============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 4 0.840 79.423 -14.817 -10.222 -99.200 -91.000 TRP 5 1.040 72.071 -17.655 -10.843 -99.200 -91.000 TRP6 5 1.020 70.534 -16.139 -11.772 -99.200 -91.000 TRP 8 1.040 72.407 -11.715 -0.410 -99.200 -91.000 TRP6 8 1.020 71.637 -9.503 -0.092 -99.200 -91.000 TYR 25 0.840 69.326 -10.788 -14.852 -99.200 -91.000 TRP 29 1.040 61.234 -6.628 -6.391 -99.200 -91.000 TRP6 29 1.020 62.084 -6.132 -8.533 -99.200 -91.000 PHE 35 1.000 65.552 -8.240 -6.034 -99.200 -91.000 TRP 41 1.040 81.302 -11.903 -19.035 -99.200 -91.000 TRP6 41 1.020 79.981 -9.922 -19.177 -99.200 -91.000 PHE 47 1.000 91.765 -3.296 -20.330 -99.200 -91.000 TYR 52 0.840 71.537 -3.070 -20.251 -99.200 -91.000 TRP 57 1.040 63.767 -0.529 -14.878 -99.200 -91.000 TRP6 57 1.020 64.824 -1.909 -13.277 -99.200 -91.000 TYR 64 0.840 69.723 1.709 -6.710 -99.200 -91.000 TYR 68 0.840 77.153 -5.367 -6.903 -99.200 -91.000 TRP 70 1.040 81.815 -6.933 -4.894 -99.200 -91.000 TRP6 70 1.020 82.191 -5.819 -2.852 -99.200 -91.000 TYR 78 0.840 82.842 -2.633 -10.803 -99.200 -91.000 TYR 79 0.840 75.984 -0.682 -6.623 -99.200 -91.000 TRP 84 1.040 66.424 6.315 -10.812 -99.200 -91.000 TRP6 84 1.020 67.974 7.203 -12.347 -99.200 -91.000 TYR 87 0.840 62.886 8.457 -2.833 -99.200 -91.000 TYR 93 0.840 79.298 16.160 -8.929 -99.200 -91.000 TYR 104 0.840 76.098 6.685 -17.291 -99.200 -91.000 TYR 107 0.840 76.414 10.816 -7.168 -99.200 -91.000 TYR 112 0.840 84.139 4.498 7.289 -99.200 -91.000 PHE 124 1.000 83.234 -2.380 0.944 -99.200 -91.000 TYR 127 0.840 86.251 3.585 -6.835 -99.200 -91.000 TRP 128 1.040 77.786 4.453 -5.597 -99.200 -91.000 TRP6 128 1.020 75.834 3.166 -5.579 -99.200 -91.000 PHE 145 1.000 83.800 -1.175 -15.371 -99.200 -91.000 HIS 148 0.900 80.474 4.549 -16.927 -99.200 -91.000 TRP 152 1.040 84.040 5.624 -11.982 -99.200 -91.000 TRP6 152 1.020 83.442 3.344 -11.795 -99.200 -91.000 HIS 155 0.900 86.413 13.017 -11.720 -99.200 -91.000 TRP 163 1.040 90.172 -6.284 -12.584 -99.200 -91.000 TRP6 163 1.020 88.530 -4.634 -12.942 -99.200 -91.000 TYR 165 0.840 80.084 -10.656 -7.559 -99.200 -91.000 TYR 173 0.840 66.374 0.366 -1.629 -99.200 -91.000 TRP 184 1.040 75.159 -9.560 -26.622 -99.200 -91.000 TRP6 184 1.020 73.016 -8.616 -26.225 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b42B1 SER 2 HA 0.25 -0.11 0.25 -0.75 4.49 4.13 2b42B1 SER 2 HB2 0.11 0.03 0.01 -0.04 3.95 4.06 2b42B1 SER 2 HB3 0.14 -0.04 0.07 -0.04 3.93 4.06 2b42B1 THR 3 H 0.03 0.06 0.07 -0.55 8.28 7.89 2b42B1 THR 3 HA -0.75 0.06 0.50 -0.75 4.39 3.45 2b42B1 THR 3 HB -0.37 0.09 0.18 -0.04 4.32 4.18 2b42B1 THR 3 HG23 -0.65 -0.02 -0.10 -0.04 1.22 0.40 2b42B1 ASP 4 H -0.15 0.22 0.44 -0.55 8.40 8.36 2b42B1 ASP 4 HA 0.05 0.26 0.97 -0.75 4.63 5.16 2b42B1 ASP 4 HB2 0.12 -0.00 0.21 -0.04 2.71 2.99 2b42B1 ASP 4 HB3 0.13 0.10 -0.03 -0.04 2.70 2.86 2b42B1 TYR 5 H 0.03 0.36 0.09 -0.55 8.29 8.22 2b42B1 TYR 5 HA 0.06 0.21 0.91 -0.75 4.56 4.98 2b42B1 TYR 5 HB2 0.07 -0.10 -0.44 -0.04 3.06 2.54 2b42B1 TYR 5 HB3 0.00 -0.11 -0.49 -0.04 2.98 2.35 2b42B1 TYR 5 HD2 -0.03 -0.01 -0.25 -0.04 7.15 6.83 2b42B1 TYR 5 HE2 -0.49 -0.00 -0.12 -0.04 6.85 6.19 2b42B1 TRP 6 H -0.47 0.23 0.05 -0.55 7.97 7.23 2b42B1 TRP 6 HA -0.25 0.24 0.85 -0.75 4.62 4.70 2b42B1 TRP 6 HB2 -0.16 0.04 -0.10 -0.04 3.23 2.97 2b42B1 TRP 6 HB3 -0.26 -0.02 0.13 -0.04 3.23 3.04 2b42B1 TRP 6 HD1 -0.13 -0.02 -0.03 -0.04 7.22 7.00 2b42B1 TRP 6 HE1 -0.07 -0.00 -0.07 -0.04 10.20 10.01 2b42B1 TRP 6 HE3 -0.18 0.04 -0.03 -0.04 7.59 7.39 2b42B1 TRP 6 HZ2 -0.04 -0.00 -0.25 -0.04 7.44 7.11 2b42B1 TRP 6 HZ3 -0.23 -0.05 -0.13 -0.04 7.13 6.67 2b42B1 TRP 6 HH2 0.01 -0.03 -0.30 -0.04 7.19 6.82 2b42B1 GLN 7 H -0.41 0.60 0.20 -0.55 8.47 8.31 2b42B1 GLN 7 HA -0.55 0.08 0.70 -0.75 4.36 3.83 2b42B1 GLN 7 HB2 -0.23 -0.02 -0.10 -0.04 2.15 1.76 2b42B1 GLN 7 HB3 -0.27 -0.01 0.03 -0.04 2.02 1.73 2b42B1 GLN 7 HG2 -0.00 -0.02 -0.30 -0.04 2.40 2.03 2b42B1 GLN 7 HG3 -0.18 0.13 -0.52 -0.04 2.39 1.78 2b42B1 GLN 7 HE21 0.06 0.01 -0.09 -0.04 6.97 6.90 2b42B1 GLN 7 HE22 0.10 0.10 -0.05 -0.04 7.69 7.81 2b42B1 ASN 8 H -0.38 0.15 -0.01 -0.55 8.53 7.75 2b42B1 ASN 8 HA -0.45 0.14 0.72 -0.75 4.76 4.42 2b42B1 ASN 8 HB2 -1.57 0.07 -0.33 -0.04 2.88 1.01 2b42B1 ASN 8 HB3 -0.48 0.00 0.05 -0.04 2.79 2.32 2b42B1 ASN 8 HD21 0.09 -0.00 -0.04 -0.04 7.03 7.04 2b42B1 ASN 8 HD22 0.23 0.00 -0.04 -0.04 7.74 7.89 2b42B1 TRP 9 H 0.07 0.69 0.26 -0.55 7.97 8.44 2b42B1 TRP 9 HA -0.09 0.20 1.04 -0.75 4.62 5.02 2b42B1 TRP 9 HB2 -0.08 0.01 -0.05 -0.04 3.23 3.07 2b42B1 TRP 9 HB3 -0.06 -0.03 0.11 -0.04 3.23 3.20 2b42B1 TRP 9 HD1 -0.03 0.02 0.04 -0.04 7.22 7.20 2b42B1 TRP 9 HE1 -0.00 0.02 -0.07 -0.04 10.20 10.11 2b42B1 TRP 9 HE3 -0.04 -0.11 -0.15 -0.04 7.59 7.25 2b42B1 TRP 9 HZ2 0.01 0.03 -0.11 -0.04 7.44 7.32 2b42B1 TRP 9 HZ3 -0.04 -0.02 -0.31 -0.04 7.13 6.71 2b42B1 TRP 9 HH2 0.00 -0.01 -0.14 -0.04 7.19 7.01 2b42B1 THR 10 H -0.65 0.29 0.21 -0.55 8.28 7.59 2b42B1 THR 10 HA -0.95 0.25 0.87 -0.75 4.39 3.81 2b42B1 THR 10 HB -0.30 0.04 -0.07 -0.04 4.32 3.96 2b42B1 THR 10 HG23 -0.24 0.02 -0.01 -0.04 1.22 0.95 2b42B1 ASP 11 H -0.69 0.46 0.32 -0.55 8.40 7.94 2b42B1 ASP 11 HA -0.26 0.23 0.88 -0.75 4.63 4.74 2b42B1 ASP 11 HB2 0.03 0.05 0.21 -0.04 2.71 2.96 2b42B1 ASP 11 HB3 -0.10 0.04 0.11 -0.04 2.70 2.70 2b42B1 GLY 12 H -0.27 0.04 -0.12 -0.55 8.43 7.54 2b42B1 GLY 12 HA2 -0.12 0.05 0.21 -0.51 4.01 3.65 2b42B1 GLY 12 HA3 -0.08 0.16 0.38 -0.51 4.01 3.96 2b42B1 GLY 13 H -0.08 -0.11 -0.23 -0.55 8.43 7.46 2b42B1 GLY 13 HA2 -0.01 0.12 0.51 -0.51 4.01 4.12 2b42B1 GLY 13 HA3 -0.01 -0.12 0.30 -0.51 4.01 3.68 2b42B1 GLY 14 H 0.01 0.07 0.18 -0.55 8.43 8.14 2b42B1 GLY 14 HA2 0.02 -0.02 0.33 -0.51 4.01 3.83 2b42B1 GLY 14 HA3 0.04 0.25 0.27 -0.51 4.01 4.07 2b42B1 ILE 15 H 0.04 0.44 0.23 -0.55 8.25 8.40 2b42B1 ILE 15 HA -0.02 0.16 0.71 -0.75 4.18 4.28 2b42B1 ILE 15 HB 0.01 -0.07 0.11 -0.04 1.89 1.90 2b42B1 ILE 15 HG12 -0.00 0.04 -0.26 -0.04 1.49 1.22 2b42B1 ILE 15 HG13 0.01 0.02 0.02 -0.04 1.21 1.22 2b42B1 ILE 15 HG23 -0.01 0.01 -0.11 -0.04 0.93 0.78 2b42B1 ILE 15 HD13 -0.00 0.00 -0.04 -0.04 0.88 0.80 2b42B1 VAL 16 H -0.06 0.28 0.04 -0.55 8.24 7.95 2b42B1 VAL 16 HA -0.11 0.18 0.82 -0.75 4.13 4.27 2b42B1 VAL 16 HB -0.19 -0.00 0.09 -0.04 2.12 1.97 2b42B1 VAL 16 HG13 -0.57 -0.01 -0.22 -0.04 0.97 0.13 2b42B1 VAL 16 HG23 -0.23 0.01 -0.32 -0.04 0.95 0.37 2b42B1 ASN 17 H -0.00 0.66 0.16 -0.55 8.53 8.80 2b42B1 ASN 17 HA 0.00 0.14 0.93 -0.75 4.76 5.08 2b42B1 ASN 17 HB2 0.02 0.02 0.18 -0.04 2.88 3.07 2b42B1 ASN 17 HB3 0.03 0.01 0.00 -0.04 2.79 2.79 2b42B1 ASN 17 HD21 -0.00 -0.00 -0.08 -0.04 7.03 6.91 2b42B1 ASN 17 HD22 0.01 0.01 -0.06 -0.04 7.74 7.66 2b42B1 ALA 18 H 0.05 0.27 0.08 -0.55 8.40 8.26 2b42B1 ALA 18 HA 0.18 0.28 1.00 -0.75 4.34 5.04 2b42B1 ALA 18 HB3 0.15 -0.00 -0.04 -0.04 1.41 1.48 2b42B1 VAL 19 H 0.26 0.60 0.29 -0.55 8.24 8.83 2b42B1 VAL 19 HA 0.04 0.14 0.80 -0.75 4.13 4.36 2b42B1 VAL 19 HB 0.10 -0.09 0.15 -0.04 2.12 2.25 2b42B1 VAL 19 HG13 -0.01 0.00 -0.29 -0.04 0.97 0.62 2b42B1 VAL 19 HG23 0.05 0.01 -0.18 -0.04 0.95 0.79 2b42B1 ASN 20 H -0.31 0.19 0.10 -0.55 8.53 7.96 2b42B1 ASN 20 HA -0.99 0.10 0.80 -0.75 4.76 3.91 2b42B1 ASN 20 HB2 -1.85 -0.03 0.10 -0.04 2.88 1.06 2b42B1 ASN 20 HB3 -0.65 -0.03 0.21 -0.04 2.79 2.29 2b42B1 ASN 20 HD21 -0.60 -0.00 -0.05 -0.04 7.03 6.34 2b42B1 ASN 20 HD22 -1.66 -0.04 -0.01 -0.04 7.74 5.99 2b42B1 GLY 21 H -0.12 0.42 0.21 -0.55 8.43 8.39 2b42B1 GLY 21 HA2 -0.08 0.05 0.46 -0.51 4.01 3.92 2b42B1 GLY 21 HA3 -0.03 -0.06 0.22 -0.51 4.01 3.63 2b42B1 SER 22 H -0.03 0.06 0.11 -0.55 8.46 8.06 2b42B1 SER 22 HA -0.05 0.11 0.40 -0.75 4.49 4.21 2b42B1 SER 22 HB2 -0.02 -0.04 0.15 -0.04 3.95 4.00 2b42B1 SER 22 HB3 -0.02 0.02 -0.03 -0.04 3.93 3.85 2b42B1 GLY 23 H -0.03 0.15 0.19 -0.55 8.43 8.20 2b42B1 GLY 23 HA2 0.00 0.07 0.41 -0.51 4.01 3.98 2b42B1 GLY 23 HA3 0.01 -0.02 0.63 -0.51 4.01 4.13 2b42B1 GLY 24 H 0.06 0.13 0.30 -0.55 8.43 8.37 2b42B1 GLY 24 HA2 0.07 0.12 0.52 -0.51 4.01 4.21 2b42B1 GLY 24 HA3 0.15 0.30 0.52 -0.51 4.01 4.47 2b42B1 ASN 25 H 0.06 0.34 -0.39 -0.55 8.53 7.99 2b42B1 ASN 25 HA 0.11 0.25 0.86 -0.75 4.76 5.23 2b42B1 ASN 25 HB2 0.05 -0.03 0.08 -0.04 2.88 2.93 2b42B1 ASN 25 HB3 0.03 -0.08 0.08 -0.04 2.79 2.77 2b42B1 ASN 25 HD21 0.03 -0.05 -0.11 -0.04 7.03 6.85 2b42B1 ASN 25 HD22 0.05 -0.02 -0.19 -0.04 7.74 7.54 2b42B1 TYR 26 H -0.01 0.69 0.48 -0.55 8.29 8.90 2b42B1 TYR 26 HA 0.06 0.13 0.64 -0.75 4.56 4.64 2b42B1 TYR 26 HB2 0.42 0.11 0.18 -0.04 3.06 3.73 2b42B1 TYR 26 HB3 0.27 0.04 -0.07 -0.04 2.98 3.18 2b42B1 TYR 26 HD2 0.24 0.07 -0.21 -0.04 7.15 7.21 2b42B1 TYR 26 HE2 0.16 0.03 -0.04 -0.04 6.85 6.95 2b42B1 SER 27 H 0.31 0.44 0.35 -0.55 8.46 9.01 2b42B1 SER 27 HA 0.15 0.15 0.70 -0.75 4.49 4.73 2b42B1 SER 27 HB2 0.12 0.12 0.20 -0.04 3.95 4.35 2b42B1 SER 27 HB3 0.09 -0.03 0.04 -0.04 3.93 3.98 2b42B1 VAL 28 H 0.28 0.54 0.30 -0.55 8.24 8.82 2b42B1 VAL 28 HA 0.20 0.30 0.80 -0.75 4.13 4.68 2b42B1 VAL 28 HB 0.48 -0.05 -0.11 -0.04 2.12 2.40 2b42B1 VAL 28 HG13 -0.19 0.00 -0.27 -0.04 0.97 0.47 2b42B1 VAL 28 HG23 0.38 0.00 -0.24 -0.04 0.95 1.05 2b42B1 ASN 29 H 0.14 0.64 0.25 -0.55 8.53 9.01 2b42B1 ASN 29 HA 0.06 0.27 0.95 -0.75 4.76 5.28 2b42B1 ASN 29 HB2 0.05 0.00 0.17 -0.04 2.88 3.06 2b42B1 ASN 29 HB3 -0.00 0.01 0.07 -0.04 2.79 2.82 2b42B1 ASN 29 HD21 0.03 -0.00 -0.06 -0.04 7.03 6.95 2b42B1 ASN 29 HD22 0.04 0.00 -0.05 -0.04 7.74 7.68 2b42B1 TRP 30 H -0.16 0.80 0.36 -0.55 7.97 8.42 2b42B1 TRP 30 HA -0.11 0.26 0.92 -0.75 4.62 4.94 2b42B1 TRP 30 HB2 -0.14 0.11 0.06 -0.04 3.23 3.22 2b42B1 TRP 30 HB3 -0.37 -0.06 -0.24 -0.04 3.23 2.52 2b42B1 TRP 30 HD1 0.11 0.14 -0.44 -0.04 7.22 6.98 2b42B1 TRP 30 HE1 0.08 0.02 -0.62 -0.04 10.20 9.65 2b42B1 TRP 30 HE3 0.01 -0.08 -0.58 -0.04 7.59 6.90 2b42B1 TRP 30 HZ2 -0.03 0.08 -0.28 -0.04 7.44 7.16 2b42B1 TRP 30 HZ3 0.18 0.01 -0.56 -0.04 7.13 6.73 2b42B1 TRP 30 HH2 -0.12 0.04 -0.33 -0.04 7.19 6.74 2b42B1 SER 31 H 0.15 0.61 0.31 -0.55 8.46 8.98 2b42B1 SER 31 HA -0.04 0.02 0.85 -0.75 4.49 4.56 2b42B1 SER 31 HB2 -0.03 0.02 0.10 -0.04 3.95 3.99 2b42B1 SER 31 HB3 -0.06 0.05 -0.11 -0.04 3.93 3.77 2b42B1 ASN 32 H 0.06 0.16 0.03 -0.55 8.53 8.24 2b42B1 ASN 32 HA 0.07 0.05 0.24 -0.75 4.76 4.37 2b42B1 ASN 32 HB2 0.02 -0.04 -0.16 -0.04 2.88 2.66 2b42B1 ASN 32 HB3 0.04 0.06 -0.03 -0.04 2.79 2.82 2b42B1 ASN 32 HD21 0.02 0.00 0.03 -0.04 7.03 7.04 2b42B1 ASN 32 HD22 0.02 -0.03 0.06 -0.04 7.74 7.75 2b42B1 THR 33 H 0.25 0.48 -0.08 -0.55 8.28 8.38 2b42B1 THR 33 HA 0.10 0.24 -0.10 -0.75 4.39 3.87 2b42B1 THR 33 HB 0.14 -0.12 -0.38 -0.04 4.32 3.92 2b42B1 THR 33 HG23 0.24 0.02 -0.29 -0.04 1.22 1.15 2b42B1 GLY 34 H 0.04 0.16 0.00 -0.55 8.43 8.08 2b42B1 GLY 34 HA2 0.08 0.15 0.61 -0.51 4.01 4.34 2b42B1 GLY 34 HA3 0.03 0.02 0.42 -0.51 4.01 3.96 2b42B1 ASN 35 H -0.05 0.08 0.20 -0.55 8.53 8.21 2b42B1 ASN 35 HA 0.01 0.48 1.08 -0.75 4.76 5.57 2b42B1 ASN 35 HB2 0.09 -0.03 -0.26 -0.04 2.88 2.64 2b42B1 ASN 35 HB3 0.09 -0.07 0.03 -0.04 2.79 2.80 2b42B1 ASN 35 HD21 0.19 0.02 -0.12 -0.04 7.03 7.08 2b42B1 ASN 35 HD22 0.33 -0.03 -0.10 -0.04 7.74 7.91 2b42B1 PHE 36 H -0.38 0.59 0.35 -0.55 8.34 8.34 2b42B1 PHE 36 HA -0.39 0.17 0.65 -0.75 4.62 4.30 2b42B1 PHE 36 HB2 -0.28 0.15 0.11 -0.04 3.15 3.09 2b42B1 PHE 36 HB3 -0.32 -0.07 -0.16 -0.04 3.06 2.47 2b42B1 PHE 36 HD2 -0.31 -0.00 -0.38 -0.04 7.28 6.55 2b42B1 PHE 36 HE2 -1.36 0.02 -0.28 -0.04 7.38 5.71 2b42B1 PHE 36 HZ -2.53 0.02 -0.36 -0.04 7.32 4.42 2b42B1 VAL 37 H 0.28 0.63 0.27 -0.55 8.24 8.87 2b42B1 VAL 37 HA -0.10 0.29 0.92 -0.75 4.13 4.48 2b42B1 VAL 37 HB 0.19 -0.07 0.05 -0.04 2.12 2.25 2b42B1 VAL 37 HG13 -0.18 -0.00 -0.26 -0.04 0.97 0.48 2b42B1 VAL 37 HG23 0.03 -0.01 -0.24 -0.04 0.95 0.69 2b42B1 VAL 38 H 0.04 0.74 0.25 -0.55 8.24 8.72 2b42B1 VAL 38 HA -0.37 0.30 0.76 -0.75 4.13 4.07 2b42B1 VAL 38 HB 0.12 -0.03 0.02 -0.04 2.12 2.19 2b42B1 VAL 38 HG13 -0.41 0.03 -0.13 -0.04 0.97 0.42 2b42B1 VAL 38 HG23 -0.08 -0.02 -0.19 -0.04 0.95 0.62 2b42B1 GLY 39 H -0.60 0.56 0.23 -0.55 8.43 8.07 2b42B1 GLY 39 HA2 -0.87 0.12 0.42 -0.51 4.01 3.17 2b42B1 GLY 39 HA3 -0.17 -0.00 0.18 -0.51 4.01 3.50 2b42B1 LYS 40 H -0.03 0.33 0.23 -0.55 8.42 8.40 2b42B1 LYS 40 HA 0.06 0.31 1.07 -0.75 4.32 5.01 2b42B1 LYS 40 HB2 0.32 0.02 0.16 -0.04 1.87 2.33 2b42B1 LYS 40 HB3 0.03 -0.00 0.08 -0.04 1.79 1.86 2b42B1 LYS 40 HG2 0.24 0.08 0.06 -0.04 1.46 1.81 2b42B1 LYS 40 HG3 0.39 -0.10 -0.16 -0.04 1.46 1.55 2b42B1 LYS 40 HD2 0.26 -0.02 -0.64 -0.04 1.69 1.25 2b42B1 LYS 40 HD3 0.10 -0.04 -0.05 -0.04 1.68 1.65 2b42B1 LYS 40 HE2 -0.05 -0.02 -0.07 -0.04 2.99 2.80 2b42B1 LYS 40 HE3 -0.18 -0.15 -0.06 -0.04 2.99 2.56 2b42B1 GLY 41 H -0.05 0.44 0.11 -0.55 8.43 8.38 2b42B1 GLY 41 HA2 -1.09 0.05 0.29 -0.51 4.01 2.75 2b42B1 GLY 41 HA3 -0.14 0.26 0.85 -0.51 4.01 4.46 2b42B1 TRP 42 H 0.39 0.73 0.30 -0.55 7.97 8.85 2b42B1 TRP 42 HA 0.13 -0.02 0.97 -0.75 4.62 4.94 2b42B1 TRP 42 HB2 0.05 0.05 -0.09 -0.04 3.23 3.20 2b42B1 TRP 42 HB3 0.05 0.02 -0.01 -0.04 3.23 3.26 2b42B1 TRP 42 HD1 0.08 0.05 0.04 -0.04 7.22 7.34 2b42B1 TRP 42 HE1 0.10 0.23 -0.23 -0.04 10.20 10.25 2b42B1 TRP 42 HE3 0.05 0.18 0.08 -0.04 7.59 7.86 2b42B1 TRP 42 HZ2 0.08 -0.08 -0.05 -0.04 7.44 7.36 2b42B1 TRP 42 HZ3 0.02 -0.03 -0.06 -0.04 7.13 7.02 2b42B1 TRP 42 HH2 0.02 0.05 0.05 -0.04 7.19 7.26 2b42B1 THR 43 H 0.23 0.18 0.06 -0.55 8.28 8.19 2b42B1 THR 43 HA -0.29 0.00 0.32 -0.75 4.39 3.67 2b42B1 THR 43 HB 0.12 0.01 0.05 -0.04 4.32 4.46 2b42B1 THR 43 HG23 0.06 0.01 -0.05 -0.04 1.22 1.19 2b42B1 THR 44 H 0.17 0.06 -0.23 -0.55 8.28 7.74 2b42B1 THR 44 HA 0.13 0.26 0.67 -0.75 4.39 4.69 2b42B1 THR 44 HB 0.07 -0.07 0.10 -0.04 4.32 4.39 2b42B1 THR 44 HG23 0.10 0.09 -0.01 -0.04 1.22 1.35 2b42B1 GLY 45 H 0.24 0.65 -0.06 -0.55 8.43 8.72 2b42B1 GLY 45 HA2 0.07 -0.03 0.32 -0.51 4.01 3.85 2b42B1 GLY 45 HA3 0.32 0.07 0.22 -0.51 4.01 4.11 2b42B1 SER 46 H -0.29 0.21 0.17 -0.55 8.46 8.01 2b42B1 SER 46 HA -1.14 0.26 0.65 -0.75 4.49 3.51 2b42B1 SER 46 HB2 -0.36 0.18 -0.03 -0.04 3.95 3.70 2b42B1 SER 46 HB3 -0.37 -0.06 0.05 -0.04 3.93 3.51 2b42B1 PRO 47 HA -0.38 0.12 0.52 -0.51 4.44 4.18 2b42B1 PRO 47 HB2 -0.64 0.02 -0.03 -0.04 2.28 1.59 2b42B1 PRO 47 HB3 -0.27 0.07 0.03 -0.04 2.02 1.80 2b42B1 PRO 47 HG2 -1.93 0.02 -0.01 -0.04 2.03 0.07 2b42B1 PRO 47 HG3 -0.57 0.13 0.00 -0.04 2.03 1.56 2b42B1 PRO 47 HD2 -1.27 0.10 0.18 -0.04 3.68 2.64 2b42B1 PRO 47 HD3 -2.47 0.23 0.05 -0.04 3.65 1.41 2b42B1 PHE 48 H -0.75 0.08 -0.31 -0.55 8.34 6.80 2b42B1 PHE 48 HA -0.15 0.14 0.72 -0.75 4.62 4.57 2b42B1 PHE 48 HB2 -0.17 0.03 -0.05 -0.04 3.15 2.92 2b42B1 PHE 48 HB3 -0.13 0.01 0.09 -0.04 3.06 2.99 2b42B1 PHE 48 HD2 -0.16 0.03 -0.09 -0.04 7.28 7.01 2b42B1 PHE 48 HE2 -0.12 0.04 -0.05 -0.04 7.38 7.20 2b42B1 PHE 48 HZ -0.08 0.04 -0.04 -0.04 7.32 7.20 2b42B1 ARG 49 H -0.20 0.19 -0.31 -0.55 8.46 7.59 2b42B1 ARG 49 HA -0.19 0.07 0.52 -0.75 4.34 4.00 2b42B1 ARG 49 HB2 -0.35 -0.02 0.11 -0.04 1.90 1.60 2b42B1 ARG 49 HB3 -0.26 -0.02 -0.05 -0.04 1.80 1.43 2b42B1 ARG 49 HG2 -0.54 0.14 -0.16 -0.04 1.67 1.07 2b42B1 ARG 49 HG3 -0.58 0.01 0.04 -0.04 1.67 1.09 2b42B1 ARG 49 HD2 -0.97 -0.04 -0.07 -0.04 3.22 2.09 2b42B1 ARG 49 HD3 -2.84 0.04 -0.05 -0.04 3.22 0.32 2b42B1 THR 50 H -0.13 0.22 0.22 -0.55 8.28 8.04 2b42B1 THR 50 HA -0.03 0.12 0.83 -0.75 4.39 4.56 2b42B1 THR 50 HB -0.05 0.01 0.18 -0.04 4.32 4.42 2b42B1 THR 50 HG23 -0.04 -0.01 -0.15 -0.04 1.22 0.98 2b42B1 ILE 51 H -0.00 0.54 0.23 -0.55 8.25 8.46 2b42B1 ILE 51 HA 0.11 0.22 0.82 -0.75 4.18 4.57 2b42B1 ILE 51 HB 0.10 -0.05 0.20 -0.04 1.89 2.09 2b42B1 ILE 51 HG12 0.32 0.00 -0.09 -0.04 1.49 1.68 2b42B1 ILE 51 HG13 -0.07 0.04 -0.22 -0.04 1.21 0.92 2b42B1 ILE 51 HG23 0.27 0.00 -0.17 -0.04 0.93 0.99 2b42B1 ILE 51 HD13 -0.07 0.00 -0.11 -0.04 0.88 0.66 2b42B1 ASN 52 H -0.21 0.68 0.23 -0.55 8.53 8.69 2b42B1 ASN 52 HA -0.35 0.29 1.10 -0.75 4.76 5.04 2b42B1 ASN 52 HB2 -1.98 -0.07 0.13 -0.04 2.88 0.91 2b42B1 ASN 52 HB3 -1.10 0.01 0.07 -0.04 2.79 1.72 2b42B1 ASN 52 HD21 -0.08 -0.01 -0.06 -0.04 7.03 6.84 2b42B1 ASN 52 HD22 -0.38 0.01 0.06 -0.04 7.74 7.39 2b42B1 TYR 53 H -0.53 0.69 0.41 -0.55 8.29 8.31 2b42B1 TYR 53 HA -0.22 0.30 0.70 -0.75 4.56 4.59 2b42B1 TYR 53 HB2 0.04 -0.00 0.02 -0.04 3.06 3.08 2b42B1 TYR 53 HB3 -0.04 0.02 -0.22 -0.04 2.98 2.70 2b42B1 TYR 53 HD2 0.00 -0.05 -0.38 -0.04 7.15 6.69 2b42B1 TYR 53 HE2 -0.00 -0.01 -0.13 -0.04 6.85 6.66 2b42B1 ASN 54 H 0.38 0.48 0.29 -0.55 8.53 9.13 2b42B1 ASN 54 HA 0.04 0.28 0.80 -0.75 4.76 5.12 2b42B1 ASN 54 HB2 0.33 -0.01 -0.17 -0.04 2.88 2.99 2b42B1 ASN 54 HB3 0.29 -0.04 0.13 -0.04 2.79 3.13 2b42B1 ASN 54 HD21 0.09 0.31 -0.23 -0.04 7.03 7.16 2b42B1 ASN 54 HD22 0.15 -0.08 -0.22 -0.04 7.74 7.54 2b42B1 ALA 55 H 0.23 0.24 0.04 -0.55 8.40 8.35 2b42B1 ALA 55 HA 0.18 0.23 0.97 -0.75 4.34 4.96 2b42B1 ALA 55 HB3 0.21 0.02 0.06 -0.04 1.41 1.66 2b42B1 GLY 56 H 0.13 0.32 0.06 -0.55 8.43 8.39 2b42B1 GLY 56 HA2 0.10 0.04 0.41 -0.51 4.01 4.05 2b42B1 GLY 56 HA3 0.09 -0.00 0.31 -0.51 4.01 3.89 2b42B1 VAL 57 H 0.14 0.31 0.05 -0.55 8.24 8.19 2b42B1 VAL 57 HA 0.13 0.24 0.88 -0.75 4.13 4.63 2b42B1 VAL 57 HB 0.13 -0.17 -0.12 -0.04 2.12 1.92 2b42B1 VAL 57 HG13 0.04 0.02 -0.30 -0.04 0.97 0.70 2b42B1 VAL 57 HG23 0.06 0.01 -0.18 -0.04 0.95 0.80 2b42B1 TRP 58 H 0.23 0.28 -0.02 -0.55 7.97 7.90 2b42B1 TRP 58 HA 0.11 0.12 0.63 -0.75 4.62 4.72 2b42B1 TRP 58 HB2 0.10 -0.00 -0.05 -0.04 3.23 3.24 2b42B1 TRP 58 HB3 0.06 0.02 0.14 -0.04 3.23 3.41 2b42B1 TRP 58 HD1 0.01 0.02 0.01 -0.04 7.22 7.21 2b42B1 TRP 58 HE1 0.02 0.20 -0.09 -0.04 10.20 10.29 2b42B1 TRP 58 HE3 0.19 0.05 0.12 -0.04 7.59 7.91 2b42B1 TRP 58 HZ2 0.26 0.03 -0.49 -0.04 7.44 7.20 2b42B1 TRP 58 HZ3 0.29 -0.04 -0.12 -0.04 7.13 7.22 2b42B1 TRP 58 HH2 0.25 0.03 -0.53 -0.04 7.19 6.89 2b42B1 ALA 59 H -0.40 0.53 0.04 -0.55 8.40 8.02 2b42B1 ALA 59 HA -0.31 0.24 0.83 -0.75 4.34 4.34 2b42B1 ALA 59 HB3 -0.18 -0.02 0.00 -0.04 1.41 1.17 2b42B1 PRO 60 HA -0.45 0.09 0.85 -0.51 4.44 4.41 2b42B1 PRO 60 HB2 -0.06 0.13 -0.11 -0.04 2.28 2.20 2b42B1 PRO 60 HB3 -0.35 -0.03 -0.09 -0.04 2.02 1.52 2b42B1 PRO 60 HG2 -0.19 0.01 0.09 -0.04 2.03 1.90 2b42B1 PRO 60 HG3 -0.33 0.10 -0.16 -0.04 2.03 1.59 2b42B1 PRO 60 HD2 -0.51 0.17 0.14 -0.04 3.68 3.44 2b42B1 PRO 60 HD3 -1.76 0.04 -0.23 -0.04 3.65 1.66 2b42B1 ASN 61 H -0.27 0.74 0.25 -0.55 8.53 8.71 2b42B1 ASN 61 HA -0.10 0.11 0.72 -0.75 4.76 4.73 2b42B1 ASN 61 HB2 -0.22 -0.01 0.13 -0.04 2.88 2.74 2b42B1 ASN 61 HB3 -0.10 -0.04 0.14 -0.04 2.79 2.75 2b42B1 ASN 61 HD21 -0.16 0.01 -0.10 -0.04 7.03 6.73 2b42B1 ASN 61 HD22 -0.24 -0.04 -0.12 -0.04 7.74 7.29 2b42B1 GLY 62 H -0.01 0.19 0.07 -0.55 8.43 8.14 2b42B1 GLY 62 HA2 0.04 0.03 0.42 -0.51 4.01 3.99 2b42B1 GLY 62 HA3 0.02 0.22 0.83 -0.51 4.01 4.58 2b42B1 ASN 63 H -0.10 0.33 0.14 -0.55 8.53 8.35 2b42B1 ASN 63 HA 0.02 -0.09 0.63 -0.75 4.76 4.57 2b42B1 ASN 63 HB2 -1.05 0.30 0.16 -0.04 2.88 2.24 2b42B1 ASN 63 HB3 -1.17 -0.00 -0.05 -0.04 2.79 1.52 2b42B1 ASN 63 HD21 0.07 0.01 -0.01 -0.04 7.03 7.06 2b42B1 ASN 63 HD22 -0.17 0.11 0.05 -0.04 7.74 7.68 2b42B1 GLY 64 H 0.18 0.18 0.31 -0.55 8.43 8.55 2b42B1 GLY 64 HA2 -0.11 0.13 0.44 -0.51 4.01 3.95 2b42B1 GLY 64 HA3 0.25 0.05 0.46 -0.51 4.01 4.26 2b42B1 TYR 65 H 0.20 0.56 0.33 -0.55 8.29 8.84 2b42B1 TYR 65 HA 0.47 0.25 1.09 -0.75 4.56 5.62 2b42B1 TYR 65 HB2 0.25 -0.08 0.04 -0.04 3.06 3.23 2b42B1 TYR 65 HB3 0.30 0.05 -0.01 -0.04 2.98 3.28 2b42B1 TYR 65 HD2 0.32 0.08 -0.12 -0.04 7.15 7.38 2b42B1 TYR 65 HE2 0.16 0.10 -0.09 -0.04 6.85 6.98 2b42B1 LEU 66 H 0.10 0.78 0.28 -0.55 8.37 8.98 2b42B1 LEU 66 HA -0.16 0.28 0.97 -0.75 4.35 4.69 2b42B1 LEU 66 HB2 -2.09 0.02 0.03 -0.04 1.64 -0.44 2b42B1 LEU 66 HB3 -0.83 -0.08 0.23 -0.04 1.64 0.91 2b42B1 LEU 66 HG -0.37 -0.06 -0.17 -0.04 1.64 1.00 2b42B1 LEU 66 HD13 -0.30 0.03 -0.07 -0.04 0.93 0.55 2b42B1 LEU 66 HD23 -0.49 0.00 -0.03 -0.04 0.89 0.33 2b42B1 THR 67 H 0.04 0.67 0.22 -0.55 8.28 8.65 2b42B1 THR 67 HA 0.11 0.14 1.06 -0.75 4.39 4.95 2b42B1 THR 67 HB 0.30 -0.05 -0.38 -0.04 4.32 4.15 2b42B1 THR 67 HG23 0.34 -0.00 -0.27 -0.04 1.22 1.24 2b42B1 LEU 68 H 0.09 0.44 0.33 -0.55 8.37 8.68 2b42B1 LEU 68 HA 0.06 0.20 0.87 -0.75 4.35 4.72 2b42B1 LEU 68 HB2 0.03 0.01 0.17 -0.04 1.64 1.80 2b42B1 LEU 68 HB3 0.05 -0.13 0.15 -0.04 1.64 1.67 2b42B1 LEU 68 HG -0.00 0.04 -0.15 -0.04 1.64 1.48 2b42B1 LEU 68 HD13 0.06 0.03 -0.14 -0.04 0.93 0.84 2b42B1 LEU 68 HD23 -0.41 -0.01 -0.12 -0.04 0.89 0.31 2b42B1 TYR 69 H 0.05 0.67 0.35 -0.55 8.29 8.81 2b42B1 TYR 69 HA -0.51 0.33 0.88 -0.75 4.56 4.51 2b42B1 TYR 69 HB2 -0.25 0.03 -0.24 -0.04 3.06 2.56 2b42B1 TYR 69 HB3 -0.12 -0.07 -0.05 -0.04 2.98 2.70 2b42B1 TYR 69 HD2 -0.86 0.01 -0.12 -0.04 7.15 6.14 2b42B1 TYR 69 HE2 -0.29 -0.03 -0.14 -0.04 6.85 6.35 2b42B1 GLY 70 H -1.60 0.55 0.30 -0.55 8.43 7.14 2b42B1 GLY 70 HA2 -0.77 0.08 0.53 -0.51 4.01 3.34 2b42B1 GLY 70 HA3 -1.00 0.04 0.38 -0.51 4.01 2.93 2b42B1 TRP 71 H -0.42 0.58 0.22 -0.55 7.97 7.80 2b42B1 TRP 71 HA -0.60 0.35 1.02 -0.75 4.62 4.64 2b42B1 TRP 71 HB2 -0.70 -0.12 0.05 -0.04 3.23 2.41 2b42B1 TRP 71 HB3 -0.51 0.07 0.08 -0.04 3.23 2.83 2b42B1 TRP 71 HD1 -1.54 -0.04 -0.25 -0.04 7.22 5.35 2b42B1 TRP 71 HE1 -0.27 0.00 -0.14 -0.04 10.20 9.75 2b42B1 TRP 71 HE3 -0.55 0.14 -0.06 -0.04 7.59 7.08 2b42B1 TRP 71 HZ2 -0.16 0.05 -0.10 -0.04 7.44 7.19 2b42B1 TRP 71 HZ3 -1.35 0.01 -0.15 -0.04 7.13 5.60 2b42B1 TRP 71 HH2 -0.62 0.20 -0.00 -0.04 7.19 6.73 2b42B1 THR 72 H -0.19 0.49 0.37 -0.55 8.28 8.41 2b42B1 THR 72 HA -0.33 0.08 0.62 -0.75 4.39 4.00 2b42B1 THR 72 HB -0.68 0.20 0.09 -0.04 4.32 3.89 2b42B1 THR 72 HG23 -1.08 -0.01 -0.16 -0.04 1.22 -0.07 2b42B1 ARG 73 H -0.23 0.68 0.21 -0.55 8.46 8.57 2b42B1 ARG 73 HA -0.13 0.05 0.40 -0.75 4.34 3.90 2b42B1 ARG 73 HB2 -0.11 0.03 -0.05 -0.04 1.90 1.74 2b42B1 ARG 73 HB3 -0.10 -0.07 0.04 -0.04 1.80 1.63 2b42B1 ARG 73 HG2 -0.15 -0.02 -0.03 -0.04 1.67 1.42 2b42B1 ARG 73 HG3 -0.16 -0.02 -0.31 -0.04 1.67 1.14 2b42B1 ARG 73 HD2 -0.10 0.03 -0.19 -0.04 3.22 2.91 2b42B1 ARG 73 HD3 -0.09 0.01 -0.09 -0.04 3.22 3.01 2b42B1 SER 74 H -0.08 0.08 -0.03 -0.55 8.46 7.88 2b42B1 SER 74 HA -0.05 0.03 0.35 -0.75 4.49 4.07 2b42B1 SER 74 HB2 -0.05 -0.05 0.16 -0.04 3.95 3.97 2b42B1 SER 74 HB3 -0.03 0.07 0.15 -0.04 3.93 4.08 2b42B1 PRO 75 HA -0.06 -0.11 0.32 -0.51 4.44 4.08 2b42B1 PRO 75 HB2 -0.04 0.16 -0.08 -0.04 2.28 2.28 2b42B1 PRO 75 HB3 -0.03 0.01 0.05 -0.04 2.02 2.01 2b42B1 PRO 75 HG2 -0.02 0.13 -0.11 -0.04 2.03 1.99 2b42B1 PRO 75 HG3 -0.01 0.03 -0.05 -0.04 2.03 1.96 2b42B1 PRO 75 HD2 -0.07 0.06 -0.16 -0.04 3.68 3.46 2b42B1 PRO 75 HD3 -0.03 0.21 0.25 -0.04 3.65 4.03 2b42B1 LEU 76 H -0.05 0.11 0.12 -0.55 8.37 8.00 2b42B1 LEU 76 HA -0.11 0.28 0.62 -0.75 4.35 4.40 2b42B1 LEU 76 HB2 -0.08 -0.09 0.18 -0.04 1.64 1.62 2b42B1 LEU 76 HB3 -0.01 0.06 0.20 -0.04 1.64 1.85 2b42B1 LEU 76 HG -0.26 0.04 -0.14 -0.04 1.64 1.24 2b42B1 LEU 76 HD13 -0.25 0.01 0.06 -0.04 0.93 0.71 2b42B1 LEU 76 HD23 -0.09 0.00 -0.09 -0.04 0.89 0.67 2b42B1 ILE 77 H -0.12 0.53 0.36 -0.55 8.25 8.47 2b42B1 ILE 77 HA -0.26 0.25 0.77 -0.75 4.18 4.19 2b42B1 ILE 77 HB -0.30 -0.16 0.01 -0.04 1.89 1.40 2b42B1 ILE 77 HG12 -0.20 0.01 -0.82 -0.04 1.49 0.44 2b42B1 ILE 77 HG13 -0.23 -0.00 -0.12 -0.04 1.21 0.82 2b42B1 ILE 77 HG23 -0.81 0.02 -0.26 -0.04 0.93 -0.16 2b42B1 ILE 77 HD13 -0.37 0.01 -0.01 -0.04 0.88 0.47 2b42B1 GLU 78 H -0.47 0.50 0.29 -0.55 8.60 8.38 2b42B1 GLU 78 HA -1.85 0.22 0.99 -0.75 4.29 2.90 2b42B1 GLU 78 HB2 -1.52 -0.04 0.02 -0.04 2.09 0.51 2b42B1 GLU 78 HB3 -0.48 -0.01 0.10 -0.04 1.99 1.56 2b42B1 GLU 78 HG2 -0.80 0.03 -0.12 -0.04 2.34 1.41 2b42B1 GLU 78 HG3 -2.12 0.00 0.04 -0.04 2.34 0.22 2b42B1 TYR 79 H -1.27 0.57 0.30 -0.55 8.29 7.33 2b42B1 TYR 79 HA -0.50 0.35 1.03 -0.75 4.56 4.69 2b42B1 TYR 79 HB2 0.05 0.02 -0.07 -0.04 3.06 3.03 2b42B1 TYR 79 HB3 -0.25 -0.01 -0.25 -0.04 2.98 2.42 2b42B1 TYR 79 HD2 -0.07 0.02 -0.50 -0.04 7.15 6.56 2b42B1 TYR 79 HE2 -0.24 0.02 -0.36 -0.04 6.85 6.23 2b42B1 TYR 80 H 0.08 0.54 0.26 -0.55 8.29 8.62 2b42B1 TYR 80 HA 0.03 0.32 0.93 -0.75 4.56 5.09 2b42B1 TYR 80 HB2 -0.73 0.03 0.10 -0.04 3.06 2.42 2b42B1 TYR 80 HB3 0.00 -0.02 -0.09 -0.04 2.98 2.83 2b42B1 TYR 80 HD2 -0.69 0.02 -0.22 -0.04 7.15 6.21 2b42B1 TYR 80 HE2 -0.19 -0.02 -0.17 -0.04 6.85 6.43 2b42B1 VAL 81 H 0.23 0.52 0.16 -0.55 8.24 8.60 2b42B1 VAL 81 HA 0.27 0.31 0.90 -0.75 4.13 4.86 2b42B1 VAL 81 HB -0.01 -0.11 0.20 -0.04 2.12 2.16 2b42B1 VAL 81 HG13 -0.43 -0.00 -0.13 -0.04 0.97 0.37 2b42B1 VAL 81 HG23 -0.01 -0.01 -0.18 -0.04 0.95 0.71 2b42B1 VAL 82 H 0.38 0.75 0.26 -0.55 8.24 9.08 2b42B1 VAL 82 HA 0.27 0.04 0.64 -0.75 4.13 4.32 2b42B1 VAL 82 HB 0.27 -0.04 0.22 -0.04 2.12 2.53 2b42B1 VAL 82 HG13 0.26 -0.01 -0.13 -0.04 0.97 1.05 2b42B1 VAL 82 HG23 0.27 0.01 -0.09 -0.04 0.95 1.10 2b42B1 ASP 83 H 0.19 0.51 0.53 -0.55 8.40 9.07 2b42B1 ASP 83 HA 0.29 0.09 0.76 -0.75 4.63 5.02 2b42B1 ASP 83 HB2 0.10 0.06 0.21 -0.04 2.71 3.04 2b42B1 ASP 83 HB3 0.10 0.02 -0.01 -0.04 2.70 2.77 2b42B1 SER 84 H 0.02 0.35 0.40 -0.55 8.46 8.69 2b42B1 SER 84 HA -0.34 0.12 0.55 -0.75 4.49 4.07 2b42B1 SER 84 HB2 -0.24 0.11 0.12 -0.04 3.95 3.90 2b42B1 SER 84 HB3 -0.60 -0.06 0.09 -0.04 3.93 3.32 2b42B1 TRP 85 H -0.35 0.31 0.23 -0.55 7.97 7.61 2b42B1 TRP 85 HA 0.64 0.18 0.83 -0.75 4.62 5.51 2b42B1 TRP 85 HB2 0.46 0.00 0.15 -0.04 3.23 3.80 2b42B1 TRP 85 HB3 0.27 -0.02 -0.11 -0.04 3.23 3.33 2b42B1 TRP 85 HD1 0.18 0.12 -0.70 -0.04 7.22 6.78 2b42B1 TRP 85 HE1 0.07 0.01 -0.18 -0.04 10.20 10.07 2b42B1 TRP 85 HE3 0.09 -0.08 -0.50 -0.04 7.59 7.06 2b42B1 TRP 85 HZ2 0.05 0.01 -0.10 -0.04 7.44 7.35 2b42B1 TRP 85 HZ3 0.05 0.07 -0.31 -0.04 7.13 6.90 2b42B1 TRP 85 HH2 0.03 0.03 -0.58 -0.04 7.19 6.63 2b42B1 GLY 86 H 0.65 0.12 0.21 -0.55 8.43 8.86 2b42B1 GLY 86 HA2 0.18 0.20 0.81 -0.51 4.01 4.68 2b42B1 GLY 86 HA3 0.22 0.14 0.52 -0.51 4.01 4.38 2b42B1 THR 87 H 0.16 0.23 -0.03 -0.55 8.28 8.10 2b42B1 THR 87 HA 0.07 0.11 0.37 -0.75 4.39 4.18 2b42B1 THR 87 HB -0.06 0.04 -0.04 -0.04 4.32 4.22 2b42B1 THR 87 HG23 0.04 -0.00 0.06 -0.04 1.22 1.29 2b42B1 TYR 88 H 0.38 0.02 -0.08 -0.55 8.29 8.06 2b42B1 TYR 88 HA 0.12 0.23 1.00 -0.75 4.56 5.16 2b42B1 TYR 88 HB2 0.11 -0.08 -0.01 -0.04 3.06 3.04 2b42B1 TYR 88 HB3 0.03 0.11 -0.14 -0.04 2.98 2.94 2b42B1 TYR 88 HD2 0.04 -0.04 -0.06 -0.04 7.15 7.05 2b42B1 TYR 88 HE2 0.03 -0.01 -0.04 -0.04 6.85 6.80 2b42B1 ARG 89 H -0.05 0.16 0.08 -0.55 8.46 8.09 2b42B1 ARG 89 HA -1.35 0.11 0.53 -0.75 4.34 2.88 2b42B1 ARG 89 HB2 -0.54 0.01 0.02 -0.04 1.90 1.34 2b42B1 ARG 89 HB3 -0.34 -0.06 0.03 -0.04 1.80 1.40 2b42B1 ARG 89 HG2 -0.68 0.14 -0.31 -0.04 1.67 0.77 2b42B1 ARG 89 HG3 -2.14 -0.00 -0.09 -0.04 1.67 -0.60 2b42B1 ARG 89 HD2 -0.20 -0.01 -0.08 -0.04 3.22 2.89 2b42B1 ARG 89 HD3 -0.19 -0.09 -0.06 -0.04 3.22 2.83 2b42B1 PRO 90 HA -0.34 0.02 0.28 -0.51 4.44 3.89 2b42B1 PRO 90 HB2 -1.02 0.06 -0.14 -0.04 2.28 1.13 2b42B1 PRO 90 HB3 -0.62 -0.01 -0.02 -0.04 2.02 1.33 2b42B1 PRO 90 HG2 -0.50 0.03 0.00 -0.04 2.03 1.52 2b42B1 PRO 90 HG3 -0.94 -0.01 -0.01 -0.04 2.03 1.03 2b42B1 PRO 90 HD2 -0.99 0.11 0.09 -0.04 3.68 2.86 2b42B1 PRO 90 HD3 -0.58 0.16 0.17 -0.04 3.65 3.36 2b42B1 THR 91 H -0.54 0.12 0.12 -0.55 8.28 7.43 2b42B1 THR 91 HA -1.32 0.18 0.58 -0.75 4.39 3.08 2b42B1 THR 91 HB -0.82 -0.09 0.15 -0.04 4.32 3.52 2b42B1 THR 91 HG23 -0.31 0.05 -0.28 -0.04 1.22 0.64 2b42B1 GLY 92 H -1.23 0.25 0.05 -0.55 8.43 6.95 2b42B1 GLY 92 HA2 -0.33 0.06 0.26 -0.51 4.01 3.49 2b42B1 GLY 92 HA3 -0.37 0.09 0.37 -0.51 4.01 3.59 2b42B1 THR 93 H -0.01 0.48 0.25 -0.55 8.28 8.46 2b42B1 THR 93 HA 0.08 0.05 0.82 -0.75 4.39 4.58 2b42B1 THR 93 HB 0.05 -0.01 0.24 -0.04 4.32 4.57 2b42B1 THR 93 HG23 0.05 0.03 0.01 -0.04 1.22 1.27 2b42B1 TYR 94 H 0.29 0.14 0.22 -0.55 8.29 8.39 2b42B1 TYR 94 HA -0.01 0.15 0.57 -0.75 4.56 4.51 2b42B1 TYR 94 HB2 0.18 0.00 0.13 -0.04 3.06 3.34 2b42B1 TYR 94 HB3 0.05 -0.02 0.15 -0.04 2.98 3.12 2b42B1 TYR 94 HD2 -0.13 0.00 -0.09 -0.04 7.15 6.90 2b42B1 TYR 94 HE2 -0.06 0.01 -0.08 -0.04 6.85 6.68 2b42B1 LYS 95 H -0.84 0.34 0.45 -0.55 8.42 7.82 2b42B1 LYS 95 HA -0.25 0.17 0.94 -0.75 4.32 4.42 2b42B1 LYS 95 HB2 -0.39 0.01 -0.03 -0.04 1.87 1.42 2b42B1 LYS 95 HB3 -0.34 0.02 0.00 -0.04 1.79 1.43 2b42B1 LYS 95 HG2 -0.10 0.08 -0.45 -0.04 1.46 0.95 2b42B1 LYS 95 HG3 -0.13 -0.08 -0.16 -0.04 1.46 1.05 2b42B1 LYS 95 HD2 -0.07 0.09 -0.03 -0.04 1.69 1.65 2b42B1 LYS 95 HD3 -0.06 0.00 0.04 -0.04 1.68 1.63 2b42B1 LYS 95 HE2 -0.01 0.01 -0.07 -0.04 2.99 2.88 2b42B1 LYS 95 HE3 -0.01 -0.08 -0.05 -0.04 2.99 2.80 2b42B1 GLY 96 H -1.13 0.16 0.39 -0.55 8.43 7.30 2b42B1 GLY 96 HA2 -0.39 0.04 0.38 -0.51 4.01 3.53 2b42B1 GLY 96 HA3 -0.53 0.16 0.49 -0.51 4.01 3.63 2b42B1 THR 97 H -0.01 0.22 0.22 -0.55 8.28 8.16 2b42B1 THR 97 HA 0.01 0.32 1.02 -0.75 4.39 4.98 2b42B1 THR 97 HB 0.09 0.01 0.07 -0.04 4.32 4.46 2b42B1 THR 97 HG23 0.16 -0.00 -0.17 -0.04 1.22 1.17 2b42B1 VAL 98 H 0.11 0.44 0.26 -0.55 8.24 8.50 2b42B1 VAL 98 HA 0.02 0.08 0.56 -0.75 4.13 4.03 2b42B1 VAL 98 HB -0.03 0.11 -0.06 -0.04 2.12 2.11 2b42B1 VAL 98 HG13 -0.03 -0.01 -0.13 -0.04 0.97 0.75 2b42B1 VAL 98 HG23 -0.22 0.01 -0.21 -0.04 0.95 0.49 2b42B1 LYS 99 H 0.01 0.16 0.15 -0.55 8.42 8.19 2b42B1 LYS 99 HA 0.11 0.20 0.96 -0.75 4.32 4.84 2b42B1 LYS 99 HB2 0.01 -0.02 0.14 -0.04 1.87 1.96 2b42B1 LYS 99 HB3 0.03 0.01 -0.00 -0.04 1.79 1.79 2b42B1 LYS 99 HG2 0.04 0.04 -0.03 -0.04 1.46 1.47 2b42B1 LYS 99 HG3 0.04 -0.07 -0.05 -0.04 1.46 1.34 2b42B1 LYS 99 HD2 0.02 0.00 -0.01 -0.04 1.69 1.66 2b42B1 LYS 99 HD3 0.02 -0.01 0.00 -0.04 1.68 1.65 2b42B1 LYS 99 HE2 0.02 0.00 -0.02 -0.04 2.99 2.94 2b42B1 LYS 99 HE3 0.03 0.02 -0.05 -0.04 2.99 2.95 2b42B1 SER 100 H 0.16 0.82 0.26 -0.55 8.46 9.16 2b42B1 SER 100 HA -0.01 -0.00 0.41 -0.75 4.49 4.13 2b42B1 SER 100 HB2 -0.27 0.13 -0.10 -0.04 3.95 3.66 2b42B1 SER 100 HB3 -0.16 0.03 -0.11 -0.04 3.93 3.65 2b42B1 ASP 101 H 0.03 0.13 0.15 -0.55 8.40 8.17 2b42B1 ASP 101 HA 0.05 0.03 0.39 -0.75 4.63 4.33 2b42B1 ASP 101 HB2 0.18 0.13 0.13 -0.04 2.71 3.11 2b42B1 ASP 101 HB3 0.07 0.06 0.30 -0.04 2.70 3.09 2b42B1 GLY 102 H 0.05 0.02 -0.20 -0.55 8.43 7.75 2b42B1 GLY 102 HA2 0.03 -0.03 0.31 -0.51 4.01 3.82 2b42B1 GLY 102 HA3 0.04 0.12 0.39 -0.51 4.01 4.04 2b42B1 GLY 103 H 0.12 0.37 -0.57 -0.55 8.43 7.81 2b42B1 GLY 103 HA2 -0.01 0.16 0.93 -0.51 4.01 4.59 2b42B1 GLY 103 HA3 -0.06 0.08 0.35 -0.51 4.01 3.86 2b42B1 THR 104 H -0.06 0.19 0.24 -0.55 8.28 8.10 2b42B1 THR 104 HA 0.14 0.20 0.96 -0.75 4.39 4.94 2b42B1 THR 104 HB 0.03 -0.02 0.13 -0.04 4.32 4.42 2b42B1 THR 104 HG23 0.07 -0.00 -0.17 -0.04 1.22 1.09 2b42B1 TYR 105 H 0.31 0.60 0.28 -0.55 8.29 8.93 2b42B1 TYR 105 HA 0.14 0.22 0.92 -0.75 4.56 5.09 2b42B1 TYR 105 HB2 0.17 -0.01 0.00 -0.04 3.06 3.18 2b42B1 TYR 105 HB3 0.22 0.01 -0.27 -0.04 2.98 2.90 2b42B1 TYR 105 HD2 0.18 0.03 -0.37 -0.04 7.15 6.95 2b42B1 TYR 105 HE2 0.18 0.16 -0.17 -0.04 6.85 6.98 2b42B1 ASP 106 H 0.14 0.49 0.24 -0.55 8.40 8.72 2b42B1 ASP 106 HA 0.01 0.17 0.95 -0.75 4.63 5.01 2b42B1 ASP 106 HB2 -0.08 0.04 0.08 -0.04 2.71 2.71 2b42B1 ASP 106 HB3 -0.30 -0.00 0.07 -0.04 2.70 2.42 2b42B1 ILE 107 H -0.38 0.65 0.38 -0.55 8.25 8.35 2b42B1 ILE 107 HA 0.03 0.31 0.95 -0.75 4.18 4.72 2b42B1 ILE 107 HB -0.40 -0.18 0.08 -0.04 1.89 1.34 2b42B1 ILE 107 HG12 0.28 0.01 -0.20 -0.04 1.49 1.53 2b42B1 ILE 107 HG13 -0.02 -0.00 -0.37 -0.04 1.21 0.77 2b42B1 ILE 107 HG23 -0.06 0.03 -0.15 -0.04 0.93 0.70 2b42B1 ILE 107 HD13 -0.03 -0.01 -0.37 -0.04 0.88 0.43 2b42B1 TYR 108 H 0.13 0.53 0.23 -0.55 8.29 8.63 2b42B1 TYR 108 HA -0.07 0.38 0.94 -0.75 4.56 5.05 2b42B1 TYR 108 HB2 -0.16 -0.03 -0.23 -0.04 3.06 2.60 2b42B1 TYR 108 HB3 -0.13 -0.03 -0.21 -0.04 2.98 2.57 2b42B1 TYR 108 HD2 -0.05 0.03 -0.59 -0.04 7.15 6.50 2b42B1 TYR 108 HE2 0.01 0.07 -0.08 -0.04 6.85 6.81 2b42B1 THR 109 H 0.09 0.47 0.26 -0.55 8.28 8.56 2b42B1 THR 109 HA 0.23 0.47 1.03 -0.75 4.39 5.36 2b42B1 THR 109 HB 0.09 -0.06 0.10 -0.04 4.32 4.42 2b42B1 THR 109 HG23 -0.02 0.01 -0.08 -0.04 1.22 1.09 2b42B1 THR 110 H 0.12 0.48 0.34 -0.55 8.28 8.68 2b42B1 THR 110 HA 0.02 0.05 0.59 -0.75 4.39 4.30 2b42B1 THR 110 HB 0.17 -0.03 -0.04 -0.04 4.32 4.38 2b42B1 THR 110 HG23 -0.01 0.04 -0.04 -0.04 1.22 1.17 2b42B1 THR 111 H -0.06 0.15 0.17 -0.55 8.28 7.99 2b42B1 THR 111 HA -0.28 0.23 1.06 -0.75 4.39 4.65 2b42B1 THR 111 HB -0.31 -0.02 0.10 -0.04 4.32 4.04 2b42B1 THR 111 HG23 -0.62 0.00 -0.10 -0.04 1.22 0.46 2b42B1 ARG 112 H -0.62 0.89 0.37 -0.55 8.46 8.55 2b42B1 ARG 112 HA -0.30 0.11 0.84 -0.75 4.34 4.23 2b42B1 ARG 112 HB2 -1.69 -0.01 0.08 -0.04 1.90 0.24 2b42B1 ARG 112 HB3 -0.57 0.03 -0.03 -0.04 1.80 1.19 2b42B1 ARG 112 HG2 -0.29 -0.04 -0.42 -0.04 1.67 0.88 2b42B1 ARG 112 HG3 -0.29 -0.00 -0.16 -0.04 1.67 1.17 2b42B1 ARG 112 HD2 -0.10 0.05 -0.07 -0.04 3.22 3.06 2b42B1 ARG 112 HD3 0.01 -0.02 -0.15 -0.04 3.22 3.02 2b42B1 TYR 113 H 0.00 0.22 0.09 -0.55 8.29 8.05 2b42B1 TYR 113 HA -0.10 0.08 0.95 -0.75 4.56 4.73 2b42B1 TYR 113 HB2 -0.06 0.03 0.05 -0.04 3.06 3.05 2b42B1 TYR 113 HB3 -0.04 0.00 -0.06 -0.04 2.98 2.85 2b42B1 TYR 113 HD2 -0.05 0.01 -0.05 -0.04 7.15 7.02 2b42B1 TYR 113 HE2 -0.04 0.02 -0.05 -0.04 6.85 6.74 2b42B1 ASN 114 H 0.07 0.08 -0.11 -0.55 8.53 8.03 2b42B1 ASN 114 HA 0.05 -0.09 0.05 -0.75 4.76 4.02 2b42B1 ASN 114 HB2 0.05 0.11 -0.04 -0.04 2.88 2.95 2b42B1 ASN 114 HB3 0.03 -0.00 0.11 -0.04 2.79 2.89 2b42B1 ASN 114 HD21 0.02 -0.00 -0.06 -0.04 7.03 6.95 2b42B1 ASN 114 HD22 0.02 0.04 -0.08 -0.04 7.74 7.68 2b42B1 ALA 115 H 0.07 0.57 -0.05 -0.55 8.40 8.45 2b42B1 ALA 115 HA 0.06 0.20 0.80 -0.75 4.34 4.65 2b42B1 ALA 115 HB3 0.02 0.02 -0.14 -0.04 1.41 1.27 2b42B1 PRO 116 HA 0.00 0.17 0.67 -0.51 4.44 4.76 2b42B1 PRO 116 HB2 -0.02 -0.05 0.02 -0.04 2.28 2.19 2b42B1 PRO 116 HB3 -0.07 0.02 0.09 -0.04 2.02 2.02 2b42B1 PRO 116 HG2 0.00 -0.02 0.08 -0.04 2.03 2.05 2b42B1 PRO 116 HG3 0.01 0.08 0.14 -0.04 2.03 2.21 2b42B1 PRO 116 HD2 0.07 0.04 0.19 -0.04 3.68 3.94 2b42B1 PRO 116 HD3 0.05 0.17 0.26 -0.04 3.65 4.08 2b42B1 SER 117 H -0.14 0.73 0.32 -0.55 8.46 8.82 2b42B1 SER 117 HA -0.58 0.16 0.39 -0.75 4.49 3.71 2b42B1 SER 117 HB2 -0.93 -0.09 0.11 -0.04 3.95 3.00 2b42B1 SER 117 HB3 -0.40 0.18 -0.19 -0.04 3.93 3.48 2b42B1 ILE 118 H -1.71 0.19 0.08 -0.55 8.25 6.26 2b42B1 ILE 118 HA -0.52 0.14 0.51 -0.75 4.18 3.54 2b42B1 ILE 118 HB -0.48 0.04 0.04 -0.04 1.89 1.45 2b42B1 ILE 118 HG12 -1.30 -0.03 0.05 -0.04 1.49 0.17 2b42B1 ILE 118 HG13 -0.55 0.02 -0.20 -0.04 1.21 0.44 2b42B1 ILE 118 HG23 -1.35 0.00 -0.00 -0.04 0.93 -0.46 2b42B1 ILE 118 HD13 -0.44 0.02 -0.12 -0.04 0.88 0.30 2b42B1 ASP 119 H -0.45 -0.02 -0.33 -0.55 8.40 7.05 2b42B1 ASP 119 HA -0.19 0.21 0.69 -0.75 4.63 4.59 2b42B1 ASP 119 HB2 -0.23 -0.04 -0.01 -0.04 2.71 2.39 2b42B1 ASP 119 HB3 -0.13 0.03 -0.04 -0.04 2.70 2.52 2b42B1 GLY 120 H -0.21 0.28 -0.21 -0.55 8.43 7.75 2b42B1 GLY 120 HA2 -0.08 0.10 0.38 -0.51 4.01 3.90 2b42B1 GLY 120 HA3 -0.07 0.06 0.21 -0.51 4.01 3.69 2b42B1 ASP 121 H -0.03 0.14 0.09 -0.55 8.40 8.05 2b42B1 ASP 121 HA -0.03 0.10 0.37 -0.75 4.63 4.32 2b42B1 ASP 121 HB2 -0.02 -0.01 0.09 -0.04 2.71 2.73 2b42B1 ASP 121 HB3 -0.00 0.01 0.01 -0.04 2.70 2.67 2b42B1 ARG 122 H 0.00 0.05 -0.15 -0.55 8.46 7.81 2b42B1 ARG 122 HA 0.04 0.22 0.32 -0.75 4.34 4.16 2b42B1 ARG 122 HB2 0.01 -0.08 0.01 -0.04 1.90 1.80 2b42B1 ARG 122 HB3 0.02 -0.02 0.06 -0.04 1.80 1.82 2b42B1 ARG 122 HG2 0.01 -0.04 -0.06 -0.04 1.67 1.55 2b42B1 ARG 122 HG3 0.02 -0.01 -0.02 -0.04 1.67 1.62 2b42B1 ARG 122 HD2 0.03 0.31 -0.14 -0.04 3.22 3.38 2b42B1 ARG 122 HD3 0.02 -0.10 -0.32 -0.04 3.22 2.77 2b42B1 THR 123 H 0.09 0.31 0.02 -0.55 8.28 8.15 2b42B1 THR 123 HA 0.07 0.09 0.73 -0.75 4.39 4.52 2b42B1 THR 123 HB 0.06 0.11 -0.45 -0.04 4.32 4.00 2b42B1 THR 123 HG23 0.23 -0.01 -0.32 -0.04 1.22 1.08 2b42B1 THR 124 H 0.10 0.19 0.19 -0.55 8.28 8.20 2b42B1 THR 124 HA -0.09 0.39 1.17 -0.75 4.39 5.11 2b42B1 THR 124 HB 0.04 -0.01 0.18 -0.04 4.32 4.48 2b42B1 THR 124 HG23 -0.11 0.03 -0.08 -0.04 1.22 1.02 2b42B1 PHE 125 H -0.44 0.66 0.40 -0.55 8.34 8.40 2b42B1 PHE 125 HA -0.10 0.09 0.70 -0.75 4.62 4.55 2b42B1 PHE 125 HB2 -0.09 0.17 0.02 -0.04 3.15 3.21 2b42B1 PHE 125 HB3 -0.03 0.00 -0.27 -0.04 3.06 2.72 2b42B1 PHE 125 HD2 -0.08 0.04 -0.51 -0.04 7.28 6.69 2b42B1 PHE 125 HE2 -0.04 0.06 -0.30 -0.04 7.38 7.06 2b42B1 PHE 125 HZ 0.19 0.11 -0.12 -0.04 7.32 7.46 2b42B1 THR 126 H 0.02 0.28 0.27 -0.55 8.28 8.30 2b42B1 THR 126 HA -0.15 0.20 1.06 -0.75 4.39 4.75 2b42B1 THR 126 HB -0.17 0.03 0.04 -0.04 4.32 4.18 2b42B1 THR 126 HG23 0.07 0.02 -0.01 -0.04 1.22 1.25 2b42B1 GLN 127 H -0.05 0.55 0.42 -0.55 8.47 8.85 2b42B1 GLN 127 HA -0.31 0.33 1.05 -0.75 4.36 4.67 2b42B1 GLN 127 HB2 0.06 0.05 0.11 -0.04 2.15 2.33 2b42B1 GLN 127 HB3 0.03 -0.00 -0.20 -0.04 2.02 1.81 2b42B1 GLN 127 HG2 -0.20 0.03 -0.11 -0.04 2.40 2.08 2b42B1 GLN 127 HG3 0.02 -0.04 -0.16 -0.04 2.39 2.17 2b42B1 GLN 127 HE21 0.21 -0.01 -0.13 -0.04 6.97 6.99 2b42B1 GLN 127 HE22 0.16 -0.01 -0.13 -0.04 7.69 7.67 2b42B1 TYR 128 H -0.43 0.51 0.36 -0.55 8.29 8.19 2b42B1 TYR 128 HA -0.35 0.26 0.96 -0.75 4.56 4.69 2b42B1 TYR 128 HB2 -0.93 -0.10 0.04 -0.04 3.06 2.02 2b42B1 TYR 128 HB3 -1.88 0.04 -0.08 -0.04 2.98 1.01 2b42B1 TYR 128 HD2 -0.30 0.04 -0.35 -0.04 7.15 6.50 2b42B1 TYR 128 HE2 -0.09 -0.00 -0.48 -0.04 6.85 6.23 2b42B1 TRP 129 H 0.12 0.73 0.35 -0.55 7.97 8.63 2b42B1 TRP 129 HA 0.19 0.24 0.99 -0.75 4.62 5.28 2b42B1 TRP 129 HB2 0.19 -0.14 -0.00 -0.04 3.23 3.24 2b42B1 TRP 129 HB3 0.15 0.03 -0.16 -0.04 3.23 3.20 2b42B1 TRP 129 HD1 0.00 0.18 -0.49 -0.04 7.22 6.88 2b42B1 TRP 129 HE1 -0.06 -0.03 -0.30 -0.04 10.20 9.76 2b42B1 TRP 129 HE3 -0.15 0.02 -0.17 -0.04 7.59 7.26 2b42B1 TRP 129 HZ2 -0.20 -0.02 -0.17 -0.04 7.44 7.01 2b42B1 TRP 129 HZ3 -0.77 -0.03 -0.14 -0.04 7.13 6.15 2b42B1 TRP 129 HH2 -0.57 -0.03 -0.15 -0.04 7.19 6.40 2b42B1 SER 130 H 0.60 0.68 0.37 -0.55 8.46 9.56 2b42B1 SER 130 HA 0.43 0.30 0.53 -0.75 4.49 4.99 2b42B1 SER 130 HB2 0.23 -0.07 0.18 -0.04 3.95 4.25 2b42B1 SER 130 HB3 0.24 -0.01 -0.09 -0.04 3.93 4.03 2b42B1 VAL 131 H 0.35 0.75 0.12 -0.55 8.24 8.92 2b42B1 VAL 131 HA 0.38 0.10 1.02 -0.75 4.13 4.88 2b42B1 VAL 131 HB 0.28 -0.05 0.06 -0.04 2.12 2.38 2b42B1 VAL 131 HG13 -0.17 0.10 -0.15 -0.04 0.97 0.71 2b42B1 VAL 131 HG23 0.21 -0.00 -0.27 -0.04 0.95 0.84 2b42B1 ARG 132 H 0.39 0.70 0.23 -0.55 8.46 9.23 2b42B1 ARG 132 HA -0.42 0.01 0.45 -0.75 4.34 3.62 2b42B1 ARG 132 HB2 -0.06 0.05 0.28 -0.04 1.90 2.14 2b42B1 ARG 132 HB3 0.27 0.07 0.05 -0.04 1.80 2.15 2b42B1 ARG 132 HG2 -0.11 -0.13 0.16 -0.04 1.67 1.54 2b42B1 ARG 132 HG3 -0.72 -0.12 0.07 -0.04 1.67 0.85 2b42B1 ARG 132 HD2 -0.05 -0.06 0.16 -0.04 3.22 3.24 2b42B1 ARG 132 HD3 -0.04 0.26 0.10 -0.04 3.22 3.50 2b42B1 GLN 133 H -0.01 0.55 0.47 -0.55 8.47 8.93 2b42B1 GLN 133 HA 0.13 0.07 0.48 -0.75 4.36 4.29 2b42B1 GLN 133 HB2 0.05 -0.01 0.17 -0.04 2.15 2.32 2b42B1 GLN 133 HB3 0.08 -0.03 0.09 -0.04 2.02 2.12 2b42B1 GLN 133 HG2 0.08 -0.01 0.04 -0.04 2.40 2.47 2b42B1 GLN 133 HG3 0.08 0.03 -0.03 -0.04 2.39 2.42 2b42B1 GLN 133 HE21 0.06 -0.02 -0.09 -0.04 6.97 6.89 2b42B1 GLN 133 HE22 0.09 -0.00 -0.13 -0.04 7.69 7.61 2b42B1 SER 134 H 0.13 0.16 -0.07 -0.55 8.46 8.14 2b42B1 SER 134 HA 0.33 0.11 0.47 -0.75 4.49 4.65 2b42B1 SER 134 HB2 0.04 0.01 0.11 -0.04 3.95 4.07 2b42B1 SER 134 HB3 0.10 0.06 0.01 -0.04 3.93 4.06 2b42B1 LYS 135 H -0.25 0.07 0.11 -0.55 8.42 7.80 2b42B1 LYS 135 HA -0.77 0.06 0.41 -0.75 4.32 3.28 2b42B1 LYS 135 HB2 -0.28 -0.04 0.13 -0.04 1.87 1.63 2b42B1 LYS 135 HB3 -0.35 0.07 0.07 -0.04 1.79 1.54 2b42B1 LYS 135 HG2 -1.97 -0.11 0.11 -0.04 1.46 -0.55 2b42B1 LYS 135 HG3 -0.89 -0.02 0.09 -0.04 1.46 0.60 2b42B1 LYS 135 HD2 -0.24 -0.04 0.06 -0.04 1.69 1.42 2b42B1 LYS 135 HD3 -0.30 0.04 0.13 -0.04 1.68 1.52 2b42B1 LYS 135 HE2 -1.04 -0.07 -0.09 -0.04 2.99 1.76 2b42B1 LYS 135 HE3 -0.18 -0.07 0.01 -0.04 2.99 2.71 2b42B1 ARG 136 H -0.16 0.31 0.39 -0.55 8.46 8.45 2b42B1 ARG 136 HA -0.04 0.11 0.70 -0.75 4.34 4.36 2b42B1 ARG 136 HB2 0.01 0.06 0.23 -0.04 1.90 2.16 2b42B1 ARG 136 HB3 0.00 -0.13 0.04 -0.04 1.80 1.67 2b42B1 ARG 136 HG2 0.02 0.23 -0.06 -0.04 1.67 1.81 2b42B1 ARG 136 HG3 0.02 -0.02 0.13 -0.04 1.67 1.76 2b42B1 ARG 136 HD2 0.14 -0.04 0.07 -0.04 3.22 3.35 2b42B1 ARG 136 HD3 0.13 -0.08 -0.00 -0.04 3.22 3.23 2b42B1 PRO 137 HA 0.01 0.03 0.48 -0.51 4.44 4.45 2b42B1 PRO 137 HB2 0.01 -0.02 0.01 -0.04 2.28 2.23 2b42B1 PRO 137 HB3 0.01 0.03 0.11 -0.04 2.02 2.13 2b42B1 PRO 137 HG2 0.00 0.00 0.10 -0.04 2.03 2.10 2b42B1 PRO 137 HG3 -0.00 0.05 0.11 -0.04 2.03 2.15 2b42B1 PRO 137 HD2 -0.00 0.07 0.24 -0.04 3.68 3.94 2b42B1 PRO 137 HD3 -0.02 0.22 0.30 -0.04 3.65 4.11 2b42B1 THR 138 H 0.06 0.19 0.26 -0.55 8.28 8.24 2b42B1 THR 138 HA 0.06 0.15 0.89 -0.75 4.39 4.74 2b42B1 THR 138 HB 0.14 0.00 0.15 -0.04 4.32 4.57 2b42B1 THR 138 HG23 -0.01 0.03 -0.11 -0.04 1.22 1.09 2b42B1 GLY 139 H 0.09 0.08 0.05 -0.55 8.43 8.11 2b42B1 GLY 139 HA2 0.09 0.06 0.27 -0.51 4.01 3.92 2b42B1 GLY 139 HA3 0.07 0.18 0.82 -0.51 4.01 4.57 2b42B1 SER 140 H 0.03 0.13 -0.23 -0.55 8.46 7.84 2b42B1 SER 140 HA 0.05 0.16 0.81 -0.75 4.49 4.76 2b42B1 SER 140 HB2 0.01 0.06 -0.14 -0.04 3.95 3.84 2b42B1 SER 140 HB3 0.02 -0.01 0.03 -0.04 3.93 3.94 2b42B1 ASN 141 H 0.06 0.10 0.12 -0.55 8.53 8.26 2b42B1 ASN 141 HA 0.05 0.09 0.45 -0.75 4.76 4.59 2b42B1 ASN 141 HB2 0.09 -0.02 0.14 -0.04 2.88 3.05 2b42B1 ASN 141 HB3 0.17 0.02 -0.00 -0.04 2.79 2.94 2b42B1 ASN 141 HD21 0.14 0.01 -0.01 -0.04 7.03 7.12 2b42B1 ASN 141 HD22 0.18 0.00 0.01 -0.04 7.74 7.89 2b42B1 ALA 142 H -0.35 0.63 0.48 -0.55 8.40 8.62 2b42B1 ALA 142 HA -0.15 0.16 1.02 -0.75 4.34 4.61 2b42B1 ALA 142 HB3 -0.54 0.02 0.04 -0.04 1.41 0.90 2b42B1 THR 143 H -0.08 0.25 0.25 -0.55 8.28 8.15 2b42B1 THR 143 HA -0.11 0.31 1.10 -0.75 4.39 4.94 2b42B1 THR 143 HB -0.02 -0.02 0.10 -0.04 4.32 4.34 2b42B1 THR 143 HG23 -0.02 -0.03 -0.19 -0.04 1.22 0.94 2b42B1 ILE 144 H 0.04 0.80 0.33 -0.55 8.25 8.87 2b42B1 ILE 144 HA 0.12 0.18 0.85 -0.75 4.18 4.58 2b42B1 ILE 144 HB 0.10 -0.04 0.19 -0.04 1.89 2.10 2b42B1 ILE 144 HG12 0.21 0.10 -0.06 -0.04 1.49 1.71 2b42B1 ILE 144 HG13 0.29 0.01 -0.23 -0.04 1.21 1.23 2b42B1 ILE 144 HG23 0.06 -0.01 -0.21 -0.04 0.93 0.73 2b42B1 ILE 144 HD13 0.13 -0.00 -0.02 -0.04 0.88 0.94 2b42B1 THR 145 H 0.08 0.21 -0.04 -0.55 8.28 7.98 2b42B1 THR 145 HA 0.02 0.14 0.66 -0.75 4.39 4.46 2b42B1 THR 145 HB -0.03 -0.04 0.22 -0.04 4.32 4.43 2b42B1 THR 145 HG23 -0.03 -0.00 0.01 -0.04 1.22 1.16 2b42B1 PHE 146 H 0.12 0.56 0.24 -0.55 8.34 8.70 2b42B1 PHE 146 HA -0.08 -0.02 0.14 -0.75 4.62 3.91 2b42B1 PHE 146 HB2 -0.10 0.01 0.04 -0.04 3.15 3.06 2b42B1 PHE 146 HB3 -0.17 0.16 0.06 -0.04 3.06 3.06 2b42B1 PHE 146 HD2 -0.28 0.06 0.00 -0.04 7.28 7.03 2b42B1 PHE 146 HE2 -0.17 0.01 -0.21 -0.04 7.38 6.97 2b42B1 PHE 146 HZ -0.92 0.02 -0.20 -0.04 7.32 6.17 2b42B1 THR 147 H -0.07 0.15 -0.21 -0.55 8.28 7.60 2b42B1 THR 147 HA -0.33 0.14 0.39 -0.75 4.39 3.84 2b42B1 THR 147 HB -0.08 -0.01 -0.09 -0.04 4.32 4.10 2b42B1 THR 147 HG23 0.04 0.01 0.08 -0.04 1.22 1.32 2b42B1 ASN 148 H -0.17 0.27 -0.23 -0.55 8.53 7.86 2b42B1 ASN 148 HA -0.21 0.05 0.52 -0.75 4.76 4.37 2b42B1 ASN 148 HB2 -0.32 0.09 0.13 -0.04 2.88 2.74 2b42B1 ASN 148 HB3 -0.30 0.07 0.03 -0.04 2.79 2.55 2b42B1 ASN 148 HD21 -0.07 -0.02 0.08 -0.04 7.03 6.98 2b42B1 ASN 148 HD22 -0.11 -0.08 0.14 -0.04 7.74 7.65 2b42B1 HIS 149 H -0.40 0.28 -0.16 -0.55 8.41 7.58 2b42B1 HIS 149 HA -0.66 0.04 0.41 -0.75 4.63 3.67 2b42B1 HIS 149 HB2 -0.93 0.13 0.09 -0.04 3.26 2.51 2b42B1 HIS 149 HB3 -1.58 -0.00 -0.07 -0.04 3.20 1.50 2b42B1 HIS 149 HD2 -0.19 0.07 -0.17 -0.04 6.97 6.64 2b42B1 HIS 149 HE1 -1.69 0.03 -0.16 -0.04 7.75 5.88 2b42B1 VAL 150 H -0.84 0.55 -0.02 -0.55 8.24 7.39 2b42B1 VAL 150 HA -0.48 0.03 0.27 -0.75 4.13 3.20 2b42B1 VAL 150 HB -0.43 0.07 0.10 -0.04 2.12 1.81 2b42B1 VAL 150 HG13 -0.12 -0.01 -0.13 -0.04 0.97 0.66 2b42B1 VAL 150 HG23 -1.12 0.03 -0.05 -0.04 0.95 -0.23 2b42B1 ASN 151 H -0.30 0.60 -0.25 -0.55 8.53 8.03 2b42B1 ASN 151 HA -0.09 0.01 0.50 -0.75 4.76 4.43 2b42B1 ASN 151 HB2 -0.16 0.13 0.19 -0.04 2.88 3.00 2b42B1 ASN 151 HB3 -0.09 -0.05 0.01 -0.04 2.79 2.62 2b42B1 ASN 151 HD21 -0.06 -0.08 -0.05 -0.04 7.03 6.80 2b42B1 ASN 151 HD22 -0.11 -0.03 -0.09 -0.04 7.74 7.47 2b42B1 ALA 152 H -0.22 0.57 -0.03 -0.55 8.40 8.17 2b42B1 ALA 152 HA -0.00 -0.00 0.43 -0.75 4.34 4.01 2b42B1 ALA 152 HB3 -0.06 0.02 0.08 -0.04 1.41 1.40 2b42B1 TRP 153 H -0.08 0.74 -0.16 -0.55 7.97 7.93 2b42B1 TRP 153 HA -0.09 -0.02 0.36 -0.75 4.62 4.12 2b42B1 TRP 153 HB2 -0.16 0.10 0.07 -0.04 3.23 3.20 2b42B1 TRP 153 HB3 -0.33 0.07 -0.04 -0.04 3.23 2.88 2b42B1 TRP 153 HD1 -0.08 -0.05 -0.19 -0.04 7.22 6.86 2b42B1 TRP 153 HE1 0.07 0.01 -0.19 -0.04 10.20 10.04 2b42B1 TRP 153 HE3 -0.04 0.05 -0.19 -0.04 7.59 7.37 2b42B1 TRP 153 HZ2 0.12 -0.01 -0.27 -0.04 7.44 7.24 2b42B1 TRP 153 HZ3 -0.09 -0.03 -0.22 -0.04 7.13 6.74 2b42B1 TRP 153 HH2 0.22 -0.06 -0.31 -0.04 7.19 6.99 2b42B1 LYS 154 H 0.05 0.52 -0.20 -0.55 8.42 8.23 2b42B1 LYS 154 HA 0.02 -0.01 0.26 -0.75 4.32 3.84 2b42B1 LYS 154 HB2 -0.02 0.11 0.28 -0.04 1.87 2.20 2b42B1 LYS 154 HB3 -0.01 -0.06 -0.01 -0.04 1.79 1.66 2b42B1 LYS 154 HG2 0.02 -0.07 0.00 -0.04 1.46 1.38 2b42B1 LYS 154 HG3 0.02 0.07 0.03 -0.04 1.46 1.55 2b42B1 LYS 154 HD2 0.00 -0.03 -0.02 -0.04 1.69 1.60 2b42B1 LYS 154 HD3 0.02 -0.03 -0.03 -0.04 1.68 1.60 2b42B1 LYS 154 HE2 -0.01 -0.05 -0.06 -0.04 2.99 2.83 2b42B1 LYS 154 HE3 -0.03 0.06 -0.00 -0.04 2.99 2.97 2b42B1 SER 155 H -0.02 0.52 -0.21 -0.55 8.46 8.20 2b42B1 SER 155 HA -0.09 -0.03 0.28 -0.75 4.49 3.89 2b42B1 SER 155 HB2 -0.17 -0.09 0.12 -0.04 3.95 3.77 2b42B1 SER 155 HB3 -0.10 0.05 0.13 -0.04 3.93 3.97 2b42B1 HIS 156 H 0.06 0.38 -0.59 -0.55 8.41 7.71 2b42B1 HIS 156 HA -0.04 0.15 0.86 -0.75 4.63 4.84 2b42B1 HIS 156 HB2 -0.06 0.03 0.04 -0.04 3.26 3.23 2b42B1 HIS 156 HB3 -0.08 -0.05 0.14 -0.04 3.20 3.17 2b42B1 HIS 156 HD2 -0.07 0.05 0.06 -0.04 6.97 6.97 2b42B1 HIS 156 HE1 -0.03 -0.00 -0.01 -0.04 7.75 7.66 2b42B1 GLY 157 H -0.02 0.42 -0.20 -0.55 8.43 8.08 2b42B1 GLY 157 HA2 -0.01 -0.00 0.29 -0.51 4.01 3.78 2b42B1 GLY 157 HA3 -0.01 0.00 0.44 -0.51 4.01 3.93 2b42B1 MET 158 H -0.06 0.62 -0.21 -0.55 8.47 8.27 2b42B1 MET 158 HA -0.19 0.11 0.75 -0.75 4.52 4.43 2b42B1 MET 158 HB2 -0.40 0.05 0.04 -0.04 2.15 1.81 2b42B1 MET 158 HB3 -1.82 -0.08 -0.11 -0.04 2.03 -0.01 2b42B1 MET 158 HG2 -0.50 -0.05 -0.13 -0.04 2.63 1.91 2b42B1 MET 158 HG3 -0.22 0.14 -0.35 -0.04 2.56 2.09 2b42B1 MET 158 HE3 -1.01 -0.01 -0.09 -0.04 2.10 0.95 2b42B1 ASN 159 H 0.07 0.21 -0.06 -0.55 8.53 8.20 2b42B1 ASN 159 HA 0.08 0.09 0.60 -0.75 4.76 4.77 2b42B1 ASN 159 HB2 0.06 -0.03 0.02 -0.04 2.88 2.88 2b42B1 ASN 159 HB3 0.05 0.13 -0.03 -0.04 2.79 2.90 2b42B1 ASN 159 HD21 0.02 -0.01 -0.05 -0.04 7.03 6.94 2b42B1 ASN 159 HD22 0.04 0.01 -0.02 -0.04 7.74 7.73 2b42B1 LEU 160 H 0.13 0.09 0.09 -0.55 8.37 8.14 2b42B1 LEU 160 HA 0.04 0.10 0.55 -0.75 4.35 4.29 2b42B1 LEU 160 HB2 0.10 0.00 -0.00 -0.04 1.64 1.70 2b42B1 LEU 160 HB3 -0.30 -0.01 -0.00 -0.04 1.64 1.28 2b42B1 LEU 160 HG 0.39 0.04 -0.21 -0.04 1.64 1.82 2b42B1 LEU 160 HD13 0.29 -0.01 -0.11 -0.04 0.93 1.06 2b42B1 LEU 160 HD23 0.01 -0.00 -0.18 -0.04 0.89 0.68 2b42B1 GLY 161 H -0.34 0.01 -0.02 -0.55 8.43 7.53 2b42B1 GLY 161 HA2 -0.10 0.20 0.39 -0.51 4.01 3.98 2b42B1 GLY 161 HA3 -0.25 0.17 -0.02 -0.51 4.01 3.41 2b42B1 SER 162 H -0.08 0.39 0.28 -0.55 8.46 8.50 2b42B1 SER 162 HA 0.17 0.14 0.70 -0.75 4.49 4.74 2b42B1 SER 162 HB2 0.08 -0.05 0.08 -0.04 3.95 4.02 2b42B1 SER 162 HB3 0.05 0.02 0.07 -0.04 3.93 4.04 2b42B1 ASN 163 H -0.13 0.33 0.09 -0.55 8.53 8.28 2b42B1 ASN 163 HA 0.11 0.15 0.81 -0.75 4.76 5.08 2b42B1 ASN 163 HB2 -0.01 0.01 -0.03 -0.04 2.88 2.81 2b42B1 ASN 163 HB3 -0.08 -0.10 -0.00 -0.04 2.79 2.57 2b42B1 ASN 163 HD21 0.03 0.04 -0.06 -0.04 7.03 7.00 2b42B1 ASN 163 HD22 0.08 -0.02 0.12 -0.04 7.74 7.89 2b42B1 TRP 164 H 0.30 0.21 0.13 -0.55 7.97 8.05 2b42B1 TRP 164 HA -0.00 0.10 0.76 -0.75 4.62 4.72 2b42B1 TRP 164 HB2 -0.01 -0.01 0.11 -0.04 3.23 3.28 2b42B1 TRP 164 HB3 0.00 0.03 0.00 -0.04 3.23 3.22 2b42B1 TRP 164 HD1 -0.02 0.11 -0.26 -0.04 7.22 7.01 2b42B1 TRP 164 HE1 -0.05 0.07 -0.08 -0.04 10.20 10.09 2b42B1 TRP 164 HE3 0.08 0.04 -0.22 -0.04 7.59 7.45 2b42B1 TRP 164 HZ2 -0.11 0.03 -0.10 -0.04 7.44 7.22 2b42B1 TRP 164 HZ3 0.22 -0.02 -0.28 -0.04 7.13 7.00 2b42B1 TRP 164 HH2 -0.05 -0.03 -0.17 -0.04 7.19 6.90 2b42B1 ALA 165 H -0.01 0.42 0.19 -0.55 8.40 8.46 2b42B1 ALA 165 HA 0.01 0.22 0.87 -0.75 4.34 4.68 2b42B1 ALA 165 HB3 -0.16 -0.04 0.06 -0.04 1.41 1.22 2b42B1 TYR 166 H -0.20 0.00 0.15 -0.55 8.29 7.69 2b42B1 TYR 166 HA -0.15 0.28 0.11 -0.75 4.56 4.04 2b42B1 TYR 166 HB2 -0.56 -0.05 -0.05 -0.04 3.06 2.36 2b42B1 TYR 166 HB3 -0.90 0.02 0.07 -0.04 2.98 2.13 2b42B1 TYR 166 HD2 -0.10 0.03 -0.18 -0.04 7.15 6.87 2b42B1 TYR 166 HE2 0.01 0.02 -0.15 -0.04 6.85 6.69 2b42B1 GLN 167 H 0.22 0.36 0.08 -0.55 8.47 8.59 2b42B1 GLN 167 HA 0.05 0.20 0.83 -0.75 4.36 4.68 2b42B1 GLN 167 HB2 0.24 0.10 -0.13 -0.04 2.15 2.32 2b42B1 GLN 167 HB3 0.32 -0.05 0.08 -0.04 2.02 2.33 2b42B1 GLN 167 HG2 0.25 -0.03 -0.17 -0.04 2.40 2.41 2b42B1 GLN 167 HG3 0.07 0.03 -0.07 -0.04 2.39 2.38 2b42B1 GLN 167 HE21 -0.10 0.24 -0.01 -0.04 6.97 7.07 2b42B1 GLN 167 HE22 -0.26 0.02 -0.11 -0.04 7.69 7.31 2b42B1 VAL 168 H 0.13 0.84 0.32 -0.55 8.24 8.98 2b42B1 VAL 168 HA 0.13 0.16 0.97 -0.75 4.13 4.64 2b42B1 VAL 168 HB 0.06 0.04 -0.56 -0.04 2.12 1.61 2b42B1 VAL 168 HG13 0.22 -0.05 -0.51 -0.04 0.97 0.59 2b42B1 VAL 168 HG23 0.19 0.02 -0.29 -0.04 0.95 0.83 2b42B1 MET 169 H 0.07 0.68 0.28 -0.55 8.47 8.95 2b42B1 MET 169 HA 0.05 0.10 0.86 -0.75 4.52 4.77 2b42B1 MET 169 HB2 0.09 -0.01 0.11 -0.04 2.15 2.29 2b42B1 MET 169 HB3 0.12 -0.00 0.18 -0.04 2.03 2.29 2b42B1 MET 169 HG2 -0.36 -0.02 -0.12 -0.04 2.63 2.08 2b42B1 MET 169 HG3 -0.25 0.02 -0.21 -0.04 2.56 2.07 2b42B1 MET 169 HE3 -0.63 -0.01 -0.23 -0.04 2.10 1.19 2b42B1 ALA 170 H 0.07 0.81 0.24 -0.55 8.40 8.98 2b42B1 ALA 170 HA 0.07 0.20 0.75 -0.75 4.34 4.61 2b42B1 ALA 170 HB3 0.05 -0.01 -0.21 -0.04 1.41 1.21 2b42B1 THR 171 H 0.18 0.86 0.38 -0.55 8.28 9.15 2b42B1 THR 171 HA 0.27 0.31 0.91 -0.75 4.39 5.12 2b42B1 THR 171 HB 0.39 -0.06 0.13 -0.04 4.32 4.74 2b42B1 THR 171 HG23 0.41 -0.01 -0.25 -0.04 1.22 1.32 2b42B1 GLU 172 H 0.11 0.61 0.23 -0.55 8.60 9.01 2b42B1 GLU 172 HA -0.46 0.34 1.04 -0.75 4.29 4.46 2b42B1 GLU 172 HB2 -0.03 -0.00 -0.00 -0.04 2.09 2.01 2b42B1 GLU 172 HB3 0.07 -0.08 0.11 -0.04 1.99 2.05 2b42B1 GLU 172 HG2 -0.17 -0.09 -0.25 -0.04 2.34 1.79 2b42B1 GLU 172 HG3 -0.23 0.14 -0.06 -0.04 2.34 2.16 2b42B1 GLY 173 H -1.52 0.51 0.24 -0.55 8.43 7.11 2b42B1 GLY 173 HA2 -0.39 0.18 0.83 -0.51 4.01 4.12 2b42B1 GLY 173 HA3 -1.11 0.00 0.22 -0.51 4.01 2.60 2b42B1 TYR 174 H -0.30 0.52 0.04 -0.55 8.29 7.99 2b42B1 TYR 174 HA -0.04 0.35 0.39 -0.75 4.56 4.51 2b42B1 TYR 174 HB2 -0.02 0.01 0.07 -0.04 3.06 3.08 2b42B1 TYR 174 HB3 -0.10 0.01 -0.05 -0.04 2.98 2.80 2b42B1 TYR 174 HD2 -0.14 0.00 -0.34 -0.04 7.15 6.64 2b42B1 TYR 174 HE2 -0.21 0.02 -0.13 -0.04 6.85 6.48 2b42B1 GLN 175 H 0.18 0.47 0.09 -0.55 8.47 8.67 2b42B1 GLN 175 HA 0.11 0.29 0.34 -0.75 4.36 4.35 2b42B1 GLN 175 HB2 0.10 -0.00 0.17 -0.04 2.15 2.38 2b42B1 GLN 175 HB3 0.09 -0.00 0.21 -0.04 2.02 2.28 2b42B1 GLN 175 HG2 0.30 -0.05 -0.05 -0.04 2.40 2.56 2b42B1 GLN 175 HG3 0.21 -0.01 -0.02 -0.04 2.39 2.53 2b42B1 GLN 175 HE21 0.07 -0.02 0.06 -0.04 6.97 7.04 2b42B1 GLN 175 HE22 0.11 -0.03 0.06 -0.04 7.69 7.79 2b42B1 SER 176 H 0.21 0.08 -0.25 -0.55 8.46 7.96 2b42B1 SER 176 HA 0.09 0.18 0.84 -0.75 4.49 4.84 2b42B1 SER 176 HB2 0.14 0.09 -0.10 -0.04 3.95 4.04 2b42B1 SER 176 HB3 0.04 -0.10 -0.21 -0.04 3.93 3.63 2b42B1 SER 177 H -0.04 0.60 0.30 -0.55 8.46 8.77 2b42B1 SER 177 HA -0.39 0.08 0.40 -0.75 4.49 3.82 2b42B1 SER 177 HB2 -0.20 0.05 0.18 -0.04 3.95 3.94 2b42B1 SER 177 HB3 -0.32 0.14 0.28 -0.04 3.93 4.00 2b42B1 GLY 178 H -1.42 0.67 0.36 -0.55 8.43 7.49 2b42B1 GLY 178 HA2 -0.87 0.20 0.47 -0.51 4.01 3.30 2b42B1 GLY 178 HA3 -2.07 0.02 0.52 -0.51 4.01 1.96 2b42B1 SER 179 H -0.57 0.55 0.21 -0.55 8.46 8.11 2b42B1 SER 179 HA -0.04 0.34 0.99 -0.75 4.49 5.03 2b42B1 SER 179 HB2 -0.13 -0.04 0.01 -0.04 3.95 3.75 2b42B1 SER 179 HB3 -0.01 0.01 0.04 -0.04 3.93 3.93 2b42B1 SER 180 H 0.24 0.64 0.36 -0.55 8.46 9.16 2b42B1 SER 180 HA 0.37 0.29 0.69 -0.75 4.49 5.08 2b42B1 SER 180 HB2 0.70 -0.01 -0.27 -0.04 3.95 4.33 2b42B1 SER 180 HB3 0.44 -0.13 -0.02 -0.04 3.93 4.18 2b42B1 ASN 181 H 0.20 0.56 0.22 -0.55 8.53 8.96 2b42B1 ASN 181 HA 0.02 0.25 0.72 -0.75 4.76 5.00 2b42B1 ASN 181 HB2 0.08 0.04 0.03 -0.04 2.88 2.99 2b42B1 ASN 181 HB3 0.08 -0.18 0.19 -0.04 2.79 2.85 2b42B1 ASN 181 HD21 0.04 -0.02 -0.04 -0.04 7.03 6.97 2b42B1 ASN 181 HD22 0.05 -0.00 0.03 -0.04 7.74 7.78 2b42B1 VAL 182 H -0.34 0.66 0.33 -0.55 8.24 8.34 2b42B1 VAL 182 HA 0.04 0.23 1.15 -0.75 4.13 4.80 2b42B1 VAL 182 HB -0.87 0.01 0.03 -0.04 2.12 1.24 2b42B1 VAL 182 HG13 0.06 -0.00 -0.23 -0.04 0.97 0.75 2b42B1 VAL 182 HG23 -0.05 -0.01 -0.20 -0.04 0.95 0.65 2b42B1 THR 183 H 0.20 0.42 0.31 -0.55 8.28 8.67 2b42B1 THR 183 HA 0.17 0.22 0.88 -0.75 4.39 4.91 2b42B1 THR 183 HB 0.32 -0.05 0.18 -0.04 4.32 4.73 2b42B1 THR 183 HG23 0.16 0.00 -0.14 -0.04 1.22 1.21 2b42B1 VAL 184 H 0.28 0.53 0.21 -0.55 8.24 8.71 2b42B1 VAL 184 HA 0.26 0.24 1.01 -0.75 4.13 4.89 2b42B1 VAL 184 HB 0.10 0.00 0.18 -0.04 2.12 2.36 2b42B1 VAL 184 HG13 -0.04 0.02 0.00 -0.04 0.97 0.91 2b42B1 VAL 184 HG23 0.22 0.02 -0.02 -0.04 0.95 1.13 2b42B1 TRP 185 H -0.02 0.75 0.26 -0.55 7.97 8.41 2b42B1 TRP 185 HA 0.22 0.09 0.10 -0.75 4.62 4.28 2b42B1 TRP 185 HB2 0.15 0.07 0.15 -0.04 3.23 3.56 2b42B1 TRP 185 HB3 0.11 0.11 0.09 -0.04 3.23 3.50 2b42B1 TRP 185 HD1 0.11 0.04 0.03 -0.04 7.22 7.36 2b42B1 TRP 185 HE1 0.06 0.00 -0.02 -0.04 10.20 10.20 2b42B1 TRP 185 HE3 0.11 -0.09 -0.74 -0.04 7.59 6.82 2b42B1 TRP 185 HZ2 0.03 0.00 -0.07 -0.04 7.44 7.36 2b42B1 TRP 185 HZ3 0.08 0.03 -0.16 -0.04 7.13 7.04 2b42B1 TRP 185 HH2 0.03 -0.02 -0.16 -0.04 7.19 6.99