============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 32 0.840 58.075 42.553 1.415 -99.200 -91.000 PHE 34 1.000 55.095 46.516 -2.098 -99.200 -91.000 PHE 36 1.000 59.580 48.836 -1.559 -99.200 -91.000 TRP 39 1.040 57.406 57.269 -12.603 -99.200 -91.000 TRP6 39 1.020 58.987 57.953 -14.208 -99.200 -91.000 PHE 40 1.000 58.975 62.139 -5.569 -99.200 -91.000 TYR 53 0.840 50.767 55.776 -3.634 -99.200 -91.000 PHE 66 1.000 50.247 63.878 -15.025 -99.200 -91.000 PHE 75 1.000 59.691 49.548 -12.316 -99.200 -91.000 HIS 80 0.900 46.587 59.705 -25.091 -99.200 -91.000 TYR 90 0.840 56.775 65.325 -15.776 -99.200 -91.000 PHE 91 1.000 64.016 65.295 -11.054 -99.200 -91.000 TRP 100 1.040 65.163 54.815 0.612 -99.200 -91.000 TRP6 100 1.020 64.628 56.055 2.556 -99.200 -91.000 PHE 102 1.000 64.568 61.822 -5.382 -99.200 -91.000 PHE 122 1.000 64.849 97.370 -22.825 -99.200 -91.000 PHE 139 1.000 65.028 92.130 -21.161 -99.200 -91.000 PHE 143 1.000 63.341 82.467 -28.313 -99.200 -91.000 TYR 144 0.840 58.434 75.505 -29.896 -99.200 -91.000 TRP 152 1.040 75.239 91.703 -27.652 -99.200 -91.000 TRP6 152 1.020 73.927 93.630 -27.296 -99.200 -91.000 TRP 167 1.040 68.204 80.443 -24.451 -99.200 -91.000 TRP6 167 1.020 70.540 80.730 -24.352 -99.200 -91.000 TYR 177 0.840 61.502 76.887 -24.889 -99.200 -91.000 TYR 190 0.840 77.342 103.397 -23.803 -99.200 -91.000 HIS 193 0.900 84.400 101.297 -30.347 -99.200 -91.000 TYR 196 0.840 77.659 100.497 -28.004 -99.200 -91.000 HIS 202 0.900 63.250 81.218 -33.689 -99.200 -91.000 PHE 213 1.000 71.960 101.744 -27.584 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2or9L1 ASP 1 HA -0.01 0.02 0.19 -0.75 4.63 4.07 2or9L1 ASP 1 HB2 -0.00 -0.03 0.01 -0.04 2.71 2.65 2or9L1 ASP 1 HB3 0.00 -0.04 -0.13 -0.04 2.70 2.49 2or9L1 ILE 2 H 0.01 0.25 0.00 -0.55 8.25 7.96 2or9L1 ILE 2 HA 0.02 0.12 0.91 -0.75 4.18 4.48 2or9L1 ILE 2 HB 0.03 0.02 0.16 -0.04 1.89 2.05 2or9L1 ILE 2 HG12 0.01 0.06 -0.20 -0.04 1.49 1.33 2or9L1 ILE 2 HG13 0.01 0.05 -0.25 -0.04 1.21 0.98 2or9L1 ILE 2 HG23 0.03 -0.07 -0.06 -0.04 0.93 0.80 2or9L1 ILE 2 HD13 0.01 -0.01 -0.14 -0.04 0.88 0.70 2or9L1 VAL 3 H 0.03 0.17 0.06 -0.55 8.24 7.95 2or9L1 VAL 3 HA 0.04 0.16 0.75 -0.75 4.13 4.33 2or9L1 VAL 3 HB 0.03 -0.02 0.06 -0.04 2.12 2.14 2or9L1 VAL 3 HG13 0.04 0.01 -0.13 -0.04 0.97 0.86 2or9L1 VAL 3 HG23 0.03 0.01 -0.07 -0.04 0.95 0.87 2or9L1 LEU 4 H 0.05 0.22 0.15 -0.55 8.37 8.24 2or9L1 LEU 4 HA 0.05 0.33 1.06 -0.75 4.35 5.03 2or9L1 LEU 4 HB2 0.03 -0.06 -0.02 -0.04 1.64 1.56 2or9L1 LEU 4 HB3 0.01 -0.01 -0.09 -0.04 1.64 1.52 2or9L1 LEU 4 HG 0.02 0.05 -0.14 -0.04 1.64 1.53 2or9L1 LEU 4 HD13 -0.08 0.02 -0.23 -0.04 0.93 0.60 2or9L1 LEU 4 HD23 0.03 -0.01 -0.30 -0.04 0.89 0.58 2or9L1 THR 5 H 0.06 0.89 0.39 -0.55 8.28 9.06 2or9L1 THR 5 HA 0.06 0.12 1.02 -0.75 4.39 4.84 2or9L1 THR 5 HB 0.05 -0.02 0.16 -0.04 4.32 4.47 2or9L1 THR 5 HG23 0.05 0.00 -0.11 -0.04 1.22 1.12 2or9L1 GLN 6 H 0.07 0.13 0.23 -0.55 8.47 8.35 2or9L1 GLN 6 HA 0.12 0.26 0.98 -0.75 4.36 4.97 2or9L1 GLN 6 HB2 0.09 -0.31 0.21 -0.04 2.15 2.10 2or9L1 GLN 6 HB3 0.10 0.20 -0.05 -0.04 2.02 2.23 2or9L1 GLN 6 HG2 0.25 0.24 0.02 -0.04 2.40 2.87 2or9L1 GLN 6 HG3 0.12 -0.05 0.06 -0.04 2.39 2.49 2or9L1 GLN 6 HE21 0.17 0.92 0.39 -0.04 6.97 8.41 2or9L1 GLN 6 HE22 0.31 0.07 -0.10 -0.04 7.69 7.92 2or9L1 SER 7 H 0.13 0.46 0.22 -0.55 8.46 8.72 2or9L1 SER 7 HA 0.06 0.06 0.64 -0.75 4.49 4.49 2or9L1 SER 7 HB2 0.05 -0.04 0.05 -0.04 3.95 3.97 2or9L1 SER 7 HB3 0.05 0.02 -0.22 -0.04 3.93 3.74 2or9L1 PRO 8 HA 0.04 0.03 0.41 -0.51 4.44 4.41 2or9L1 PRO 8 HB2 0.03 -0.01 0.23 -0.04 2.28 2.48 2or9L1 PRO 8 HB3 0.03 -0.01 0.19 -0.04 2.02 2.18 2or9L1 PRO 8 HG2 0.03 0.06 -0.18 -0.04 2.03 1.90 2or9L1 PRO 8 HG3 0.02 0.01 0.12 -0.04 2.03 2.14 2or9L1 PRO 8 HD2 0.04 0.08 0.36 -0.04 3.68 4.12 2or9L1 PRO 8 HD3 0.03 0.10 0.33 -0.04 3.65 4.06 2or9L1 ALA 9 H 0.03 0.06 0.23 -0.55 8.40 8.17 2or9L1 ALA 9 HA 0.04 0.26 0.65 -0.75 4.34 4.53 2or9L1 ALA 9 HB3 0.02 -0.01 0.16 -0.04 1.41 1.54 2or9L1 SER 10 H 0.02 0.07 0.16 -0.55 8.46 8.16 2or9L1 SER 10 HA 0.04 0.24 0.98 -0.75 4.49 4.99 2or9L1 SER 10 HB2 0.03 0.01 0.11 -0.04 3.95 4.06 2or9L1 SER 10 HB3 0.01 -0.02 -0.06 -0.04 3.93 3.81 2or9L1 LEU 11 H 0.05 0.36 0.25 -0.55 8.37 8.47 2or9L1 LEU 11 HA 0.03 0.02 0.65 -0.75 4.35 4.29 2or9L1 LEU 11 HB2 0.02 0.11 -0.39 -0.04 1.64 1.34 2or9L1 LEU 11 HB3 0.02 -0.00 -0.04 -0.04 1.64 1.57 2or9L1 LEU 11 HG -0.00 -0.00 -0.23 -0.04 1.64 1.37 2or9L1 LEU 11 HD13 0.01 -0.01 0.10 -0.04 0.93 0.98 2or9L1 LEU 11 HD23 -0.04 -0.01 -0.13 -0.04 0.89 0.67 2or9L1 ALA 12 H 0.04 0.21 0.16 -0.55 8.40 8.27 2or9L1 ALA 12 HA 0.08 0.43 0.96 -0.75 4.34 5.05 2or9L1 ALA 12 HB3 0.10 -0.02 -0.01 -0.04 1.41 1.44 2or9L1 VAL 13 H 0.04 0.72 0.34 -0.55 8.24 8.78 2or9L1 VAL 13 HA 0.01 0.14 0.97 -0.75 4.13 4.50 2or9L1 VAL 13 HB -0.02 -0.00 -0.10 -0.04 2.12 1.96 2or9L1 VAL 13 HG13 -0.04 0.09 -0.24 -0.04 0.97 0.73 2or9L1 VAL 13 HG23 -0.02 -0.02 -0.27 -0.04 0.95 0.60 2or9L1 SER 14 H -0.01 0.12 0.16 -0.55 8.46 8.17 2or9L1 SER 14 HA -0.03 0.29 0.66 -0.75 4.49 4.65 2or9L1 SER 14 HB2 -0.03 -0.05 0.07 -0.04 3.95 3.91 2or9L1 SER 14 HB3 -0.04 0.05 0.12 -0.04 3.93 4.02 2or9L1 LEU 15 H -0.05 0.17 0.18 -0.55 8.37 8.13 2or9L1 LEU 15 HA -0.06 0.12 0.43 -0.75 4.35 4.09 2or9L1 LEU 15 HB2 -0.05 0.01 0.17 -0.04 1.64 1.72 2or9L1 LEU 15 HB3 -0.05 0.00 0.09 -0.04 1.64 1.64 2or9L1 LEU 15 HG -0.05 0.03 0.05 -0.04 1.64 1.64 2or9L1 LEU 15 HD13 -0.04 -0.01 -0.18 -0.04 0.93 0.66 2or9L1 LEU 15 HD23 -0.04 -0.01 0.02 -0.04 0.89 0.83 2or9L1 GLY 16 H -0.10 0.61 0.34 -0.55 8.43 8.73 2or9L1 GLY 16 HA2 -0.15 -0.01 0.40 -0.51 4.01 3.75 2or9L1 GLY 16 HA3 -0.10 0.13 0.75 -0.51 4.01 4.28 2or9L1 GLN 17 H -0.09 0.38 -0.37 -0.55 8.47 7.84 2or9L1 GLN 17 HA -0.08 0.10 0.54 -0.75 4.36 4.17 2or9L1 GLN 17 HB2 -0.05 0.18 0.04 -0.04 2.15 2.27 2or9L1 GLN 17 HB3 -0.03 -0.03 0.18 -0.04 2.02 2.10 2or9L1 GLN 17 HG2 -0.04 0.02 -0.18 -0.04 2.40 2.16 2or9L1 GLN 17 HG3 -0.03 -0.15 0.01 -0.04 2.39 2.18 2or9L1 GLN 17 HE21 -0.00 0.01 0.04 -0.04 6.97 6.97 2or9L1 GLN 17 HE22 -0.01 -0.06 0.05 -0.04 7.69 7.63 2or9L1 ARG 18 H 0.01 0.10 0.19 -0.55 8.46 8.21 2or9L1 ARG 18 HA -0.04 0.38 1.01 -0.75 4.34 4.94 2or9L1 ARG 18 HB2 0.43 -0.01 0.03 -0.04 1.90 2.31 2or9L1 ARG 18 HB3 0.07 -0.06 0.09 -0.04 1.80 1.86 2or9L1 ARG 18 HG2 -0.02 -0.02 -0.43 -0.04 1.67 1.16 2or9L1 ARG 18 HG3 0.03 0.06 -0.13 -0.04 1.67 1.59 2or9L1 ARG 18 HD2 -0.01 -0.04 -0.10 -0.04 3.22 3.02 2or9L1 ARG 18 HD3 -0.04 0.01 -0.14 -0.04 3.22 3.01 2or9L1 ALA 19 H -0.09 0.66 0.30 -0.55 8.40 8.72 2or9L1 ALA 19 HA -0.06 0.11 0.83 -0.75 4.34 4.47 2or9L1 ALA 19 HB3 -0.13 0.00 -0.05 -0.04 1.41 1.19 2or9L1 THR 20 H -0.06 0.19 0.05 -0.55 8.28 7.91 2or9L1 THR 20 HA -0.12 0.38 1.16 -0.75 4.39 5.06 2or9L1 THR 20 HB -0.03 -0.04 0.12 -0.04 4.32 4.33 2or9L1 THR 20 HG23 -0.03 0.01 -0.17 -0.04 1.22 0.99 2or9L1 ILE 21 H -0.18 0.44 0.19 -0.55 8.25 8.15 2or9L1 ILE 21 HA 0.02 0.19 0.84 -0.75 4.18 4.47 2or9L1 ILE 21 HB -0.27 -0.07 0.06 -0.04 1.89 1.57 2or9L1 ILE 21 HG12 -0.01 0.07 -0.18 -0.04 1.49 1.33 2or9L1 ILE 21 HG13 -0.13 -0.13 -0.30 -0.04 1.21 0.61 2or9L1 ILE 21 HG23 0.29 0.02 -0.19 -0.04 0.93 1.01 2or9L1 ILE 21 HD13 -0.24 0.00 -0.16 -0.04 0.88 0.44 2or9L1 SER 22 H 0.14 0.66 0.40 -0.55 8.46 9.11 2or9L1 SER 22 HA 0.26 0.19 1.16 -0.75 4.49 5.34 2or9L1 SER 22 HB2 0.11 0.13 0.20 -0.04 3.95 4.34 2or9L1 SER 22 HB3 0.13 -0.05 0.11 -0.04 3.93 4.08 2or9L1 CYS 23 H 0.28 0.69 0.36 -0.55 8.50 9.29 2or9L1 CYS 23 HA 0.14 0.14 0.77 -0.75 4.58 4.88 2or9L1 CYS 23 HB2 0.02 0.02 -0.26 -0.04 2.97 2.72 2or9L1 CYS 23 HB3 0.21 -0.03 -0.07 -0.04 2.97 3.04 2or9L1 ARG 24 H 0.09 0.62 0.35 -0.55 8.46 8.97 2or9L1 ARG 24 HA 0.11 0.35 1.23 -0.75 4.34 5.27 2or9L1 ARG 24 HB2 0.07 -0.05 0.06 -0.04 1.90 1.94 2or9L1 ARG 24 HB3 0.06 -0.06 0.11 -0.04 1.80 1.86 2or9L1 ARG 24 HG2 0.04 0.14 0.11 -0.04 1.67 1.92 2or9L1 ARG 24 HG3 0.02 -0.06 0.08 -0.04 1.67 1.68 2or9L1 ARG 24 HD2 0.02 -0.05 -0.01 -0.04 3.22 3.14 2or9L1 ARG 24 HD3 0.03 -0.04 -0.01 -0.04 3.22 3.16 2or9L1 ALA 25 H 0.11 0.65 0.37 -0.55 8.40 8.98 2or9L1 ALA 25 HA 0.07 0.19 1.04 -0.75 4.34 4.89 2or9L1 ALA 25 HB3 0.13 -0.03 -0.01 -0.04 1.41 1.46 2or9L1 SER 26 H 0.05 0.28 0.15 -0.55 8.46 8.39 2or9L1 SER 26 HA 0.03 0.03 0.45 -0.75 4.49 4.25 2or9L1 SER 26 HB2 0.03 -0.14 0.27 -0.04 3.95 4.06 2or9L1 SER 26 HB3 0.02 0.02 0.13 -0.04 3.93 4.06 2or9L1 GLU 27 H 0.03 0.03 0.04 -0.55 8.60 8.15 2or9L1 GLU 27 HA 0.02 0.16 0.72 -0.75 4.29 4.44 2or9L1 GLU 27 HB2 0.02 0.04 -0.05 -0.04 2.09 2.06 2or9L1 GLU 27 HB3 0.01 -0.04 0.12 -0.04 1.99 2.04 2or9L1 GLU 27 HG2 0.01 0.02 -0.04 -0.04 2.34 2.29 2or9L1 GLU 27 HG3 0.02 -0.10 -0.00 -0.04 2.34 2.21 2or9L1 SER 27 H 0.02 0.11 0.10 -0.55 8.46 8.14 2or9L1 SER 27 HA 0.08 0.14 0.44 -0.75 4.49 4.39 2or9L1 SER 27 HB2 0.02 0.02 0.07 -0.04 3.95 4.02 2or9L1 SER 27 HB3 0.01 0.05 0.13 -0.04 3.93 4.08 2or9L1 VAL 27 H 0.17 0.55 0.26 -0.55 8.24 8.67 2or9L1 VAL 27 HA 0.08 0.18 0.72 -0.75 4.13 4.35 2or9L1 VAL 27 HB 0.17 0.06 -0.02 -0.04 2.12 2.29 2or9L1 VAL 27 HG13 0.11 -0.11 -0.02 -0.04 0.97 0.92 2or9L1 VAL 27 HG23 0.09 0.05 -0.09 -0.04 0.95 0.95 2or9L1 ASP 27 H 0.11 -0.02 -0.05 -0.55 8.40 7.89 2or9L1 ASP 27 HA 0.08 0.21 0.61 -0.75 4.63 4.77 2or9L1 ASP 27 HB2 0.02 -0.02 0.06 -0.04 2.71 2.73 2or9L1 ASP 27 HB3 -0.00 0.01 0.03 -0.04 2.70 2.69 2or9L1 ASN 27 H -0.15 0.59 0.31 -0.55 8.53 8.73 2or9L1 ASN 27 HA -0.28 -0.01 0.42 -0.75 4.76 4.14 2or9L1 ASN 27 HB2 -0.02 0.34 -0.24 -0.04 2.88 2.91 2or9L1 ASN 27 HB3 0.14 -0.05 -0.10 -0.04 2.79 2.74 2or9L1 ASN 27 HD21 -0.25 -0.03 0.03 -0.04 7.03 6.74 2or9L1 ASN 27 HD22 -0.14 0.08 0.02 -0.04 7.74 7.66 2or9L1 TYR 28 H -0.54 0.19 0.14 -0.55 8.29 7.53 2or9L1 TYR 28 HA -0.07 0.05 0.36 -0.75 4.56 4.14 2or9L1 TYR 28 HB2 -0.62 0.12 -0.11 -0.04 3.06 2.41 2or9L1 TYR 28 HB3 0.04 0.03 0.18 -0.04 2.98 3.18 2or9L1 TYR 28 HD2 -0.03 0.03 -0.08 -0.04 7.15 7.02 2or9L1 TYR 28 HE2 0.09 0.03 -0.01 -0.04 6.85 6.91 2or9L1 GLY 29 H -0.16 -0.02 -0.74 -0.55 8.43 6.96 2or9L1 GLY 29 HA2 0.02 -0.04 0.30 -0.51 4.01 3.78 2or9L1 GLY 29 HA3 0.10 0.23 0.92 -0.51 4.01 4.74 2or9L1 PHE 30 H -0.49 0.58 0.06 -0.55 8.34 7.93 2or9L1 PHE 30 HA 0.01 0.22 0.85 -0.75 4.62 4.95 2or9L1 PHE 30 HB2 -0.11 -0.10 0.20 -0.04 3.15 3.09 2or9L1 PHE 30 HB3 -0.04 0.06 -0.00 -0.04 3.06 3.03 2or9L1 PHE 30 HD2 -0.26 -0.02 -0.23 -0.04 7.28 6.72 2or9L1 PHE 30 HE2 -0.67 -0.01 -0.10 -0.04 7.38 6.56 2or9L1 PHE 30 HZ 0.04 -0.02 -0.09 -0.04 7.32 7.21 2or9L1 SER 31 H 0.21 0.31 0.13 -0.55 8.46 8.57 2or9L1 SER 31 HA 0.13 0.31 0.70 -0.75 4.49 4.88 2or9L1 SER 31 HB2 -0.01 -0.01 -0.14 -0.04 3.95 3.75 2or9L1 SER 31 HB3 0.11 0.01 -0.23 -0.04 3.93 3.78 2or9L1 PHE 32 H 0.47 0.46 0.08 -0.55 8.34 8.79 2or9L1 PHE 32 HA 0.05 0.13 0.55 -0.75 4.62 4.59 2or9L1 PHE 32 HB2 -0.01 -0.07 0.18 -0.04 3.15 3.21 2or9L1 PHE 32 HB3 -0.05 -0.08 0.01 -0.04 3.06 2.91 2or9L1 PHE 32 HD2 0.01 0.11 -0.05 -0.04 7.28 7.31 2or9L1 PHE 32 HE2 0.04 -0.00 -0.10 -0.04 7.38 7.27 2or9L1 PHE 32 HZ 0.38 -0.02 -0.09 -0.04 7.32 7.55 2or9L1 MET 33 H -0.14 0.44 -0.30 -0.55 8.47 7.92 2or9L1 MET 33 HA -0.28 0.30 0.80 -0.75 4.52 4.58 2or9L1 MET 33 HB2 -0.98 -0.04 -0.22 -0.04 2.15 0.87 2or9L1 MET 33 HB3 -0.43 -0.09 -0.03 -0.04 2.03 1.43 2or9L1 MET 33 HG2 -0.87 0.03 -0.20 -0.04 2.63 1.55 2or9L1 MET 33 HG3 -0.38 0.00 -0.32 -0.04 2.56 1.82 2or9L1 MET 33 HE3 -0.68 -0.14 -0.09 -0.04 2.10 1.15 2or9L1 ASN 34 H -0.27 0.85 0.30 -0.55 8.53 8.86 2or9L1 ASN 34 HA -0.07 0.16 0.81 -0.75 4.76 4.92 2or9L1 ASN 34 HB2 -0.05 -0.07 -0.08 -0.04 2.88 2.64 2or9L1 ASN 34 HB3 -0.20 0.15 0.05 -0.04 2.79 2.74 2or9L1 ASN 34 HD21 -0.05 -0.06 -0.34 -0.04 7.03 6.54 2or9L1 ASN 34 HD22 -0.08 0.04 -0.40 -0.04 7.74 7.25 2or9L1 TRP 35 H 0.12 0.39 0.22 -0.55 7.97 8.15 2or9L1 TRP 35 HA 0.16 0.32 1.22 -0.75 4.62 5.57 2or9L1 TRP 35 HB2 0.02 -0.09 0.05 -0.04 3.23 3.17 2or9L1 TRP 35 HB3 0.14 0.10 -0.04 -0.04 3.23 3.38 2or9L1 TRP 35 HD1 0.00 -0.02 -0.26 -0.04 7.22 6.90 2or9L1 TRP 35 HE1 0.08 0.03 -0.26 -0.04 10.20 10.02 2or9L1 TRP 35 HE3 0.23 0.14 -0.24 -0.04 7.59 7.68 2or9L1 TRP 35 HZ2 0.13 -0.01 -0.43 -0.04 7.44 7.09 2or9L1 TRP 35 HZ3 0.14 0.03 -0.34 -0.04 7.13 6.92 2or9L1 TRP 35 HH2 0.10 0.09 -0.52 -0.04 7.19 6.81 2or9L1 PHE 36 H 0.65 0.68 0.38 -0.55 8.34 9.50 2or9L1 PHE 36 HA 0.19 0.23 1.10 -0.75 4.62 5.39 2or9L1 PHE 36 HB2 0.34 -0.08 -0.02 -0.04 3.15 3.35 2or9L1 PHE 36 HB3 0.18 -0.00 -0.10 -0.04 3.06 3.10 2or9L1 PHE 36 HD2 0.12 -0.00 -0.46 -0.04 7.28 6.90 2or9L1 PHE 36 HE2 -0.05 -0.01 -0.20 -0.04 7.38 7.09 2or9L1 PHE 36 HZ -0.00 -0.00 -0.14 -0.04 7.32 7.13 2or9L1 GLN 37 H 0.21 0.77 0.37 -0.55 8.47 9.27 2or9L1 GLN 37 HA -0.21 0.29 1.12 -0.75 4.36 4.80 2or9L1 GLN 37 HB2 -0.04 -0.01 -0.06 -0.04 2.15 2.00 2or9L1 GLN 37 HB3 -0.05 -0.01 0.12 -0.04 2.02 2.04 2or9L1 GLN 37 HG2 -0.17 -0.06 -0.39 -0.04 2.40 1.73 2or9L1 GLN 37 HG3 -0.66 0.07 -0.09 -0.04 2.39 1.67 2or9L1 GLN 37 HE21 0.16 -0.04 -0.11 -0.04 6.97 6.94 2or9L1 GLN 37 HE22 0.26 0.08 -0.10 -0.04 7.69 7.89 2or9L1 GLN 38 H -0.08 0.91 0.27 -0.55 8.47 9.03 2or9L1 GLN 38 HA 0.04 0.22 1.02 -0.75 4.36 4.89 2or9L1 GLN 38 HB2 0.17 -0.09 -0.10 -0.04 2.15 2.09 2or9L1 GLN 38 HB3 0.31 -0.06 0.07 -0.04 2.02 2.30 2or9L1 GLN 38 HG2 0.07 -0.08 -0.44 -0.04 2.40 1.91 2or9L1 GLN 38 HG3 0.04 0.22 -0.24 -0.04 2.39 2.37 2or9L1 GLN 38 HE21 -0.06 -0.11 -0.00 -0.04 6.97 6.75 2or9L1 GLN 38 HE22 -0.02 0.61 0.15 -0.04 7.69 8.39 2or9L1 LYS 39 H -0.00 0.21 0.02 -0.55 8.42 8.09 2or9L1 LYS 39 HA -0.01 0.14 0.81 -0.75 4.32 4.50 2or9L1 LYS 39 HB2 0.00 -0.04 0.07 -0.04 1.87 1.86 2or9L1 LYS 39 HB3 0.01 0.06 0.04 -0.04 1.79 1.86 2or9L1 LYS 39 HG2 0.00 0.21 0.00 -0.04 1.46 1.64 2or9L1 LYS 39 HG3 -0.03 -0.11 -0.12 -0.04 1.46 1.17 2or9L1 LYS 39 HD2 0.01 -0.07 -0.02 -0.04 1.69 1.57 2or9L1 LYS 39 HD3 0.01 -0.03 0.01 -0.04 1.68 1.63 2or9L1 LYS 39 HE2 0.05 0.33 0.03 -0.04 2.99 3.36 2or9L1 LYS 39 HE3 0.03 -0.10 -0.05 -0.04 2.99 2.83 2or9L1 PRO 40 HA 0.03 -0.03 0.40 -0.51 4.44 4.33 2or9L1 PRO 40 HB2 0.03 0.00 0.00 -0.04 2.28 2.28 2or9L1 PRO 40 HB3 0.04 0.00 0.12 -0.04 2.02 2.15 2or9L1 PRO 40 HG2 0.02 0.03 0.07 -0.04 2.03 2.11 2or9L1 PRO 40 HG3 0.03 0.04 0.06 -0.04 2.03 2.12 2or9L1 PRO 40 HD2 0.02 0.19 0.27 -0.04 3.68 4.12 2or9L1 PRO 40 HD3 0.03 0.11 0.25 -0.04 3.65 3.99 2or9L1 GLY 41 H 0.02 0.10 0.17 -0.55 8.43 8.18 2or9L1 GLY 41 HA2 0.01 -0.04 0.34 -0.51 4.01 3.81 2or9L1 GLY 41 HA3 0.01 0.06 0.46 -0.51 4.01 4.03 2or9L1 GLN 42 H 0.01 0.33 -0.18 -0.55 8.47 8.09 2or9L1 GLN 42 HA 0.00 0.16 0.93 -0.75 4.36 4.70 2or9L1 GLN 42 HB2 0.01 0.08 -0.02 -0.04 2.15 2.18 2or9L1 GLN 42 HB3 0.01 0.06 0.08 -0.04 2.02 2.12 2or9L1 GLN 42 HG2 0.00 -0.00 -0.09 -0.04 2.40 2.27 2or9L1 GLN 42 HG3 0.01 0.09 -0.38 -0.04 2.39 2.07 2or9L1 GLN 42 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.88 2or9L1 GLN 42 HE22 0.00 -0.02 -0.02 -0.04 7.69 7.62 2or9L1 PRO 43 HA -0.04 0.07 0.55 -0.51 4.44 4.52 2or9L1 PRO 43 HB2 -0.01 0.10 0.04 -0.04 2.28 2.37 2or9L1 PRO 43 HB3 -0.02 -0.04 0.09 -0.04 2.02 2.02 2or9L1 PRO 43 HG2 0.01 0.07 0.08 -0.04 2.03 2.15 2or9L1 PRO 43 HG3 0.00 -0.01 0.08 -0.04 2.03 2.06 2or9L1 PRO 43 HD2 0.00 0.09 0.23 -0.04 3.68 3.97 2or9L1 PRO 43 HD3 -0.00 0.11 0.16 -0.04 3.65 3.87 2or9L1 PRO 44 HA 0.07 0.12 0.38 -0.51 4.44 4.50 2or9L1 PRO 44 HB2 -0.01 -0.02 -0.14 -0.04 2.28 2.07 2or9L1 PRO 44 HB3 -0.10 -0.00 -0.03 -0.04 2.02 1.84 2or9L1 PRO 44 HG2 -0.14 0.01 0.00 -0.04 2.03 1.85 2or9L1 PRO 44 HG3 -0.35 0.02 0.01 -0.04 2.03 1.66 2or9L1 PRO 44 HD2 -0.10 0.04 0.20 -0.04 3.68 3.79 2or9L1 PRO 44 HD3 -0.14 0.14 0.16 -0.04 3.65 3.77 2or9L1 LYS 45 H 0.17 0.57 0.31 -0.55 8.42 8.92 2or9L1 LYS 45 HA 0.13 0.12 0.90 -0.75 4.32 4.72 2or9L1 LYS 45 HB2 0.04 0.09 0.07 -0.04 1.87 2.02 2or9L1 LYS 45 HB3 0.03 -0.06 0.12 -0.04 1.79 1.84 2or9L1 LYS 45 HG2 0.03 -0.05 0.09 -0.04 1.46 1.49 2or9L1 LYS 45 HG3 0.01 -0.01 0.01 -0.04 1.46 1.42 2or9L1 LYS 45 HD2 -0.05 -0.06 -0.15 -0.04 1.69 1.40 2or9L1 LYS 45 HD3 -0.01 0.16 -0.32 -0.04 1.68 1.47 2or9L1 LYS 45 HE2 -0.02 -0.06 -0.02 -0.04 2.99 2.85 2or9L1 LYS 45 HE3 -0.04 0.08 -0.09 -0.04 2.99 2.91 2or9L1 LEU 46 H 0.09 0.15 0.12 -0.55 8.37 8.18 2or9L1 LEU 46 HA -0.47 0.07 0.56 -0.75 4.35 3.76 2or9L1 LEU 46 HB2 -0.05 -0.01 0.05 -0.04 1.64 1.59 2or9L1 LEU 46 HB3 -0.05 -0.02 0.12 -0.04 1.64 1.66 2or9L1 LEU 46 HG -0.09 0.01 -0.46 -0.04 1.64 1.06 2or9L1 LEU 46 HD13 -0.55 0.04 -0.06 -0.04 0.93 0.31 2or9L1 LEU 46 HD23 -0.12 -0.02 -0.12 -0.04 0.89 0.59 2or9L1 LEU 47 H -0.17 0.61 0.45 -0.55 8.37 8.72 2or9L1 LEU 47 HA -0.09 0.16 0.83 -0.75 4.35 4.49 2or9L1 LEU 47 HB2 0.10 0.04 -0.07 -0.04 1.64 1.67 2or9L1 LEU 47 HB3 -0.03 -0.01 -0.17 -0.04 1.64 1.39 2or9L1 LEU 47 HG 0.01 0.00 -0.20 -0.04 1.64 1.40 2or9L1 LEU 47 HD13 0.23 -0.00 -0.24 -0.04 0.93 0.87 2or9L1 LEU 47 HD23 -0.46 0.02 -0.10 -0.04 0.89 0.30 2or9L1 ILE 48 H 0.01 0.33 0.31 -0.55 8.25 8.36 2or9L1 ILE 48 HA 0.00 0.61 0.91 -0.75 4.18 4.94 2or9L1 ILE 48 HB 0.29 -0.19 -0.11 -0.04 1.89 1.85 2or9L1 ILE 48 HG12 0.06 -0.19 -0.60 -0.04 1.49 0.72 2or9L1 ILE 48 HG13 0.01 0.01 -0.33 -0.04 1.21 0.85 2or9L1 ILE 48 HG23 0.01 0.06 -0.49 -0.04 0.93 0.46 2or9L1 ILE 48 HD13 0.01 0.09 -0.37 -0.04 0.88 0.57 2or9L1 TYR 49 H -0.29 0.60 0.19 -0.55 8.29 8.25 2or9L1 TYR 49 HA -0.11 0.11 0.74 -0.75 4.56 4.54 2or9L1 TYR 49 HB2 -0.14 -0.03 0.02 -0.04 3.06 2.87 2or9L1 TYR 49 HB3 -0.14 0.03 -0.18 -0.04 2.98 2.65 2or9L1 TYR 49 HD2 -0.13 -0.01 -0.30 -0.04 7.15 6.67 2or9L1 TYR 49 HE2 -0.09 0.13 -0.16 -0.04 6.85 6.68 2or9L1 ALA 50 H -0.04 0.18 0.14 -0.55 8.40 8.13 2or9L1 ALA 50 HA -0.11 0.24 0.52 -0.75 4.34 4.24 2or9L1 ALA 50 HB3 -0.21 0.03 0.10 -0.04 1.41 1.28 2or9L1 ILE 51 H -0.07 0.39 -0.10 -0.55 8.25 7.92 2or9L1 ILE 51 HA 0.04 -0.01 0.22 -0.75 4.18 3.67 2or9L1 ILE 51 HB 0.05 0.23 0.38 -0.04 1.89 2.50 2or9L1 ILE 51 HG12 0.09 -0.02 -0.17 -0.04 1.49 1.34 2or9L1 ILE 51 HG13 0.03 -0.11 -0.38 -0.04 1.21 0.70 2or9L1 ILE 51 HG23 0.20 0.04 -0.33 -0.04 0.93 0.80 2or9L1 ILE 51 HD13 0.21 0.05 -0.05 -0.04 0.88 1.05 2or9L1 SER 52 H -0.09 0.32 -0.14 -0.55 8.46 8.01 2or9L1 SER 52 HA -0.01 0.12 0.92 -0.75 4.49 4.77 2or9L1 SER 52 HB2 -0.02 -0.04 0.24 -0.04 3.95 4.09 2or9L1 SER 52 HB3 0.02 0.23 -0.10 -0.04 3.93 4.04 2or9L1 ASN 53 H -0.33 0.32 0.10 -0.55 8.53 8.07 2or9L1 ASN 53 HA -0.25 0.07 0.69 -0.75 4.76 4.52 2or9L1 ASN 53 HB2 -1.77 0.06 0.19 -0.04 2.88 1.32 2or9L1 ASN 53 HB3 -0.98 0.06 0.02 -0.04 2.79 1.85 2or9L1 ASN 53 HD21 -0.16 -0.02 0.02 -0.04 7.03 6.83 2or9L1 ASN 53 HD22 -0.20 0.03 0.05 -0.04 7.74 7.58 2or9L1 ARG 54 H -0.09 0.08 0.24 -0.55 8.46 8.13 2or9L1 ARG 54 HA -0.01 0.26 0.66 -0.75 4.34 4.49 2or9L1 ARG 54 HB2 0.01 -0.14 0.18 -0.04 1.90 1.90 2or9L1 ARG 54 HB3 0.02 0.14 0.12 -0.04 1.80 2.04 2or9L1 ARG 54 HG2 0.04 0.05 -0.02 -0.04 1.67 1.70 2or9L1 ARG 54 HG3 -0.00 -0.04 0.10 -0.04 1.67 1.68 2or9L1 ARG 54 HD2 0.05 0.26 -0.11 -0.04 3.22 3.38 2or9L1 ARG 54 HD3 0.07 0.17 -0.13 -0.04 3.22 3.29 2or9L1 GLY 55 H 0.02 0.60 0.21 -0.55 8.43 8.72 2or9L1 GLY 55 HA2 0.15 -0.01 0.41 -0.51 4.01 4.05 2or9L1 GLY 55 HA3 0.03 0.14 0.16 -0.51 4.01 3.82 2or9L1 SER 56 H 0.00 0.06 0.10 -0.55 8.46 8.08 2or9L1 SER 56 HA 0.02 0.02 0.46 -0.75 4.49 4.23 2or9L1 SER 56 HB2 -0.00 0.01 -0.00 -0.04 3.95 3.91 2or9L1 SER 56 HB3 -0.01 -0.00 0.10 -0.04 3.93 3.98 2or9L1 GLY 57 H 0.01 0.09 0.17 -0.55 8.43 8.16 2or9L1 GLY 57 HA2 0.01 -0.04 0.29 -0.51 4.01 3.75 2or9L1 GLY 57 HA3 0.00 0.07 0.46 -0.51 4.01 4.04 2or9L1 VAL 58 H 0.01 0.32 -0.14 -0.55 8.24 7.87 2or9L1 VAL 58 HA -0.04 0.20 0.91 -0.75 4.13 4.45 2or9L1 VAL 58 HB -0.00 0.02 0.15 -0.04 2.12 2.25 2or9L1 VAL 58 HG13 -0.14 0.03 -0.05 -0.04 0.97 0.77 2or9L1 VAL 58 HG23 -0.07 -0.00 -0.21 -0.04 0.95 0.63 2or9L1 PRO 59 HA 0.08 0.03 0.49 -0.51 4.44 4.53 2or9L1 PRO 59 HB2 0.10 -0.07 0.05 -0.04 2.28 2.32 2or9L1 PRO 59 HB3 0.09 0.04 0.09 -0.04 2.02 2.20 2or9L1 PRO 59 HG2 0.48 -0.01 0.07 -0.04 2.03 2.53 2or9L1 PRO 59 HG3 0.22 0.05 0.06 -0.04 2.03 2.31 2or9L1 PRO 59 HD2 0.08 0.13 0.25 -0.04 3.68 4.09 2or9L1 PRO 59 HD3 0.08 0.23 0.11 -0.04 3.65 4.03 2or9L1 ALA 60 H 0.05 0.10 0.19 -0.55 8.40 8.19 2or9L1 ALA 60 HA 0.05 0.20 0.40 -0.75 4.34 4.23 2or9L1 ALA 60 HB3 0.01 -0.01 0.13 -0.04 1.41 1.50 2or9L1 ARG 61 H 0.04 -0.09 -0.73 -0.55 8.46 7.13 2or9L1 ARG 61 HA -0.10 0.18 0.33 -0.75 4.34 4.00 2or9L1 ARG 61 HB2 -0.31 -0.01 -0.07 -0.04 1.90 1.47 2or9L1 ARG 61 HB3 -0.35 0.05 -0.09 -0.04 1.80 1.37 2or9L1 ARG 61 HG2 -0.09 0.08 -0.04 -0.04 1.67 1.57 2or9L1 ARG 61 HG3 -0.03 -0.14 -0.03 -0.04 1.67 1.44 2or9L1 ARG 61 HD2 -0.03 -0.05 -0.04 -0.04 3.22 3.07 2or9L1 ARG 61 HD3 0.04 -0.04 -0.03 -0.04 3.22 3.16 2or9L1 PHE 62 H 0.20 0.52 -0.25 -0.55 8.34 8.26 2or9L1 PHE 62 HA -0.08 0.33 0.98 -0.75 4.62 5.10 2or9L1 PHE 62 HB2 -0.02 0.06 0.02 -0.04 3.15 3.17 2or9L1 PHE 62 HB3 -0.06 -0.06 -0.08 -0.04 3.06 2.82 2or9L1 PHE 62 HD2 -0.03 0.09 -0.05 -0.04 7.28 7.25 2or9L1 PHE 62 HE2 0.06 -0.02 -0.08 -0.04 7.38 7.30 2or9L1 PHE 62 HZ 0.08 -0.02 -0.10 -0.04 7.32 7.23 2or9L1 SER 63 H -0.05 0.46 0.36 -0.55 8.46 8.69 2or9L1 SER 63 HA -0.00 0.14 0.70 -0.75 4.49 4.58 2or9L1 SER 63 HB2 -0.02 -0.01 0.07 -0.04 3.95 3.95 2or9L1 SER 63 HB3 -0.02 0.14 -0.13 -0.04 3.93 3.88 2or9L1 GLY 64 H -0.01 0.21 0.27 -0.55 8.43 8.36 2or9L1 GLY 64 HA2 -0.03 0.26 1.15 -0.51 4.01 4.88 2or9L1 GLY 64 HA3 0.08 0.22 0.47 -0.51 4.01 4.28 2or9L1 SER 65 H 0.18 0.40 0.40 -0.55 8.46 8.89 2or9L1 SER 65 HA 0.10 0.15 0.73 -0.75 4.49 4.72 2or9L1 SER 65 HB2 0.04 -0.10 0.10 -0.04 3.95 3.95 2or9L1 SER 65 HB3 0.03 0.08 -0.20 -0.04 3.93 3.80 2or9L1 GLY 66 H 0.07 0.09 0.14 -0.55 8.43 8.18 2or9L1 GLY 66 HA2 -0.07 -0.04 0.42 -0.51 4.01 3.81 2or9L1 GLY 66 HA3 -0.06 0.30 1.12 -0.51 4.01 4.86 2or9L1 SER 67 H -0.41 0.41 0.33 -0.55 8.46 8.25 2or9L1 SER 67 HA 0.22 0.11 0.49 -0.75 4.49 4.56 2or9L1 SER 67 HB2 0.04 -0.07 0.08 -0.04 3.95 3.96 2or9L1 SER 67 HB3 0.05 0.14 -0.14 -0.04 3.93 3.93 2or9L1 GLY 68 H 0.11 0.15 0.08 -0.55 8.43 8.23 2or9L1 GLY 68 HA2 0.06 -0.03 0.41 -0.51 4.01 3.95 2or9L1 GLY 68 HA3 -0.03 0.08 0.51 -0.51 4.01 4.06 2or9L1 THR 69 H -0.11 0.19 0.36 -0.55 8.28 8.16 2or9L1 THR 69 HA 0.16 0.18 0.93 -0.75 4.39 4.91 2or9L1 THR 69 HB 0.04 0.14 0.19 -0.04 4.32 4.65 2or9L1 THR 69 HG23 0.04 0.04 -0.32 -0.04 1.22 0.94 2or9L1 ASP 70 H -0.48 0.37 0.19 -0.55 8.40 7.93 2or9L1 ASP 70 HA -0.10 0.32 1.27 -0.75 4.63 5.37 2or9L1 ASP 70 HB2 -0.19 -0.06 0.20 -0.04 2.71 2.62 2or9L1 ASP 70 HB3 -0.11 0.04 0.02 -0.04 2.70 2.61 2or9L1 PHE 71 H 0.16 0.73 0.40 -0.55 8.34 9.08 2or9L1 PHE 71 HA 0.14 0.21 0.96 -0.75 4.62 5.17 2or9L1 PHE 71 HB2 0.18 -0.04 -0.09 -0.04 3.15 3.17 2or9L1 PHE 71 HB3 0.29 0.11 0.09 -0.04 3.06 3.51 2or9L1 PHE 71 HD2 0.08 0.17 -0.35 -0.04 7.28 7.13 2or9L1 PHE 71 HE2 0.05 0.06 -0.45 -0.04 7.38 7.00 2or9L1 PHE 71 HZ 0.05 -0.07 -0.44 -0.04 7.32 6.82 2or9L1 SER 72 H 0.38 0.47 0.32 -0.55 8.46 9.08 2or9L1 SER 72 HA 0.43 0.12 0.77 -0.75 4.49 5.06 2or9L1 SER 72 HB2 0.03 0.14 -0.02 -0.04 3.95 4.06 2or9L1 SER 72 HB3 0.13 -0.02 -0.04 -0.04 3.93 3.96 2or9L1 LEU 73 H -0.36 0.70 0.33 -0.55 8.37 8.50 2or9L1 LEU 73 HA -0.63 0.22 0.90 -0.75 4.35 4.09 2or9L1 LEU 73 HB2 -2.76 -0.05 -0.03 -0.04 1.64 -1.24 2or9L1 LEU 73 HB3 -0.82 -0.08 0.04 -0.04 1.64 0.73 2or9L1 LEU 73 HG -1.19 -0.05 -0.10 -0.04 1.64 0.26 2or9L1 LEU 73 HD13 -0.33 -0.01 -0.15 -0.04 0.93 0.40 2or9L1 LEU 73 HD23 -0.21 0.02 -0.11 -0.04 0.89 0.55 2or9L1 ASN 74 H -0.22 0.65 0.38 -0.55 8.53 8.79 2or9L1 ASN 74 HA -0.17 0.28 1.15 -0.75 4.76 5.26 2or9L1 ASN 74 HB2 -0.10 0.03 0.07 -0.04 2.88 2.84 2or9L1 ASN 74 HB3 -0.09 -0.02 -0.05 -0.04 2.79 2.59 2or9L1 ASN 74 HD21 -0.04 -0.06 -0.29 -0.04 7.03 6.59 2or9L1 ASN 74 HD22 -0.07 0.11 -0.32 -0.04 7.74 7.42 2or9L1 ILE 75 H -0.17 0.50 0.25 -0.55 8.25 8.28 2or9L1 ILE 75 HA -0.40 0.51 0.98 -0.75 4.18 4.52 2or9L1 ILE 75 HB -0.25 -0.12 0.13 -0.04 1.89 1.61 2or9L1 ILE 75 HG12 -0.46 0.08 -0.20 -0.04 1.49 0.87 2or9L1 ILE 75 HG13 -0.29 -0.08 -0.45 -0.04 1.21 0.36 2or9L1 ILE 75 HG23 -0.54 0.00 -0.23 -0.04 0.93 0.13 2or9L1 ILE 75 HD13 -0.30 -0.02 -0.15 -0.04 0.88 0.37 2or9L1 HIS 76 H -0.15 0.63 0.12 -0.55 8.41 8.46 2or9L1 HIS 76 HA -0.13 0.06 0.59 -0.75 4.63 4.39 2or9L1 HIS 76 HB2 -0.11 -0.05 -0.18 -0.04 3.26 2.88 2or9L1 HIS 76 HB3 -0.10 0.03 0.02 -0.04 3.20 3.11 2or9L1 HIS 76 HD2 -0.07 0.01 -0.38 -0.04 6.97 6.49 2or9L1 HIS 76 HE1 -0.04 -0.04 -0.02 -0.04 7.75 7.60 2or9L1 PRO 77 HA -0.58 0.24 0.20 -0.51 4.44 3.80 2or9L1 PRO 77 HB2 -0.23 -0.07 0.06 -0.04 2.28 2.00 2or9L1 PRO 77 HB3 -0.40 0.10 0.11 -0.04 2.02 1.79 2or9L1 PRO 77 HG2 -0.14 -0.04 -0.14 -0.04 2.03 1.68 2or9L1 PRO 77 HG3 -0.12 -0.00 0.03 -0.04 2.03 1.90 2or9L1 PRO 77 HD2 -0.10 0.04 0.34 -0.04 3.68 3.93 2or9L1 PRO 77 HD3 -0.09 0.08 0.15 -0.04 3.65 3.75 2or9L1 VAL 78 H -0.20 0.35 0.04 -0.55 8.24 7.89 2or9L1 VAL 78 HA -0.17 0.12 0.62 -0.75 4.13 3.94 2or9L1 VAL 78 HB -0.10 -0.00 0.01 -0.04 2.12 1.99 2or9L1 VAL 78 HG13 -0.05 -0.01 -0.24 -0.04 0.97 0.63 2or9L1 VAL 78 HG23 -0.14 0.05 -0.15 -0.04 0.95 0.67 2or9L1 GLU 79 H -0.06 0.19 0.11 -0.55 8.60 8.29 2or9L1 GLU 79 HA -0.04 0.19 0.93 -0.75 4.29 4.61 2or9L1 GLU 79 HB2 0.01 -0.01 0.00 -0.04 2.09 2.05 2or9L1 GLU 79 HB3 -0.01 -0.05 0.11 -0.04 1.99 2.00 2or9L1 GLU 79 HG2 -0.06 0.05 -0.25 -0.04 2.34 2.04 2or9L1 GLU 79 HG3 -0.08 0.10 -0.30 -0.04 2.34 2.03 2or9L1 GLU 80 H -0.02 0.16 0.14 -0.55 8.60 8.34 2or9L1 GLU 80 HA -0.01 0.06 0.35 -0.75 4.29 3.94 2or9L1 GLU 80 HB2 -0.00 -0.09 0.14 -0.04 2.09 2.09 2or9L1 GLU 80 HB3 -0.01 0.28 0.08 -0.04 1.99 2.30 2or9L1 GLU 80 HG2 -0.02 0.11 0.08 -0.04 2.34 2.47 2or9L1 GLU 80 HG3 -0.03 -0.02 0.07 -0.04 2.34 2.32 2or9L1 ASP 81 H 0.03 -0.03 -0.29 -0.55 8.40 7.56 2or9L1 ASP 81 HA 0.04 0.10 0.37 -0.75 4.63 4.38 2or9L1 ASP 81 HB2 0.04 -0.06 0.06 -0.04 2.71 2.70 2or9L1 ASP 81 HB3 0.08 -0.02 -0.04 -0.04 2.70 2.68 2or9L1 ASP 82 H 0.07 0.45 -0.38 -0.55 8.40 8.00 2or9L1 ASP 82 HA 0.22 0.14 0.44 -0.75 4.63 4.67 2or9L1 ASP 82 HB2 0.08 0.05 -0.06 -0.04 2.71 2.74 2or9L1 ASP 82 HB3 0.24 -0.03 -0.05 -0.04 2.70 2.82 2or9L1 PRO 83 HA 0.14 0.17 0.47 -0.51 4.44 4.70 2or9L1 PRO 83 HB2 0.05 -0.01 0.10 -0.04 2.28 2.37 2or9L1 PRO 83 HB3 0.05 -0.20 0.17 -0.04 2.02 1.99 2or9L1 PRO 83 HG2 0.03 -0.00 0.04 -0.04 2.03 2.06 2or9L1 PRO 83 HG3 0.01 0.01 0.08 -0.04 2.03 2.09 2or9L1 PRO 83 HD2 0.06 0.12 -0.35 -0.04 3.68 3.46 2or9L1 PRO 83 HD3 0.04 -0.02 0.07 -0.04 3.65 3.69 2or9L1 ALA 84 H 0.23 0.20 0.46 -0.55 8.40 8.74 2or9L1 ALA 84 HA 0.03 -0.01 0.47 -0.75 4.34 4.08 2or9L1 ALA 84 HB3 -0.12 0.07 -0.10 -0.04 1.41 1.22 2or9L1 MET 85 H -0.09 0.71 0.34 -0.55 8.47 8.88 2or9L1 MET 85 HA -0.02 0.18 0.86 -0.75 4.52 4.79 2or9L1 MET 85 HB2 0.07 0.12 0.21 -0.04 2.15 2.50 2or9L1 MET 85 HB3 -0.29 -0.04 -0.05 -0.04 2.03 1.62 2or9L1 MET 85 HG2 0.03 -0.03 -0.03 -0.04 2.63 2.56 2or9L1 MET 85 HG3 0.07 -0.02 -0.02 -0.04 2.56 2.56 2or9L1 MET 85 HE3 -0.31 0.01 -0.14 -0.04 2.10 1.61 2or9L1 TYR 86 H -0.01 0.35 0.29 -0.55 8.29 8.37 2or9L1 TYR 86 HA 0.23 0.32 1.15 -0.75 4.56 5.51 2or9L1 TYR 86 HB2 0.12 0.01 0.13 -0.04 3.06 3.28 2or9L1 TYR 86 HB3 0.29 -0.01 -0.00 -0.04 2.98 3.22 2or9L1 TYR 86 HD2 0.10 0.09 -0.15 -0.04 7.15 7.16 2or9L1 TYR 86 HE2 0.11 0.00 -0.10 -0.04 6.85 6.83 2or9L1 PHE 87 H 0.65 0.45 0.26 -0.55 8.34 9.14 2or9L1 PHE 87 HA 0.26 0.13 1.01 -0.75 4.62 5.26 2or9L1 PHE 87 HB2 0.37 -0.05 -0.06 -0.04 3.15 3.36 2or9L1 PHE 87 HB3 0.28 0.02 -0.04 -0.04 3.06 3.28 2or9L1 PHE 87 HD2 0.13 0.14 -0.24 -0.04 7.28 7.28 2or9L1 PHE 87 HE2 0.01 0.07 -0.13 -0.04 7.38 7.29 2or9L1 PHE 87 HZ -0.01 0.01 -0.08 -0.04 7.32 7.20 2or9L1 CYS 88 H 0.09 0.12 0.19 -0.55 8.50 8.35 2or9L1 CYS 88 HA -0.61 0.33 1.07 -0.75 4.58 4.61 2or9L1 CYS 88 HB2 -1.15 0.06 -0.07 -0.04 2.97 1.77 2or9L1 CYS 88 HB3 -2.42 0.04 -0.14 -0.04 2.97 0.41 2or9L1 GLN 89 H -0.16 1.02 0.38 -0.55 8.47 9.16 2or9L1 GLN 89 HA -0.23 0.27 1.02 -0.75 4.36 4.66 2or9L1 GLN 89 HB2 -1.02 -0.05 -0.10 -0.04 2.15 0.94 2or9L1 GLN 89 HB3 -0.00 -0.02 -0.05 -0.04 2.02 1.90 2or9L1 GLN 89 HG2 -0.22 0.05 -0.48 -0.04 2.40 1.71 2or9L1 GLN 89 HG3 -0.61 0.06 -0.21 -0.04 2.39 1.60 2or9L1 GLN 89 HE21 -0.10 -0.03 -0.11 -0.04 6.97 6.68 2or9L1 GLN 89 HE22 -1.33 0.02 -0.12 -0.04 7.69 6.22 2or9L1 GLN 90 H -0.14 0.45 0.20 -0.55 8.47 8.44 2or9L1 GLN 90 HA -0.08 0.39 1.01 -0.75 4.36 4.92 2or9L1 GLN 90 HB2 -0.05 -0.00 -0.03 -0.04 2.15 2.02 2or9L1 GLN 90 HB3 -0.01 0.13 0.16 -0.04 2.02 2.26 2or9L1 GLN 90 HG2 0.04 -0.25 0.15 -0.04 2.40 2.30 2or9L1 GLN 90 HG3 0.03 0.03 -0.01 -0.04 2.39 2.40 2or9L1 GLN 90 HE21 0.14 0.55 0.02 -0.04 6.97 7.64 2or9L1 GLN 90 HE22 0.05 -0.14 -0.00 -0.04 7.69 7.56 2or9L1 THR 91 H 0.08 0.34 0.28 -0.55 8.28 8.44 2or9L1 THR 91 HA -0.08 0.19 0.74 -0.75 4.39 4.49 2or9L1 THR 91 HB -0.54 -0.01 0.14 -0.04 4.32 3.87 2or9L1 THR 91 HG23 -0.47 0.00 -0.21 -0.04 1.22 0.49 2or9L1 LYS 92 H 0.02 0.11 0.14 -0.55 8.42 8.14 2or9L1 LYS 92 HA -1.18 0.09 0.50 -0.75 4.32 2.97 2or9L1 LYS 92 HB2 -0.01 -0.09 0.20 -0.04 1.87 1.93 2or9L1 LYS 92 HB3 -0.06 0.04 0.04 -0.04 1.79 1.78 2or9L1 LYS 92 HG2 -0.21 -0.01 0.09 -0.04 1.46 1.29 2or9L1 LYS 92 HG3 -0.42 -0.04 0.07 -0.04 1.46 1.03 2or9L1 LYS 92 HD2 0.05 0.00 -0.11 -0.04 1.69 1.59 2or9L1 LYS 92 HD3 -0.02 0.08 0.08 -0.04 1.68 1.79 2or9L1 LYS 92 HE2 -0.09 -0.11 0.02 -0.04 2.99 2.77 2or9L1 LYS 92 HE3 -0.07 -0.00 -0.01 -0.04 2.99 2.86 2or9L1 GLU 93 H 0.21 0.14 -0.40 -0.55 8.60 8.00 2or9L1 GLU 93 HA 0.15 0.03 0.27 -0.75 4.29 3.98 2or9L1 GLU 93 HB2 -0.01 -0.03 0.11 -0.04 2.09 2.12 2or9L1 GLU 93 HB3 -0.03 0.15 -0.33 -0.04 1.99 1.74 2or9L1 GLU 93 HG2 0.01 -0.13 -0.25 -0.04 2.34 1.94 2or9L1 GLU 93 HG3 -0.02 0.26 -0.52 -0.04 2.34 2.02 2or9L1 VAL 94 H -0.09 0.11 0.06 -0.55 8.24 7.77 2or9L1 VAL 94 HA -0.72 -0.08 0.35 -0.75 4.13 2.93 2or9L1 VAL 94 HB -0.28 0.01 0.10 -0.04 2.12 1.91 2or9L1 VAL 94 HG13 -0.37 -0.00 -0.08 -0.04 0.97 0.48 2or9L1 VAL 94 HG23 -1.03 -0.01 0.00 -0.04 0.95 -0.13 2or9L1 PRO 95 HA -0.44 -0.02 0.40 -0.51 4.44 3.87 2or9L1 PRO 95 HB2 -0.07 0.06 -0.06 -0.04 2.28 2.16 2or9L1 PRO 95 HB3 -0.14 0.02 0.08 -0.04 2.02 1.94 2or9L1 PRO 95 HG2 -0.03 -0.02 0.05 -0.04 2.03 1.99 2or9L1 PRO 95 HG3 -0.05 0.04 0.06 -0.04 2.03 2.04 2or9L1 PRO 95 HD2 -0.06 0.12 0.36 -0.04 3.68 4.07 2or9L1 PRO 95 HD3 -0.09 0.08 0.14 -0.04 3.65 3.74 2or9L1 TRP 96 H -0.22 0.10 0.10 -0.55 7.97 7.41 2or9L1 TRP 96 HA -0.06 0.18 0.74 -0.75 4.62 4.73 2or9L1 TRP 96 HB2 -0.04 -0.08 0.24 -0.04 3.23 3.31 2or9L1 TRP 96 HB3 -0.10 0.26 0.24 -0.04 3.23 3.59 2or9L1 TRP 96 HD1 -0.06 0.09 -0.41 -0.04 7.22 6.81 2or9L1 TRP 96 HE1 -0.06 0.00 -0.29 -0.04 10.20 9.82 2or9L1 TRP 96 HE3 0.01 0.01 0.03 -0.04 7.59 7.60 2or9L1 TRP 96 HZ2 -0.00 0.01 -0.05 -0.04 7.44 7.35 2or9L1 TRP 96 HZ3 0.01 -0.00 -0.00 -0.04 7.13 7.10 2or9L1 TRP 96 HH2 0.01 -0.00 -0.02 -0.04 7.19 7.14 2or9L1 THR 97 H 0.09 0.27 0.16 -0.55 8.28 8.26 2or9L1 THR 97 HA 0.16 0.09 0.74 -0.75 4.39 4.63 2or9L1 THR 97 HB 0.09 0.04 0.05 -0.04 4.32 4.46 2or9L1 THR 97 HG23 0.04 0.03 -0.10 -0.04 1.22 1.16 2or9L1 PHE 98 H 0.41 0.12 0.22 -0.55 8.34 8.54 2or9L1 PHE 98 HA 0.03 0.08 0.78 -0.75 4.62 4.75 2or9L1 PHE 98 HB2 -0.03 0.00 0.10 -0.04 3.15 3.18 2or9L1 PHE 98 HB3 0.03 0.04 -0.01 -0.04 3.06 3.07 2or9L1 PHE 98 HD2 -0.11 -0.04 -0.02 -0.04 7.28 7.06 2or9L1 PHE 98 HE2 -0.58 0.00 -0.06 -0.04 7.38 6.70 2or9L1 PHE 98 HZ -0.35 -0.01 -0.07 -0.04 7.32 6.86 2or9L1 GLY 99 H 0.18 0.47 0.30 -0.55 8.43 8.84 2or9L1 GLY 99 HA2 0.11 0.13 0.48 -0.51 4.01 4.21 2or9L1 GLY 99 HA3 0.10 -0.10 0.42 -0.51 4.01 3.92 2or9L1 GLY 100 H 0.11 0.07 0.24 -0.55 8.43 8.30 2or9L1 GLY 100 HA2 0.15 0.08 0.48 -0.51 4.01 4.22 2or9L1 GLY 100 HA3 0.09 0.02 0.44 -0.51 4.01 4.05 2or9L1 GLY 101 H 0.08 -0.11 -0.16 -0.55 8.43 7.70 2or9L1 GLY 101 HA2 -0.37 0.20 0.38 -0.51 4.01 3.72 2or9L1 GLY 101 HA3 -0.53 0.15 0.73 -0.51 4.01 3.85 2or9L1 THR 102 H -0.06 0.41 0.34 -0.55 8.28 8.42 2or9L1 THR 102 HA 0.03 0.45 1.03 -0.75 4.39 5.15 2or9L1 THR 102 HB 0.17 -0.09 0.08 -0.04 4.32 4.44 2or9L1 THR 102 HG23 0.06 -0.03 -0.43 -0.04 1.22 0.78 2or9L1 LYS 103 H 0.03 0.68 0.43 -0.55 8.42 9.01 2or9L1 LYS 103 HA 0.09 0.22 0.88 -0.75 4.32 4.75 2or9L1 LYS 103 HB2 0.03 0.00 0.09 -0.04 1.87 1.95 2or9L1 LYS 103 HB3 0.04 -0.07 0.23 -0.04 1.79 1.95 2or9L1 LYS 103 HG2 0.08 -0.07 -0.33 -0.04 1.46 1.10 2or9L1 LYS 103 HG3 0.08 0.09 -0.03 -0.04 1.46 1.55 2or9L1 LYS 103 HD2 0.03 -0.03 -0.03 -0.04 1.69 1.62 2or9L1 LYS 103 HD3 0.08 -0.04 -0.07 -0.04 1.68 1.61 2or9L1 LYS 103 HE2 0.04 0.03 -0.03 -0.04 2.99 2.99 2or9L1 LYS 103 HE3 0.04 -0.03 -0.03 -0.04 2.99 2.94 2or9L1 LEU 104 H 0.18 0.71 0.41 -0.55 8.37 9.12 2or9L1 LEU 104 HA 0.07 0.18 1.02 -0.75 4.35 4.87 2or9L1 LEU 104 HB2 0.05 0.00 -0.11 -0.04 1.64 1.54 2or9L1 LEU 104 HB3 0.32 0.00 0.16 -0.04 1.64 2.08 2or9L1 LEU 104 HG 0.07 -0.01 -0.52 -0.04 1.64 1.13 2or9L1 LEU 104 HD13 -0.03 -0.00 -0.16 -0.04 0.93 0.69 2or9L1 LEU 104 HD23 0.00 0.03 -0.27 -0.04 0.89 0.61 2or9L1 GLU 105 H 0.08 1.04 0.47 -0.55 8.60 9.64 2or9L1 GLU 105 HA 0.10 0.16 1.00 -0.75 4.29 4.79 2or9L1 GLU 105 HB2 0.15 -0.05 0.02 -0.04 2.09 2.18 2or9L1 GLU 105 HB3 0.21 0.05 0.06 -0.04 1.99 2.27 2or9L1 GLU 105 HG2 0.16 0.06 -0.13 -0.04 2.34 2.39 2or9L1 GLU 105 HG3 0.12 -0.05 -0.36 -0.04 2.34 2.01 2or9L1 ILE 106 H 0.06 0.17 0.16 -0.55 8.25 8.09 2or9L1 ILE 106 HA 0.02 0.25 0.58 -0.75 4.18 4.27 2or9L1 ILE 106 HB -0.02 -0.01 0.10 -0.04 1.89 1.92 2or9L1 ILE 106 HG12 0.01 -0.03 0.06 -0.04 1.49 1.50 2or9L1 ILE 106 HG13 -0.02 0.04 0.03 -0.04 1.21 1.22 2or9L1 ILE 106 HG23 -0.06 -0.01 -0.25 -0.04 0.93 0.57 2or9L1 ILE 106 HD13 -0.01 0.02 -0.20 -0.04 0.88 0.65 2or9L1 LYS 107 H 0.01 0.69 -0.07 -0.55 8.42 8.49 2or9L1 LYS 107 HA 0.15 0.09 0.63 -0.75 4.32 4.43 2or9L1 LYS 107 HB2 0.07 -0.05 -0.31 -0.04 1.87 1.54 2or9L1 LYS 107 HB3 0.01 -0.10 -0.26 -0.04 1.79 1.40 2or9L1 LYS 107 HG2 0.02 0.05 -0.26 -0.04 1.46 1.23 2or9L1 LYS 107 HG3 0.15 0.01 -0.05 -0.04 1.46 1.53 2or9L1 LYS 107 HD2 0.03 -0.06 -0.08 -0.04 1.69 1.54 2or9L1 LYS 107 HD3 0.06 0.00 -0.06 -0.04 1.68 1.64 2or9L1 LYS 107 HE2 0.08 -0.04 -0.05 -0.04 2.99 2.94 2or9L1 LYS 107 HE3 0.06 0.04 -0.30 -0.04 2.99 2.75 2or9L1 ARG 108 H -0.81 0.19 0.06 -0.55 8.46 7.35 2or9L1 ARG 108 HA -0.19 0.15 0.82 -0.75 4.34 4.36 2or9L1 ARG 108 HB2 -0.24 -0.12 0.10 -0.04 1.90 1.60 2or9L1 ARG 108 HB3 -0.24 -0.01 -0.20 -0.04 1.80 1.31 2or9L1 ARG 108 HG2 -0.63 0.07 -0.12 -0.04 1.67 0.96 2or9L1 ARG 108 HG3 -1.29 0.01 -0.25 -0.04 1.67 0.10 2or9L1 ARG 108 HD2 -0.16 -0.08 -0.19 -0.04 3.22 2.75 2or9L1 ARG 108 HD3 -0.13 0.10 -0.28 -0.04 3.22 2.87 2or9L1 ALA 109 H -0.15 0.11 0.09 -0.55 8.40 7.89 2or9L1 ALA 109 HA -0.03 0.03 0.53 -0.75 4.34 4.12 2or9L1 ALA 109 HB3 -0.02 0.01 0.08 -0.04 1.41 1.44 2or9L1 ASP 110 H 0.09 0.02 0.15 -0.55 8.40 8.11 2or9L1 ASP 110 HA 0.38 0.19 0.31 -0.75 4.63 4.76 2or9L1 ASP 110 HB2 0.12 -0.07 0.09 -0.04 2.71 2.81 2or9L1 ASP 110 HB3 0.21 0.03 0.06 -0.04 2.70 2.96 2or9L1 ALA 111 H 0.35 0.54 0.38 -0.55 8.40 9.12 2or9L1 ALA 111 HA 0.13 0.06 0.73 -0.75 4.34 4.50 2or9L1 ALA 111 HB3 0.13 0.02 -0.00 -0.04 1.41 1.51 2or9L1 ALA 112 H 0.10 0.11 0.16 -0.55 8.40 8.23 2or9L1 ALA 112 HA 0.10 0.04 0.60 -0.75 4.34 4.33 2or9L1 ALA 112 HB3 0.07 0.02 0.09 -0.04 1.41 1.54 2or9L1 PRO 113 HA 0.14 0.35 0.35 -0.51 4.44 4.77 2or9L1 PRO 113 HB2 -0.10 -0.05 -0.19 -0.04 2.28 1.90 2or9L1 PRO 113 HB3 -0.42 0.03 -0.09 -0.04 2.02 1.50 2or9L1 PRO 113 HG2 -0.09 0.01 0.00 -0.04 2.03 1.92 2or9L1 PRO 113 HG3 -0.25 -0.03 -0.04 -0.04 2.03 1.67 2or9L1 PRO 113 HD2 -0.02 0.06 0.19 -0.04 3.68 3.86 2or9L1 PRO 113 HD3 -0.36 0.12 0.17 -0.04 3.65 3.53 2or9L1 THR 114 H 0.10 0.53 0.20 -0.55 8.28 8.57 2or9L1 THR 114 HA 0.04 0.11 0.73 -0.75 4.39 4.51 2or9L1 THR 114 HB 0.07 -0.11 0.18 -0.04 4.32 4.42 2or9L1 THR 114 HG23 0.05 -0.01 -0.12 -0.04 1.22 1.11 2or9L1 VAL 115 H 0.02 0.19 0.10 -0.55 8.24 7.99 2or9L1 VAL 115 HA 0.06 0.44 1.06 -0.75 4.13 4.94 2or9L1 VAL 115 HB -0.02 -0.02 -0.03 -0.04 2.12 2.01 2or9L1 VAL 115 HG13 -0.05 -0.00 -0.22 -0.04 0.97 0.66 2or9L1 VAL 115 HG23 -0.05 0.02 -0.17 -0.04 0.95 0.71 2or9L1 SER 116 H 0.14 0.53 0.38 -0.55 8.46 8.96 2or9L1 SER 116 HA -0.02 0.16 0.83 -0.75 4.49 4.71 2or9L1 SER 116 HB2 0.50 -0.06 0.09 -0.04 3.95 4.44 2or9L1 SER 116 HB3 0.05 0.02 -0.00 -0.04 3.93 3.95 2or9L1 ILE 117 H -0.24 0.27 0.17 -0.55 8.25 7.90 2or9L1 ILE 117 HA 0.14 0.25 1.04 -0.75 4.18 4.85 2or9L1 ILE 117 HB 0.05 -0.04 -0.23 -0.04 1.89 1.64 2or9L1 ILE 117 HG12 0.46 0.02 -0.29 -0.04 1.49 1.64 2or9L1 ILE 117 HG13 0.35 0.05 -0.06 -0.04 1.21 1.51 2or9L1 ILE 117 HG23 0.08 -0.01 -0.11 -0.04 0.93 0.84 2or9L1 ILE 117 HD13 0.31 -0.03 -0.19 -0.04 0.88 0.92 2or9L1 PHE 118 H 0.29 0.82 0.32 -0.55 8.34 9.22 2or9L1 PHE 118 HA -0.14 0.21 0.98 -0.75 4.62 4.91 2or9L1 PHE 118 HB2 -0.13 -0.10 0.11 -0.04 3.15 2.99 2or9L1 PHE 118 HB3 -0.10 0.08 0.04 -0.04 3.06 3.04 2or9L1 PHE 118 HD2 -0.08 0.10 -0.13 -0.04 7.28 7.13 2or9L1 PHE 118 HE2 0.14 -0.03 -0.12 -0.04 7.38 7.32 2or9L1 PHE 118 HZ 0.19 0.00 -0.07 -0.04 7.32 7.39 2or9L1 PRO 119 HA -0.26 0.09 0.56 -0.51 4.44 4.31 2or9L1 PRO 119 HB2 -0.21 0.11 -0.02 -0.04 2.28 2.12 2or9L1 PRO 119 HB3 -0.50 0.02 0.04 -0.04 2.02 1.55 2or9L1 PRO 119 HG2 -0.38 0.03 0.04 -0.04 2.03 1.69 2or9L1 PRO 119 HG3 -1.24 0.02 -0.04 -0.04 2.03 0.73 2or9L1 PRO 119 HD2 -0.14 0.08 0.19 -0.04 3.68 3.77 2or9L1 PRO 119 HD3 -0.31 0.18 0.27 -0.04 3.65 3.75 2or9L1 PRO 120 HA -0.17 0.10 0.49 -0.51 4.44 4.35 2or9L1 PRO 120 HB2 -0.32 0.06 -0.02 -0.04 2.28 1.96 2or9L1 PRO 120 HB3 -0.29 -0.12 0.13 -0.04 2.02 1.70 2or9L1 PRO 120 HG2 -1.25 0.05 -0.08 -0.04 2.03 0.71 2or9L1 PRO 120 HG3 -0.46 -0.01 -0.32 -0.04 2.03 1.20 2or9L1 PRO 120 HD2 -0.30 0.11 0.10 -0.04 3.68 3.55 2or9L1 PRO 120 HD3 -0.21 0.11 0.09 -0.04 3.65 3.59 2or9L1 SER 121 H -0.09 0.02 0.18 -0.55 8.46 8.02 2or9L1 SER 121 HA -0.04 0.22 0.57 -0.75 4.49 4.48 2or9L1 SER 121 HB2 -0.03 -0.02 0.13 -0.04 3.95 3.99 2or9L1 SER 121 HB3 -0.04 0.13 0.14 -0.04 3.93 4.12 2or9L1 SER 122 H -0.02 0.20 0.17 -0.55 8.46 8.26 2or9L1 SER 122 HA -0.00 0.13 0.34 -0.75 4.49 4.21 2or9L1 SER 122 HB2 -0.00 0.06 0.16 -0.04 3.95 4.13 2or9L1 SER 122 HB3 -0.01 -0.04 0.09 -0.04 3.93 3.93 2or9L1 GLU 123 H -0.02 0.01 -0.33 -0.55 8.60 7.71 2or9L1 GLU 123 HA -0.01 0.16 0.44 -0.75 4.29 4.12 2or9L1 GLU 123 HB2 -0.02 -0.12 0.07 -0.04 2.09 1.98 2or9L1 GLU 123 HB3 -0.02 0.09 -0.07 -0.04 1.99 1.95 2or9L1 GLU 123 HG2 -0.01 0.05 -0.01 -0.04 2.34 2.33 2or9L1 GLU 123 HG3 -0.01 0.05 -0.03 -0.04 2.34 2.31 2or9L1 GLN 124 H -0.04 0.01 -0.07 -0.55 8.47 7.83 2or9L1 GLN 124 HA -0.04 0.03 0.21 -0.75 4.36 3.81 2or9L1 GLN 124 HB2 -0.06 -0.03 0.07 -0.04 2.15 2.09 2or9L1 GLN 124 HB3 -0.08 0.01 0.03 -0.04 2.02 1.94 2or9L1 GLN 124 HG2 -0.09 0.17 -0.73 -0.04 2.40 1.71 2or9L1 GLN 124 HG3 -0.06 0.01 -0.09 -0.04 2.39 2.21 2or9L1 GLN 124 HE21 -0.11 0.03 -0.12 -0.04 6.97 6.74 2or9L1 GLN 124 HE22 -0.08 0.04 -0.13 -0.04 7.69 7.48 2or9L1 LEU 125 H -0.04 0.29 -0.91 -0.55 8.37 7.17 2or9L1 LEU 125 HA -0.03 0.25 0.55 -0.75 4.35 4.36 2or9L1 LEU 125 HB2 -0.02 0.18 -0.02 -0.04 1.64 1.74 2or9L1 LEU 125 HB3 0.01 0.01 0.06 -0.04 1.64 1.68 2or9L1 LEU 125 HG 0.06 -0.06 -0.03 -0.04 1.64 1.57 2or9L1 LEU 125 HD13 -0.08 0.02 -0.03 -0.04 0.93 0.80 2or9L1 LEU 125 HD23 0.07 0.01 -0.12 -0.04 0.89 0.81 2or9L1 THR 126 H -0.01 0.50 0.13 -0.55 8.28 8.36 2or9L1 THR 126 HA 0.00 0.01 0.54 -0.75 4.39 4.19 2or9L1 THR 126 HB 0.00 -0.05 0.22 -0.04 4.32 4.46 2or9L1 THR 126 HG23 0.01 0.02 0.11 -0.04 1.22 1.31 2or9L1 SER 127 H -0.01 0.20 -0.40 -0.55 8.46 7.71 2or9L1 SER 127 HA -0.01 0.06 0.54 -0.75 4.49 4.33 2or9L1 SER 127 HB2 -0.02 0.10 -0.16 -0.04 3.95 3.83 2or9L1 SER 127 HB3 -0.02 -0.08 0.05 -0.04 3.93 3.84 2or9L1 GLY 128 H -0.01 0.37 0.36 -0.55 8.43 8.62 2or9L1 GLY 128 HA2 0.00 -0.05 0.45 -0.51 4.01 3.90 2or9L1 GLY 128 HA3 -0.00 0.10 0.69 -0.51 4.01 4.29 2or9L1 GLY 129 H -0.03 0.62 0.25 -0.55 8.43 8.73 2or9L1 GLY 129 HA2 -0.04 0.12 1.01 -0.51 4.01 4.59 2or9L1 GLY 129 HA3 -0.05 -0.03 0.25 -0.51 4.01 3.67 2or9L1 ALA 130 H -0.10 0.34 0.11 -0.55 8.40 8.21 2or9L1 ALA 130 HA -0.25 0.03 0.59 -0.75 4.34 3.96 2or9L1 ALA 130 HB3 -0.34 0.04 -0.21 -0.04 1.41 0.85 2or9L1 SER 131 H -0.22 0.14 0.11 -0.55 8.46 7.95 2or9L1 SER 131 HA -0.22 0.35 1.15 -0.75 4.49 5.01 2or9L1 SER 131 HB2 -0.13 -0.09 0.04 -0.04 3.95 3.73 2or9L1 SER 131 HB3 -0.14 0.05 -0.16 -0.04 3.93 3.63 2or9L1 VAL 132 H -0.32 0.91 0.32 -0.55 8.24 8.61 2or9L1 VAL 132 HA -0.07 0.27 0.93 -0.75 4.13 4.50 2or9L1 VAL 132 HB -0.50 -0.09 0.14 -0.04 2.12 1.63 2or9L1 VAL 132 HG13 0.48 0.03 -0.16 -0.04 0.97 1.28 2or9L1 VAL 132 HG23 -0.27 -0.00 -0.10 -0.04 0.95 0.54 2or9L1 VAL 133 H 0.02 0.40 0.16 -0.55 8.24 8.27 2or9L1 VAL 133 HA -0.04 0.17 0.90 -0.75 4.13 4.41 2or9L1 VAL 133 HB -0.20 -0.02 0.07 -0.04 2.12 1.93 2or9L1 VAL 133 HG13 -0.83 -0.01 -0.22 -0.04 0.97 -0.13 2or9L1 VAL 133 HG23 -0.16 0.01 -0.16 -0.04 0.95 0.60 2or9L1 CYS 134 H 0.05 0.81 0.39 -0.55 8.50 9.21 2or9L1 CYS 134 HA 0.11 0.27 1.11 -0.75 4.58 5.31 2or9L1 CYS 134 HB2 0.21 -0.03 -0.12 -0.04 2.97 2.98 2or9L1 CYS 134 HB3 0.07 -0.07 0.12 -0.04 2.97 3.04 2or9L1 PHE 135 H 0.20 0.39 0.21 -0.55 8.34 8.58 2or9L1 PHE 135 HA 0.04 0.21 1.15 -0.75 4.62 5.26 2or9L1 PHE 135 HB2 0.19 -0.04 0.15 -0.04 3.15 3.41 2or9L1 PHE 135 HB3 0.07 0.02 -0.04 -0.04 3.06 3.07 2or9L1 PHE 135 HD2 0.02 0.05 -0.03 -0.04 7.28 7.28 2or9L1 PHE 135 HE2 -0.31 0.00 -0.10 -0.04 7.38 6.94 2or9L1 PHE 135 HZ -0.18 -0.00 -0.09 -0.04 7.32 7.01 2or9L1 LEU 136 H 0.16 0.72 0.29 -0.55 8.37 8.99 2or9L1 LEU 136 HA 0.07 0.22 0.74 -0.75 4.35 4.63 2or9L1 LEU 136 HB2 -0.03 -0.03 0.12 -0.04 1.64 1.66 2or9L1 LEU 136 HB3 -0.13 0.01 -0.05 -0.04 1.64 1.43 2or9L1 LEU 136 HG -0.09 0.04 -0.17 -0.04 1.64 1.37 2or9L1 LEU 136 HD13 -0.07 -0.02 -0.51 -0.04 0.93 0.29 2or9L1 LEU 136 HD23 -0.21 -0.01 -0.17 -0.04 0.89 0.46 2or9L1 ASN 137 H 0.13 0.62 0.15 -0.55 8.53 8.89 2or9L1 ASN 137 HA 0.16 0.13 1.17 -0.75 4.76 5.46 2or9L1 ASN 137 HB2 0.06 0.09 0.08 -0.04 2.88 3.07 2or9L1 ASN 137 HB3 0.02 -0.02 0.04 -0.04 2.79 2.79 2or9L1 ASN 137 HD21 -0.31 -0.02 -0.08 -0.04 7.03 6.58 2or9L1 ASN 137 HD22 -0.07 0.03 -0.05 -0.04 7.74 7.61 2or9L1 ASN 138 H 0.01 0.04 0.09 -0.55 8.53 8.12 2or9L1 ASN 138 HA -0.06 0.02 0.27 -0.75 4.76 4.23 2or9L1 ASN 138 HB2 0.04 0.07 0.00 -0.04 2.88 2.95 2or9L1 ASN 138 HB3 0.01 0.01 0.08 -0.04 2.79 2.85 2or9L1 ASN 138 HD21 -0.03 -0.03 -0.03 -0.04 7.03 6.91 2or9L1 ASN 138 HD22 -0.03 -0.00 -0.02 -0.04 7.74 7.64 2or9L1 PHE 139 H -0.40 0.57 0.13 -0.55 8.34 8.09 2or9L1 PHE 139 HA 0.03 0.24 0.68 -0.75 4.62 4.81 2or9L1 PHE 139 HB2 -0.40 0.10 -0.01 -0.04 3.15 2.79 2or9L1 PHE 139 HB3 -0.12 -0.05 -0.36 -0.04 3.06 2.48 2or9L1 PHE 139 HD2 -0.06 0.07 -0.43 -0.04 7.28 6.81 2or9L1 PHE 139 HE2 0.07 0.14 -0.17 -0.04 7.38 7.39 2or9L1 PHE 139 HZ 0.20 -0.03 -0.24 -0.04 7.32 7.22 2or9L1 TYR 140 H 0.36 0.50 0.28 -0.55 8.29 8.87 2or9L1 TYR 140 HA 0.33 0.03 0.54 -0.75 4.56 4.70 2or9L1 TYR 140 HB2 0.08 0.08 -0.25 -0.04 3.06 2.93 2or9L1 TYR 140 HB3 0.14 0.07 -0.06 -0.04 2.98 3.08 2or9L1 TYR 140 HD2 0.10 0.12 -0.29 -0.04 7.15 7.04 2or9L1 TYR 140 HE2 0.12 0.08 0.03 -0.04 6.85 7.04 2or9L1 PRO 141 HA -1.36 0.13 0.32 -0.51 4.44 3.02 2or9L1 PRO 141 HB2 -0.20 -0.12 0.14 -0.04 2.28 2.05 2or9L1 PRO 141 HB3 -0.27 0.08 0.12 -0.04 2.02 1.91 2or9L1 PRO 141 HG2 0.04 0.07 -0.02 -0.04 2.03 2.08 2or9L1 PRO 141 HG3 -0.01 0.04 0.09 -0.04 2.03 2.10 2or9L1 PRO 141 HD2 0.13 0.08 0.29 -0.04 3.68 4.14 2or9L1 PRO 141 HD3 0.21 0.10 0.26 -0.04 3.65 4.18 2or9L1 LYS 142 H -0.37 0.11 0.11 -0.55 8.42 7.72 2or9L1 LYS 142 HA -0.32 0.11 0.30 -0.75 4.32 3.65 2or9L1 LYS 142 HB2 -1.15 0.01 0.11 -0.04 1.87 0.80 2or9L1 LYS 142 HB3 -0.39 -0.04 0.06 -0.04 1.79 1.38 2or9L1 LYS 142 HG2 -0.40 -0.00 -0.12 -0.04 1.46 0.90 2or9L1 LYS 142 HG3 -0.88 0.04 0.02 -0.04 1.46 0.59 2or9L1 LYS 142 HD2 -0.46 -0.00 -0.02 -0.04 1.69 1.17 2or9L1 LYS 142 HD3 -0.39 -0.02 -0.05 -0.04 1.68 1.18 2or9L1 LYS 142 HE2 -0.31 -0.01 -0.03 -0.04 2.99 2.60 2or9L1 LYS 142 HE3 -0.65 -0.03 -0.04 -0.04 2.99 2.24 2or9L1 ASP 143 H -0.04 -0.02 -0.14 -0.55 8.40 7.64 2or9L1 ASP 143 HA 0.04 0.03 0.41 -0.75 4.63 4.36 2or9L1 ASP 143 HB2 -0.00 -0.03 0.08 -0.04 2.71 2.71 2or9L1 ASP 143 HB3 0.00 0.06 -0.02 -0.04 2.70 2.70 2or9L1 ILE 144 H 0.25 0.25 0.28 -0.55 8.25 8.48 2or9L1 ILE 144 HA 0.11 0.15 0.69 -0.75 4.18 4.38 2or9L1 ILE 144 HB -0.15 0.14 -0.35 -0.04 1.89 1.49 2or9L1 ILE 144 HG12 -0.14 -0.06 -0.04 -0.04 1.49 1.21 2or9L1 ILE 144 HG13 -0.08 0.03 -0.04 -0.04 1.21 1.08 2or9L1 ILE 144 HG23 0.18 -0.00 -0.20 -0.04 0.93 0.87 2or9L1 ILE 144 HD13 -0.86 -0.00 -0.14 -0.04 0.88 -0.16 2or9L1 ASN 145 H -0.00 0.26 0.17 -0.55 8.53 8.42 2or9L1 ASN 145 HA 0.09 0.13 0.87 -0.75 4.76 5.10 2or9L1 ASN 145 HB2 0.05 0.03 -0.14 -0.04 2.88 2.78 2or9L1 ASN 145 HB3 0.01 0.06 0.09 -0.04 2.79 2.90 2or9L1 ASN 145 HD21 0.00 -0.01 -0.19 -0.04 7.03 6.80 2or9L1 ASN 145 HD22 -0.01 -0.03 -0.16 -0.04 7.74 7.50 2or9L1 VAL 146 H 0.02 0.23 0.18 -0.55 8.24 8.12 2or9L1 VAL 146 HA -0.13 0.43 1.10 -0.75 4.13 4.78 2or9L1 VAL 146 HB -0.14 -0.03 -0.21 -0.04 2.12 1.70 2or9L1 VAL 146 HG13 -0.01 -0.02 -0.16 -0.04 0.97 0.74 2or9L1 VAL 146 HG23 -0.39 0.01 -0.16 -0.04 0.95 0.37 2or9L1 LYS 147 H -0.21 0.51 0.33 -0.55 8.42 8.50 2or9L1 LYS 147 HA 0.02 0.15 0.84 -0.75 4.32 4.58 2or9L1 LYS 147 HB2 -0.06 0.06 0.02 -0.04 1.87 1.84 2or9L1 LYS 147 HB3 -0.01 -0.02 -0.09 -0.04 1.79 1.63 2or9L1 LYS 147 HG2 0.03 0.01 0.07 -0.04 1.46 1.53 2or9L1 LYS 147 HG3 -0.00 0.03 -0.23 -0.04 1.46 1.21 2or9L1 LYS 147 HD2 -0.01 0.02 -0.10 -0.04 1.69 1.55 2or9L1 LYS 147 HD3 0.00 -0.04 -0.06 -0.04 1.68 1.54 2or9L1 LYS 147 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.93 2or9L1 LYS 147 HE3 0.01 0.02 -0.07 -0.04 2.99 2.90 2or9L1 TRP 148 H 0.22 0.23 0.22 -0.55 7.97 8.10 2or9L1 TRP 148 HA 0.01 0.34 1.10 -0.75 4.62 5.31 2or9L1 TRP 148 HB2 0.01 0.04 0.15 -0.04 3.23 3.39 2or9L1 TRP 148 HB3 0.03 0.02 -0.06 -0.04 3.23 3.18 2or9L1 TRP 148 HD1 0.00 0.01 -0.19 -0.04 7.22 7.00 2or9L1 TRP 148 HE1 -0.02 -0.06 -0.28 -0.04 10.20 9.79 2or9L1 TRP 148 HE3 0.08 0.06 -0.11 -0.04 7.59 7.58 2or9L1 TRP 148 HZ2 -0.03 0.10 -0.20 -0.04 7.44 7.27 2or9L1 TRP 148 HZ3 0.12 -0.02 -0.29 -0.04 7.13 6.90 2or9L1 TRP 148 HH2 0.05 0.01 -0.39 -0.04 7.19 6.83 2or9L1 LYS 149 H 0.16 0.69 0.28 -0.55 8.42 9.00 2or9L1 LYS 149 HA 0.06 0.49 0.78 -0.75 4.32 4.89 2or9L1 LYS 149 HB2 -0.00 0.00 -0.01 -0.04 1.87 1.82 2or9L1 LYS 149 HB3 -0.02 -0.16 -0.19 -0.04 1.79 1.39 2or9L1 LYS 149 HG2 0.00 -0.03 -0.46 -0.04 1.46 0.94 2or9L1 LYS 149 HG3 0.00 -0.03 -0.50 -0.04 1.46 0.90 2or9L1 LYS 149 HD2 -0.03 0.01 -0.21 -0.04 1.69 1.41 2or9L1 LYS 149 HD3 -0.02 -0.00 -0.24 -0.04 1.68 1.38 2or9L1 LYS 149 HE2 -0.01 -0.01 -0.17 -0.04 2.99 2.76 2or9L1 LYS 149 HE3 -0.03 0.00 -0.19 -0.04 2.99 2.74 2or9L1 ILE 150 H -0.04 0.72 0.25 -0.55 8.25 8.62 2or9L1 ILE 150 HA -0.31 0.21 0.95 -0.75 4.18 4.28 2or9L1 ILE 150 HB -0.28 0.04 0.11 -0.04 1.89 1.73 2or9L1 ILE 150 HG12 0.14 0.01 -0.17 -0.04 1.49 1.42 2or9L1 ILE 150 HG13 0.03 0.03 -0.18 -0.04 1.21 1.05 2or9L1 ILE 150 HG23 -0.61 -0.01 -0.08 -0.04 0.93 0.19 2or9L1 ILE 150 HD13 0.01 0.01 -0.06 -0.04 0.88 0.80 2or9L1 ASP 151 H -0.30 0.82 0.34 -0.55 8.40 8.72 2or9L1 ASP 151 HA -0.13 -0.03 0.41 -0.75 4.63 4.14 2or9L1 ASP 151 HB2 -0.10 0.13 -0.21 -0.04 2.71 2.49 2or9L1 ASP 151 HB3 -0.05 0.06 0.25 -0.04 2.70 2.93 2or9L1 GLY 152 H -0.09 0.02 -0.65 -0.55 8.43 7.17 2or9L1 GLY 152 HA2 -0.04 -0.03 0.14 -0.51 4.01 3.57 2or9L1 GLY 152 HA3 -0.04 0.14 0.55 -0.51 4.01 4.15 2or9L1 SER 153 H -0.06 0.14 -0.07 -0.55 8.46 7.93 2or9L1 SER 153 HA -0.02 0.10 0.83 -0.75 4.49 4.64 2or9L1 SER 153 HB2 -0.07 0.04 0.08 -0.04 3.95 3.96 2or9L1 SER 153 HB3 -0.03 0.04 0.06 -0.04 3.93 3.95 2or9L1 GLU 154 H 0.00 0.09 0.13 -0.55 8.60 8.27 2or9L1 GLU 154 HA 0.05 0.25 0.45 -0.75 4.29 4.29 2or9L1 GLU 154 HB2 0.02 -0.02 0.11 -0.04 2.09 2.16 2or9L1 GLU 154 HB3 0.02 -0.02 0.00 -0.04 1.99 1.96 2or9L1 GLU 154 HG2 0.06 0.01 0.05 -0.04 2.34 2.42 2or9L1 GLU 154 HG3 0.05 -0.04 0.08 -0.04 2.34 2.39 2or9L1 ARG 155 H 0.11 0.27 0.37 -0.55 8.46 8.66 2or9L1 ARG 155 HA 0.03 0.08 0.74 -0.75 4.34 4.43 2or9L1 ARG 155 HB2 0.04 0.11 -0.07 -0.04 1.90 1.93 2or9L1 ARG 155 HB3 0.13 -0.02 0.06 -0.04 1.80 1.93 2or9L1 ARG 155 HG2 -0.01 0.04 -0.02 -0.04 1.67 1.64 2or9L1 ARG 155 HG3 0.01 -0.21 -0.09 -0.04 1.67 1.34 2or9L1 ARG 155 HD2 0.01 -0.16 0.14 -0.04 3.22 3.17 2or9L1 ARG 155 HD3 -0.01 0.08 0.09 -0.04 3.22 3.34 2or9L1 GLN 156 H 0.03 0.17 0.12 -0.55 8.47 8.24 2or9L1 GLN 156 HA 0.08 0.22 0.94 -0.75 4.36 4.85 2or9L1 GLN 156 HB2 0.03 0.00 0.09 -0.04 2.15 2.24 2or9L1 GLN 156 HB3 0.05 0.02 0.23 -0.04 2.02 2.28 2or9L1 GLN 156 HG2 0.07 0.09 -0.02 -0.04 2.40 2.49 2or9L1 GLN 156 HG3 0.05 -0.10 -0.43 -0.04 2.39 1.87 2or9L1 GLN 156 HE21 0.03 0.01 -0.02 -0.04 6.97 6.94 2or9L1 GLN 156 HE22 0.03 -0.03 -0.08 -0.04 7.69 7.57 2or9L1 ASN 157 H 0.01 0.24 -0.00 -0.55 8.53 8.22 2or9L1 ASN 157 HA 0.00 0.15 0.86 -0.75 4.76 5.02 2or9L1 ASN 157 HB2 -0.00 -0.05 0.05 -0.04 2.88 2.84 2or9L1 ASN 157 HB3 -0.01 0.05 0.00 -0.04 2.79 2.79 2or9L1 ASN 157 HD21 0.01 0.02 0.04 -0.04 7.03 7.05 2or9L1 ASN 157 HD22 0.00 -0.01 0.04 -0.04 7.74 7.73 2or9L1 GLY 158 H -0.02 0.20 0.19 -0.55 8.43 8.25 2or9L1 GLY 158 HA2 -0.06 0.04 0.40 -0.51 4.01 3.87 2or9L1 GLY 158 HA3 -0.10 0.30 0.78 -0.51 4.01 4.48 2or9L1 VAL 159 H -0.03 0.02 -0.13 -0.55 8.24 7.55 2or9L1 VAL 159 HA -0.13 0.44 0.87 -0.75 4.13 4.55 2or9L1 VAL 159 HB 0.07 -0.01 -0.03 -0.04 2.12 2.10 2or9L1 VAL 159 HG13 0.25 -0.01 -0.23 -0.04 0.97 0.94 2or9L1 VAL 159 HG23 -0.06 0.00 -0.27 -0.04 0.95 0.57 2or9L1 LEU 160 H -0.00 0.40 0.32 -0.55 8.37 8.54 2or9L1 LEU 160 HA 0.04 0.14 0.92 -0.75 4.35 4.71 2or9L1 LEU 160 HB2 -0.01 -0.04 0.13 -0.04 1.64 1.69 2or9L1 LEU 160 HB3 0.02 0.04 -0.00 -0.04 1.64 1.66 2or9L1 LEU 160 HG -0.02 -0.02 -0.44 -0.04 1.64 1.12 2or9L1 LEU 160 HD13 -0.02 -0.01 -0.08 -0.04 0.93 0.78 2or9L1 LEU 160 HD23 0.02 0.03 -0.01 -0.04 0.89 0.89 2or9L1 ASN 161 H 0.08 0.18 0.17 -0.55 8.53 8.42 2or9L1 ASN 161 HA -0.08 0.46 1.24 -0.75 4.76 5.63 2or9L1 ASN 161 HB2 0.16 -0.01 0.08 -0.04 2.88 3.08 2or9L1 ASN 161 HB3 -0.54 -0.00 -0.01 -0.04 2.79 2.21 2or9L1 ASN 161 HD21 0.13 0.02 -0.09 -0.04 7.03 7.04 2or9L1 ASN 161 HD22 0.18 0.02 -0.02 -0.04 7.74 7.88 2or9L1 SER 162 H -0.24 0.38 0.29 -0.55 8.46 8.34 2or9L1 SER 162 HA 0.26 0.10 0.79 -0.75 4.49 4.89 2or9L1 SER 162 HB2 0.08 0.06 -0.16 -0.04 3.95 3.89 2or9L1 SER 162 HB3 0.04 -0.04 0.06 -0.04 3.93 3.95 2or9L1 TRP 163 H 0.73 0.16 0.16 -0.55 7.97 8.47 2or9L1 TRP 163 HA 0.11 0.25 1.05 -0.75 4.62 5.28 2or9L1 TRP 163 HB2 0.05 -0.06 0.12 -0.04 3.23 3.30 2or9L1 TRP 163 HB3 0.06 0.17 0.07 -0.04 3.23 3.49 2or9L1 TRP 163 HD1 0.12 0.05 -0.03 -0.04 7.22 7.32 2or9L1 TRP 163 HE1 0.15 0.09 -0.02 -0.04 10.20 10.37 2or9L1 TRP 163 HE3 0.06 -0.04 0.00 -0.04 7.59 7.57 2or9L1 TRP 163 HZ2 0.04 0.08 -0.03 -0.04 7.44 7.49 2or9L1 TRP 163 HZ3 0.05 0.05 -0.11 -0.04 7.13 7.08 2or9L1 TRP 163 HH2 0.04 0.00 -0.03 -0.04 7.19 7.17 2or9L1 THR 164 H 0.23 0.50 0.37 -0.55 8.28 8.83 2or9L1 THR 164 HA 0.13 0.09 0.64 -0.75 4.39 4.50 2or9L1 THR 164 HB 0.06 0.05 0.13 -0.04 4.32 4.52 2or9L1 THR 164 HG23 0.04 0.00 -0.05 -0.04 1.22 1.17 2or9L1 ASP 165 H 0.09 0.08 0.12 -0.55 8.40 8.15 2or9L1 ASP 165 HA 0.20 0.09 0.56 -0.75 4.63 4.73 2or9L1 ASP 165 HB2 0.06 -0.03 0.07 -0.04 2.71 2.77 2or9L1 ASP 165 HB3 0.07 0.11 0.04 -0.04 2.70 2.87 2or9L1 GLN 166 H 0.12 0.08 0.08 -0.55 8.47 8.21 2or9L1 GLN 166 HA -0.72 0.05 0.18 -0.75 4.36 3.12 2or9L1 GLN 166 HB2 -0.21 -0.06 0.10 -0.04 2.15 1.93 2or9L1 GLN 166 HB3 -0.08 0.02 0.08 -0.04 2.02 2.00 2or9L1 GLN 166 HG2 -0.21 0.19 -0.14 -0.04 2.40 2.20 2or9L1 GLN 166 HG3 -0.66 0.11 -0.16 -0.04 2.39 1.64 2or9L1 GLN 166 HE21 0.23 0.21 0.12 -0.04 6.97 7.48 2or9L1 GLN 166 HE22 0.12 0.05 0.08 -0.04 7.69 7.90 2or9L1 ASP 167 H -0.24 0.53 0.13 -0.55 8.40 8.27 2or9L1 ASP 167 HA -0.06 0.07 0.48 -0.75 4.63 4.37 2or9L1 ASP 167 HB2 -0.09 0.18 0.16 -0.04 2.71 2.93 2or9L1 ASP 167 HB3 -0.10 -0.22 0.06 -0.04 2.70 2.40 2or9L1 SER 168 H -0.03 0.10 0.19 -0.55 8.46 8.17 2or9L1 SER 168 HA -0.03 0.28 0.66 -0.75 4.49 4.64 2or9L1 SER 168 HB2 -0.00 0.04 0.01 -0.04 3.95 3.95 2or9L1 SER 168 HB3 -0.00 0.14 0.08 -0.04 3.93 4.10 2or9L1 LYS 169 H -0.03 -0.01 0.02 -0.55 8.42 7.84 2or9L1 LYS 169 HA -0.02 0.18 0.62 -0.75 4.32 4.34 2or9L1 LYS 169 HB2 -0.02 0.02 0.08 -0.04 1.87 1.91 2or9L1 LYS 169 HB3 -0.03 -0.07 0.11 -0.04 1.79 1.76 2or9L1 LYS 169 HG2 -0.02 0.04 -0.27 -0.04 1.46 1.16 2or9L1 LYS 169 HG3 -0.02 0.02 0.02 -0.04 1.46 1.44 2or9L1 LYS 169 HD2 -0.02 -0.02 -0.02 -0.04 1.69 1.59 2or9L1 LYS 169 HD3 -0.01 0.02 -0.04 -0.04 1.68 1.60 2or9L1 LYS 169 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 2or9L1 LYS 169 HE3 -0.01 0.00 -0.01 -0.04 2.99 2.94 2or9L1 ASP 170 H -0.04 -0.01 -0.10 -0.55 8.40 7.70 2or9L1 ASP 170 HA -0.04 0.32 0.92 -0.75 4.63 5.07 2or9L1 ASP 170 HB2 -0.03 0.08 0.12 -0.04 2.71 2.84 2or9L1 ASP 170 HB3 -0.03 0.00 -0.08 -0.04 2.70 2.56 2or9L1 SER 171 H -0.07 0.17 -0.46 -0.55 8.46 7.56 2or9L1 SER 171 HA -0.12 0.36 0.28 -0.75 4.49 4.26 2or9L1 SER 171 HB2 -0.10 0.03 -0.38 -0.04 3.95 3.45 2or9L1 SER 171 HB3 -0.09 0.00 0.10 -0.04 3.93 3.90 2or9L1 THR 172 H -0.10 -0.16 -0.75 -0.55 8.28 6.72 2or9L1 THR 172 HA -0.01 0.26 0.73 -0.75 4.39 4.61 2or9L1 THR 172 HB -0.06 -0.02 -0.12 -0.04 4.32 4.07 2or9L1 THR 172 HG23 0.01 0.13 -0.16 -0.04 1.22 1.17 2or9L1 TYR 173 H -0.21 0.82 0.31 -0.55 8.29 8.66 2or9L1 TYR 173 HA -0.15 0.17 0.73 -0.75 4.56 4.56 2or9L1 TYR 173 HB2 -0.79 0.10 -0.03 -0.04 3.06 2.30 2or9L1 TYR 173 HB3 -0.20 0.03 0.04 -0.04 2.98 2.82 2or9L1 TYR 173 HD2 -0.10 0.17 -0.13 -0.04 7.15 7.05 2or9L1 TYR 173 HE2 -0.10 -0.06 0.01 -0.04 6.85 6.67 2or9L1 SER 174 H 0.06 0.25 0.24 -0.55 8.46 8.47 2or9L1 SER 174 HA 0.08 0.27 0.94 -0.75 4.49 5.02 2or9L1 SER 174 HB2 0.01 -0.02 0.05 -0.04 3.95 3.94 2or9L1 SER 174 HB3 0.02 0.07 0.06 -0.04 3.93 4.04 2or9L1 MET 175 H 0.20 0.81 0.37 -0.55 8.47 9.30 2or9L1 MET 175 HA -0.19 0.30 1.03 -0.75 4.52 4.90 2or9L1 MET 175 HB2 -0.39 0.04 -0.16 -0.04 2.15 1.60 2or9L1 MET 175 HB3 -0.15 -0.02 -0.00 -0.04 2.03 1.82 2or9L1 MET 175 HG2 -0.53 0.02 -0.22 -0.04 2.63 1.85 2or9L1 MET 175 HG3 -1.75 -0.03 -0.17 -0.04 2.56 0.56 2or9L1 MET 175 HE3 -0.23 -0.00 -0.28 -0.04 2.10 1.55 2or9L1 SER 176 H -0.18 0.45 0.30 -0.55 8.46 8.48 2or9L1 SER 176 HA 0.18 0.21 1.09 -0.75 4.49 5.21 2or9L1 SER 176 HB2 0.37 -0.01 -0.03 -0.04 3.95 4.24 2or9L1 SER 176 HB3 0.09 0.07 0.13 -0.04 3.93 4.17 2or9L1 SER 177 H 0.03 0.79 0.37 -0.55 8.46 9.10 2or9L1 SER 177 HA 0.04 0.37 1.16 -0.75 4.49 5.31 2or9L1 SER 177 HB2 0.00 -0.04 -0.10 -0.04 3.95 3.77 2or9L1 SER 177 HB3 0.17 0.00 0.07 -0.04 3.93 4.14 2or9L1 THR 178 H 0.06 0.42 0.30 -0.55 8.28 8.51 2or9L1 THR 178 HA -0.01 0.32 1.19 -0.75 4.39 5.14 2or9L1 THR 178 HB -0.04 -0.01 0.10 -0.04 4.32 4.33 2or9L1 THR 178 HG23 -0.12 -0.00 -0.34 -0.04 1.22 0.72 2or9L1 LEU 179 H -0.49 0.79 0.30 -0.55 8.37 8.42 2or9L1 LEU 179 HA -0.47 0.34 0.84 -0.75 4.35 4.31 2or9L1 LEU 179 HB2 -2.37 -0.02 0.02 -0.04 1.64 -0.77 2or9L1 LEU 179 HB3 -0.91 -0.09 0.10 -0.04 1.64 0.70 2or9L1 LEU 179 HG -0.81 -0.05 -0.18 -0.04 1.64 0.56 2or9L1 LEU 179 HD13 -0.44 -0.02 -0.13 -0.04 0.93 0.30 2or9L1 LEU 179 HD23 -0.26 0.02 -0.15 -0.04 0.89 0.45 2or9L1 THR 180 H -0.20 0.84 0.40 -0.55 8.28 8.78 2or9L1 THR 180 HA -0.18 0.15 1.12 -0.75 4.39 4.72 2or9L1 THR 180 HB -0.09 -0.01 0.00 -0.04 4.32 4.18 2or9L1 THR 180 HG23 -0.11 -0.00 -0.17 -0.04 1.22 0.91 2or9L1 LEU 181 H -0.14 1.06 0.45 -0.55 8.37 9.19 2or9L1 LEU 181 HA -0.04 0.11 0.83 -0.75 4.35 4.50 2or9L1 LEU 181 HB2 -0.04 0.05 -0.07 -0.04 1.64 1.53 2or9L1 LEU 181 HB3 0.05 -0.09 0.00 -0.04 1.64 1.56 2or9L1 LEU 181 HG -0.11 -0.03 -0.48 -0.04 1.64 0.98 2or9L1 LEU 181 HD13 0.15 0.00 -0.17 -0.04 0.93 0.87 2or9L1 LEU 181 HD23 -0.01 0.04 0.02 -0.04 0.89 0.90 2or9L1 THR 182 H 0.02 0.09 0.15 -0.55 8.28 7.99 2or9L1 THR 182 HA -0.00 0.23 0.58 -0.75 4.39 4.45 2or9L1 THR 182 HB 0.02 0.09 0.18 -0.04 4.32 4.57 2or9L1 THR 182 HG23 0.01 0.04 0.10 -0.04 1.22 1.33 2or9L1 LYS 183 H 0.02 0.35 0.11 -0.55 8.42 8.35 2or9L1 LYS 183 HA 0.09 0.15 0.22 -0.75 4.32 4.03 2or9L1 LYS 183 HB2 0.02 0.05 -0.06 -0.04 1.87 1.84 2or9L1 LYS 183 HB3 0.04 -0.05 0.10 -0.04 1.79 1.83 2or9L1 LYS 183 HG2 0.07 -0.03 -0.19 -0.04 1.46 1.27 2or9L1 LYS 183 HG3 0.09 0.04 0.01 -0.04 1.46 1.56 2or9L1 LYS 183 HD2 0.02 0.17 0.16 -0.04 1.69 2.00 2or9L1 LYS 183 HD3 0.03 -0.05 0.02 -0.04 1.68 1.64 2or9L1 LYS 183 HE2 0.05 -0.02 -0.05 -0.04 2.99 2.92 2or9L1 LYS 183 HE3 0.05 -0.00 -0.07 -0.04 2.99 2.93 2or9L1 ASP 184 H 0.05 0.09 -0.11 -0.55 8.40 7.88 2or9L1 ASP 184 HA 0.04 0.17 0.50 -0.75 4.63 4.59 2or9L1 ASP 184 HB2 0.03 -0.02 0.03 -0.04 2.71 2.70 2or9L1 ASP 184 HB3 0.01 0.07 0.02 -0.04 2.70 2.76 2or9L1 GLU 185 H 0.07 0.01 -0.26 -0.55 8.60 7.88 2or9L1 GLU 185 HA 0.08 0.08 0.40 -0.75 4.29 4.09 2or9L1 GLU 185 HB2 0.07 -0.06 0.12 -0.04 2.09 2.17 2or9L1 GLU 185 HB3 0.10 0.05 0.06 -0.04 1.99 2.16 2or9L1 GLU 185 HG2 0.17 0.05 -0.03 -0.04 2.34 2.49 2or9L1 GLU 185 HG3 0.12 0.02 0.07 -0.04 2.34 2.51 2or9L1 TYR 186 H 0.21 0.29 -0.56 -0.55 8.29 7.68 2or9L1 TYR 186 HA 0.23 0.03 0.44 -0.75 4.56 4.50 2or9L1 TYR 186 HB2 -0.03 -0.04 -0.11 -0.04 3.06 2.84 2or9L1 TYR 186 HB3 0.01 0.12 0.04 -0.04 2.98 3.11 2or9L1 TYR 186 HD2 -0.26 -0.00 -0.10 -0.04 7.15 6.76 2or9L1 TYR 186 HE2 -0.16 -0.02 -0.08 -0.04 6.85 6.56 2or9L1 GLU 187 H 0.08 0.29 -0.10 -0.55 8.60 8.34 2or9L1 GLU 187 HA -0.21 0.09 0.48 -0.75 4.29 3.90 2or9L1 GLU 187 HB2 0.01 -0.04 0.13 -0.04 2.09 2.15 2or9L1 GLU 187 HB3 -0.03 -0.03 0.05 -0.04 1.99 1.94 2or9L1 GLU 187 HG2 0.01 0.00 0.01 -0.04 2.34 2.32 2or9L1 GLU 187 HG3 0.13 0.09 0.06 -0.04 2.34 2.58 2or9L1 ARG 188 H -0.01 0.27 -0.40 -0.55 8.46 7.77 2or9L1 ARG 188 HA -0.12 -0.04 0.37 -0.75 4.34 3.80 2or9L1 ARG 188 HB2 -0.08 0.10 0.14 -0.04 1.90 2.02 2or9L1 ARG 188 HB3 -0.19 0.00 0.15 -0.04 1.80 1.72 2or9L1 ARG 188 HG2 -0.57 -0.01 -0.14 -0.04 1.67 0.91 2or9L1 ARG 188 HG3 -0.19 -0.03 -0.00 -0.04 1.67 1.41 2or9L1 ARG 188 HD2 -0.22 -0.00 0.01 -0.04 3.22 2.97 2or9L1 ARG 188 HD3 -0.13 -0.04 -0.02 -0.04 3.22 3.00 2or9L1 HIS 189 H -0.07 0.17 -0.10 -0.55 8.41 7.87 2or9L1 HIS 189 HA -0.09 0.03 0.42 -0.75 4.63 4.23 2or9L1 HIS 189 HB2 -0.14 0.09 -0.02 -0.04 3.26 3.16 2or9L1 HIS 189 HB3 -0.24 -0.19 0.06 -0.04 3.20 2.79 2or9L1 HIS 189 HD2 0.04 0.21 0.08 -0.04 6.97 7.26 2or9L1 HIS 189 HE1 -0.03 -0.00 -0.03 -0.04 7.75 7.65 2or9L1 ASN 190 H -0.12 -0.08 0.16 -0.55 8.53 7.95 2or9L1 ASN 190 HA -0.06 0.36 1.09 -0.75 4.76 5.39 2or9L1 ASN 190 HB2 -0.06 0.17 -0.18 -0.04 2.88 2.77 2or9L1 ASN 190 HB3 -0.07 -0.05 0.07 -0.04 2.79 2.70 2or9L1 ASN 190 HD21 -0.00 -0.10 -0.03 -0.04 7.03 6.86 2or9L1 ASN 190 HD22 -0.04 0.03 -0.14 -0.04 7.74 7.55 2or9L1 SER 191 H -0.23 0.02 0.23 -0.55 8.46 7.93 2or9L1 SER 191 HA -0.18 0.35 1.22 -0.75 4.49 5.12 2or9L1 SER 191 HB2 -0.09 0.02 0.02 -0.04 3.95 3.86 2or9L1 SER 191 HB3 -0.13 -0.11 0.21 -0.04 3.93 3.85 2or9L1 TYR 192 H -0.34 0.60 0.33 -0.55 8.29 8.32 2or9L1 TYR 192 HA -0.05 0.22 1.09 -0.75 4.56 5.07 2or9L1 TYR 192 HB2 -0.91 0.02 0.12 -0.04 3.06 2.24 2or9L1 TYR 192 HB3 0.05 0.03 -0.06 -0.04 2.98 2.96 2or9L1 TYR 192 HD2 -0.13 0.04 -0.11 -0.04 7.15 6.91 2or9L1 TYR 192 HE2 -0.09 0.11 -0.15 -0.04 6.85 6.68 2or9L1 THR 193 H 0.12 0.81 0.42 -0.55 8.28 9.09 2or9L1 THR 193 HA 0.02 0.25 1.31 -0.75 4.39 5.22 2or9L1 THR 193 HB -0.05 0.08 -0.09 -0.04 4.32 4.22 2or9L1 THR 193 HG23 -0.04 0.00 -0.29 -0.04 1.22 0.85 2or9L1 CYS 194 H -0.15 0.94 0.42 -0.55 8.50 9.17 2or9L1 CYS 194 HA -1.07 0.13 0.85 -0.75 4.58 3.73 2or9L1 CYS 194 HB2 -0.72 -0.01 -0.03 -0.04 2.97 2.16 2or9L1 CYS 194 HB3 -0.27 0.01 0.15 -0.04 2.97 2.81 2or9L1 GLU 195 H -0.44 0.67 0.31 -0.55 8.60 8.60 2or9L1 GLU 195 HA -0.16 0.28 1.14 -0.75 4.29 4.80 2or9L1 GLU 195 HB2 -0.11 -0.04 -0.23 -0.04 2.09 1.67 2or9L1 GLU 195 HB3 -0.14 -0.02 0.07 -0.04 1.99 1.86 2or9L1 GLU 195 HG2 -0.08 -0.03 -0.34 -0.04 2.34 1.85 2or9L1 GLU 195 HG3 -0.07 0.07 -0.25 -0.04 2.34 2.04 2or9L1 ALA 196 H -0.12 0.80 0.31 -0.55 8.40 8.84 2or9L1 ALA 196 HA -0.12 0.37 1.12 -0.75 4.34 4.96 2or9L1 ALA 196 HB3 -0.13 -0.02 0.03 -0.04 1.41 1.24 2or9L1 THR 197 H -0.05 0.57 0.27 -0.55 8.28 8.52 2or9L1 THR 197 HA -0.01 0.15 0.87 -0.75 4.39 4.65 2or9L1 THR 197 HB -0.01 0.05 -0.06 -0.04 4.32 4.26 2or9L1 THR 197 HG23 -0.03 0.00 -0.25 -0.04 1.22 0.91 2or9L1 HIS 198 H 0.06 0.25 0.04 -0.55 8.41 8.21 2or9L1 HIS 198 HA -0.05 0.21 1.02 -0.75 4.63 5.05 2or9L1 HIS 198 HB2 -0.16 -0.01 -0.06 -0.04 3.26 2.99 2or9L1 HIS 198 HB3 -0.05 0.01 0.04 -0.04 3.20 3.16 2or9L1 HIS 198 HD2 -0.07 0.22 0.07 -0.04 6.97 7.15 2or9L1 HIS 198 HE1 0.19 0.30 -0.09 -0.04 7.75 8.10 2or9L1 LYS 199 H -0.63 0.26 0.14 -0.55 8.42 7.63 2or9L1 LYS 199 HA -0.14 0.07 0.33 -0.75 4.32 3.83 2or9L1 LYS 199 HB2 -0.15 -0.00 0.12 -0.04 1.87 1.79 2or9L1 LYS 199 HB3 -0.45 0.05 0.17 -0.04 1.79 1.52 2or9L1 LYS 199 HG2 -0.08 -0.02 0.04 -0.04 1.46 1.35 2or9L1 LYS 199 HG3 -0.15 0.04 -0.08 -0.04 1.46 1.23 2or9L1 LYS 199 HD2 -0.04 0.01 -0.20 -0.04 1.69 1.42 2or9L1 LYS 199 HD3 -0.05 -0.01 0.05 -0.04 1.68 1.63 2or9L1 LYS 199 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 2or9L1 LYS 199 HE3 0.03 0.01 -0.00 -0.04 2.99 2.99 2or9L1 THR 200 H -0.12 0.02 -0.68 -0.55 8.28 6.95 2or9L1 THR 200 HA 0.04 0.07 0.40 -0.75 4.39 4.15 2or9L1 THR 200 HB 0.14 -0.02 0.10 -0.04 4.32 4.49 2or9L1 THR 200 HG23 0.28 -0.03 -0.27 -0.04 1.22 1.16 2or9L1 SER 201 H -0.01 0.40 -0.61 -0.55 8.46 7.69 2or9L1 SER 201 HA 0.01 -0.05 0.32 -0.75 4.49 4.02 2or9L1 SER 201 HB2 0.03 0.27 0.27 -0.04 3.95 4.48 2or9L1 SER 201 HB3 0.03 0.01 -0.17 -0.04 3.93 3.76 2or9L1 THR 202 H 0.00 0.08 0.14 -0.55 8.28 7.96 2or9L1 THR 202 HA -0.01 0.16 0.62 -0.75 4.39 4.41 2or9L1 THR 202 HB -0.01 0.01 0.03 -0.04 4.32 4.31 2or9L1 THR 202 HG23 -0.01 0.00 -0.03 -0.04 1.22 1.14 2or9L1 SER 203 H 0.00 -0.04 0.00 -0.55 8.46 7.88 2or9L1 SER 203 HA -0.01 0.14 0.60 -0.75 4.49 4.47 2or9L1 SER 203 HB2 -0.00 -0.02 0.11 -0.04 3.95 4.00 2or9L1 SER 203 HB3 -0.01 0.08 0.02 -0.04 3.93 3.99 2or9L1 PRO 204 HA -0.02 0.13 0.51 -0.51 4.44 4.54 2or9L1 PRO 204 HB2 -0.03 -0.08 -0.11 -0.04 2.28 2.02 2or9L1 PRO 204 HB3 -0.04 0.06 -0.18 -0.04 2.02 1.81 2or9L1 PRO 204 HG2 -0.02 -0.03 -0.01 -0.04 2.03 1.92 2or9L1 PRO 204 HG3 -0.02 0.06 -0.03 -0.04 2.03 2.00 2or9L1 PRO 204 HD2 -0.02 0.02 0.17 -0.04 3.68 3.81 2or9L1 PRO 204 HD3 -0.01 0.35 0.37 -0.04 3.65 4.32 2or9L1 ILE 205 H -0.04 0.54 0.32 -0.55 8.25 8.53 2or9L1 ILE 205 HA -0.02 0.11 0.76 -0.75 4.18 4.26 2or9L1 ILE 205 HB -0.05 -0.07 0.19 -0.04 1.89 1.92 2or9L1 ILE 205 HG12 -0.01 0.02 0.02 -0.04 1.49 1.48 2or9L1 ILE 205 HG13 -0.01 0.03 0.01 -0.04 1.21 1.21 2or9L1 ILE 205 HG23 -0.03 -0.00 -0.11 -0.04 0.93 0.75 2or9L1 ILE 205 HD13 -0.00 -0.01 0.03 -0.04 0.88 0.86 2or9L1 VAL 206 H -0.03 0.22 0.17 -0.55 8.24 8.05 2or9L1 VAL 206 HA -0.09 0.34 1.25 -0.75 4.13 4.87 2or9L1 VAL 206 HB -0.06 -0.00 -0.07 -0.04 2.12 1.95 2or9L1 VAL 206 HG13 -0.05 0.03 -0.30 -0.04 0.97 0.61 2or9L1 VAL 206 HG23 -0.03 -0.01 -0.13 -0.04 0.95 0.73 2or9L1 LYS 207 H -0.09 0.70 0.38 -0.55 8.42 8.85 2or9L1 LYS 207 HA -0.01 0.14 0.81 -0.75 4.32 4.51 2or9L1 LYS 207 HB2 -0.05 -0.01 -0.16 -0.04 1.87 1.61 2or9L1 LYS 207 HB3 -0.02 -0.04 -0.12 -0.04 1.79 1.57 2or9L1 LYS 207 HG2 -0.02 -0.04 -0.08 -0.04 1.46 1.27 2or9L1 LYS 207 HG3 -0.01 -0.01 0.12 -0.04 1.46 1.53 2or9L1 LYS 207 HD2 -0.01 0.12 0.05 -0.04 1.69 1.81 2or9L1 LYS 207 HD3 -0.02 -0.05 -0.16 -0.04 1.68 1.41 2or9L1 LYS 207 HE2 -0.01 0.11 0.10 -0.04 2.99 3.15 2or9L1 LYS 207 HE3 -0.01 -0.05 0.07 -0.04 2.99 2.96 2or9L1 SER 208 H 0.04 0.28 0.22 -0.55 8.46 8.45 2or9L1 SER 208 HA 0.11 0.17 0.69 -0.75 4.49 4.71 2or9L1 SER 208 HB2 -0.04 0.04 -0.00 -0.04 3.95 3.91 2or9L1 SER 208 HB3 -0.01 -0.05 -0.11 -0.04 3.93 3.72 2or9L1 PHE 209 H -0.15 0.52 0.31 -0.55 8.34 8.46 2or9L1 PHE 209 HA 0.04 0.06 0.53 -0.75 4.62 4.50 2or9L1 PHE 209 HB2 0.06 0.02 0.08 -0.04 3.15 3.27 2or9L1 PHE 209 HB3 0.04 0.13 -0.20 -0.04 3.06 2.99 2or9L1 PHE 209 HD2 0.12 0.04 -0.45 -0.04 7.28 6.95 2or9L1 PHE 209 HE2 0.23 0.03 -0.20 -0.04 7.38 7.40 2or9L1 PHE 209 HZ 0.02 0.00 -0.09 -0.04 7.32 7.22 2or9L1 ASN 210 H 0.22 0.20 0.17 -0.55 8.53 8.57 2or9L1 ASN 210 HA 0.00 0.27 1.06 -0.75 4.76 5.34 2or9L1 ASN 210 HB2 0.08 0.00 0.14 -0.04 2.88 3.06 2or9L1 ASN 210 HB3 0.03 -0.01 0.05 -0.04 2.79 2.82 2or9L1 ASN 210 HD21 0.02 0.03 -0.05 -0.04 7.03 6.99 2or9L1 ASN 210 HD22 0.04 0.02 0.02 -0.04 7.74 7.78 2or9L1 ARG 211 H 0.09 0.82 0.37 -0.55 8.46 9.18 2or9L1 ARG 211 HA 0.33 0.02 0.35 -0.75 4.34 4.28 2or9L1 ARG 211 HB2 0.03 0.06 0.19 -0.04 1.90 2.14 2or9L1 ARG 211 HB3 -0.02 -0.01 0.14 -0.04 1.80 1.87 2or9L1 ARG 211 HG2 -0.03 -0.01 0.01 -0.04 1.67 1.60 2or9L1 ARG 211 HG3 -0.08 -0.07 0.06 -0.04 1.67 1.54 2or9L1 ARG 211 HD2 -0.39 -0.13 -0.07 -0.04 3.22 2.59 2or9L1 ARG 211 HD3 -1.05 0.12 -0.10 -0.04 3.22 2.15 2or9L1 ASN 212 H 0.07 -0.08 -0.64 -0.55 8.53 7.34 2or9L1 ASN 212 HA 0.03 0.05 0.07 -0.75 4.76 4.17 2or9L1 ASN 212 HB2 0.05 0.02 -0.02 -0.04 2.88 2.89 2or9L1 ASN 212 HB3 0.03 0.01 0.04 -0.04 2.79 2.83 2or9L1 ASN 212 HD21 0.01 -0.00 -0.01 -0.04 7.03 6.98 2or9L1 ASN 212 HD22 0.01 0.01 0.01 -0.04 7.74 7.73