2glfB1 GLU 184 HA -0.03 0.17 0.40 -0.75 4.29 4.07 2glfB1 GLU 184 HB2 0.00 -0.10 0.03 -0.04 2.09 1.98 2glfB1 GLU 184 HB3 -0.01 0.04 -0.07 -0.04 1.99 1.92 2glfB1 GLU 184 HG2 -0.02 -0.05 0.04 -0.04 2.34 2.27 2glfB1 GLU 184 HG3 -0.01 -0.02 0.02 -0.04 2.34 2.29 2glfB1 ASN 185 H 0.03 0.24 -0.27 -0.55 8.53 7.98 2glfB1 ASN 185 HA 0.02 0.11 0.50 -0.75 4.76 4.64 2glfB1 ASN 185 HB2 0.07 0.01 0.06 -0.04 2.88 2.98 2glfB1 ASN 185 HB3 0.05 0.03 0.16 -0.04 2.79 2.99 2glfB1 ASN 185 HD21 0.02 -0.02 0.02 -0.04 7.03 7.02 2glfB1 ASN 185 HD22 0.05 -0.10 0.07 -0.04 7.74 7.72 2glfB1 LEU 186 H 0.01 0.38 -0.70 -0.55 8.37 7.52 2glfB1 LEU 186 HA 0.04 0.17 0.56 -0.75 4.35 4.37 2glfB1 LEU 186 HB2 -0.01 0.13 0.09 -0.04 1.64 1.82 2glfB1 LEU 186 HB3 -0.01 -0.01 0.02 -0.04 1.64 1.60 2glfB1 LEU 186 HG 0.02 -0.01 -0.24 -0.04 1.64 1.37 2glfB1 LEU 186 HD13 -0.11 -0.03 -0.04 -0.04 0.93 0.70 2glfB1 LEU 186 HD23 0.06 0.03 -0.15 -0.04 0.89 0.79 2glfB1 LEU 188 HA 0.10 0.09 0.23 -0.75 4.35 4.02 2glfB1 LEU 188 HB2 0.17 -0.08 -0.10 -0.04 1.64 1.59 2glfB1 LEU 188 HB3 0.23 -0.07 -0.03 -0.04 1.64 1.73 2glfB1 LEU 188 HG 0.07 0.07 -0.03 -0.04 1.64 1.72 2glfB1 LEU 188 HD13 0.11 -0.02 -0.17 -0.04 0.93 0.81 2glfB1 LEU 188 HD23 0.14 -0.02 -0.30 -0.04 0.89 0.67 2glfB1 ILE 189 H 0.10 0.37 0.30 -0.55 8.25 8.47 2glfB1 ILE 189 HA -0.04 0.10 0.74 -0.75 4.18 4.22 2glfB1 ILE 189 HB 0.05 -0.02 0.23 -0.04 1.89 2.10 2glfB1 ILE 189 HG12 -0.01 0.02 0.05 -0.04 1.49 1.51 2glfB1 ILE 189 HG13 0.02 0.06 0.09 -0.04 1.21 1.34 2glfB1 ILE 189 HG23 -0.01 -0.01 -0.19 -0.04 0.93 0.69 2glfB1 ILE 189 HD13 0.01 -0.02 0.01 -0.04 0.88 0.83 2glfB1 ALA 190 H -0.21 0.67 0.30 -0.55 8.40 8.61 2glfB1 ALA 190 HA -0.19 0.14 0.51 -0.75 4.34 4.05 2glfB1 ALA 190 HB3 -0.85 -0.06 -0.26 -0.04 1.41 0.20 2glfB1 GLY 191 H -0.11 0.40 0.23 -0.55 8.43 8.41 2glfB1 GLY 191 HA2 -0.02 0.14 0.44 -0.51 4.01 4.06 2glfB1 GLY 191 HA3 -0.04 0.03 0.32 -0.51 4.01 3.82 2glfB1 THR 192 H -0.02 -0.01 0.22 -0.55 8.28 7.93 2glfB1 THR 192 HA -0.03 0.20 0.99 -0.75 4.39 4.80 2glfB1 THR 192 HB -0.02 0.04 0.13 -0.04 4.32 4.43 2glfB1 THR 192 HG23 -0.02 0.01 -0.18 -0.04 1.22 0.99 2glfB1 ILE 193 H -0.01 -0.09 0.18 -0.55 8.25 7.77 2glfB1 ILE 193 HA -0.01 0.17 0.57 -0.75 4.18 4.16 2glfB1 ILE 193 HB -0.00 -0.03 0.10 -0.04 1.89 1.91 2glfB1 ILE 193 HG12 -0.01 0.05 0.03 -0.04 1.49 1.52 2glfB1 ILE 193 HG13 -0.01 -0.11 0.07 -0.04 1.21 1.12 2glfB1 ILE 193 HG23 -0.00 0.00 -0.20 -0.04 0.93 0.69 2glfB1 ILE 193 HD13 -0.01 0.02 0.02 -0.04 0.88 0.87 2glfB1 PRO 194 HA -0.00 0.05 0.41 -0.51 4.44 4.39 2glfB1 PRO 194 HB2 -0.00 0.03 -0.14 -0.04 2.28 2.13 2glfB1 PRO 194 HB3 -0.01 -0.02 -0.06 -0.04 2.02 1.89 2glfB1 PRO 194 HG2 -0.00 0.00 0.06 -0.04 2.03 2.05 2glfB1 PRO 194 HG3 -0.01 0.05 0.05 -0.04 2.03 2.08 2glfB1 PRO 194 HD2 -0.01 0.07 0.24 -0.04 3.68 3.94 2glfB1 PRO 194 HD3 -0.01 0.34 0.28 -0.04 3.65 4.22 2glfB1 LEU 195 H 0.00 0.33 0.02 -0.55 8.37 8.17 2glfB1 LEU 195 HA 0.00 0.07 0.46 -0.75 4.35 4.14 2glfB1 LEU 195 HB2 0.01 0.02 0.14 -0.04 1.64 1.76 2glfB1 LEU 195 HB3 0.01 -0.09 0.08 -0.04 1.64 1.59 2glfB1 LEU 195 HG 0.01 0.02 -0.01 -0.04 1.64 1.63 2glfB1 LEU 195 HD13 0.01 -0.01 -0.11 -0.04 0.93 0.78 2glfB1 LEU 195 HD23 0.00 0.04 -0.03 -0.04 0.89 0.87 2glfB1 SER 196 H 0.00 0.15 0.19 -0.55 8.46 8.25 2glfB1 SER 196 HA 0.00 0.04 0.42 -0.75 4.49 4.19 2glfB1 SER 196 HB2 0.00 -0.01 0.05 -0.04 3.95 3.95 2glfB1 SER 196 HB3 -0.00 0.06 0.13 -0.04 3.93 4.08 2glfB1 GLY 197 H 0.00 0.16 0.12 -0.55 8.43 8.16 2glfB1 GLY 197 HA2 0.00 -0.01 0.31 -0.51 4.01 3.81 2glfB1 GLY 197 HA3 0.00 0.20 0.75 -0.51 4.01 4.45 2glfB1 GLU 198 H 0.00 0.36 -0.27 -0.55 8.60 8.14 2glfB1 GLU 198 HA 0.00 0.07 0.62 -0.75 4.29 4.23 2glfB1 GLU 198 HB2 0.00 0.23 0.10 -0.04 2.09 2.38 2glfB1 GLU 198 HB3 0.00 -0.06 -0.17 -0.04 1.99 1.71 2glfB1 GLU 198 HG2 0.01 0.04 -0.13 -0.04 2.34 2.22 2glfB1 GLU 198 HG3 0.01 -0.02 -0.02 -0.04 2.34 2.26 2glfB1 GLU 199 H 0.00 0.17 0.18 -0.55 8.60 8.40 2glfB1 GLU 199 HA 0.00 0.12 0.50 -0.75 4.29 4.16 2glfB1 GLU 199 HB2 0.00 -0.02 0.08 -0.04 2.09 2.11 2glfB1 GLU 199 HB3 0.00 0.00 0.07 -0.04 1.99 2.02 2glfB1 GLU 199 HG2 0.00 0.02 -0.02 -0.04 2.34 2.31 2glfB1 GLU 199 HG3 0.00 0.05 0.12 -0.04 2.34 2.48 2glfB1 LYS 200 H 0.00 0.13 -0.05 -0.55 8.42 7.96 2glfB1 LYS 200 HA 0.00 0.20 0.98 -0.75 4.32 4.75 2glfB1 LYS 200 HB2 0.00 0.01 -0.02 -0.04 1.87 1.82 2glfB1 LYS 200 HB3 0.00 0.06 -0.12 -0.04 1.79 1.69 2glfB1 LYS 200 HG2 0.00 -0.05 0.01 -0.04 1.46 1.39 2glfB1 LYS 200 HG3 0.01 0.02 -0.04 -0.04 1.46 1.40 2glfB1 LYS 200 HD2 0.01 0.02 -0.03 -0.04 1.69 1.64 2glfB1 LYS 200 HD3 0.00 0.02 -0.07 -0.04 1.68 1.59 2glfB1 LYS 200 HE2 0.00 0.03 -0.03 -0.04 2.99 2.95 2glfB1 LYS 200 HE3 0.00 0.00 -0.04 -0.04 2.99 2.92 2glfB1 GLU 201 H -0.00 0.19 0.09 -0.55 8.60 8.33 2glfB1 GLU 201 HA -0.01 -0.03 0.29 -0.75 4.29 3.80 2glfB1 GLU 201 HB2 0.00 0.15 -0.18 -0.04 2.09 2.02 2glfB1 GLU 201 HB3 -0.00 -0.07 0.13 -0.04 1.99 2.01 2glfB1 GLU 201 HG2 -0.01 -0.02 0.05 -0.04 2.34 2.32 2glfB1 GLU 201 HG3 -0.00 -0.01 -0.02 -0.04 2.34 2.27 2glfB1 ALA 202 H -0.00 0.15 -0.26 -0.55 8.40 7.74 2glfB1 ALA 202 HA 0.00 0.14 0.27 -0.75 4.34 4.00 2glfB1 ALA 202 HB3 -0.00 0.08 -0.02 -0.04 1.41 1.43 2glfB1 VAL 203 H -0.01 0.05 -0.26 -0.55 8.24 7.48 2glfB1 VAL 203 HA -0.01 0.33 0.42 -0.75 4.13 4.12 2glfB1 VAL 203 HB -0.03 -0.14 -0.24 -0.04 2.12 1.68 2glfB1 VAL 203 HG13 -0.03 0.07 -0.43 -0.04 0.97 0.54 2glfB1 VAL 203 HG23 -0.01 0.10 -0.32 -0.04 0.95 0.67 2glfB1 LYS 204 H -0.01 0.03 -0.28 -0.55 8.42 7.61 2glfB1 LYS 204 HA -0.03 0.09 0.31 -0.75 4.32 3.94 2glfB1 LYS 204 HB2 -0.02 -0.04 -0.11 -0.04 1.87 1.66 2glfB1 LYS 204 HB3 -0.00 0.11 0.01 -0.04 1.79 1.87 2glfB1 LYS 204 HG2 0.02 0.00 -0.29 -0.04 1.46 1.15 2glfB1 LYS 204 HG3 -0.00 0.03 -0.11 -0.04 1.46 1.33 2glfB1 LYS 204 HD2 -0.01 -0.09 -0.24 -0.04 1.69 1.31 2glfB1 LYS 204 HD3 0.01 -0.02 -0.10 -0.04 1.68 1.52 2glfB1 LYS 204 HE2 0.04 -0.07 -0.09 -0.04 2.99 2.83 2glfB1 LYS 204 HE3 0.03 0.00 -0.21 -0.04 2.99 2.76 2glfB1 THR 205 H 0.01 0.40 -0.28 -0.55 8.28 7.86 2glfB1 THR 205 HA 0.03 0.04 0.41 -0.75 4.39 4.11 2glfB1 THR 205 HB 0.01 0.08 0.12 -0.04 4.32 4.49 2glfB1 THR 205 HG23 0.02 -0.01 -0.10 -0.04 1.22 1.08 2glfB1 ASN 206 H 0.01 0.38 -0.20 -0.55 8.53 8.18 2glfB1 ASN 206 HA 0.02 0.02 0.40 -0.75 4.76 4.45 2glfB1 ASN 206 HB2 0.01 -0.11 0.16 -0.04 2.88 2.90 2glfB1 ASN 206 HB3 0.01 0.21 0.15 -0.04 2.79 3.11 2glfB1 ASN 206 HD21 0.01 -0.01 -0.08 -0.04 7.03 6.90 2glfB1 ASN 206 HD22 0.01 0.04 -0.13 -0.04 7.74 7.62 2glfB1 VAL 207 H 0.02 0.41 -0.24 -0.55 8.24 7.88 2glfB1 VAL 207 HA 0.06 0.08 0.45 -0.75 4.13 3.96 2glfB1 VAL 207 HB 0.02 0.08 0.08 -0.04 2.12 2.25 2glfB1 VAL 207 HG13 0.07 0.01 -0.14 -0.04 0.97 0.87 2glfB1 VAL 207 HG23 -0.04 0.05 -0.11 -0.04 0.95 0.81 2glfB1 LEU 208 H 0.07 0.46 -0.15 -0.55 8.37 8.20 2glfB1 LEU 208 HA 0.15 0.04 0.39 -0.75 4.35 4.19 2glfB1 LEU 208 HB2 0.07 0.11 0.15 -0.04 1.64 1.93 2glfB1 LEU 208 HB3 0.08 -0.06 0.02 -0.04 1.64 1.64 2glfB1 LEU 208 HG 0.11 0.14 0.04 -0.04 1.64 1.88 2glfB1 LEU 208 HD13 0.08 -0.03 -0.02 -0.04 0.93 0.91 2glfB1 LEU 208 HD23 0.22 -0.02 -0.05 -0.04 0.89 1.00 2glfB1 LYS 209 H 0.05 0.48 -0.27 -0.55 8.42 8.13 2glfB1 LYS 209 HA 0.04 0.01 0.43 -0.75 4.32 4.04 2glfB1 LYS 209 HB2 0.03 -0.02 0.08 -0.04 1.87 1.92 2glfB1 LYS 209 HB3 0.03 0.14 0.20 -0.04 1.79 2.11 2glfB1 LYS 209 HG2 0.02 0.03 -0.18 -0.04 1.46 1.30 2glfB1 LYS 209 HG3 0.02 -0.03 0.03 -0.04 1.46 1.44 2glfB1 LYS 209 HD2 0.01 -0.04 -0.02 -0.04 1.69 1.60 2glfB1 LYS 209 HD3 0.02 -0.03 -0.01 -0.04 1.68 1.61 2glfB1 LYS 209 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 2glfB1 LYS 209 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 2glfB1 ILE 210 H 0.06 0.44 -0.22 -0.55 8.25 7.98 2glfB1 ILE 210 HA 0.03 0.01 0.48 -0.75 4.18 3.96 2glfB1 ILE 210 HB 0.09 0.11 0.20 -0.04 1.89 2.25 2glfB1 ILE 210 HG12 0.03 -0.06 0.04 -0.04 1.49 1.45 2glfB1 ILE 210 HG13 0.04 0.24 0.12 -0.04 1.21 1.57 2glfB1 ILE 210 HG23 0.07 -0.01 -0.10 -0.04 0.93 0.85 2glfB1 ILE 210 HD13 0.04 -0.04 -0.03 -0.04 0.88 0.81 2glfB1 LEU 211 H 0.13 0.62 -0.04 -0.55 8.37 8.53 2glfB1 LEU 211 HA 0.25 0.07 0.38 -0.75 4.35 4.29 2glfB1 LEU 211 HB2 0.17 0.00 0.08 -0.04 1.64 1.85 2glfB1 LEU 211 HB3 0.17 -0.07 -0.09 -0.04 1.64 1.61 2glfB1 LEU 211 HG 0.26 0.15 -0.00 -0.04 1.64 2.01 2glfB1 LEU 211 HD13 0.47 -0.04 -0.15 -0.04 0.93 1.17 2glfB1 LEU 211 HD23 0.31 -0.00 -0.06 -0.04 0.89 1.10 2glfB1 ASN 212 H 0.08 0.41 -0.34 -0.55 8.53 8.13 2glfB1 ASN 212 HA 0.05 -0.11 0.67 -0.75 4.76 4.61 2glfB1 ASN 212 HB2 0.04 0.07 0.13 -0.04 2.88 3.09 2glfB1 ASN 212 HB3 0.04 0.02 0.11 -0.04 2.79 2.92 2glfB1 ASN 212 HD21 0.01 -0.09 -0.12 -0.04 7.03 6.80 2glfB1 ASN 212 HD22 0.02 0.52 -0.14 -0.04 7.74 8.09 2glfB1 GLU 213 H 0.02 0.36 -0.26 -0.55 8.60 8.17 2glfB1 GLU 213 HA -0.01 0.04 0.46 -0.75 4.29 4.03 2glfB1 GLU 213 HB2 -0.01 0.11 0.19 -0.04 2.09 2.34 2glfB1 GLU 213 HB3 -0.02 -0.09 0.13 -0.04 1.99 1.97 2glfB1 GLU 213 HG2 0.00 -0.11 0.01 -0.04 2.34 2.21 2glfB1 GLU 213 HG3 0.01 0.54 0.20 -0.04 2.34 3.05 2glfB1 TYR 215 HA -0.03 -0.05 0.25 -0.75 4.56 3.97 2glfB1 TYR 215 HB2 -0.07 -0.02 -0.00 -0.04 3.06 2.93 2glfB1 TYR 215 HB3 -0.08 -0.07 0.03 -0.04 2.98 2.82 2glfB1 TYR 215 HD2 -0.03 0.04 0.07 -0.04 7.15 7.18 2glfB1 TYR 215 HE2 -0.00 0.02 0.02 -0.04 6.85 6.84 2glfB1 GLY 216 H 0.04 0.37 -0.09 -0.55 8.43 8.20 2glfB1 GLY 216 HA2 0.02 0.17 0.43 -0.51 4.01 4.12 2glfB1 GLY 216 HA3 0.02 -0.07 0.42 -0.51 4.01 3.87 2glfB1 ILE 217 H 0.05 0.24 -0.21 -0.55 8.25 7.79 2glfB1 ILE 217 HA -0.04 0.10 0.68 -0.75 4.18 4.16 2glfB1 ILE 217 HB -0.21 -0.09 -0.03 -0.04 1.89 1.53 2glfB1 ILE 217 HG12 0.05 0.28 -0.21 -0.04 1.49 1.57 2glfB1 ILE 217 HG13 -0.05 -0.11 -0.53 -0.04 1.21 0.48 2glfB1 ILE 217 HG23 -0.10 0.02 -0.24 -0.04 0.93 0.57 2glfB1 ILE 217 HD13 -0.32 -0.01 -0.19 -0.04 0.88 0.32 2glfB1 THR 218 H -0.07 0.16 0.17 -0.55 8.28 7.99 2glfB1 THR 218 HA 0.02 0.26 0.78 -0.75 4.39 4.70 2glfB1 THR 218 HB 0.02 -0.09 0.11 -0.04 4.32 4.32 2glfB1 THR 218 HG23 0.01 0.05 -0.15 -0.04 1.22 1.10 2glfB1 GLU 219 H 0.08 0.19 0.12 -0.55 8.60 8.44 2glfB1 GLU 219 HA 0.29 0.13 0.32 -0.75 4.29 4.28 2glfB1 GLU 219 HB2 0.14 0.03 0.13 -0.04 2.09 2.35 2glfB1 GLU 219 HB3 0.10 -0.03 0.09 -0.04 1.99 2.11 2glfB1 GLU 219 HG2 0.13 0.01 -0.15 -0.04 2.34 2.30 2glfB1 GLU 219 HG3 0.22 0.02 0.11 -0.04 2.34 2.66 2glfB1 GLU 220 H 0.05 0.04 -0.33 -0.55 8.60 7.81 2glfB1 GLU 220 HA 0.08 0.14 0.50 -0.75 4.29 4.25 2glfB1 GLU 220 HB2 0.04 -0.01 0.07 -0.04 2.09 2.15 2glfB1 GLU 220 HB3 0.02 -0.02 0.03 -0.04 1.99 1.98 2glfB1 GLU 220 HG2 0.02 0.03 -0.04 -0.04 2.34 2.32 2glfB1 GLU 220 HG3 0.03 0.02 0.12 -0.04 2.34 2.46 2glfB1 ASP 221 H -0.04 0.53 -0.23 -0.55 8.40 8.10 2glfB1 ASP 221 HA -0.02 0.12 0.46 -0.75 4.63 4.43 2glfB1 ASP 221 HB2 -0.25 0.11 0.05 -0.04 2.71 2.58 2glfB1 ASP 221 HB3 -0.16 0.07 -0.05 -0.04 2.70 2.52 2glfB1 PHE 222 H 0.08 0.28 -0.38 -0.55 8.34 7.76 2glfB1 PHE 222 HA -0.02 0.04 0.42 -0.75 4.62 4.30 2glfB1 PHE 222 HB2 0.02 0.09 0.17 -0.04 3.15 3.39 2glfB1 PHE 222 HB3 0.02 0.16 0.06 -0.04 3.06 3.25 2glfB1 PHE 222 HD2 0.00 0.08 0.03 -0.04 7.28 7.36 2glfB1 PHE 222 HE2 -0.02 -0.04 -0.11 -0.04 7.38 7.16 2glfB1 PHE 222 HZ 0.07 0.00 -0.12 -0.04 7.32 7.23 2glfB1 VAL 223 H 0.11 0.19 -0.24 -0.55 8.24 7.75 2glfB1 VAL 223 HA 0.08 0.05 0.53 -0.75 4.13 4.03 2glfB1 VAL 223 HB 0.05 0.06 0.17 -0.04 2.12 2.36 2glfB1 VAL 223 HG13 0.03 -0.03 -0.05 -0.04 0.97 0.88 2glfB1 VAL 223 HG23 0.06 -0.04 0.03 -0.04 0.95 0.97 2glfB1 SER 224 H 0.05 0.16 -0.16 -0.55 8.46 7.96 2glfB1 SER 224 HA 0.04 0.09 0.61 -0.75 4.49 4.48 2glfB1 SER 224 HB2 0.04 -0.03 0.17 -0.04 3.95 4.10 2glfB1 SER 224 HB3 0.02 -0.08 0.09 -0.04 3.93 3.92 2glfB1 GLY 225 H 0.07 0.60 -0.60 -0.55 8.43 7.95 2glfB1 GLY 225 HA2 0.09 0.12 0.85 -0.51 4.01 4.56 2glfB1 GLY 225 HA3 0.02 0.00 0.34 -0.51 4.01 3.86 2glfB1 GLU 226 H -0.05 0.64 0.29 -0.55 8.60 8.93 2glfB1 GLU 226 HA -0.04 0.17 0.82 -0.75 4.29 4.48 2glfB1 GLU 226 HB2 -0.00 -0.02 0.10 -0.04 2.09 2.13 2glfB1 GLU 226 HB3 -0.06 -0.06 0.12 -0.04 1.99 1.95 2glfB1 GLU 226 HG2 -0.04 -0.01 0.08 -0.04 2.34 2.33 2glfB1 GLU 226 HG3 -0.00 0.20 -0.08 -0.04 2.34 2.42 2glfB1 ILE 227 H -0.13 0.27 0.14 -0.55 8.25 7.97 2glfB1 ILE 227 HA -0.28 0.22 1.05 -0.75 4.18 4.41 2glfB1 ILE 227 HB -0.78 -0.00 0.08 -0.04 1.89 1.15 2glfB1 ILE 227 HG12 -0.38 -0.00 -0.24 -0.04 1.49 0.82 2glfB1 ILE 227 HG13 -0.24 -0.06 -0.42 -0.04 1.21 0.45 2glfB1 ILE 227 HG23 -1.27 -0.01 -0.30 -0.04 0.93 -0.68 2glfB1 ILE 227 HD13 -0.24 0.01 -0.18 -0.04 0.88 0.43 2glfB1 GLU 228 H -0.17 0.84 0.44 -0.55 8.60 9.16 2glfB1 GLU 228 HA -0.09 0.28 1.16 -0.75 4.29 4.88 2glfB1 GLU 228 HB2 0.01 0.02 0.11 -0.04 2.09 2.19 2glfB1 GLU 228 HB3 -0.01 0.01 0.11 -0.04 1.99 2.06 2glfB1 GLU 228 HG2 -0.10 -0.04 -0.16 -0.04 2.34 2.00 2glfB1 GLU 228 HG3 -0.07 0.11 0.11 -0.04 2.34 2.44 2glfB1 VAL 229 H 0.01 0.74 0.43 -0.55 8.24 8.87 2glfB1 VAL 229 HA 0.02 0.23 0.94 -0.75 4.13 4.56 2glfB1 VAL 229 HB 0.08 -0.14 0.17 -0.04 2.12 2.19 2glfB1 VAL 229 HG13 0.20 0.00 -0.20 -0.04 0.97 0.93 2glfB1 VAL 229 HG23 0.17 0.02 -0.21 -0.04 0.95 0.90 2glfB1 VAL 230 H 0.07 0.73 0.37 -0.55 8.24 8.86 2glfB1 VAL 230 HA 0.01 0.14 0.93 -0.75 4.13 4.46 2glfB1 VAL 230 HB 0.11 -0.01 0.01 -0.04 2.12 2.19 2glfB1 VAL 230 HG13 -0.36 0.06 -0.06 -0.04 0.97 0.57 2glfB1 VAL 230 HG23 0.13 0.00 -0.17 -0.04 0.95 0.87 2glfB1 PRO 231 HA -0.44 0.09 0.62 -0.51 4.44 4.21 2glfB1 PRO 231 HB2 -1.08 0.01 0.05 -0.04 2.28 1.22 2glfB1 PRO 231 HB3 -0.71 -0.03 0.12 -0.04 2.02 1.37 2glfB1 PRO 231 HG2 -0.32 0.10 0.16 -0.04 2.03 1.93 2glfB1 PRO 231 HG3 -0.33 0.00 0.21 -0.04 2.03 1.86 2glfB1 PRO 231 HD2 -1.48 0.11 0.27 -0.04 3.68 2.54 2glfB1 PRO 231 HD3 -0.87 0.08 0.19 -0.04 3.65 3.02 2glfB1 ALA 232 H -0.46 0.84 0.33 -0.55 8.40 8.56 2glfB1 ALA 232 HA -0.10 0.10 0.28 -0.75 4.34 3.87 2glfB1 ALA 232 HB3 -0.13 -0.03 -0.18 -0.04 1.41 1.03 2glfB1 PHE 233 H -0.96 0.00 -0.11 -0.55 8.34 6.72 2glfB1 PHE 233 HA -0.03 0.00 0.38 -0.75 4.62 4.22 2glfB1 PHE 233 HB2 -0.10 0.13 -0.07 -0.04 3.15 3.07 2glfB1 PHE 233 HB3 -0.13 -0.07 0.07 -0.04 3.06 2.89 2glfB1 PHE 233 HD2 -0.06 0.02 -0.03 -0.04 7.28 7.17 2glfB1 PHE 233 HE2 -0.11 0.12 -0.05 -0.04 7.38 7.31 2glfB1 PHE 233 HZ -0.22 -0.03 -0.07 -0.04 7.32 6.96 2glfB1 SER 234 H 0.15 -0.00 0.16 -0.55 8.46 8.22 2glfB1 SER 234 HA 0.13 0.21 0.71 -0.75 4.49 4.79 2glfB1 SER 234 HB2 0.06 -0.10 0.06 -0.04 3.95 3.93 2glfB1 SER 234 HB3 0.04 0.10 0.13 -0.04 3.93 4.16 2glfB1 PRO 235 HA 0.07 0.33 0.65 -0.51 4.44 4.99 2glfB1 PRO 235 HB2 -0.06 0.01 -0.01 -0.04 2.28 2.18 2glfB1 PRO 235 HB3 -0.11 -0.04 -0.01 -0.04 2.02 1.82 2glfB1 PRO 235 HG2 -0.12 0.19 0.04 -0.04 2.03 2.09 2glfB1 PRO 235 HG3 -0.05 -0.04 0.08 -0.04 2.03 1.99 2glfB1 PRO 235 HD2 -0.01 0.10 0.21 -0.04 3.68 3.94 2glfB1 PRO 235 HD3 0.04 0.15 0.27 -0.04 3.65 4.06 2glfB1 ARG 236 H 0.07 0.53 0.41 -0.55 8.46 8.92 2glfB1 ARG 236 HA 0.05 0.13 0.84 -0.75 4.34 4.61 2glfB1 ARG 236 HB2 0.24 -0.05 0.07 -0.04 1.90 2.12 2glfB1 ARG 236 HB3 0.09 -0.00 0.13 -0.04 1.80 1.98 2glfB1 ARG 236 HG2 0.12 0.29 -0.39 -0.04 1.67 1.64 2glfB1 ARG 236 HG3 0.06 -0.11 -0.03 -0.04 1.67 1.55 2glfB1 ARG 236 HD2 0.04 0.12 0.17 -0.04 3.22 3.52 2glfB1 ARG 236 HD3 0.04 -0.03 -0.04 -0.04 3.22 3.16 2glfB1 GLU 237 H 0.04 0.08 0.18 -0.55 8.60 8.35 2glfB1 GLU 237 HA 0.04 0.16 0.61 -0.75 4.29 4.35 2glfB1 GLU 237 HB2 0.03 -0.06 0.10 -0.04 2.09 2.12 2glfB1 GLU 237 HB3 0.03 -0.01 0.06 -0.04 1.99 2.03 2glfB1 GLU 237 HG2 0.05 0.07 0.04 -0.04 2.34 2.46 2glfB1 GLU 237 HG3 0.03 -0.00 0.06 -0.04 2.34 2.38 2glfB1 VAL 238 H 0.04 0.60 0.24 -0.55 8.24 8.57 2glfB1 VAL 238 HA 0.04 0.17 0.87 -0.75 4.13 4.45 2glfB1 VAL 238 HB 0.01 -0.13 -0.24 -0.04 2.12 1.73 2glfB1 VAL 238 HG13 0.04 -0.02 -0.16 -0.04 0.97 0.79 2glfB1 VAL 238 HG23 0.02 0.06 -0.40 -0.04 0.95 0.59 2glfB1 GLY 239 H 0.02 0.18 0.07 -0.55 8.43 8.16 2glfB1 GLY 239 HA2 -0.00 0.09 0.27 -0.51 4.01 3.85 2glfB1 GLY 239 HA3 -0.01 0.14 0.74 -0.51 4.01 4.36 2glfB1 ASP 241 HA -0.11 0.03 0.28 -0.75 4.63 4.08 2glfB1 ASP 241 HB2 -0.28 0.03 0.10 -0.04 2.71 2.53 2glfB1 ASP 241 HB3 -0.15 0.01 0.12 -0.04 2.70 2.64 2glfB1 ARG 242 H -0.05 0.14 -2.43 -0.55 8.46 5.57 2glfB1 ARG 242 HA -0.00 0.07 0.02 -0.75 4.34 3.67 2glfB1 ARG 242 HB2 -0.02 0.11 0.07 -0.04 1.90 2.02 2glfB1 ARG 242 HB3 0.01 -0.04 0.11 -0.04 1.80 1.84 2glfB1 ARG 242 HG2 -0.01 0.08 -0.03 -0.04 1.67 1.67 2glfB1 ARG 242 HG3 -0.04 -0.12 -0.38 -0.04 1.67 1.09 2glfB1 ARG 242 HD2 -0.02 -0.04 -0.07 -0.04 3.22 3.05 2glfB1 ARG 242 HD3 -0.01 0.01 -0.08 -0.04 3.22 3.10 2glfB1 SER 243 H -0.09 0.04 -0.30 -0.55 8.46 7.56 2glfB1 SER 243 HA 0.11 0.14 0.57 -0.75 4.49 4.55 2glfB1 SER 243 HB2 0.02 -0.14 0.10 -0.04 3.95 3.88 2glfB1 SER 243 HB3 -0.56 0.08 -0.00 -0.04 3.93 3.40 2glfB1 LEU 244 H 0.05 0.42 -0.00 -0.55 8.37 8.29 2glfB1 LEU 244 HA 0.12 0.10 1.22 -0.75 4.35 5.04 2glfB1 LEU 244 HB2 0.03 -0.01 -0.05 -0.04 1.64 1.57 2glfB1 LEU 244 HB3 0.03 0.08 0.05 -0.04 1.64 1.76 2glfB1 LEU 244 HG 0.04 -0.11 -0.16 -0.04 1.64 1.37 2glfB1 LEU 244 HD13 0.03 -0.00 -0.12 -0.04 0.93 0.79 2glfB1 LEU 244 HD23 0.10 0.00 -0.26 -0.04 0.89 0.70 2glfB1 ILE 245 H 0.05 0.79 0.39 -0.55 8.25 8.93 2glfB1 ILE 245 HA 0.02 0.27 1.00 -0.75 4.18 4.71 2glfB1 ILE 245 HB 0.11 -0.11 -0.02 -0.04 1.89 1.83 2glfB1 ILE 245 HG12 0.10 0.10 -0.17 -0.04 1.49 1.48 2glfB1 ILE 245 HG13 0.13 -0.17 -0.36 -0.04 1.21 0.77 2glfB1 ILE 245 HG23 0.02 0.03 -0.24 -0.04 0.93 0.70 2glfB1 ILE 245 HD13 0.25 0.00 -0.12 -0.04 0.88 0.97 2glfB1 GLY 246 H -0.12 0.78 0.26 -0.55 8.43 8.80 2glfB1 GLY 246 HA2 -0.61 0.35 0.96 -0.51 4.01 4.20 2glfB1 GLY 246 HA3 -1.04 -0.03 0.24 -0.51 4.01 2.67 2glfB1 ALA 247 H -0.44 0.58 0.15 -0.55 8.40 8.14 2glfB1 ALA 247 HA 0.06 0.15 0.41 -0.75 4.34 4.21 2glfB1 ALA 247 HB3 -0.07 0.03 -0.15 -0.04 1.41 1.18 2glfB1 TYR 248 H 0.29 0.28 0.10 -0.55 8.29 8.40 2glfB1 TYR 248 HA 0.11 -0.02 0.54 -0.75 4.56 4.44 2glfB1 TYR 248 HB2 0.21 0.26 0.23 -0.04 3.06 3.72 2glfB1 TYR 248 HB3 0.13 0.08 0.16 -0.04 2.98 3.31 2glfB1 TYR 248 HD2 0.08 0.01 0.04 -0.04 7.15 7.24 2glfB1 TYR 248 HE2 0.22 0.16 0.04 -0.04 6.85 7.23 2glfB1 GLY 249 H -0.46 0.18 0.16 -0.55 8.43 7.76 2glfB1 GLY 249 HA2 -0.42 -0.00 0.30 -0.51 4.01 3.38 2glfB1 GLY 249 HA3 -0.57 0.23 0.34 -0.51 4.01 3.50 2glfB1 GLN 250 H -0.05 0.24 -0.29 -0.55 8.47 7.83 2glfB1 GLN 250 HA 0.11 0.10 0.27 -0.75 4.36 4.09 2glfB1 GLN 250 HB2 0.04 -0.03 -0.11 -0.04 2.15 2.01 2glfB1 GLN 250 HB3 0.10 -0.09 -0.08 -0.04 2.02 1.90 2glfB1 GLN 250 HG2 0.05 0.07 -0.25 -0.04 2.40 2.22 2glfB1 GLN 250 HG3 -0.02 0.29 -0.09 -0.04 2.39 2.52 2glfB1 GLN 250 HE21 0.00 -0.00 -0.19 -0.04 6.97 6.74 2glfB1 GLN 250 HE22 -0.12 0.34 -0.06 -0.04 7.69 7.81 2glfB1 ASP 251 H 0.04 0.10 -0.47 -0.55 8.40 7.52 2glfB1 ASP 251 HA 0.10 -0.02 0.35 -0.75 4.63 4.31 2glfB1 ASP 251 HB2 0.21 0.07 0.10 -0.04 2.71 3.05 2glfB1 ASP 251 HB3 0.18 0.05 0.19 -0.04 2.70 3.08 2glfB1 ASP 252 H 0.03 0.30 0.56 -0.55 8.40 8.74 2glfB1 ASP 252 HA -0.02 -0.23 0.52 -0.75 4.63 4.15 2glfB1 ASP 252 HB2 -0.77 0.09 -0.31 -0.04 2.71 1.68 2glfB1 ASP 252 HB3 -0.55 0.59 0.31 -0.04 2.70 3.01 2glfB1 ARG 253 H 0.04 0.46 -0.46 -0.55 8.46 7.95 2glfB1 ARG 253 HA 0.19 0.07 0.49 -0.75 4.34 4.34 2glfB1 ARG 253 HB2 0.14 0.04 -0.04 -0.04 1.90 2.00 2glfB1 ARG 253 HB3 0.22 0.01 0.04 -0.04 1.80 2.03 2glfB1 ARG 253 HG2 0.03 -0.08 -0.10 -0.04 1.67 1.48 2glfB1 ARG 253 HG3 -0.03 0.15 -0.02 -0.04 1.67 1.73 2glfB1 ARG 253 HD2 -0.02 0.12 -0.05 -0.04 3.22 3.24 2glfB1 ARG 253 HD3 0.09 -0.14 -0.02 -0.04 3.22 3.11 2glfB1 ILE 254 H 0.14 0.26 -0.12 -0.55 8.25 7.98 2glfB1 ILE 254 HA 0.19 0.16 0.40 -0.75 4.18 4.18 2glfB1 ILE 254 HB 0.18 0.06 0.11 -0.04 1.89 2.20 2glfB1 ILE 254 HG12 -0.17 -0.02 -0.11 -0.04 1.49 1.15 2glfB1 ILE 254 HG13 -0.72 0.07 0.02 -0.04 1.21 0.54 2glfB1 ILE 254 HG23 0.05 -0.02 -0.00 -0.04 0.93 0.91 2glfB1 ILE 254 HD13 -0.02 -0.01 -0.09 -0.04 0.88 0.72 2glfB1 CYS 255 H 0.07 -0.02 -0.14 -0.55 8.50 7.87 2glfB1 CYS 255 HA 0.16 0.13 0.45 -0.75 4.58 4.57 2glfB1 CYS 255 HB2 0.05 -0.08 0.23 -0.04 2.97 3.13 2glfB1 CYS 255 HB3 0.08 0.01 0.01 -0.04 2.97 3.03 2glfB1 ALA 256 H 0.13 0.62 -0.23 -0.55 8.40 8.38 2glfB1 ALA 256 HA 0.14 -0.00 0.35 -0.75 4.34 4.07 2glfB1 ALA 256 HB3 0.37 0.03 0.04 -0.04 1.41 1.81 2glfB1 TYR 257 H 0.23 0.46 -0.30 -0.55 8.29 8.13 2glfB1 TYR 257 HA -0.32 0.05 0.41 -0.75 4.56 3.95 2glfB1 TYR 257 HB2 -0.17 0.13 0.14 -0.04 3.06 3.12 2glfB1 TYR 257 HB3 -0.07 0.00 0.16 -0.04 2.98 3.04 2glfB1 TYR 257 HD2 -1.07 -0.02 -0.06 -0.04 7.15 5.97 2glfB1 TYR 257 HE2 -0.67 0.03 -0.09 -0.04 6.85 6.07 2glfB1 THR 258 H 0.11 0.50 -0.06 -0.55 8.28 8.27 2glfB1 THR 258 HA 0.08 0.04 0.40 -0.75 4.39 4.15 2glfB1 THR 258 HB 0.09 -0.07 -0.07 -0.04 4.32 4.23 2glfB1 THR 258 HG23 0.16 0.02 0.10 -0.04 1.22 1.46 2glfB1 ALA 259 H 0.13 0.46 -0.40 -0.55 8.40 8.05 2glfB1 ALA 259 HA 0.16 0.05 0.39 -0.75 4.34 4.19 2glfB1 ALA 259 HB3 -0.19 0.01 0.03 -0.04 1.41 1.22 2glfB1 LEU 260 H -0.00 0.47 -0.24 -0.55 8.37 8.05 2glfB1 LEU 260 HA 0.04 0.01 0.37 -0.75 4.35 4.03 2glfB1 LEU 260 HB2 -0.01 0.22 0.21 -0.04 1.64 2.01 2glfB1 LEU 260 HB3 -0.33 0.06 0.15 -0.04 1.64 1.48 2glfB1 LEU 260 HG -0.10 -0.05 -0.01 -0.04 1.64 1.43 2glfB1 LEU 260 HD13 -0.24 -0.01 -0.04 -0.04 0.93 0.60 2glfB1 LEU 260 HD23 -0.15 -0.00 -0.14 -0.04 0.89 0.56 2glfB1 ARG 261 H -0.31 0.63 -0.03 -0.55 8.46 8.20 2glfB1 ARG 261 HA -0.13 0.02 0.38 -0.75 4.34 3.86 2glfB1 ARG 261 HB2 -0.24 0.06 0.10 -0.04 1.90 1.78 2glfB1 ARG 261 HB3 -0.25 -0.04 -0.02 -0.04 1.80 1.45 2glfB1 ARG 261 HG2 -1.02 0.06 0.02 -0.04 1.67 0.69 2glfB1 ARG 261 HG3 -0.79 -0.04 -0.05 -0.04 1.67 0.75 2glfB1 ARG 261 HD2 -0.19 0.01 -0.01 -0.04 3.22 2.98 2glfB1 ARG 261 HD3 -0.24 0.00 -0.06 -0.04 3.22 2.89 2glfB1 ALA 262 H 0.12 0.38 -0.50 -0.55 8.40 7.85 2glfB1 ALA 262 HA 0.26 0.00 0.42 -0.75 4.34 4.27 2glfB1 ALA 262 HB3 0.12 0.03 0.06 -0.04 1.41 1.58 2glfB1 LEU 263 H 0.04 0.37 -0.32 -0.55 8.37 7.90 2glfB1 LEU 263 HA 0.04 0.05 0.41 -0.75 4.35 4.09 2glfB1 LEU 263 HB2 0.00 -0.05 0.04 -0.04 1.64 1.58 2glfB1 LEU 263 HB3 0.02 0.17 0.18 -0.04 1.64 1.98 2glfB1 LEU 263 HG 0.18 0.06 -0.33 -0.04 1.64 1.51 2glfB1 LEU 263 HD13 0.09 -0.03 -0.11 -0.04 0.93 0.84 2glfB1 LEU 263 HD23 0.01 -0.04 -0.09 -0.04 0.89 0.73 2glfB1 LEU 264 H 0.05 0.29 -0.19 -0.55 8.37 7.98 2glfB1 LEU 264 HA 0.16 0.11 0.47 -0.75 4.35 4.34 2glfB1 LEU 264 HB2 0.05 0.01 0.10 -0.04 1.64 1.75 2glfB1 LEU 264 HB3 0.09 -0.02 -0.00 -0.04 1.64 1.67 2glfB1 LEU 264 HG -0.01 0.14 -0.03 -0.04 1.64 1.70 2glfB1 LEU 264 HD13 -0.02 -0.03 -0.09 -0.04 0.93 0.74 2glfB1 LEU 264 HD23 0.14 -0.00 -0.08 -0.04 0.89 0.91 2glfB1 SER 265 H 0.10 0.37 -0.10 -0.55 8.46 8.29 2glfB1 SER 265 HA 0.07 0.14 0.67 -0.75 4.49 4.62 2glfB1 SER 265 HB2 0.10 -0.09 0.10 -0.04 3.95 4.02 2glfB1 SER 265 HB3 0.12 -0.08 0.04 -0.04 3.93 3.96 2glfB1 ALA 266 H 0.05 0.21 -0.48 -0.55 8.40 7.63 2glfB1 ALA 266 HA -0.01 -0.02 0.50 -0.75 4.34 4.05 2glfB1 ALA 266 HB3 0.01 0.05 0.08 -0.04 1.41 1.51 2glfB1 ASN 267 H -0.01 0.16 0.07 -0.55 8.53 8.20 2glfB1 ASN 267 HA 0.01 0.17 0.79 -0.75 4.76 4.97 2glfB1 ASN 267 HB2 -0.01 -0.05 0.22 -0.04 2.88 3.00 2glfB1 ASN 267 HB3 -0.00 -0.03 0.11 -0.04 2.79 2.83 2glfB1 ASN 267 HD21 0.01 -0.03 -0.02 -0.04 7.03 6.95 2glfB1 ASN 267 HD22 -0.01 -0.05 0.03 -0.04 7.74 7.67 2glfB1 PRO 268 HA -0.00 0.09 0.56 -0.51 4.44 4.58 2glfB1 PRO 268 HB2 0.01 0.14 0.00 -0.04 2.28 2.39 2glfB1 PRO 268 HB3 0.01 0.04 0.08 -0.04 2.02 2.11 2glfB1 PRO 268 HG2 0.00 -0.04 -0.02 -0.04 2.03 1.93 2glfB1 PRO 268 HG3 0.02 0.05 0.01 -0.04 2.03 2.07 2glfB1 PRO 268 HD2 0.01 0.10 0.16 -0.04 3.68 3.91 2glfB1 PRO 268 HD3 0.02 0.22 -0.30 -0.04 3.65 3.55 2glfB1 GLU 269 H -0.00 0.10 0.25 -0.55 8.60 8.41 2glfB1 GLU 269 HA -0.00 0.11 0.79 -0.75 4.29 4.43 2glfB1 GLU 269 HB2 -0.01 0.07 0.07 -0.04 2.09 2.18 2glfB1 GLU 269 HB3 -0.01 -0.11 0.10 -0.04 1.99 1.93 2glfB1 GLU 269 HG2 -0.01 -0.07 0.00 -0.04 2.34 2.22 2glfB1 GLU 269 HG3 -0.01 0.12 -0.02 -0.04 2.34 2.40 2glfB1 LYS 270 H 0.00 0.14 0.20 -0.55 8.42 8.20 2glfB1 LYS 270 HA -0.00 0.09 0.57 -0.75 4.32 4.22 2glfB1 LYS 270 HB2 0.00 0.04 0.08 -0.04 1.87 1.95 2glfB1 LYS 270 HB3 -0.00 0.01 -0.13 -0.04 1.79 1.63 2glfB1 LYS 270 HG2 0.00 -0.06 -0.05 -0.04 1.46 1.31 2glfB1 LYS 270 HG3 0.01 0.17 -0.21 -0.04 1.46 1.39 2glfB1 LYS 270 HD2 0.00 -0.01 -0.10 -0.04 1.69 1.54 2glfB1 LYS 270 HD3 0.01 -0.03 -0.13 -0.04 1.68 1.49 2glfB1 LYS 270 HE2 0.01 -0.08 -0.44 -0.04 2.99 2.43 2glfB1 LYS 270 HE3 0.00 0.03 -0.12 -0.04 2.99 2.86 2glfB1 SER 271 H 0.00 0.09 0.08 -0.55 8.46 8.08 2glfB1 SER 271 HA 0.02 0.23 0.55 -0.75 4.49 4.53 2glfB1 SER 271 HB2 0.00 0.09 0.02 -0.04 3.95 4.02 2glfB1 SER 271 HB3 0.03 0.03 -0.03 -0.04 3.93 3.92 2glfB1 ILE 272 H 0.07 0.33 0.31 -0.55 8.25 8.41 2glfB1 ILE 272 HA 0.05 0.12 0.94 -0.75 4.18 4.54 2glfB1 ILE 272 HB 0.02 0.05 0.17 -0.04 1.89 2.09 2glfB1 ILE 272 HG12 0.05 0.01 0.13 -0.04 1.49 1.63 2glfB1 ILE 272 HG13 0.07 -0.10 -0.18 -0.04 1.21 0.96 2glfB1 ILE 272 HG23 0.02 0.06 -0.11 -0.04 0.93 0.86 2glfB1 ILE 272 HD13 0.03 0.03 -0.02 -0.04 0.88 0.89 2glfB1 GLY 273 H 0.01 0.59 0.40 -0.55 8.43 8.88 2glfB1 GLY 273 HA2 -0.02 0.20 0.67 -0.51 4.01 4.35 2glfB1 GLY 273 HA3 0.00 -0.07 0.32 -0.51 4.01 3.74 2glfB1 VAL 274 H -0.26 0.64 0.36 -0.55 8.24 8.44 2glfB1 VAL 274 HA -0.34 0.32 1.09 -0.75 4.13 4.45 2glfB1 VAL 274 HB -0.16 -0.02 0.11 -0.04 2.12 2.01 2glfB1 VAL 274 HG13 -0.91 0.00 -0.09 -0.04 0.97 -0.07 2glfB1 VAL 274 HG23 -0.13 0.03 -0.20 -0.04 0.95 0.60 2glfB1 ILE 275 H -0.46 0.38 0.31 -0.55 8.25 7.92 2glfB1 ILE 275 HA -0.33 0.23 1.11 -0.75 4.18 4.43 2glfB1 ILE 275 HB -0.12 -0.07 0.06 -0.04 1.89 1.72 2glfB1 ILE 275 HG12 -0.28 0.05 -0.28 -0.04 1.49 0.94 2glfB1 ILE 275 HG13 -0.19 -0.01 -0.40 -0.04 1.21 0.57 2glfB1 ILE 275 HG23 -0.50 -0.02 -0.16 -0.04 0.93 0.21 2glfB1 ILE 275 HD13 0.25 -0.00 -0.17 -0.04 0.88 0.92 2glfB1 PHE 276 H 0.03 0.56 0.22 -0.55 8.34 8.60 2glfB1 PHE 276 HA -0.07 0.24 0.97 -0.75 4.62 5.00 2glfB1 PHE 276 HB2 -0.08 -0.10 0.18 -0.04 3.15 3.11 2glfB1 PHE 276 HB3 -0.02 0.01 -0.05 -0.04 3.06 2.97 2glfB1 PHE 276 HD2 -0.07 0.23 0.03 -0.04 7.28 7.43 2glfB1 PHE 276 HE2 -0.11 0.13 -0.05 -0.04 7.38 7.30 2glfB1 PHE 276 HZ -0.14 0.06 -0.07 -0.04 7.32 7.13 2glfB1 PHE 277 H 0.28 0.62 0.45 -0.55 8.34 9.13 2glfB1 PHE 277 HA 0.18 0.23 1.01 -0.75 4.62 5.28 2glfB1 PHE 277 HB2 0.18 -0.06 0.08 -0.04 3.15 3.31 2glfB1 PHE 277 HB3 0.13 -0.01 0.04 -0.04 3.06 3.19 2glfB1 PHE 277 HD2 0.16 0.16 -0.23 -0.04 7.28 7.33 2glfB1 PHE 277 HE2 0.20 -0.03 -0.12 -0.04 7.38 7.38 2glfB1 PHE 277 HZ 0.07 0.01 -0.13 -0.04 7.32 7.23 2glfB1 ASP 278 H 0.29 0.64 0.24 -0.55 8.40 9.02 2glfB1 ASP 278 HA 0.18 0.07 0.72 -0.75 4.63 4.85 2glfB1 ASP 278 HB2 0.09 0.37 -0.01 -0.04 2.71 3.11 2glfB1 ASP 278 HB3 0.10 -0.04 -0.12 -0.04 2.70 2.61 2glfB1 LYS 279 H 0.14 0.22 0.08 -0.55 8.42 8.30 2glfB1 LYS 279 HA 0.23 0.07 0.28 -0.75 4.32 4.15 2glfB1 LYS 279 HB2 0.07 -0.07 -0.60 -0.04 1.87 1.23 2glfB1 LYS 279 HB3 0.04 -0.11 0.07 -0.04 1.79 1.75 2glfB1 LYS 279 HG2 0.04 0.18 0.05 -0.04 1.46 1.69 2glfB1 LYS 279 HG3 0.09 -0.02 0.05 -0.04 1.46 1.54 2glfB1 LYS 279 HD2 0.12 -0.06 0.07 -0.04 1.69 1.78 2glfB1 LYS 279 HD3 0.05 -0.06 -0.03 -0.04 1.68 1.60 2glfB1 LYS 279 HE2 0.02 -0.00 -0.00 -0.04 2.99 2.97 2glfB1 LYS 279 HE3 0.10 0.02 -0.00 -0.04 2.99 3.07 2glfB1 GLU 280 H 0.13 0.13 -0.60 -0.55 8.60 7.71 2glfB1 GLU 280 HA 0.02 0.04 0.56 -0.75 4.29 4.16 2glfB1 GLU 280 HB2 -0.00 0.00 0.04 -0.04 2.09 2.09 2glfB1 GLU 280 HB3 0.03 0.02 -0.01 -0.04 1.99 2.00 2glfB1 GLU 280 HG2 -2.03 0.04 -0.05 -0.04 2.34 0.26 2glfB1 GLU 280 HG3 -0.49 0.03 -0.33 -0.04 2.34 1.51 2glfB1 GLU 281 H 0.04 0.08 -0.18 -0.55 8.60 8.00 2glfB1 GLU 281 HA -0.06 0.19 0.41 -0.75 4.29 4.07 2glfB1 GLU 281 HB2 -0.18 -0.02 -0.16 -0.04 2.09 1.69 2glfB1 GLU 281 HB3 -0.20 -0.04 0.07 -0.04 1.99 1.78 2glfB1 GLU 281 HG2 0.05 -0.06 -0.14 -0.04 2.34 2.14 2glfB1 GLU 281 HG3 0.15 0.02 -0.31 -0.04 2.34 2.16 2glfB1 ILE 282 H -0.04 0.06 -0.76 -0.55 8.25 6.95 2glfB1 ILE 282 HA -0.11 0.26 0.90 -0.75 4.18 4.48 2glfB1 ILE 282 HB -0.07 0.05 0.15 -0.04 1.89 1.98 2glfB1 ILE 282 HG12 0.13 0.02 -0.04 -0.04 1.49 1.56 2glfB1 ILE 282 HG13 0.05 -0.12 -0.12 -0.04 1.21 0.97 2glfB1 ILE 282 HG23 -0.44 -0.01 -0.16 -0.04 0.93 0.28 2glfB1 ILE 282 HD13 0.02 0.03 -0.22 -0.04 0.88 0.66 2glfB1 GLY 283 H 0.00 0.32 -0.06 -0.55 8.43 8.15 2glfB1 GLY 283 HA2 0.08 0.08 0.28 -0.51 4.01 3.94 2glfB1 GLY 283 HA3 0.03 0.20 0.85 -0.51 4.01 4.59 2glfB1 SER 284 H 0.00 0.37 0.28 -0.55 8.46 8.57 2glfB1 SER 284 HA -0.04 0.06 0.14 -0.75 4.49 3.90 2glfB1 SER 284 HB2 -0.55 0.26 -0.02 -0.04 3.95 3.61 2glfB1 SER 284 HB3 -0.38 -0.38 0.18 -0.04 3.93 3.32 2glfB1 ASP 285 H -0.03 0.11 -0.21 -0.55 8.40 7.73 2glfB1 ASP 285 HA -0.08 0.17 0.68 -0.75 4.63 4.65 2glfB1 ASP 285 HB2 -0.02 -0.01 -0.03 -0.04 2.71 2.61 2glfB1 ASP 285 HB3 -0.02 -0.03 -0.01 -0.04 2.70 2.60 2glfB1 GLY 286 H -0.03 0.17 0.09 -0.55 8.43 8.11 2glfB1 GLY 286 HA2 -0.01 0.07 0.31 -0.51 4.01 3.87 2glfB1 GLY 286 HA3 -0.00 0.17 0.79 -0.51 4.01 4.46 2glfB1 ASN 287 H -0.00 0.18 0.13 -0.55 8.53 8.28 2glfB1 ASN 287 HA 0.02 0.16 0.45 -0.75 4.76 4.63 2glfB1 ASN 287 HB2 -0.02 -0.04 0.09 -0.04 2.88 2.87 2glfB1 ASN 287 HB3 -0.02 0.06 -0.02 -0.04 2.79 2.77 2glfB1 ASN 287 HD21 -0.01 0.03 0.02 -0.04 7.03 7.02 2glfB1 ASN 287 HD22 -0.02 0.03 0.02 -0.04 7.74 7.72 2glfB1 THR 288 H 0.02 0.07 -0.20 -0.55 8.28 7.62 2glfB1 THR 288 HA 0.02 0.24 0.73 -0.75 4.39 4.62 2glfB1 THR 288 HB 0.03 0.02 -0.03 -0.04 4.32 4.30 2glfB1 THR 288 HG23 -0.05 -0.00 -0.10 -0.04 1.22 1.02 2glfB1 GLY 289 H 0.05 0.24 -0.63 -0.55 8.43 7.55 2glfB1 GLY 289 HA2 0.11 0.24 0.26 -0.51 4.01 4.11 2glfB1 GLY 289 HA3 -0.03 0.15 -0.03 -0.51 4.01 3.59 2glfB1 ALA 290 H -0.22 0.18 0.10 -0.55 8.40 7.91 2glfB1 ALA 290 HA -1.52 0.11 0.38 -0.75 4.34 2.55 2glfB1 ALA 290 HB3 -0.38 0.02 0.06 -0.04 1.41 1.07 2glfB1 LYS 291 H -0.34 0.13 -0.45 -0.55 8.42 7.20 2glfB1 LYS 291 HA -0.27 0.25 0.90 -0.75 4.32 4.45 2glfB1 LYS 291 HB2 -0.25 0.00 0.18 -0.04 1.87 1.76 2glfB1 LYS 291 HB3 -0.76 0.01 -0.07 -0.04 1.79 0.92 2glfB1 LYS 291 HG2 -0.62 0.09 0.06 -0.04 1.46 0.95 2glfB1 LYS 291 HG3 -0.27 -0.04 -0.07 -0.04 1.46 1.04 2glfB1 LYS 291 HD2 -0.23 -0.04 0.00 -0.04 1.69 1.38 2glfB1 LYS 291 HD3 -1.12 -0.03 -0.03 -0.04 1.68 0.46 2glfB1 LYS 291 HE2 -0.27 0.19 -0.17 -0.04 2.99 2.70 2glfB1 LYS 291 HE3 -0.15 -0.11 -0.05 -0.04 2.99 2.64 2glfB1 ALA 292 H -0.02 0.34 -0.35 -0.55 8.40 7.82 2glfB1 ALA 292 HA -0.01 0.21 0.65 -0.75 4.34 4.44 2glfB1 ALA 292 HB3 0.07 0.10 0.10 -0.04 1.41 1.64 2glfB1 ARG 293 H 0.04 0.25 -0.45 -0.55 8.46 7.75 2glfB1 ARG 293 HA 0.06 0.01 0.28 -0.75 4.34 3.93 2glfB1 ARG 293 HB2 0.04 0.01 -0.13 -0.04 1.90 1.78 2glfB1 ARG 293 HB3 0.07 0.28 -0.23 -0.04 1.80 1.88 2glfB1 ARG 293 HG2 0.07 0.04 -0.14 -0.04 1.67 1.61 2glfB1 ARG 293 HG3 0.05 -0.11 0.04 -0.04 1.67 1.61 2glfB1 ARG 293 HD2 0.02 0.00 -0.04 -0.04 3.22 3.17 2glfB1 ARG 293 HD3 0.03 0.02 -0.05 -0.04 3.22 3.17 2glfB1 PHE 294 H 0.30 0.43 -0.87 -0.55 8.34 7.64 2glfB1 PHE 294 HA 0.10 0.07 0.35 -0.75 4.62 4.38 2glfB1 PHE 294 HB2 0.11 0.14 0.08 -0.04 3.15 3.45 2glfB1 PHE 294 HB3 0.21 -0.04 -0.03 -0.04 3.06 3.16 2glfB1 PHE 294 HD2 0.15 0.01 -0.10 -0.04 7.28 7.30 2glfB1 PHE 294 HE2 0.04 0.01 -0.23 -0.04 7.38 7.16 2glfB1 PHE 294 HZ 0.09 0.26 -0.07 -0.04 7.32 7.56 2glfB1 TYR 295 H 0.34 0.09 -0.34 -0.55 8.29 7.83 2glfB1 TYR 295 HA -0.18 0.09 0.27 -0.75 4.56 3.98 2glfB1 TYR 295 HB2 0.31 0.03 -0.05 -0.04 3.06 3.31 2glfB1 TYR 295 HB3 0.03 -0.07 -0.07 -0.04 2.98 2.84 2glfB1 TYR 295 HD2 0.03 -0.03 -0.10 -0.04 7.15 7.01 2glfB1 TYR 295 HE2 0.14 0.06 -0.13 -0.04 6.85 6.87 2glfB1 LEU 296 H -0.04 0.11 -0.25 -0.55 8.37 7.65 2glfB1 LEU 296 HA -0.42 0.12 0.45 -0.75 4.35 3.73 2glfB1 LEU 296 HB2 -0.08 0.03 0.01 -0.04 1.64 1.57 2glfB1 LEU 296 HB3 -0.14 -0.00 -0.00 -0.04 1.64 1.45 2glfB1 LEU 296 HG -0.16 -0.07 -0.05 -0.04 1.64 1.33 2glfB1 LEU 296 HD13 -0.05 0.01 -0.03 -0.04 0.93 0.83 2glfB1 LEU 296 HD23 -0.41 0.03 -0.08 -0.04 0.89 0.39 2glfB1 LYS 297 H -0.03 0.43 -0.31 -0.55 8.42 7.97 2glfB1 LYS 297 HA -0.02 -0.01 0.37 -0.75 4.32 3.90 2glfB1 LYS 297 HB2 0.06 0.04 0.05 -0.04 1.87 1.98 2glfB1 LYS 297 HB3 0.09 0.16 0.10 -0.04 1.79 2.10 2glfB1 LYS 297 HG2 0.05 -0.01 -0.14 -0.04 1.46 1.33 2glfB1 LYS 297 HG3 0.05 -0.04 0.01 -0.04 1.46 1.43 2glfB1 LYS 297 HD2 0.12 -0.03 -0.05 -0.04 1.69 1.69 2glfB1 LYS 297 HD3 0.22 0.03 -0.06 -0.04 1.68 1.83 2glfB1 LYS 297 HE2 0.09 0.01 -0.05 -0.04 2.99 2.99 2glfB1 LYS 297 HE3 0.07 -0.03 -0.03 -0.04 2.99 2.96 2glfB1 ALA 298 H -0.12 0.44 -0.30 -0.55 8.40 7.87 2glfB1 ALA 298 HA -0.03 0.05 0.42 -0.75 4.34 4.02 2glfB1 ALA 298 HB3 -0.03 0.04 0.01 -0.04 1.41 1.39 2glfB1 LEU 299 H -0.19 0.31 -0.17 -0.55 8.37 7.77 2glfB1 LEU 299 HA -0.31 0.07 0.34 -0.75 4.35 3.70 2glfB1 LEU 299 HB2 -0.24 0.03 0.09 -0.04 1.64 1.48 2glfB1 LEU 299 HB3 -0.20 -0.01 -0.05 -0.04 1.64 1.35 2glfB1 LEU 299 HG -0.33 0.19 0.01 -0.04 1.64 1.46 2glfB1 LEU 299 HD13 -0.25 -0.00 -0.13 -0.04 0.93 0.51 2glfB1 LEU 299 HD23 -0.19 -0.01 -0.15 -0.04 0.89 0.50 2glfB1 ARG 300 H -0.12 0.69 -0.16 -0.55 8.46 8.31 2glfB1 ARG 300 HA -0.08 -0.03 0.34 -0.75 4.34 3.82 2glfB1 ARG 300 HB2 -0.06 0.14 0.12 -0.04 1.90 2.06 2glfB1 ARG 300 HB3 -0.04 -0.02 -0.09 -0.04 1.80 1.61 2glfB1 ARG 300 HG2 -0.05 -0.09 -0.07 -0.04 1.67 1.42 2glfB1 ARG 300 HG3 -0.07 0.07 -0.05 -0.04 1.67 1.57 2glfB1 ARG 300 HD2 -0.02 -0.01 -0.06 -0.04 3.22 3.09 2glfB1 ARG 300 HD3 -0.02 -0.11 -0.11 -0.04 3.22 2.93 2glfB1 GLN 301 H -0.06 0.48 -0.29 -0.55 8.47 8.05 2glfB1 GLN 301 HA -0.02 -0.04 0.34 -0.75 4.36 3.89 2glfB1 GLN 301 HB2 -0.01 0.03 0.13 -0.04 2.15 2.27 2glfB1 GLN 301 HB3 -0.05 0.14 0.15 -0.04 2.02 2.22 2glfB1 GLN 301 HG2 0.02 -0.07 -0.07 -0.04 2.40 2.24 2glfB1 GLN 301 HG3 -0.01 0.07 -0.22 -0.04 2.39 2.19 2glfB1 GLN 301 HE21 0.02 -0.04 0.01 -0.04 6.97 6.92 2glfB1 GLN 301 HE22 0.02 0.09 -0.08 -0.04 7.69 7.67 2glfB1 ILE 302 H -0.14 0.45 -0.20 -0.55 8.25 7.82 2glfB1 ILE 302 HA -0.09 0.07 0.34 -0.75 4.18 3.74 2glfB1 ILE 302 HB -0.24 0.04 0.11 -0.04 1.89 1.75 2glfB1 ILE 302 HG12 -0.20 0.00 -0.02 -0.04 1.49 1.23 2glfB1 ILE 302 HG13 -0.24 0.16 0.05 -0.04 1.21 1.14 2glfB1 ILE 302 HG23 -0.18 -0.01 -0.07 -0.04 0.93 0.63 2glfB1 ILE 302 HD13 -0.61 -0.04 -0.10 -0.04 0.88 0.09 2glfB1 LEU 303 H -0.10 0.48 -0.17 -0.55 8.37 8.03 2glfB1 LEU 303 HA -0.07 -0.03 0.41 -0.75 4.35 3.91 2glfB1 LEU 303 HB2 -0.06 0.10 0.18 -0.04 1.64 1.81 2glfB1 LEU 303 HB3 -0.05 -0.18 -0.07 -0.04 1.64 1.30 2glfB1 LEU 303 HG -0.10 0.17 -0.06 -0.04 1.64 1.60 2glfB1 LEU 303 HD13 -0.07 -0.05 -0.13 -0.04 0.93 0.63 2glfB1 LEU 303 HD23 -0.07 -0.02 -0.11 -0.04 0.89 0.65 2glfB1 LYS 304 H -0.04 0.70 -0.11 -0.55 8.42 8.42 2glfB1 LYS 304 HA -0.01 -0.05 0.23 -0.75 4.32 3.74 2glfB1 LYS 304 HB2 -0.02 0.08 0.11 -0.04 1.87 2.00 2glfB1 LYS 304 HB3 -0.01 0.09 0.15 -0.04 1.79 1.99 2glfB1 LYS 304 HG2 -0.00 -0.08 0.03 -0.04 1.46 1.37 2glfB1 LYS 304 HG3 -0.00 -0.00 0.09 -0.04 1.46 1.51 2glfB1 LYS 304 HD2 -0.00 0.08 -0.03 -0.04 1.69 1.70 2glfB1 LYS 304 HD3 -0.01 -0.13 -0.04 -0.04 1.68 1.46 2glfB1 LYS 304 HE2 0.00 -0.10 0.02 -0.04 2.99 2.87 2glfB1 LYS 304 HE3 0.00 0.03 0.05 -0.04 2.99 3.03 2glfB1 GLN 306 HA 0.00 -0.08 0.33 -0.75 4.36 3.86 2glfB1 GLN 306 HB2 -0.03 0.00 0.20 -0.04 2.15 2.28 2glfB1 GLN 306 HB3 -0.02 -0.18 0.18 -0.04 2.02 1.96 2glfB1 GLN 306 HG2 -0.02 0.06 0.15 -0.04 2.40 2.55 2glfB1 GLN 306 HG3 -0.04 0.25 0.19 -0.04 2.39 2.75 2glfB1 GLN 306 HE21 -0.06 -0.09 0.22 -0.04 6.97 7.00 2glfB1 GLN 306 HE22 -0.06 0.47 0.12 -0.04 7.69 8.18 2glfB1 GLY 307 H -0.00 0.45 -1.08 -0.55 8.43 7.25 2glfB1 GLY 307 HA2 0.00 -0.02 0.28 -0.51 4.01 3.77 2glfB1 GLY 307 HA3 0.00 0.08 0.79 -0.51 4.01 4.38 2glfB1 ALA 308 H -0.01 0.64 -0.24 -0.55 8.40 8.25 2glfB1 ALA 308 HA 0.00 -0.08 0.25 -0.75 4.34 3.75 2glfB1 ALA 308 HB3 -0.01 -0.02 -0.30 -0.04 1.41 1.03 2glfB1 LYS 309 H 0.03 0.02 0.14 -0.55 8.42 8.05 2glfB1 LYS 309 HA 0.01 0.22 0.70 -0.75 4.32 4.50 2glfB1 LYS 309 HB2 0.02 -0.05 -0.01 -0.04 1.87 1.79 2glfB1 LYS 309 HB3 0.02 0.08 0.08 -0.04 1.79 1.93 2glfB1 LYS 309 HG2 0.07 -0.23 0.16 -0.04 1.46 1.42 2glfB1 LYS 309 HG3 0.04 -0.00 0.06 -0.04 1.46 1.51 2glfB1 LYS 309 HD2 0.02 0.07 0.07 -0.04 1.69 1.80 2glfB1 LYS 309 HD3 0.02 0.03 0.26 -0.04 1.68 1.95 2glfB1 LYS 309 HE2 0.04 -0.04 0.02 -0.04 2.99 2.97 2glfB1 LYS 309 HE3 0.02 0.11 -0.02 -0.04 2.99 3.06 2glfB1 ASP 310 H 0.08 0.12 0.02 -0.55 8.40 8.07 2glfB1 ASP 310 HA 0.04 0.21 0.80 -0.75 4.63 4.92 2glfB1 ASP 310 HB2 0.04 0.08 0.05 -0.04 2.71 2.84 2glfB1 ASP 310 HB3 0.19 -0.05 0.22 -0.04 2.70 3.03 2glfB1 SER 311 H 0.02 0.35 -0.14 -0.55 8.46 8.14 2glfB1 SER 311 HA -0.00 0.08 0.21 -0.75 4.49 4.03 2glfB1 SER 311 HB2 0.00 -0.09 0.08 -0.04 3.95 3.90 2glfB1 SER 311 HB3 -0.02 0.05 -0.06 -0.04 3.93 3.86 2glfB1 GLU 312 H 0.03 0.11 -0.12 -0.55 8.60 8.07 2glfB1 GLU 312 HA -0.00 0.12 0.35 -0.75 4.29 4.00 2glfB1 GLU 312 HB2 0.02 -0.02 0.07 -0.04 2.09 2.13 2glfB1 GLU 312 HB3 0.05 0.00 -0.04 -0.04 1.99 1.97 2glfB1 GLU 312 HG2 0.02 0.01 -0.02 -0.04 2.34 2.30 2glfB1 GLU 312 HG3 0.02 0.05 -0.04 -0.04 2.34 2.33 2glfB1 PHE 313 H 0.17 0.07 -0.30 -0.55 8.34 7.73 2glfB1 PHE 313 HA -0.02 0.09 0.44 -0.75 4.62 4.38 2glfB1 PHE 313 HB2 -0.01 -0.04 0.08 -0.04 3.15 3.14 2glfB1 PHE 313 HB3 -0.02 0.06 0.16 -0.04 3.06 3.22 2glfB1 PHE 313 HD2 -0.01 -0.02 0.00 -0.04 7.28 7.21 2glfB1 PHE 313 HE2 -0.01 0.01 -0.03 -0.04 7.38 7.31 2glfB1 PHE 313 HZ -0.01 0.01 -0.03 -0.04 7.32 7.25 2glfB1 VAL 314 H 0.04 0.49 0.01 -0.55 8.24 8.24 2glfB1 VAL 314 HA -0.36 0.03 0.40 -0.75 4.13 3.45 2glfB1 VAL 314 HB -0.04 0.08 0.05 -0.04 2.12 2.17 2glfB1 VAL 314 HG13 -0.08 0.01 -0.18 -0.04 0.97 0.68 2glfB1 VAL 314 HG23 0.03 -0.01 0.02 -0.04 0.95 0.95 2glfB1 LEU 315 H -0.07 0.63 -0.19 -0.55 8.37 8.19 2glfB1 LEU 315 HA -0.10 -0.01 0.30 -0.75 4.35 3.79 2glfB1 LEU 315 HB2 -0.06 0.21 0.10 -0.04 1.64 1.85 2glfB1 LEU 315 HB3 -0.06 0.08 -0.04 -0.04 1.64 1.57 2glfB1 LEU 315 HG -0.10 -0.03 -0.08 -0.04 1.64 1.39 2glfB1 LEU 315 HD13 -0.10 -0.02 -0.07 -0.04 0.93 0.71 2glfB1 LEU 315 HD23 -0.12 0.00 -0.03 -0.04 0.89 0.70 2glfB1 ASP 316 H -0.12 0.36 -0.41 -0.55 8.40 7.68 2glfB1 ASP 316 HA -0.06 0.04 0.34 -0.75 4.63 4.19 2glfB1 ASP 316 HB2 -0.22 0.26 0.19 -0.04 2.71 2.90 2glfB1 ASP 316 HB3 -0.08 -0.06 0.02 -0.04 2.70 2.54 2glfB1 GLU 317 H -0.22 0.36 -0.23 -0.55 8.60 7.96 2glfB1 GLU 317 HA -0.10 0.06 0.62 -0.75 4.29 4.12 2glfB1 GLU 317 HB2 -0.22 -0.09 0.11 -0.04 2.09 1.85 2glfB1 GLU 317 HB3 -0.16 0.05 0.14 -0.04 1.99 1.98 2glfB1 GLU 317 HG2 -0.07 0.16 -0.03 -0.04 2.34 2.36 2glfB1 GLU 317 HG3 -0.08 -0.06 0.06 -0.04 2.34 2.21 2glfB1 VAL 318 H -0.11 0.33 0.02 -0.55 8.24 7.93 2glfB1 VAL 318 HA -0.06 0.12 0.38 -0.75 4.13 3.81 2glfB1 VAL 318 HB -0.09 0.02 0.13 -0.04 2.12 2.14 2glfB1 VAL 318 HG13 -0.07 0.02 -0.18 -0.04 0.97 0.70 2glfB1 VAL 318 HG23 -0.09 0.01 -0.29 -0.04 0.95 0.55 2glfB1 LEU 319 H -0.06 0.54 -0.20 -0.55 8.37 8.11 2glfB1 LEU 319 HA 0.01 0.03 0.43 -0.75 4.35 4.07 2glfB1 LEU 319 HB2 -0.02 0.06 0.02 -0.04 1.64 1.66 2glfB1 LEU 319 HB3 0.02 -0.02 -0.08 -0.04 1.64 1.53 2glfB1 LEU 319 HG -0.06 -0.09 -0.05 -0.04 1.64 1.40 2glfB1 LEU 319 HD13 -0.05 0.00 -0.05 -0.04 0.93 0.79 2glfB1 LEU 319 HD23 0.03 -0.03 -0.10 -0.04 0.89 0.75 2glfB1 GLU 320 H -0.05 0.10 -0.33 -0.55 8.60 7.78 2glfB1 GLU 320 HA -0.03 -0.00 0.47 -0.75 4.29 3.97 2glfB1 GLU 320 HB2 -0.05 0.15 0.30 -0.04 2.09 2.45 2glfB1 GLU 320 HB3 -0.05 0.03 0.22 -0.04 1.99 2.15 2glfB1 GLU 320 HG2 -0.04 -0.14 0.03 -0.04 2.34 2.15 2glfB1 GLU 320 HG3 -0.03 -0.03 -0.06 -0.04 2.34 2.17 2glfB1 ASN 321 H -0.03 0.45 -0.13 -0.55 8.53 8.28 2glfB1 ASN 321 HA -0.01 -0.05 0.50 -0.75 4.76 4.44 2glfB1 ASN 321 HB2 -0.02 0.08 -0.20 -0.04 2.88 2.71 2glfB1 ASN 321 HB3 -0.01 -0.02 0.02 -0.04 2.79 2.73 2glfB1 ASN 321 HD21 -0.04 -0.24 0.01 -0.04 7.03 6.72 2glfB1 ASN 321 HD22 -0.04 0.25 -0.05 -0.04 7.74 7.86 2glfB1 THR 322 H 0.01 0.05 0.04 -0.55 8.28 7.83 2glfB1 THR 322 HA 0.03 0.30 0.56 -0.75 4.39 4.52 2glfB1 THR 322 HB 0.03 0.61 0.64 -0.04 4.32 5.55 2glfB1 THR 322 HG23 0.09 -0.04 -0.18 -0.04 1.22 1.04 2glfB1 SER 323 H 0.04 0.26 0.29 -0.55 8.46 8.50 2glfB1 SER 323 HA -0.07 0.15 0.93 -0.75 4.49 4.74 2glfB1 SER 323 HB2 0.13 0.00 0.16 -0.04 3.95 4.20 2glfB1 SER 323 HB3 0.42 -0.01 0.05 -0.04 3.93 4.35 2glfB1 VAL 324 H -0.11 0.81 0.36 -0.55 8.24 8.76 2glfB1 VAL 324 HA -0.05 0.33 1.23 -0.75 4.13 4.89 2glfB1 VAL 324 HB -0.08 -0.02 -0.02 -0.04 2.12 1.95 2glfB1 VAL 324 HG13 -0.38 -0.06 -0.34 -0.04 0.97 0.15 2glfB1 VAL 324 HG23 0.03 0.01 -0.28 -0.04 0.95 0.68 2glfB1 ILE 325 H -0.11 0.93 0.44 -0.55 8.25 8.96 2glfB1 ILE 325 HA 0.01 0.18 0.99 -0.75 4.18 4.60 2glfB1 ILE 325 HB -0.18 0.01 0.27 -0.04 1.89 1.94 2glfB1 ILE 325 HG12 -0.00 0.00 -0.03 -0.04 1.49 1.42 2glfB1 ILE 325 HG13 0.02 -0.03 -0.16 -0.04 1.21 1.00 2glfB1 ILE 325 HG23 -0.05 -0.00 -0.16 -0.04 0.93 0.68 2glfB1 ILE 325 HD13 -0.02 0.01 -0.04 -0.04 0.88 0.79 2glfB1 SER 326 H -0.06 0.44 0.24 -0.55 8.46 8.54 2glfB1 SER 326 HA -0.20 -0.01 0.68 -0.75 4.49 4.20 2glfB1 SER 326 HB2 -0.10 -0.08 0.01 -0.04 3.95 3.74 2glfB1 SER 326 HB3 -0.03 0.06 0.04 -0.04 3.93 3.96 2glfB1 GLY 327 H -0.13 0.89 0.40 -0.55 8.43 9.04 2glfB1 GLY 327 HA2 0.01 0.14 0.38 -0.51 4.01 4.03 2glfB1 GLY 327 HA3 -0.05 -0.15 0.41 -0.51 4.01 3.72 2glfB1 ASP 328 H 0.05 -0.05 0.20 -0.55 8.40 8.05 2glfB1 ASP 328 HA 0.07 -0.15 0.52 -0.75 4.63 4.31 2glfB1 ASP 328 HB2 0.12 -0.16 -0.25 -0.04 2.71 2.38 2glfB1 ASP 328 HB3 0.09 0.16 -0.01 -0.04 2.70 2.90 2glfB1 VAL 329 H 0.09 -0.06 0.17 -0.55 8.24 7.89 2glfB1 VAL 329 HA 0.05 0.27 0.55 -0.75 4.13 4.25 2glfB1 VAL 329 HB 0.05 0.14 0.13 -0.04 2.12 2.40 2glfB1 VAL 329 HG13 0.05 -0.05 0.01 -0.04 0.97 0.95 2glfB1 VAL 329 HG23 0.08 -0.04 -0.09 -0.04 0.95 0.87 2glfB1 CYS 330 H 0.04 0.47 0.19 -0.55 8.50 8.66 2glfB1 CYS 330 HA 0.04 0.15 0.74 -0.75 4.58 4.76 2glfB1 CYS 330 HB2 0.03 -0.11 0.02 -0.04 2.97 2.87 2glfB1 CYS 330 HB3 0.02 0.10 -0.18 -0.04 2.97 2.88 2glfB1 ALA 331 H 0.07 0.19 0.09 -0.55 8.40 8.20 2glfB1 ALA 331 HA 0.07 0.20 1.11 -0.75 4.34 4.96 2glfB1 ALA 331 HB3 0.15 0.01 0.02 -0.04 1.41 1.54 2glfB1 ALA 332 H 0.05 0.68 0.21 -0.55 8.40 8.80 2glfB1 ALA 332 HA -0.07 0.29 0.48 -0.75 4.34 4.28 2glfB1 ALA 332 HB3 0.02 -0.05 -0.17 -0.04 1.41 1.17 2glfB1 VAL 333 H -0.11 0.30 0.19 -0.55 8.24 8.08 2glfB1 VAL 333 HA -0.01 0.06 0.46 -0.75 4.13 3.88 2glfB1 VAL 333 HB 0.01 -0.05 -0.09 -0.04 2.12 1.94 2glfB1 VAL 333 HG13 -0.20 0.04 -0.07 -0.04 0.97 0.69 2glfB1 VAL 333 HG23 -0.04 0.01 0.07 -0.04 0.95 0.95 2glfB1 ASN 334 H 0.18 0.20 -0.00 -0.55 8.53 8.37 2glfB1 ASN 334 HA 0.10 0.16 0.62 -0.75 4.76 4.89 2glfB1 ASN 334 HB2 0.19 0.10 0.03 -0.04 2.88 3.16 2glfB1 ASN 334 HB3 0.33 -0.07 0.14 -0.04 2.79 3.15 2glfB1 ASN 334 HD21 0.27 0.04 -0.03 -0.04 7.03 7.27 2glfB1 ASN 334 HD22 0.21 -0.02 0.01 -0.04 7.74 7.90 2glfB1 PRO 335 HA 0.00 0.00 0.33 -0.51 4.44 4.26 2glfB1 PRO 335 HB2 -0.03 0.06 0.10 -0.04 2.28 2.36 2glfB1 PRO 335 HB3 -0.02 0.02 0.05 -0.04 2.02 2.03 2glfB1 PRO 335 HG2 0.01 0.05 0.06 -0.04 2.03 2.10 2glfB1 PRO 335 HG3 0.01 0.03 0.05 -0.04 2.03 2.07 2glfB1 PRO 335 HD2 0.03 0.10 0.13 -0.04 3.68 3.90 2glfB1 PRO 335 HD3 0.04 0.41 0.11 -0.04 3.65 4.16 2glfB1 PRO 336 HA -0.21 0.05 0.45 -0.51 4.44 4.22 2glfB1 PRO 336 HB2 -0.90 0.04 0.02 -0.04 2.28 1.40 2glfB1 PRO 336 HB3 -0.28 0.01 0.11 -0.04 2.02 1.82 2glfB1 PRO 336 HG2 -0.61 0.05 -0.09 -0.04 2.03 1.35 2glfB1 PRO 336 HG3 -0.21 0.05 -0.01 -0.04 2.03 1.83 2glfB1 PRO 336 HD2 -0.05 0.03 -0.26 -0.04 3.68 3.36 2glfB1 PRO 336 HD3 -0.10 0.11 0.06 -0.04 3.65 3.68 2glfB1 TYR 337 H -0.07 0.91 -0.32 -0.55 8.29 8.27 2glfB1 TYR 337 HA 0.04 0.16 0.96 -0.75 4.56 4.96 2glfB1 TYR 337 HB2 0.06 0.01 0.13 -0.04 3.06 3.22 2glfB1 TYR 337 HB3 0.04 -0.04 0.19 -0.04 2.98 3.13 2glfB1 TYR 337 HD2 0.05 0.01 -0.02 -0.04 7.15 7.14 2glfB1 TYR 337 HE2 0.05 0.00 -0.04 -0.04 6.85 6.82 2glfB1 LYS 338 H 0.04 0.56 -0.05 -0.55 8.42 8.42 2glfB1 LYS 338 HA 0.17 0.02 0.34 -0.75 4.32 4.09 2glfB1 LYS 338 HB2 0.06 -0.03 0.04 -0.04 1.87 1.89 2glfB1 LYS 338 HB3 0.05 -0.02 -0.02 -0.04 1.79 1.76 2glfB1 LYS 338 HG2 0.01 0.34 0.13 -0.04 1.46 1.90 2glfB1 LYS 338 HG3 0.03 -0.05 -0.08 -0.04 1.46 1.32 2glfB1 LYS 338 HD2 0.02 -0.04 -0.04 -0.04 1.69 1.59 2glfB1 LYS 338 HD3 0.01 -0.02 0.01 -0.04 1.68 1.64 2glfB1 LYS 338 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 2glfB1 LYS 338 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.91 2glfB1 ASP 339 H 0.07 0.12 -0.35 -0.55 8.40 7.69 2glfB1 ASP 339 HA 0.05 0.08 0.38 -0.75 4.63 4.38 2glfB1 ASP 339 HB2 0.06 0.00 0.02 -0.04 2.71 2.75 2glfB1 ASP 339 HB3 0.04 0.02 -0.01 -0.04 2.70 2.70 2glfB1 VAL 340 H 0.07 0.32 -0.33 -0.55 8.24 7.75 2glfB1 VAL 340 HA -0.02 0.00 0.39 -0.75 4.13 3.75 2glfB1 VAL 340 HB 0.02 0.37 0.18 -0.04 2.12 2.64 2glfB1 VAL 340 HG13 -0.39 -0.02 -0.15 -0.04 0.97 0.37 2glfB1 VAL 340 HG23 -0.01 -0.02 0.06 -0.04 0.95 0.93 2glfB1 HIS 341 H 0.12 0.40 -0.41 -0.55 8.41 7.97 2glfB1 HIS 341 HA 0.02 0.02 0.80 -0.75 4.63 4.72 2glfB1 HIS 341 HB2 0.03 0.09 -0.02 -0.04 3.26 3.32 2glfB1 HIS 341 HB3 0.02 -0.03 -0.19 -0.04 3.20 2.95 2glfB1 HIS 341 HD2 0.05 -0.09 -0.08 -0.04 6.97 6.80 2glfB1 HIS 341 HE1 0.01 0.04 0.04 -0.04 7.75 7.80 2glfB1 ASP 342 H 0.16 0.25 -0.10 -0.55 8.40 8.17 2glfB1 ASP 342 HA 0.07 0.17 0.73 -0.75 4.63 4.85 2glfB1 ASP 342 HB2 0.06 0.01 0.02 -0.04 2.71 2.76 2glfB1 ASP 342 HB3 0.07 0.07 0.05 -0.04 2.70 2.86 2glfB1 LEU 343 H 0.06 0.28 -0.06 -0.55 8.37 8.11 2glfB1 LEU 343 HA 0.00 0.08 0.27 -0.75 4.35 3.95 2glfB1 LEU 343 HB2 0.03 -0.04 0.08 -0.04 1.64 1.68 2glfB1 LEU 343 HB3 0.01 0.07 -0.01 -0.04 1.64 1.67 2glfB1 LEU 343 HG 0.01 0.01 -0.00 -0.04 1.64 1.61 2glfB1 LEU 343 HD13 0.02 -0.02 -0.07 -0.04 0.93 0.82 2glfB1 LEU 343 HD23 0.04 0.01 -0.00 -0.04 0.89 0.89 2glfB1 HIS 344 H 0.13 0.02 -0.30 -0.55 8.41 7.71 2glfB1 HIS 344 HA -0.03 0.13 0.41 -0.75 4.63 4.38 2glfB1 HIS 344 HB2 -0.01 -0.05 0.07 -0.04 3.26 3.23 2glfB1 HIS 344 HB3 0.00 -0.02 -0.03 -0.04 3.20 3.11 2glfB1 HIS 344 HD2 0.00 -0.03 -0.04 -0.04 6.97 6.85 2glfB1 HIS 344 HE1 -0.03 0.05 0.03 -0.04 7.75 7.76 2glfB1 ASN 345 H 0.03 0.58 -0.35 -0.55 8.53 8.25 2glfB1 ASN 345 HA -0.10 0.23 0.79 -0.75 4.76 4.92 2glfB1 ASN 345 HB2 0.03 -0.07 0.03 -0.04 2.88 2.83 2glfB1 ASN 345 HB3 -0.01 -0.07 0.16 -0.04 2.79 2.82 2glfB1 ASN 345 HD21 0.10 0.02 -0.13 -0.04 7.03 6.98 2glfB1 ASN 345 HD22 0.09 -0.10 -0.18 -0.04 7.74 7.51 2glfB1 ALA 346 H -0.06 0.41 -0.08 -0.55 8.40 8.12 2glfB1 ALA 346 HA -0.07 0.14 1.04 -0.75 4.34 4.69 2glfB1 ALA 346 HB3 -0.22 -0.05 -0.08 -0.04 1.41 1.02 2glfB1 PRO 347 HA -0.06 0.12 0.48 -0.51 4.44 4.47 2glfB1 PRO 347 HB2 -0.01 -0.02 -0.16 -0.04 2.28 2.04 2glfB1 PRO 347 HB3 -0.02 0.12 -0.12 -0.04 2.02 1.96 2glfB1 PRO 347 HG2 -0.07 -0.05 -0.12 -0.04 2.03 1.75 2glfB1 PRO 347 HG3 -0.02 -0.02 -0.15 -0.04 2.03 1.80 2glfB1 PRO 347 HD2 -0.18 0.15 0.29 -0.04 3.68 3.90 2glfB1 PRO 347 HD3 -0.05 0.05 0.25 -0.04 3.65 3.86 2glfB1 LYS 348 H -0.02 0.23 0.14 -0.55 8.42 8.21 2glfB1 LYS 348 HA -0.02 0.07 0.86 -0.75 4.32 4.48 2glfB1 LYS 348 HB2 -0.12 0.00 -0.03 -0.04 1.87 1.68 2glfB1 LYS 348 HB3 -0.01 0.02 0.00 -0.04 1.79 1.75 2glfB1 LYS 348 HG2 -0.17 0.11 -0.10 -0.04 1.46 1.25 2glfB1 LYS 348 HG3 -0.39 0.03 -0.02 -0.04 1.46 1.04 2glfB1 LYS 348 HD2 -0.09 -0.03 -0.04 -0.04 1.69 1.49 2glfB1 LYS 348 HD3 -0.13 0.02 -0.04 -0.04 1.68 1.50 2glfB1 LYS 348 HE2 -0.07 -0.03 -0.01 -0.04 2.99 2.84 2glfB1 LYS 348 HE3 -0.17 0.02 -0.02 -0.04 2.99 2.78 2glfB1 LEU 349 H 0.08 0.17 0.10 -0.55 8.37 8.18 2glfB1 LEU 349 HA 0.09 0.02 0.44 -0.75 4.35 4.15 2glfB1 LEU 349 HB2 0.10 0.03 0.14 -0.04 1.64 1.86 2glfB1 LEU 349 HB3 0.11 -0.02 -0.05 -0.04 1.64 1.63 2glfB1 LEU 349 HG 0.05 0.03 -0.05 -0.04 1.64 1.64 2glfB1 LEU 349 HD13 0.06 0.00 -0.10 -0.04 0.93 0.85 2glfB1 LEU 349 HD23 0.06 -0.01 -0.07 -0.04 0.89 0.83 2glfB1 GLY 350 H 0.08 0.11 0.25 -0.55 8.43 8.32 2glfB1 GLY 350 HA2 0.00 -0.14 0.35 -0.51 4.01 3.72 2glfB1 GLY 350 HA3 0.10 0.17 0.64 -0.51 4.01 4.40 2glfB1 TYR 351 H 0.15 0.37 -0.05 -0.55 8.29 8.22 2glfB1 TYR 351 HA -0.02 0.23 1.04 -0.75 4.56 5.06 2glfB1 TYR 351 HB2 -0.03 0.01 0.01 -0.04 3.06 3.00 2glfB1 TYR 351 HB3 -0.06 0.05 0.11 -0.04 2.98 3.03 2glfB1 TYR 351 HD2 -0.02 0.01 -0.56 -0.04 7.15 6.54 2glfB1 TYR 351 HE2 -0.00 0.04 -0.17 -0.04 6.85 6.68 2glfB1 GLY 352 H -0.03 -0.17 -0.29 -0.55 8.43 7.39 2glfB1 GLY 352 HA2 -0.03 -0.03 0.21 -0.51 4.01 3.65 2glfB1 GLY 352 HA3 0.01 0.27 0.27 -0.51 4.01 4.06 2glfB1 VAL 353 H 0.01 0.39 0.17 -0.55 8.24 8.27 2glfB1 VAL 353 HA -0.04 -0.07 0.27 -0.75 4.13 3.53 2glfB1 VAL 353 HB 0.01 -0.01 -0.05 -0.04 2.12 2.02 2glfB1 VAL 353 HG13 -0.13 0.06 -0.12 -0.04 0.97 0.74 2glfB1 VAL 353 HG23 -0.15 -0.01 -0.20 -0.04 0.95 0.55 2glfB1 ALA 354 H 0.01 0.55 0.23 -0.55 8.40 8.64 2glfB1 ALA 354 HA 0.08 0.21 0.67 -0.75 4.34 4.55 2glfB1 ALA 354 HB3 0.02 -0.00 -0.03 -0.04 1.41 1.35 2glfB1 LEU 355 H 0.13 0.60 0.31 -0.55 8.37 8.86 2glfB1 LEU 355 HA -0.01 0.30 0.90 -0.75 4.35 4.78 2glfB1 LEU 355 HB2 -0.00 0.04 -0.07 -0.04 1.64 1.56 2glfB1 LEU 355 HB3 0.17 -0.11 0.10 -0.04 1.64 1.75 2glfB1 LEU 355 HG -0.16 0.12 -0.07 -0.04 1.64 1.49 2glfB1 LEU 355 HD13 -0.66 -0.01 -0.11 -0.04 0.93 0.11 2glfB1 LEU 355 HD23 -0.05 -0.04 -0.27 -0.04 0.89 0.48 2glfB1 VAL 356 H -0.01 0.55 0.06 -0.55 8.24 8.29 2glfB1 VAL 356 HA -0.07 0.17 0.93 -0.75 4.13 4.40 2glfB1 VAL 356 HB -0.02 -0.07 0.07 -0.04 2.12 2.06 2glfB1 VAL 356 HG13 -0.10 0.00 -0.09 -0.04 0.97 0.74 2glfB1 VAL 356 HG23 -0.01 0.05 -0.24 -0.04 0.95 0.71 2glfB1 LYS 357 H -0.13 0.17 0.22 -0.55 8.42 8.13 2glfB1 LYS 357 HA 0.02 0.12 0.61 -0.75 4.32 4.32 2glfB1 LYS 357 HB2 0.03 0.06 0.11 -0.04 1.87 2.03 2glfB1 LYS 357 HB3 0.04 -0.04 0.16 -0.04 1.79 1.91 2glfB1 LYS 357 HG2 0.25 -0.07 -0.06 -0.04 1.46 1.54 2glfB1 LYS 357 HG3 0.09 0.01 0.10 -0.04 1.46 1.62 2glfB1 LYS 357 HD2 0.09 0.02 -0.01 -0.04 1.69 1.75 2glfB1 LYS 357 HD3 0.20 -0.03 -0.00 -0.04 1.68 1.81 2glfB1 LYS 357 HE2 0.07 0.11 -0.10 -0.04 2.99 3.03 2glfB1 LYS 357 HE3 0.08 -0.07 -0.03 -0.04 2.99 2.93 2glfB1 TYR 358 H -0.40 0.21 0.11 -0.55 8.29 7.65 2glfB1 TYR 358 HA -0.01 0.26 0.66 -0.75 4.56 4.71 2glfB1 TYR 358 HB2 -0.02 -0.03 -0.13 -0.04 3.06 2.83 2glfB1 TYR 358 HB3 -0.02 0.07 -0.14 -0.04 2.98 2.84 2glfB1 TYR 358 HD2 -0.01 -0.06 -0.17 -0.04 7.15 6.87 2glfB1 TYR 358 HE2 -0.00 0.02 -0.00 -0.04 6.85 6.82 2glfB1 THR 359 H 0.09 0.15 -0.04 -0.55 8.28 7.93 2glfB1 THR 359 HA 0.01 0.15 0.83 -0.75 4.39 4.62 2glfB1 THR 359 HB 0.03 0.02 0.01 -0.04 4.32 4.34 2glfB1 THR 359 HG23 0.01 0.01 -0.07 -0.04 1.22 1.13 2glfB1 GLY 360 H 0.21 0.16 -0.24 -0.55 8.43 8.01 2glfB1 GLY 360 HA2 0.08 -0.02 0.14 -0.51 4.01 3.70 2glfB1 GLY 360 HA3 0.12 -0.07 0.32 -0.51 4.01 3.87 2glfB1 ALA 361 H -0.01 -0.22 -0.04 -0.55 8.40 7.59 2glfB1 ALA 361 HA 0.02 0.26 0.38 -0.75 4.34 4.25 2glfB1 ALA 361 HB3 0.06 0.10 0.22 -0.04 1.41 1.75 2glfB1 ARG 362 H -0.01 0.29 0.14 -0.55 8.46 8.33 2glfB1 ARG 362 HA -0.05 0.05 0.37 -0.75 4.34 3.95 2glfB1 ARG 362 HB2 0.09 -0.01 -0.25 -0.04 1.90 1.68 2glfB1 ARG 362 HB3 0.07 0.04 0.21 -0.04 1.80 2.08 2glfB1 ARG 362 HG2 0.03 -0.02 0.05 -0.04 1.67 1.69 2glfB1 ARG 362 HG3 0.03 0.05 0.06 -0.04 1.67 1.77 2glfB1 ARG 362 HD2 0.08 0.01 -0.03 -0.04 3.22 3.24 2glfB1 ARG 362 HD3 0.13 -0.01 0.01 -0.04 3.22 3.30 2glfB1 GLY 363 H -0.14 0.04 -0.10 -0.55 8.43 7.67 2glfB1 GLY 363 HA2 -0.21 -0.01 0.26 -0.51 4.01 3.54 2glfB1 GLY 363 HA3 -0.44 0.22 0.78 -0.51 4.01 4.06 2glfB1 LYS 364 H -0.15 -0.18 -0.05 -0.55 8.42 7.47 2glfB1 LYS 364 HA -0.05 -0.08 0.20 -0.75 4.32 3.64 2glfB1 LYS 364 HB2 -0.17 0.28 -0.01 -0.04 1.87 1.93 2glfB1 LYS 364 HB3 -0.12 -0.03 0.12 -0.04 1.79 1.72 2glfB1 LYS 364 HG2 -0.30 -0.05 -0.07 -0.04 1.46 0.99 2glfB1 LYS 364 HG3 -0.27 -0.07 -0.25 -0.04 1.46 0.82 2glfB1 LYS 364 HD2 -0.28 0.06 -0.08 -0.04 1.69 1.35 2glfB1 LYS 364 HD3 -0.39 -0.01 -0.06 -0.04 1.68 1.18 2glfB1 LYS 364 HE2 -2.05 -0.03 -0.06 -0.04 2.99 0.81 2glfB1 LYS 364 HE3 -0.55 -0.01 -0.06 -0.04 2.99 2.33 2glfB1 TYR 365 H -0.12 0.42 -0.19 -0.55 8.29 7.85 2glfB1 TYR 365 HA -0.01 0.07 0.61 -0.75 4.56 4.47 2glfB1 TYR 365 HB2 0.00 0.06 0.02 -0.04 3.06 3.10 2glfB1 TYR 365 HB3 -0.00 -0.04 -0.04 -0.04 2.98 2.85 2glfB1 TYR 365 HD2 -0.00 -0.04 -0.08 -0.04 7.15 6.98 2glfB1 TYR 365 HE2 -0.00 -0.07 0.02 -0.04 6.85 6.76 2glfB1 SER 366 H 0.11 0.11 0.16 -0.55 8.46 8.30 2glfB1 SER 366 HA 0.01 0.00 0.33 -0.75 4.49 4.08 2glfB1 SER 366 HB2 0.04 0.20 0.05 -0.04 3.95 4.20 2glfB1 SER 366 HB3 0.00 -0.03 0.16 -0.04 3.93 4.02 2glfB1 THR 367 H 0.02 0.16 -0.14 -0.55 8.28 7.76 2glfB1 THR 367 HA -0.02 0.24 0.93 -0.75 4.39 4.79 2glfB1 THR 367 HB 0.03 -0.03 -0.32 -0.04 4.32 3.96 2glfB1 THR 367 HG23 0.06 -0.06 -0.08 -0.04 1.22 1.10 2glfB1 ASN 368 H -0.01 0.12 0.03 -0.55 8.53 8.13 2glfB1 ASN 368 HA -0.04 0.23 0.85 -0.75 4.76 5.05 2glfB1 ASN 368 HB2 -0.06 -0.02 -0.15 -0.04 2.88 2.61 2glfB1 ASN 368 HB3 -0.03 -0.12 0.06 -0.04 2.79 2.66 2glfB1 ASN 368 HD21 -0.02 0.16 -0.32 -0.04 7.03 6.81 2glfB1 ASN 368 HD22 -0.00 -0.07 -0.07 -0.04 7.74 7.56 2glfB1 ASP 369 H -0.04 0.22 -0.03 -0.55 8.40 8.00 2glfB1 ASP 369 HA 0.09 0.17 0.71 -0.75 4.63 4.84 2glfB1 ASP 369 HB2 -0.05 -0.05 0.02 -0.04 2.71 2.58 2glfB1 ASP 369 HB3 -0.08 -0.00 0.11 -0.04 2.70 2.68 2glfB1 ALA 370 H 0.04 0.55 0.33 -0.55 8.40 8.77 2glfB1 ALA 370 HA -0.09 0.06 0.56 -0.75 4.34 4.11 2glfB1 ALA 370 HB3 0.12 -0.01 0.22 -0.04 1.41 1.70 2glfB1 HIS 371 H -0.01 0.16 0.23 -0.55 8.41 8.24 2glfB1 HIS 371 HA 0.05 0.12 0.57 -0.75 4.63 4.62 2glfB1 HIS 371 HB2 0.09 -0.04 0.17 -0.04 3.26 3.45 2glfB1 HIS 371 HB3 0.05 -0.09 0.12 -0.04 3.20 3.24 2glfB1 HIS 371 HD2 -0.03 0.04 0.12 -0.04 6.97 7.05 2glfB1 HIS 371 HE1 0.00 -0.01 0.03 -0.04 7.75 7.73 2glfB1 ALA 372 H 0.14 0.19 0.20 -0.55 8.40 8.39 2glfB1 ALA 372 HA 0.06 0.12 0.39 -0.75 4.34 4.16 2glfB1 ALA 372 HB3 0.06 0.02 0.13 -0.04 1.41 1.58 2glfB1 GLU 373 H 0.10 0.10 -0.11 -0.55 8.60 8.15 2glfB1 GLU 373 HA 0.04 0.09 0.38 -0.75 4.29 4.04 2glfB1 GLU 373 HB2 0.06 0.10 -0.03 -0.04 2.09 2.18 2glfB1 GLU 373 HB3 0.03 0.03 0.09 -0.04 1.99 2.10 2glfB1 GLU 373 HG2 0.08 -0.04 0.02 -0.04 2.34 2.35 2glfB1 GLU 373 HG3 0.01 0.10 0.02 -0.04 2.34 2.42 2glfB1 PHE 374 H 0.25 0.14 -0.37 -0.55 8.34 7.81 2glfB1 PHE 374 HA -0.00 0.14 0.58 -0.75 4.62 4.58 2glfB1 PHE 374 HB2 0.06 -0.02 0.09 -0.04 3.15 3.24 2glfB1 PHE 374 HB3 0.04 0.04 0.11 -0.04 3.06 3.21 2glfB1 PHE 374 HD2 -0.01 0.02 -0.05 -0.04 7.28 7.20 2glfB1 PHE 374 HE2 -0.03 0.01 -0.27 -0.04 7.38 7.05 2glfB1 PHE 374 HZ -0.04 0.05 -0.17 -0.04 7.32 7.11 2glfB1 VAL 375 H 0.05 0.51 -0.06 -0.55 8.24 8.19 2glfB1 VAL 375 HA -0.27 0.09 0.44 -0.75 4.13 3.63 2glfB1 VAL 375 HB -0.02 0.07 0.12 -0.04 2.12 2.25 2glfB1 VAL 375 HG13 -0.10 -0.01 -0.11 -0.04 0.97 0.71 2glfB1 VAL 375 HG23 0.01 0.04 -0.09 -0.04 0.95 0.87 2glfB1 ALA 376 H -0.04 0.57 -0.14 -0.55 8.40 8.23 2glfB1 ALA 376 HA -0.07 0.01 0.34 -0.75 4.34 3.87 2glfB1 ALA 376 HB3 -0.02 0.03 0.06 -0.04 1.41 1.44 2glfB1 ARG 377 H -0.12 0.31 -0.36 -0.55 8.46 7.73 2glfB1 ARG 377 HA -0.09 0.03 0.43 -0.75 4.34 3.95 2glfB1 ARG 377 HB2 -0.18 0.12 0.20 -0.04 1.90 1.99 2glfB1 ARG 377 HB3 -0.12 0.01 -0.03 -0.04 1.80 1.63 2glfB1 ARG 377 HG2 -0.01 -0.03 0.06 -0.04 1.67 1.64 2glfB1 ARG 377 HG3 0.01 0.11 0.11 -0.04 1.67 1.85 2glfB1 ARG 377 HD2 0.18 -0.04 0.02 -0.04 3.22 3.35 2glfB1 ARG 377 HD3 0.08 0.02 0.02 -0.04 3.22 3.30 2glfB1 VAL 378 H -0.41 0.44 -0.20 -0.55 8.24 7.52 2glfB1 VAL 378 HA -0.30 0.06 0.42 -0.75 4.13 3.56 2glfB1 VAL 378 HB -0.45 0.06 0.15 -0.04 2.12 1.85 2glfB1 VAL 378 HG13 -0.38 -0.00 -0.15 -0.04 0.97 0.40 2glfB1 VAL 378 HG23 -0.73 0.06 0.01 -0.04 0.95 0.24 2glfB1 ARG 379 H -0.30 0.72 -0.12 -0.55 8.46 8.21 2glfB1 ARG 379 HA -0.59 0.00 0.32 -0.75 4.34 3.32 2glfB1 ARG 379 HB2 -0.24 0.16 0.07 -0.04 1.90 1.84 2glfB1 ARG 379 HB3 -0.11 0.04 0.00 -0.04 1.80 1.69 2glfB1 ARG 379 HG2 -0.26 -0.01 0.03 -0.04 1.67 1.39 2glfB1 ARG 379 HG3 -0.05 -0.04 -0.04 -0.04 1.67 1.50 2glfB1 ARG 379 HD2 0.11 0.01 -0.13 -0.04 3.22 3.17 2glfB1 ARG 379 HD3 0.37 -0.01 -0.04 -0.04 3.22 3.49 2glfB1 LYS 380 H -0.14 0.44 -0.40 -0.55 8.42 7.76 2glfB1 LYS 380 HA -0.04 -0.02 0.43 -0.75 4.32 3.94 2glfB1 LYS 380 HB2 -0.05 0.03 0.11 -0.04 1.87 1.91 2glfB1 LYS 380 HB3 -0.08 0.16 0.13 -0.04 1.79 1.97 2glfB1 LYS 380 HG2 -0.04 0.04 -0.15 -0.04 1.46 1.27 2glfB1 LYS 380 HG3 -0.03 -0.07 0.04 -0.04 1.46 1.37 2glfB1 LYS 380 HD2 -0.02 -0.05 -0.01 -0.04 1.69 1.57 2glfB1 LYS 380 HD3 -0.03 0.03 -0.01 -0.04 1.68 1.63 2glfB1 LYS 380 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.89 2glfB1 LYS 380 HE3 -0.01 -0.05 -0.01 -0.04 2.99 2.88 2glfB1 VAL 381 H -0.14 0.42 -0.15 -0.55 8.24 7.82 2glfB1 VAL 381 HA -0.07 0.04 0.36 -0.75 4.13 3.71 2glfB1 VAL 381 HB -0.15 0.04 0.10 -0.04 2.12 2.06 2glfB1 VAL 381 HG13 -0.09 0.00 -0.34 -0.04 0.97 0.50 2glfB1 VAL 381 HG23 -0.09 0.05 -0.10 -0.04 0.95 0.77 2glfB1 LEU 382 H -0.22 0.63 -0.04 -0.55 8.37 8.19 2glfB1 LEU 382 HA -0.12 0.01 0.27 -0.75 4.35 3.77 2glfB1 LEU 382 HB2 -0.53 0.00 0.02 -0.04 1.64 1.09 2glfB1 LEU 382 HB3 -0.24 -0.00 -0.09 -0.04 1.64 1.26 2glfB1 LEU 382 HG -0.36 0.22 0.02 -0.04 1.64 1.48 2glfB1 LEU 382 HD13 -0.76 -0.03 -0.17 -0.04 0.93 -0.07 2glfB1 LEU 382 HD23 -0.19 -0.01 -0.07 -0.04 0.89 0.58 2glfB1 ASN 383 H -0.04 0.52 -0.26 -0.55 8.53 8.20 2glfB1 ASN 383 HA 0.17 0.03 0.40 -0.75 4.76 4.61 2glfB1 ASN 383 HB2 0.05 0.17 0.21 -0.04 2.88 3.27 2glfB1 ASN 383 HB3 0.07 -0.08 -0.02 -0.04 2.79 2.71 2glfB1 ASN 383 HD21 0.39 -0.05 -0.01 -0.04 7.03 7.32 2glfB1 ASN 383 HD22 0.29 0.03 0.03 -0.04 7.74 8.04 2glfB1 GLU 384 H -0.01 0.66 -0.06 -0.55 8.60 8.64 2glfB1 GLU 384 HA -0.00 -0.05 0.41 -0.75 4.29 3.89 2glfB1 GLU 384 HB2 -0.03 0.13 0.16 -0.04 2.09 2.31 2glfB1 GLU 384 HB3 -0.02 -0.09 0.04 -0.04 1.99 1.88 2glfB1 GLU 384 HG2 -0.01 -0.13 0.06 -0.04 2.34 2.23 2glfB1 GLU 384 HG3 -0.02 0.30 0.18 -0.04 2.34 2.76 2glfB1 GLN 385 H -0.03 0.66 -0.21 -0.55 8.47 8.34 2glfB1 GLN 385 HA -0.03 0.04 0.53 -0.75 4.36 4.14 2glfB1 GLN 385 HB2 -0.06 0.02 -0.00 -0.04 2.15 2.07 2glfB1 GLN 385 HB3 -0.07 -0.06 0.07 -0.04 2.02 1.92 2glfB1 GLN 385 HG2 -0.06 0.09 -0.02 -0.04 2.40 2.37 2glfB1 GLN 385 HG3 -0.08 -0.04 -0.09 -0.04 2.39 2.14 2glfB1 GLN 385 HE21 -0.05 -0.03 -0.04 -0.04 6.97 6.82 2glfB1 GLN 385 HE22 -0.07 0.05 -0.03 -0.04 7.69 7.60 2glfB1 GLY 386 H -0.00 0.44 -0.62 -0.55 8.43 7.70 2glfB1 GLY 386 HA2 -0.00 0.03 0.29 -0.51 4.01 3.81 2glfB1 GLY 386 HA3 -0.02 -0.04 0.40 -0.51 4.01 3.84 2glfB1 VAL 387 H 0.02 0.69 -0.06 -0.55 8.24 8.33 2glfB1 VAL 387 HA -0.03 0.05 0.60 -0.75 4.13 4.00 2glfB1 VAL 387 HB -0.00 -0.05 0.02 -0.04 2.12 2.05 2glfB1 VAL 387 HG13 -0.04 -0.03 -0.23 -0.04 0.97 0.63 2glfB1 VAL 387 HG23 -0.10 0.01 -0.18 -0.04 0.95 0.64 2glfB1 ILE 388 H -0.01 0.09 0.11 -0.55 8.25 7.89 2glfB1 ILE 388 HA -0.04 0.14 0.58 -0.75 4.18 4.10 2glfB1 ILE 388 HB -0.04 -0.15 0.08 -0.04 1.89 1.74 2glfB1 ILE 388 HG12 -0.19 0.03 -0.11 -0.04 1.49 1.17 2glfB1 ILE 388 HG13 -0.08 0.13 -0.06 -0.04 1.21 1.17 2glfB1 ILE 388 HG23 -0.08 -0.01 -0.30 -0.04 0.93 0.51 2glfB1 ILE 388 HD13 -0.00 -0.03 -0.14 -0.04 0.88 0.67 2glfB1 TRP 389 H -0.30 0.26 0.21 -0.55 7.97 7.60 2glfB1 TRP 389 HA -0.06 0.07 0.79 -0.75 4.62 4.66 2glfB1 TRP 389 HB2 -0.07 0.09 -0.00 -0.04 3.23 3.21 2glfB1 TRP 389 HB3 -0.08 -0.02 -0.27 -0.04 3.23 2.82 2glfB1 TRP 389 HD1 -0.08 0.37 -0.17 -0.04 7.22 7.30 2glfB1 TRP 389 HE1 -0.06 0.01 -0.08 -0.04 10.20 10.03 2glfB1 TRP 389 HE3 -0.06 0.07 -0.35 -0.04 7.59 7.21 2glfB1 TRP 389 HZ2 -0.05 0.00 -0.04 -0.04 7.44 7.32 2glfB1 TRP 389 HZ3 -0.05 -0.06 -0.13 -0.04 7.13 6.85 2glfB1 TRP 389 HH2 -0.04 -0.05 -0.06 -0.04 7.19 6.99 2glfB1 GLN 390 H 0.25 0.69 0.22 -0.55 8.47 9.09 2glfB1 GLN 390 HA -0.26 0.07 0.74 -0.75 4.36 4.16 2glfB1 GLN 390 HB2 -0.07 -0.01 0.03 -0.04 2.15 2.06 2glfB1 GLN 390 HB3 -0.06 0.17 -0.13 -0.04 2.02 1.97 2glfB1 GLN 390 HG2 0.06 0.12 -0.37 -0.04 2.40 2.17 2glfB1 GLN 390 HG3 0.03 -0.05 -0.31 -0.04 2.39 2.02 2glfB1 GLN 390 HE21 0.10 -0.03 -0.06 -0.04 6.97 6.94 2glfB1 GLN 390 HE22 0.05 0.64 -0.37 -0.04 7.69 7.97 2glfB1 VAL 391 H -0.04 0.12 0.13 -0.55 8.24 7.90 2glfB1 VAL 391 HA 0.15 0.23 0.74 -0.75 4.13 4.49 2glfB1 VAL 391 HB 0.07 0.02 0.14 -0.04 2.12 2.30 2glfB1 VAL 391 HG13 0.14 0.00 0.05 -0.04 0.97 1.12 2glfB1 VAL 391 HG23 -0.05 -0.00 -0.18 -0.04 0.95 0.68 2glfB1 ALA 392 H -0.01 0.41 0.14 -0.55 8.40 8.40 2glfB1 ALA 392 HA -0.04 0.20 0.61 -0.75 4.34 4.35 2glfB1 ALA 392 HB3 -0.01 0.01 -0.17 -0.04 1.41 1.19 2glfB1 THR 393 H -0.03 0.63 0.41 -0.55 8.28 8.75 2glfB1 THR 393 HA -0.19 0.12 0.98 -0.75 4.39 4.56 2glfB1 THR 393 HB -0.07 -0.00 0.06 -0.04 4.32 4.26 2glfB1 THR 393 HG23 -0.15 -0.01 -0.01 -0.04 1.22 1.01 2glfB1 LEU 394 H -0.06 0.14 0.13 -0.55 8.37 8.04 2glfB1 LEU 394 HA 0.06 0.07 0.59 -0.75 4.35 4.31 2glfB1 LEU 394 HB2 -0.01 -0.03 0.13 -0.04 1.64 1.69 2glfB1 LEU 394 HB3 0.01 0.01 0.15 -0.04 1.64 1.77 2glfB1 LEU 394 HG 0.00 0.06 -0.01 -0.04 1.64 1.66 2glfB1 LEU 394 HD13 0.03 0.00 0.02 -0.04 0.93 0.94 2glfB1 LEU 394 HD23 0.01 0.00 0.04 -0.04 0.89 0.91 2glfB1 GLY 395 H 0.15 0.41 0.03 -0.55 8.43 8.48 2glfB1 GLY 395 HA2 -0.13 -0.04 0.33 -0.51 4.01 3.65 2glfB1 GLY 395 HA3 -0.11 0.11 0.49 -0.51 4.01 3.99 2glfB1 LYS 396 H -0.04 0.64 0.31 -0.55 8.42 8.78 2glfB1 LYS 396 HA 0.04 -0.01 0.35 -0.75 4.32 3.94 2glfB1 LYS 396 HB2 -0.00 0.07 0.08 -0.04 1.87 1.98 2glfB1 LYS 396 HB3 0.02 -0.13 0.02 -0.04 1.79 1.66 2glfB1 LYS 396 HG2 0.04 -0.11 -0.11 -0.04 1.46 1.23 2glfB1 LYS 396 HG3 0.03 0.01 -0.41 -0.04 1.46 1.05 2glfB1 LYS 396 HD2 0.02 0.14 0.00 -0.04 1.69 1.81 2glfB1 LYS 396 HD3 0.02 -0.15 -0.01 -0.04 1.68 1.50 2glfB1 LYS 396 HE2 0.03 -0.18 0.01 -0.04 2.99 2.82 2glfB1 LYS 396 HE3 0.04 0.41 0.03 -0.04 2.99 3.43 2glfB1 VAL 397 H 0.03 0.10 0.13 -0.55 8.24 7.95 2glfB1 VAL 397 HA 0.04 0.08 0.33 -0.75 4.13 3.82 2glfB1 VAL 397 HB 0.01 -0.03 0.14 -0.04 2.12 2.20 2glfB1 VAL 397 HG13 -0.01 -0.00 -0.15 -0.04 0.97 0.77 2glfB1 VAL 397 HG23 0.03 0.01 0.08 -0.04 0.95 1.03 2glfB1 ASP 398 H 0.01 0.10 -0.10 -0.55 8.40 7.86 2glfB1 ASP 398 HA -0.00 0.14 1.08 -0.75 4.63 5.10 2glfB1 ASP 398 HB2 0.01 -0.00 0.07 -0.04 2.71 2.75 2glfB1 ASP 398 HB3 0.01 0.05 0.19 -0.04 2.70 2.91 2glfB1 GLN 399 H 0.00 0.49 -0.35 -0.55 8.47 8.07 2glfB1 GLN 399 HA -0.00 0.00 0.40 -0.75 4.36 4.01 2glfB1 GLN 399 HB2 -0.02 0.29 0.13 -0.04 2.15 2.51 2glfB1 GLN 399 HB3 -0.04 0.01 -0.01 -0.04 2.02 1.94 2glfB1 GLN 399 HG2 -0.01 -0.16 0.04 -0.04 2.40 2.23 2glfB1 GLN 399 HG3 -0.06 0.29 0.25 -0.04 2.39 2.83 2glfB1 GLN 399 HE21 0.00 -0.03 -0.01 -0.04 6.97 6.89 2glfB1 GLN 399 HE22 0.00 -0.06 -0.04 -0.04 7.69 7.55 2glfB1 GLY 400 H -0.00 0.30 0.04 -0.55 8.43 8.22 2glfB1 GLY 400 HA2 0.01 0.11 0.57 -0.51 4.01 4.19 2glfB1 GLY 400 HA3 -0.00 0.03 0.32 -0.51 4.01 3.85 2glfB1 GLY 401 H 0.02 0.08 0.13 -0.55 8.43 8.11 2glfB1 GLY 401 HA2 0.03 0.13 0.66 -0.51 4.01 4.32 2glfB1 GLY 401 HA3 0.03 -0.01 0.37 -0.51 4.01 3.90 2glfB1 GLY 402 H 0.03 0.39 0.30 -0.55 8.43 8.61 2glfB1 GLY 402 HA2 0.02 -0.01 0.43 -0.51 4.01 3.94 2glfB1 GLY 402 HA3 0.02 0.02 0.31 -0.51 4.01 3.85 2glfB1 GLY 403 H 0.03 0.10 0.03 -0.55 8.43 8.04 2glfB1 GLY 403 HA2 0.00 0.03 0.53 -0.51 4.01 4.07 2glfB1 GLY 403 HA3 0.02 0.12 0.53 -0.51 4.01 4.16 2glfB1 THR 404 H 0.00 0.08 0.18 -0.55 8.28 8.00 2glfB1 THR 404 HA 0.07 0.24 0.79 -0.75 4.39 4.73 2glfB1 THR 404 HB 0.06 -0.06 0.13 -0.04 4.32 4.41 2glfB1 THR 404 HG23 0.05 0.05 -0.03 -0.04 1.22 1.25 2glfB1 ILE 405 H 0.11 0.21 0.10 -0.55 8.25 8.12 2glfB1 ILE 405 HA 0.26 0.17 0.49 -0.75 4.18 4.34 2glfB1 ILE 405 HB 0.40 0.03 0.05 -0.04 1.89 2.34 2glfB1 ILE 405 HG12 0.14 -0.06 0.06 -0.04 1.49 1.59 2glfB1 ILE 405 HG13 0.05 0.06 -0.16 -0.04 1.21 1.11 2glfB1 ILE 405 HG23 0.20 0.01 -0.02 -0.04 0.93 1.07 2glfB1 ILE 405 HD13 0.21 0.02 -0.24 -0.04 0.88 0.84 2glfB1 ALA 406 H 0.02 0.05 -0.41 -0.55 8.40 7.51 2glfB1 ALA 406 HA 0.04 0.11 0.23 -0.75 4.34 3.96 2glfB1 ALA 406 HB3 -0.02 0.03 -0.03 -0.04 1.41 1.35 2glfB1 LYS 407 H -0.16 0.21 -0.32 -0.55 8.42 7.59 2glfB1 LYS 407 HA -0.07 0.07 0.38 -0.75 4.32 3.94 2glfB1 LYS 407 HB2 -0.20 0.05 -0.09 -0.04 1.87 1.59 2glfB1 LYS 407 HB3 -0.17 -0.04 -0.16 -0.04 1.79 1.39 2glfB1 LYS 407 HG2 -0.58 0.06 -0.03 -0.04 1.46 0.87 2glfB1 LYS 407 HG3 -1.13 0.01 -0.18 -0.04 1.46 0.12 2glfB1 LYS 407 HD2 -0.26 -0.04 -0.15 -0.04 1.69 1.20 2glfB1 LYS 407 HD3 -0.21 0.10 -0.19 -0.04 1.68 1.34 2glfB1 LYS 407 HE2 -0.30 0.05 -0.01 -0.04 2.99 2.68 2glfB1 LYS 407 HE3 -0.64 -0.05 -0.06 -0.04 2.99 2.20 2glfB1 PHE 408 H -0.31 0.29 -0.26 -0.55 8.34 7.51 2glfB1 PHE 408 HA -0.09 0.06 0.38 -0.75 4.62 4.22 2glfB1 PHE 408 HB2 -0.26 0.13 0.00 -0.04 3.15 2.97 2glfB1 PHE 408 HB3 -0.32 0.05 -0.01 -0.04 3.06 2.73 2glfB1 PHE 408 HD2 -0.06 -0.01 -0.01 -0.04 7.28 7.16 2glfB1 PHE 408 HE2 -0.03 -0.01 -0.10 -0.04 7.38 7.20 2glfB1 PHE 408 HZ -0.02 0.08 -0.07 -0.04 7.32 7.26 2glfB1 PHE 409 H 0.28 0.28 -0.56 -0.55 8.34 7.79 2glfB1 PHE 409 HA 0.05 0.16 0.74 -0.75 4.62 4.82 2glfB1 PHE 409 HB2 -0.05 0.09 -0.01 -0.04 3.15 3.14 2glfB1 PHE 409 HB3 -0.03 0.05 -0.11 -0.04 3.06 2.92 2glfB1 PHE 409 HD2 -0.18 0.14 -0.12 -0.04 7.28 7.08 2glfB1 PHE 409 HE2 -0.54 -0.07 -0.12 -0.04 7.38 6.62 2glfB1 PHE 409 HZ -0.53 -0.06 -0.08 -0.04 7.32 6.61 2glfB1 ALA 410 H 0.09 0.32 0.06 -0.55 8.40 8.33 2glfB1 ALA 410 HA 0.03 0.44 0.50 -0.75 4.34 4.56 2glfB1 ALA 410 HB3 -0.00 -0.02 0.09 -0.04 1.41 1.43 2glfB1 GLU 411 H 0.03 0.34 -0.33 -0.55 8.60 8.09 2glfB1 GLU 411 HA 0.02 0.02 0.35 -0.75 4.29 3.93 2glfB1 GLU 411 HB2 0.01 0.12 0.09 -0.04 2.09 2.27 2glfB1 GLU 411 HB3 0.03 0.11 -0.05 -0.04 1.99 2.05 2glfB1 GLU 411 HG2 0.03 0.00 -0.07 -0.04 2.34 2.26 2glfB1 GLU 411 HG3 0.02 -0.05 0.03 -0.04 2.34 2.31 2glfB1 ARG 412 H 0.05 0.17 -0.68 -0.55 8.46 7.45 2glfB1 ARG 412 HA 0.03 0.07 0.53 -0.75 4.34 4.21 2glfB1 ARG 412 HB2 0.14 0.14 0.06 -0.04 1.90 2.20 2glfB1 ARG 412 HB3 0.06 -0.05 0.12 -0.04 1.80 1.88 2glfB1 ARG 412 HG2 0.02 -0.06 -0.04 -0.04 1.67 1.55 2glfB1 ARG 412 HG3 0.01 0.25 0.09 -0.04 1.67 1.97 2glfB1 ARG 412 HD2 0.37 0.02 -0.02 -0.04 3.22 3.56 2glfB1 ARG 412 HD3 0.06 -0.11 -0.02 -0.04 3.22 3.11 2glfB1 GLY 413 H 0.03 0.42 -0.61 -0.55 8.43 7.72 2glfB1 GLY 413 HA2 0.01 -0.07 0.27 -0.51 4.01 3.71 2glfB1 GLY 413 HA3 0.01 0.14 0.72 -0.51 4.01 4.36 2glfB1 SER 414 H 0.05 0.09 -0.08 -0.55 8.46 7.97 2glfB1 SER 414 HA -0.03 0.49 0.74 -0.75 4.49 4.93 2glfB1 SER 414 HB2 0.07 -0.20 -0.16 -0.04 3.95 3.62 2glfB1 SER 414 HB3 -0.01 0.11 0.05 -0.04 3.93 4.03 2glfB1 ASP 415 H -0.21 0.41 0.27 -0.55 8.40 8.32 2glfB1 ASP 415 HA -0.25 0.04 0.82 -0.75 4.63 4.48 2glfB1 ASP 415 HB2 -0.62 0.10 0.23 -0.04 2.71 2.37 2glfB1 ASP 415 HB3 -1.73 -0.06 0.07 -0.04 2.70 0.94 2glfB1 VAL 416 H -0.22 0.12 0.21 -0.55 8.24 7.80 2glfB1 VAL 416 HA -0.10 0.58 1.13 -0.75 4.13 4.99 2glfB1 VAL 416 HB -0.03 -0.09 -0.07 -0.04 2.12 1.89 2glfB1 VAL 416 HG13 -0.06 -0.05 -0.02 -0.04 0.97 0.81 2glfB1 VAL 416 HG23 -0.00 0.06 -0.30 -0.04 0.95 0.66 2glfB1 ILE 417 H 0.08 0.32 0.32 -0.55 8.25 8.42 2glfB1 ILE 417 HA 0.09 0.03 0.60 -0.75 4.18 4.15 2glfB1 ILE 417 HB 0.36 0.01 -0.13 -0.04 1.89 2.09 2glfB1 ILE 417 HG12 -0.01 0.30 -0.10 -0.04 1.49 1.63 2glfB1 ILE 417 HG13 0.04 -0.06 0.16 -0.04 1.21 1.30 2glfB1 ILE 417 HG23 0.05 0.03 -0.03 -0.04 0.93 0.94 2glfB1 ILE 417 HD13 -0.14 -0.04 -0.08 -0.04 0.88 0.58 2glfB1 ASP 418 H 0.02 0.25 0.18 -0.55 8.40 8.30 2glfB1 ASP 418 HA 0.01 0.24 0.60 -0.75 4.63 4.73 2glfB1 ASP 418 HB2 -0.00 0.15 0.15 -0.04 2.71 2.98 2glfB1 ASP 418 HB3 0.01 0.11 0.11 -0.04 2.70 2.89 2glfB1 GLY 420 HA2 0.00 -0.11 0.16 -0.51 4.01 3.56 2glfB1 GLY 420 HA3 0.07 0.06 0.10 -0.51 4.01 3.72 2glfB1 PRO 421 HA -0.01 0.10 0.60 -0.51 4.44 4.63 2glfB1 PRO 421 HB2 -0.00 -0.02 -0.05 -0.04 2.28 2.17 2glfB1 PRO 421 HB3 -0.04 0.03 -0.11 -0.04 2.02 1.86 2glfB1 PRO 421 HG2 0.01 -0.02 -0.10 -0.04 2.03 1.87 2glfB1 PRO 421 HG3 -0.03 0.05 -0.10 -0.04 2.03 1.91 2glfB1 PRO 421 HD2 0.02 0.05 0.03 -0.04 3.68 3.74 2glfB1 PRO 421 HD3 -0.06 0.15 0.03 -0.04 3.65 3.74 2glfB1 ALA 422 H 0.02 0.07 0.10 -0.55 8.40 8.05 2glfB1 ALA 422 HA 0.03 0.14 0.60 -0.75 4.34 4.36 2glfB1 ALA 422 HB3 0.02 -0.00 -0.20 -0.04 1.41 1.19 2glfB1 LEU 423 H 0.04 0.71 0.32 -0.55 8.37 8.90 2glfB1 LEU 423 HA 0.04 0.34 1.02 -0.75 4.35 5.00 2glfB1 LEU 423 HB2 0.05 0.04 0.03 -0.04 1.64 1.72 2glfB1 LEU 423 HB3 0.04 -0.04 0.03 -0.04 1.64 1.62 2glfB1 LEU 423 HG 0.05 0.00 -0.13 -0.04 1.64 1.52 2glfB1 LEU 423 HD13 0.06 -0.01 -0.24 -0.04 0.93 0.70 2glfB1 LEU 423 HD23 0.04 0.03 -0.26 -0.04 0.89 0.65 2glfB1 LEU 424 H 0.03 0.54 0.32 -0.55 8.37 8.71 2glfB1 LEU 424 HA 0.07 0.11 0.78 -0.75 4.35 4.56 2glfB1 LEU 424 HB2 0.04 0.02 -0.06 -0.04 1.64 1.60 2glfB1 LEU 424 HB3 0.05 0.01 0.05 -0.04 1.64 1.70 2glfB1 LEU 424 HG 0.09 -0.04 -0.04 -0.04 1.64 1.62 2glfB1 LEU 424 HD13 0.07 0.02 -0.30 -0.04 0.93 0.68 2glfB1 LEU 424 HD23 0.05 -0.00 -0.07 -0.04 0.89 0.83 2glfB1 GLY 425 H 0.07 0.18 0.04 -0.55 8.43 8.17 2glfB1 GLY 425 HA2 0.07 0.06 0.22 -0.51 4.01 3.85 2glfB1 GLY 425 HA3 0.05 0.18 0.39 -0.51 4.01 4.11 2glfB1 HIS 427 HA 0.19 -0.04 0.32 -0.75 4.63 4.34 2glfB1 HIS 427 HB2 0.13 -0.09 -0.02 -0.04 3.26 3.25 2glfB1 HIS 427 HB3 0.19 0.04 0.14 -0.04 3.20 3.52 2glfB1 HIS 427 HD2 0.14 -0.05 0.13 -0.04 6.97 7.14 2glfB1 HIS 427 HE1 0.06 -0.07 0.10 -0.04 7.75 7.80 2glfB1 SER 428 H 0.17 0.45 1.04 -0.55 8.46 9.58 2glfB1 SER 428 HA 0.17 0.07 0.67 -0.75 4.49 4.65 2glfB1 SER 428 HB2 -0.43 -0.02 0.15 -0.04 3.95 3.61 2glfB1 SER 428 HB3 -0.03 -0.08 0.06 -0.04 3.93 3.85 2glfB1 PRO 429 HA 0.23 0.14 0.64 -0.51 4.44 4.94 2glfB1 PRO 429 HB2 0.11 0.03 0.06 -0.04 2.28 2.45 2glfB1 PRO 429 HB3 -0.77 0.04 0.07 -0.04 2.02 1.32 2glfB1 PRO 429 HG2 -0.05 0.01 0.02 -0.04 2.03 1.98 2glfB1 PRO 429 HG3 -0.37 0.18 -0.01 -0.04 2.03 1.79 2glfB1 PRO 429 HD2 -0.47 0.04 0.21 -0.04 3.68 3.42 2glfB1 PRO 429 HD3 -0.35 0.11 0.08 -0.04 3.65 3.45 2glfB1 PHE 430 H 0.09 0.05 -0.48 -0.55 8.34 7.45 2glfB1 PHE 430 HA -0.01 0.19 0.49 -0.75 4.62 4.54 2glfB1 PHE 430 HB2 -0.44 0.01 -0.25 -0.04 3.15 2.42 2glfB1 PHE 430 HB3 -0.21 -0.06 0.10 -0.04 3.06 2.85 2glfB1 PHE 430 HD2 -0.19 0.03 -0.12 -0.04 7.28 6.96 2glfB1 PHE 430 HE2 -0.11 0.09 -0.19 -0.04 7.38 7.13 2glfB1 PHE 430 HZ -0.10 0.04 -0.05 -0.04 7.32 7.17 2glfB1 GLU 431 H 0.00 0.28 -0.04 -0.55 8.60 8.29 2glfB1 GLU 431 HA -0.02 0.14 0.59 -0.75 4.29 4.25 2glfB1 GLU 431 HB2 -0.01 -0.02 0.07 -0.04 2.09 2.08 2glfB1 GLU 431 HB3 0.02 -0.06 -0.04 -0.04 1.99 1.86 2glfB1 GLU 431 HG2 0.09 0.19 -0.37 -0.04 2.34 2.21 2glfB1 GLU 431 HG3 0.08 0.10 0.04 -0.04 2.34 2.52 2glfB1 ILE 432 H -0.03 0.52 0.42 -0.55 8.25 8.61 2glfB1 ILE 432 HA -0.14 0.44 1.08 -0.75 4.18 4.81 2glfB1 ILE 432 HB -0.00 -0.08 0.20 -0.04 1.89 1.98 2glfB1 ILE 432 HG12 -0.08 0.14 -0.07 -0.04 1.49 1.44 2glfB1 ILE 432 HG13 -0.00 -0.09 -0.04 -0.04 1.21 1.04 2glfB1 ILE 432 HG23 0.00 -0.03 -0.16 -0.04 0.93 0.71 2glfB1 ILE 432 HD13 -0.14 0.02 -0.14 -0.04 0.88 0.59 2glfB1 SER 433 H -0.01 0.59 0.40 -0.55 8.46 8.89 2glfB1 SER 433 HA 0.04 0.19 0.78 -0.75 4.49 4.74 2glfB1 SER 433 HB2 0.04 -0.04 0.03 -0.04 3.95 3.93 2glfB1 SER 433 HB3 0.04 0.02 -0.24 -0.04 3.93 3.71 2glfB1 SER 434 H 0.06 0.15 0.19 -0.55 8.46 8.31 2glfB1 SER 434 HA 0.15 0.27 0.83 -0.75 4.49 4.99 2glfB1 SER 434 HB2 0.13 0.07 0.05 -0.04 3.95 4.15 2glfB1 SER 434 HB3 0.07 -0.11 0.19 -0.04 3.93 4.04 2glfB1 LYS 435 H 0.27 0.90 0.38 -0.55 8.42 9.42 2glfB1 LYS 435 HA 0.11 0.13 0.40 -0.75 4.32 4.20 2glfB1 LYS 435 HB2 0.37 -0.03 0.16 -0.04 1.87 2.34 2glfB1 LYS 435 HB3 0.08 0.03 -0.08 -0.04 1.79 1.79 2glfB1 LYS 435 HG2 0.16 0.01 -0.09 -0.04 1.46 1.50 2glfB1 LYS 435 HG3 0.21 0.02 -0.25 -0.04 1.46 1.40 2glfB1 LYS 435 HD2 0.37 0.01 0.02 -0.04 1.69 2.05 2glfB1 LYS 435 HD3 0.19 -0.03 -0.06 -0.04 1.68 1.74 2glfB1 LYS 435 HE2 0.11 -0.03 -0.09 -0.04 2.99 2.94 2glfB1 LYS 435 HE3 0.13 0.07 -0.11 -0.04 2.99 3.05 2glfB1 ALA 436 H -0.22 0.16 -0.02 -0.55 8.40 7.78 2glfB1 ALA 436 HA -0.58 0.12 0.29 -0.75 4.34 3.43 2glfB1 ALA 436 HB3 -1.16 -0.00 0.04 -0.04 1.41 0.24 2glfB1 ASP 437 H -0.07 0.03 -0.32 -0.55 8.40 7.50 2glfB1 ASP 437 HA -0.08 0.03 0.33 -0.75 4.63 4.16 2glfB1 ASP 437 HB2 -0.01 0.09 0.11 -0.04 2.71 2.86 2glfB1 ASP 437 HB3 -0.03 0.07 -0.03 -0.04 2.70 2.67 2glfB1 LEU 438 H -0.01 0.46 -0.21 -0.55 8.37 8.07 2glfB1 LEU 438 HA -0.05 -0.01 0.34 -0.75 4.35 3.87 2glfB1 LEU 438 HB2 0.00 0.04 0.13 -0.04 1.64 1.78 2glfB1 LEU 438 HB3 0.11 0.21 0.16 -0.04 1.64 2.08 2glfB1 LEU 438 HG -0.22 -0.01 -0.03 -0.04 1.64 1.34 2glfB1 LEU 438 HD13 0.29 0.01 -0.16 -0.04 0.93 1.02 2glfB1 LEU 438 HD23 -0.41 -0.02 0.02 -0.04 0.89 0.44 2glfB1 PHE 439 H 0.10 0.44 -0.28 -0.55 8.34 8.05 2glfB1 PHE 439 HA -0.35 0.08 0.39 -0.75 4.62 3.98 2glfB1 PHE 439 HB2 -0.12 0.02 0.04 -0.04 3.15 3.05 2glfB1 PHE 439 HB3 -0.22 0.09 0.12 -0.04 3.06 3.01 2glfB1 PHE 439 HD2 -0.28 0.03 -0.11 -0.04 7.28 6.87 2glfB1 PHE 439 HE2 -0.09 0.04 -0.08 -0.04 7.38 7.21 2glfB1 PHE 439 HZ -0.04 0.03 -0.05 -0.04 7.32 7.22 2glfB1 GLU 440 H -0.06 0.50 0.03 -0.55 8.60 8.52 2glfB1 GLU 440 HA -0.29 0.06 0.43 -0.75 4.29 3.73 2glfB1 GLU 440 HB2 -0.08 0.00 0.12 -0.04 2.09 2.09 2glfB1 GLU 440 HB3 -0.10 -0.05 0.05 -0.04 1.99 1.84 2glfB1 GLU 440 HG2 -0.05 0.12 0.15 -0.04 2.34 2.52 2glfB1 GLU 440 HG3 -0.11 0.03 0.11 -0.04 2.34 2.33 2glfB1 THR 441 H -0.19 0.63 -0.30 -0.55 8.28 7.86 2glfB1 THR 441 HA -0.41 0.05 0.40 -0.75 4.39 3.67 2glfB1 THR 441 HB -0.21 0.12 0.08 -0.04 4.32 4.27 2glfB1 THR 441 HG23 -0.63 -0.01 -0.09 -0.04 1.22 0.46 2glfB1 TYR 442 H -0.21 0.38 -0.14 -0.55 8.29 7.77 2glfB1 TYR 442 HA -0.22 0.08 0.37 -0.75 4.56 4.04 2glfB1 TYR 442 HB2 -0.22 -0.05 0.14 -0.04 3.06 2.89 2glfB1 TYR 442 HB3 -0.74 0.14 0.23 -0.04 2.98 2.56 2glfB1 TYR 442 HD2 -0.78 0.05 -0.03 -0.04 7.15 6.36 2glfB1 TYR 442 HE2 -0.26 0.04 -0.22 -0.04 6.85 6.37 2glfB1 VAL 443 H -0.60 0.45 -0.15 -0.55 8.24 7.39 2glfB1 VAL 443 HA -0.82 0.06 0.37 -0.75 4.13 2.97 2glfB1 VAL 443 HB -0.39 0.03 0.12 -0.04 2.12 1.84 2glfB1 VAL 443 HG13 -0.27 -0.00 -0.08 -0.04 0.97 0.57 2glfB1 VAL 443 HG23 -0.91 0.10 -0.02 -0.04 0.95 0.08 2glfB1 ALA 444 H -0.37 0.45 -0.37 -0.55 8.40 7.57 2glfB1 ALA 444 HA -0.19 0.02 0.43 -0.75 4.34 3.85 2glfB1 ALA 444 HB3 -0.24 -0.00 0.05 -0.04 1.41 1.18 2glfB1 TYR 445 H -0.31 0.62 -0.05 -0.55 8.29 8.01 2glfB1 TYR 445 HA -0.12 -0.02 0.37 -0.75 4.56 4.04 2glfB1 TYR 445 HB2 -0.11 0.08 0.09 -0.04 3.06 3.08 2glfB1 TYR 445 HB3 -0.09 0.00 -0.06 -0.04 2.98 2.79 2glfB1 TYR 445 HD2 -0.07 -0.01 -0.25 -0.04 7.15 6.77 2glfB1 TYR 445 HE2 -0.06 0.01 -0.07 -0.04 6.85 6.69 2glfB1 ARG 446 H -0.18 0.48 -0.18 -0.55 8.46 8.04 2glfB1 ARG 446 HA -0.07 0.09 0.31 -0.75 4.34 3.92 2glfB1 ARG 446 HB2 -0.38 0.02 0.12 -0.04 1.90 1.61 2glfB1 ARG 446 HB3 -0.36 0.02 0.05 -0.04 1.80 1.47 2glfB1 ARG 446 HG2 -0.13 -0.01 -0.13 -0.04 1.67 1.37 2glfB1 ARG 446 HG3 -0.08 0.12 0.02 -0.04 1.67 1.69 2glfB1 ARG 446 HD2 -0.13 -0.04 -0.14 -0.04 3.22 2.87 2glfB1 ARG 446 HD3 -0.36 -0.06 -0.07 -0.04 3.22 2.68 2glfB1 SER 447 H -0.17 0.30 -0.37 -0.55 8.46 7.67 2glfB1 SER 447 HA -0.10 0.02 0.36 -0.75 4.49 4.03 2glfB1 SER 447 HB2 -0.12 0.04 0.08 -0.04 3.95 3.91 2glfB1 SER 447 HB3 -0.10 -0.09 -0.12 -0.04 3.93 3.58 2glfB1 LEU 448 H -0.07 0.51 -0.15 -0.55 8.37 8.11 2glfB1 LEU 448 HA -0.07 -0.08 0.20 -0.75 4.35 3.65 2glfB1 LEU 448 HB2 -0.02 0.16 0.12 -0.04 1.64 1.86 2glfB1 LEU 448 HB3 -0.05 -0.11 0.07 -0.04 1.64 1.51 2glfB1 LEU 448 HG -0.10 0.11 0.02 -0.04 1.64 1.63 2glfB1 LEU 448 HD13 -0.07 -0.03 -0.10 -0.04 0.93 0.69 2glfB1 LEU 448 HD23 -0.16 -0.03 -0.03 -0.04 0.89 0.64 2glfB1 GLU 450 HA -0.02 -0.20 0.31 -0.75 4.29 3.63 2glfB1 GLU 450 HB2 -0.05 0.12 0.13 -0.04 2.09 2.26 2glfB1 GLU 450 HB3 -0.03 -0.08 0.02 -0.04 1.99 1.85 2glfB1 GLU 450 HG2 -0.02 0.12 -0.33 -0.04 2.34 2.08 2glfB1 GLU 450 HG3 -0.03 0.07 0.04 -0.04 2.34 2.38 2glfB1 LYS 451 H -0.04 0.32 -1.08 -0.55 8.42 7.06 2glfB1 LYS 451 HA -0.03 0.19 1.11 -0.75 4.32 4.85 2glfB1 LYS 451 HB2 -0.05 0.24 -0.09 -0.04 1.87 1.93 2glfB1 LYS 451 HB3 -0.05 -0.16 -0.07 -0.04 1.79 1.47 2glfB1 LYS 451 HG2 -0.04 -0.09 -0.06 -0.04 1.46 1.23 2glfB1 LYS 451 HG3 -0.03 -0.09 0.05 -0.04 1.46 1.35 2glfB1 LYS 451 HD2 -0.03 0.49 -0.44 -0.04 1.69 1.66 2glfB1 LYS 451 HD3 -0.04 0.01 -0.24 -0.04 1.68 1.37 2glfB1 LYS 451 HE2 -0.03 -0.08 -0.04 -0.04 2.99 2.80 2glfB1 LYS 451 HE3 -0.02 -0.09 -0.01 -0.04 2.99 2.83 2glfB1 LEU 452 H -0.03 0.58 0.15 -0.55 8.37 8.54 2glfB1 LEU 452 HA -0.03 0.05 0.32 -0.75 4.35 3.94 2glfB1 LEU 452 HB2 0.01 0.23 0.17 -0.04 1.64 2.00 2glfB1 LEU 452 HB3 0.05 -0.10 0.08 -0.04 1.64 1.63 2glfB1 LEU 452 HG -0.06 0.03 0.04 -0.04 1.64 1.61 2glfB1 LEU 452 HD13 0.04 -0.02 -0.03 -0.04 0.93 0.89 2glfB1 LEU 452 HD23 -0.10 -0.02 -0.11 -0.04 0.89 0.62