============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 30 0.840 99.001 54.201 11.072 -99.200 -91.000 TYR 56 0.840 101.830 64.805 27.623 -99.200 -91.000 TRP 64 1.040 101.641 56.443 16.016 -99.200 -91.000 TRP6 64 1.020 99.781 57.894 15.865 -99.200 -91.000 TYR 68 0.840 95.789 47.484 6.590 -99.200 -91.000 TYR 77 0.840 92.539 42.563 5.832 -99.200 -91.000 TRP 82 1.040 86.230 48.444 -2.556 -99.200 -91.000 TRP6 82 1.020 87.847 49.827 -3.583 -99.200 -91.000 TYR 94 0.840 92.547 48.649 20.072 -99.200 -91.000 TYR 124 0.840 76.002 62.149 18.416 -99.200 -91.000 TYR 132 0.840 94.757 84.271 8.201 -99.200 -91.000 TYR 133 0.840 96.459 77.546 12.118 -99.200 -91.000 HIS 142 0.900 90.434 93.238 6.845 -99.200 -91.000 PHE 151 1.000 80.059 71.028 18.028 -99.200 -91.000 TYR 159 0.840 76.487 64.474 2.862 -99.200 -91.000 TRP 164 1.040 64.294 53.840 -3.924 -99.200 -91.000 TRP6 164 1.020 63.429 55.350 -2.325 -99.200 -91.000 PHE 177 1.000 53.052 55.695 0.085 -99.200 -91.000 PHE 189 1.000 58.657 68.261 -16.558 -99.200 -91.000 HIS 192 0.900 61.201 58.960 -18.843 -99.200 -91.000 TYR 215 0.840 83.940 73.133 20.872 -99.200 -91.000 HIS 228 0.900 66.709 77.891 9.957 -99.200 -91.000 PHE 235 1.000 55.834 70.392 7.729 -99.200 -91.000 PHE 240 1.000 69.750 71.344 13.068 -99.200 -91.000 TRP 243 1.040 62.311 69.009 17.313 -99.200 -91.000 TRP6 243 1.020 62.339 67.755 15.306 -99.200 -91.000 TYR 245 0.840 66.214 79.606 18.319 -99.200 -91.000 PHE 252 1.000 72.706 72.632 27.357 -99.200 -91.000 TRP 262 1.040 68.876 86.161 17.457 -99.200 -91.000 TRP6 262 1.020 70.565 87.790 17.162 -99.200 -91.000 PHE 284 1.000 76.668 80.790 8.808 -99.200 -91.000 TYR 295 0.840 77.090 84.869 11.857 -99.200 -91.000 TYR 307 0.840 76.373 72.294 -0.272 -99.200 -91.000 PHE 334 1.000 89.639 63.032 16.782 -99.200 -91.000 HIS 338 0.900 93.941 66.460 2.317 -99.200 -91.000 TYR 344 0.840 99.782 67.651 -7.197 -99.200 -91.000 HIS 365 0.900 87.527 62.759 21.680 -99.200 -91.000 TRP 368 1.040 97.367 62.161 26.243 -99.200 -91.000 TRP6 368 1.020 98.966 60.765 25.198 -99.200 -91.000 TYR 390 0.840 101.423 71.968 -4.417 -99.200 -91.000 PHE 392 1.000 99.360 77.319 3.468 -99.200 -91.000 PHE 407 1.000 103.756 73.054 6.922 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cw1A1 GLU 2 HA 0.00 -0.12 0.20 -0.75 4.29 3.62 1cw1A1 SER 3 H 0.02 0.03 0.10 -0.55 8.46 8.07 1cw1A1 SER 3 HA 0.09 0.01 0.46 -0.75 4.49 4.30 1cw1A1 SER 3 HB2 0.03 -0.02 0.13 -0.04 3.95 4.05 1cw1A1 SER 3 HB3 0.06 0.08 0.12 -0.04 3.93 4.15 1cw1A1 LYS 4 H 0.44 0.03 0.16 -0.55 8.42 8.50 1cw1A1 LYS 4 HA 0.08 0.24 0.78 -0.75 4.32 4.67 1cw1A1 LYS 4 HB2 -0.18 -0.08 0.03 -0.04 1.87 1.60 1cw1A1 LYS 4 HB3 -0.07 -0.03 0.13 -0.04 1.79 1.78 1cw1A1 LYS 4 HG2 0.01 0.03 -0.02 -0.04 1.46 1.44 1cw1A1 LYS 4 HG3 0.14 0.12 -0.14 -0.04 1.46 1.54 1cw1A1 LYS 4 HD2 -0.40 0.05 0.01 -0.04 1.69 1.30 1cw1A1 LYS 4 HD3 -0.19 -0.08 0.03 -0.04 1.68 1.40 1cw1A1 LYS 4 HE2 -0.04 -0.06 0.01 -0.04 2.99 2.86 1cw1A1 LYS 4 HE3 -0.01 0.05 0.03 -0.04 2.99 3.02 1cw1A1 VAL 5 H 0.20 -0.07 -0.02 -0.55 8.24 7.80 1cw1A1 VAL 5 HA 0.13 0.18 0.61 -0.75 4.13 4.30 1cw1A1 VAL 5 HB 0.11 -0.07 0.06 -0.04 2.12 2.18 1cw1A1 VAL 5 HG13 0.01 0.04 -0.25 -0.04 0.97 0.74 1cw1A1 VAL 5 HG23 0.18 0.00 0.04 -0.04 0.95 1.14 1cw1A1 VAL 6 H 0.04 0.20 0.11 -0.55 8.24 8.04 1cw1A1 VAL 6 HA 0.04 0.16 0.89 -0.75 4.13 4.48 1cw1A1 VAL 6 HB 0.04 -0.03 0.10 -0.04 2.12 2.19 1cw1A1 VAL 6 HG13 0.03 0.02 -0.16 -0.04 0.97 0.82 1cw1A1 VAL 6 HG23 0.04 0.03 -0.13 -0.04 0.95 0.85 1cw1A1 VAL 7 H 0.04 0.14 -0.00 -0.55 8.24 7.86 1cw1A1 VAL 7 HA -0.02 0.10 0.43 -0.75 4.13 3.89 1cw1A1 VAL 7 HB 0.05 -0.04 0.05 -0.04 2.12 2.13 1cw1A1 VAL 7 HG13 0.07 0.05 -0.16 -0.04 0.97 0.90 1cw1A1 VAL 7 HG23 0.08 -0.01 -0.06 -0.04 0.95 0.92 1cw1A1 PRO 8 HA 0.03 -0.07 0.39 -0.51 4.44 4.28 1cw1A1 PRO 8 HB2 0.00 0.08 -0.11 -0.04 2.28 2.21 1cw1A1 PRO 8 HB3 0.02 0.01 0.02 -0.04 2.02 2.03 1cw1A1 PRO 8 HG2 -0.02 0.10 -0.21 -0.04 2.03 1.86 1cw1A1 PRO 8 HG3 0.03 0.11 -0.05 -0.04 2.03 2.08 1cw1A1 PRO 8 HD2 -0.06 0.06 0.07 -0.04 3.68 3.71 1cw1A1 PRO 8 HD3 -0.05 0.16 0.23 -0.04 3.65 3.95 1cw1A1 ALA 9 H 0.03 0.06 0.14 -0.55 8.40 8.08 1cw1A1 ALA 9 HA 0.03 0.08 0.36 -0.75 4.34 4.05 1cw1A1 ALA 9 HB3 0.02 -0.02 0.08 -0.04 1.41 1.45 1cw1A1 GLN 10 H 0.02 0.04 -0.11 -0.55 8.47 7.87 1cw1A1 GLN 10 HA 0.02 0.11 0.75 -0.75 4.36 4.48 1cw1A1 GLY 11 H 0.02 0.19 0.06 -0.55 8.43 8.15 1cw1A1 GLY 11 HA2 0.01 0.16 0.30 -0.51 4.01 3.97 1cw1A1 GLY 11 HA3 0.00 0.09 0.51 -0.51 4.01 4.11 1cw1A1 LYS 12 H 0.02 0.75 0.30 -0.55 8.42 8.94 1cw1A1 LYS 12 HA 0.05 0.13 0.97 -0.75 4.32 4.72 1cw1A1 LYS 12 HB2 0.02 -0.03 -0.12 -0.04 1.87 1.70 1cw1A1 LYS 12 HB3 0.03 -0.06 -0.03 -0.04 1.79 1.68 1cw1A1 LYS 12 HG2 0.02 0.31 -0.13 -0.04 1.46 1.62 1cw1A1 LYS 12 HG3 0.02 -0.06 0.09 -0.04 1.46 1.48 1cw1A1 LYS 12 HD2 0.02 -0.05 -0.01 -0.04 1.69 1.60 1cw1A1 LYS 12 HD3 0.02 -0.06 -0.04 -0.04 1.68 1.56 1cw1A1 LYS 12 HE2 0.01 0.12 -0.00 -0.04 2.99 3.07 1cw1A1 LYS 12 HE3 0.01 -0.03 0.01 -0.04 2.99 2.94 1cw1A1 LYS 13 H 0.06 0.09 0.17 -0.55 8.42 8.19 1cw1A1 LYS 13 HA 0.20 0.05 0.61 -0.75 4.32 4.42 1cw1A1 LYS 13 HB2 -0.01 -0.07 0.14 -0.04 1.87 1.89 1cw1A1 LYS 13 HB3 -0.04 -0.07 0.13 -0.04 1.79 1.77 1cw1A1 LYS 13 HG2 -0.11 0.43 0.05 -0.04 1.46 1.79 1cw1A1 LYS 13 HG3 -0.56 -0.07 0.06 -0.04 1.46 0.84 1cw1A1 LYS 13 HD2 -0.13 -0.07 -0.00 -0.04 1.69 1.45 1cw1A1 LYS 13 HD3 -0.27 0.19 0.07 -0.04 1.68 1.63 1cw1A1 LYS 13 HE2 -0.12 -0.06 0.03 -0.04 2.99 2.80 1cw1A1 LYS 13 HE3 -0.16 -0.07 0.02 -0.04 2.99 2.74 1cw1A1 ILE 14 H 0.07 0.18 0.35 -0.55 8.25 8.30 1cw1A1 ILE 14 HA -0.00 0.14 0.73 -0.75 4.18 4.29 1cw1A1 ILE 14 HB 0.02 0.16 0.18 -0.04 1.89 2.21 1cw1A1 ILE 14 HG12 -0.07 -0.04 0.16 -0.04 1.49 1.49 1cw1A1 ILE 14 HG13 -0.03 -0.05 0.21 -0.04 1.21 1.30 1cw1A1 ILE 14 HG23 -0.02 -0.00 -0.17 -0.04 0.93 0.70 1cw1A1 ILE 14 HD13 -0.12 0.01 0.06 -0.04 0.88 0.79 1cw1A1 THR 15 H -0.01 0.53 0.36 -0.55 8.28 8.61 1cw1A1 THR 15 HA -0.02 0.25 0.97 -0.75 4.39 4.83 1cw1A1 THR 15 HB -0.01 -0.06 0.10 -0.04 4.32 4.31 1cw1A1 THR 15 HG23 -0.02 0.03 -0.13 -0.04 1.22 1.06 1cw1A1 LEU 16 H -0.01 0.22 0.20 -0.55 8.37 8.23 1cw1A1 LEU 16 HA 0.00 0.28 0.97 -0.75 4.35 4.85 1cw1A1 LEU 16 HB2 0.01 0.12 -0.13 -0.04 1.64 1.61 1cw1A1 LEU 16 HB3 0.00 -0.03 0.12 -0.04 1.64 1.69 1cw1A1 LEU 16 HG 0.01 -0.21 -0.26 -0.04 1.64 1.14 1cw1A1 LEU 16 HD13 0.02 0.05 -0.32 -0.04 0.93 0.63 1cw1A1 LEU 16 HD23 0.03 0.04 0.03 -0.04 0.89 0.94 1cw1A1 GLN 17 H 0.00 0.83 0.22 -0.55 8.47 8.98 1cw1A1 GLN 17 HA 0.00 0.07 0.82 -0.75 4.36 4.50 1cw1A1 ASN 18 H 0.00 0.16 0.13 -0.55 8.53 8.27 1cw1A1 ASN 18 HA 0.01 0.01 0.34 -0.75 4.76 4.36 1cw1A1 GLY 19 H 0.01 0.03 -0.24 -0.55 8.43 7.69 1cw1A1 GLY 19 HA2 0.03 0.05 0.24 -0.51 4.01 3.82 1cw1A1 GLY 19 HA3 0.03 0.06 0.43 -0.51 4.01 4.01 1cw1A1 LYS 20 H 0.01 0.27 -0.39 -0.55 8.42 7.75 1cw1A1 LYS 20 HA -0.01 0.16 0.88 -0.75 4.32 4.59 1cw1A1 LEU 21 H -0.04 0.18 0.11 -0.55 8.37 8.08 1cw1A1 LEU 21 HA -0.01 0.19 0.75 -0.75 4.35 4.52 1cw1A1 LEU 21 HB2 -0.07 0.02 0.12 -0.04 1.64 1.67 1cw1A1 LEU 21 HB3 -0.04 0.02 -0.07 -0.04 1.64 1.52 1cw1A1 LEU 21 HG -0.07 -0.06 -0.05 -0.04 1.64 1.42 1cw1A1 LEU 21 HD13 -0.12 0.04 -0.08 -0.04 0.93 0.73 1cw1A1 LEU 21 HD23 0.03 0.00 -0.15 -0.04 0.89 0.74 1cw1A1 ASN 22 H -0.01 0.85 0.28 -0.55 8.53 9.10 1cw1A1 ASN 22 HA 0.01 0.13 0.78 -0.75 4.76 4.92 1cw1A1 ASN 22 HB2 0.00 -0.00 -0.04 -0.04 2.88 2.80 1cw1A1 ASN 22 HB3 -0.00 -0.10 0.18 -0.04 2.79 2.83 1cw1A1 ASN 22 HD21 0.00 -0.03 -0.05 -0.04 7.03 6.92 1cw1A1 ASN 22 HD22 0.00 -0.03 -0.04 -0.04 7.74 7.63 1cw1A1 VAL 23 H 0.03 0.26 0.02 -0.55 8.24 8.00 1cw1A1 VAL 23 HA -0.01 0.15 0.92 -0.75 4.13 4.44 1cw1A1 VAL 23 HB 0.10 0.02 0.14 -0.04 2.12 2.34 1cw1A1 VAL 23 HG13 -0.20 0.05 -0.05 -0.04 0.97 0.73 1cw1A1 VAL 23 HG23 -0.10 0.01 -0.05 -0.04 0.95 0.76 1cw1A1 PRO 24 HA 0.06 0.09 0.53 -0.51 4.44 4.60 1cw1A1 PRO 24 HB2 0.04 -0.16 -0.04 -0.04 2.28 2.08 1cw1A1 PRO 24 HB3 0.03 0.06 0.01 -0.04 2.02 2.07 1cw1A1 PRO 24 HG2 0.03 -0.04 -0.25 -0.04 2.03 1.73 1cw1A1 PRO 24 HG3 0.02 0.13 -0.27 -0.04 2.03 1.88 1cw1A1 PRO 24 HD2 -0.01 0.07 0.22 -0.04 3.68 3.93 1cw1A1 PRO 24 HD3 0.01 0.29 0.14 -0.04 3.65 4.05 1cw1A1 GLU 25 H 0.04 0.11 0.13 -0.55 8.60 8.34 1cw1A1 GLU 25 HA 0.06 0.10 0.42 -0.75 4.29 4.12 1cw1A1 GLU 25 HB2 -0.01 -0.03 0.10 -0.04 2.09 2.11 1cw1A1 GLU 25 HB3 -0.08 0.17 0.16 -0.04 1.99 2.19 1cw1A1 GLU 25 HG2 -0.15 0.01 0.00 -0.04 2.34 2.16 1cw1A1 GLU 25 HG3 -0.04 -0.06 0.07 -0.04 2.34 2.27 1cw1A1 ASN 26 H 0.07 -0.05 -0.39 -0.55 8.53 7.60 1cw1A1 ASN 26 HA 0.07 0.59 0.92 -0.75 4.76 5.59 1cw1A1 ASN 26 HB2 0.01 0.03 0.03 -0.04 2.88 2.91 1cw1A1 ASN 26 HB3 0.02 0.02 -0.10 -0.04 2.79 2.69 1cw1A1 ASN 26 HD21 0.02 0.03 -0.12 -0.04 7.03 6.92 1cw1A1 ASN 26 HD22 0.01 0.01 -0.07 -0.04 7.74 7.65 1cw1A1 PRO 27 HA -0.02 0.35 0.58 -0.51 4.44 4.84 1cw1A1 PRO 27 HB2 -0.21 0.07 -0.04 -0.04 2.28 2.05 1cw1A1 PRO 27 HB3 -0.12 0.05 0.09 -0.04 2.02 2.00 1cw1A1 PRO 27 HG2 -0.35 -0.12 -0.02 -0.04 2.03 1.49 1cw1A1 PRO 27 HG3 -0.62 0.04 -0.05 -0.04 2.03 1.36 1cw1A1 PRO 27 HD2 0.20 0.20 -0.19 -0.04 3.68 3.85 1cw1A1 PRO 27 HD3 0.30 0.39 -0.37 -0.04 3.65 3.93 1cw1A1 ILE 28 H 0.00 0.38 0.25 -0.55 8.25 8.33 1cw1A1 ILE 28 HA -0.13 0.25 0.83 -0.75 4.18 4.37 1cw1A1 ILE 28 HB 0.04 -0.05 0.08 -0.04 1.89 1.91 1cw1A1 ILE 28 HG12 -0.04 0.08 -0.06 -0.04 1.49 1.43 1cw1A1 ILE 28 HG13 0.02 -0.09 -0.21 -0.04 1.21 0.88 1cw1A1 ILE 28 HG23 -0.38 -0.00 -0.16 -0.04 0.93 0.35 1cw1A1 ILE 28 HD13 0.10 0.02 -0.24 -0.04 0.88 0.71 1cw1A1 ILE 29 H -0.22 0.45 0.10 -0.55 8.25 8.04 1cw1A1 ILE 29 HA -0.08 0.40 1.07 -0.75 4.18 4.81 1cw1A1 ILE 29 HB -0.56 -0.14 0.00 -0.04 1.89 1.15 1cw1A1 ILE 29 HG12 -0.40 -0.01 -0.48 -0.04 1.49 0.56 1cw1A1 ILE 29 HG13 -0.55 -0.09 -0.15 -0.04 1.21 0.39 1cw1A1 ILE 29 HG23 0.08 0.04 -0.18 -0.04 0.93 0.83 1cw1A1 ILE 29 HD13 -0.21 0.06 -0.07 -0.04 0.88 0.62 1cw1A1 PRO 30 HA 0.03 0.41 0.76 -0.51 4.44 5.12 1cw1A1 PRO 30 HB2 0.04 -0.08 -0.01 -0.04 2.28 2.19 1cw1A1 PRO 30 HB3 -0.05 -0.06 0.01 -0.04 2.02 1.89 1cw1A1 PRO 30 HG2 0.07 0.05 -0.08 -0.04 2.03 2.04 1cw1A1 PRO 30 HG3 -0.29 -0.00 -0.04 -0.04 2.03 1.66 1cw1A1 PRO 30 HD2 0.06 0.48 0.42 -0.04 3.68 4.60 1cw1A1 PRO 30 HD3 -0.05 0.30 0.17 -0.04 3.65 4.03 1cw1A1 TYR 31 H -0.07 0.47 0.38 -0.55 8.29 8.51 1cw1A1 TYR 31 HA 0.05 0.32 0.85 -0.75 4.56 5.03 1cw1A1 TYR 31 HB2 -0.02 0.00 -0.03 -0.04 3.06 2.98 1cw1A1 TYR 31 HB3 0.22 0.10 -0.27 -0.04 2.98 2.98 1cw1A1 TYR 31 HD2 0.05 0.06 -0.32 -0.04 7.15 6.89 1cw1A1 TYR 31 HE2 -0.03 -0.00 -0.21 -0.04 6.85 6.57 1cw1A1 ILE 32 H 0.07 0.66 0.37 -0.55 8.25 8.80 1cw1A1 ILE 32 HA -0.21 0.29 0.94 -0.75 4.18 4.46 1cw1A1 ILE 32 HB 0.02 -0.00 0.18 -0.04 1.89 2.04 1cw1A1 ILE 32 HG12 -0.07 -0.00 -0.34 -0.04 1.49 1.03 1cw1A1 ILE 32 HG13 -0.03 0.03 -0.29 -0.04 1.21 0.87 1cw1A1 ILE 32 HG23 0.01 -0.06 -0.04 -0.04 0.93 0.80 1cw1A1 ILE 32 HD13 0.02 0.00 -0.19 -0.04 0.88 0.67 1cw1A1 GLU 33 H -0.11 0.23 0.15 -0.55 8.60 8.32 1cw1A1 GLU 33 HA 0.11 0.08 0.42 -0.75 4.29 4.15 1cw1A1 GLU 33 HB2 0.03 0.05 0.11 -0.04 2.09 2.23 1cw1A1 GLU 33 HB3 0.03 -0.09 0.12 -0.04 1.99 2.01 1cw1A1 GLU 33 HG2 0.05 0.03 -0.42 -0.04 2.34 1.96 1cw1A1 GLU 33 HG3 0.06 0.03 -0.06 -0.04 2.34 2.34 1cw1A1 GLY 34 H 0.04 0.00 -0.13 -0.55 8.43 7.79 1cw1A1 GLY 34 HA2 0.05 0.04 0.23 -0.51 4.01 3.82 1cw1A1 GLY 34 HA3 0.05 0.11 0.65 -0.51 4.01 4.31 1cw1A1 ASP 35 H 0.07 0.45 0.32 -0.55 8.40 8.69 1cw1A1 ASP 35 HA 0.07 0.10 0.62 -0.75 4.63 4.66 1cw1A1 ASP 35 HB2 0.08 0.01 0.02 -0.04 2.71 2.77 1cw1A1 ASP 35 HB3 0.08 -0.02 0.17 -0.04 2.70 2.90 1cw1A1 GLY 36 H 0.05 0.12 0.17 -0.55 8.43 8.23 1cw1A1 GLY 36 HA2 0.04 0.07 0.39 -0.51 4.01 4.01 1cw1A1 GLY 36 HA3 0.05 0.17 0.41 -0.51 4.01 4.13 1cw1A1 ILE 37 H 0.08 0.65 0.27 -0.55 8.25 8.69 1cw1A1 ILE 37 HA 0.06 -0.08 0.45 -0.75 4.18 3.86 1cw1A1 ILE 37 HB 0.06 -0.10 0.12 -0.04 1.89 1.93 1cw1A1 ILE 37 HG12 0.10 0.09 -0.00 -0.04 1.49 1.65 1cw1A1 ILE 37 HG13 0.15 0.04 -0.15 -0.04 1.21 1.21 1cw1A1 ILE 37 HG23 0.10 0.04 -0.07 -0.04 0.93 0.96 1cw1A1 ILE 37 HD13 -0.08 0.04 -0.08 -0.04 0.88 0.72 1cw1A1 GLY 38 H 0.07 0.59 -0.67 -0.55 8.43 7.89 1cw1A1 GLY 38 HA2 0.07 -0.06 0.52 -0.51 4.01 4.04 1cw1A1 GLY 38 HA3 0.06 0.23 0.19 -0.51 4.01 3.99 1cw1A1 VAL 39 H 0.04 0.40 -0.31 -0.55 8.24 7.82 1cw1A1 VAL 39 HA 0.03 0.11 0.35 -0.75 4.13 3.86 1cw1A1 VAL 39 HB 0.03 0.05 0.09 -0.04 2.12 2.24 1cw1A1 VAL 39 HG13 0.03 0.01 -0.02 -0.04 0.97 0.94 1cw1A1 VAL 39 HG23 0.02 0.01 0.06 -0.04 0.95 1.00 1cw1A1 ASP 40 H 0.03 0.29 -0.43 -0.55 8.40 7.74 1cw1A1 ASP 40 HA 0.01 0.19 0.72 -0.75 4.63 4.79 1cw1A1 ASP 40 HB2 0.03 0.13 0.18 -0.04 2.71 3.01 1cw1A1 ASP 40 HB3 0.01 -0.05 0.02 -0.04 2.70 2.64 1cw1A1 VAL 41 H 0.04 0.53 0.17 -0.55 8.24 8.43 1cw1A1 VAL 41 HA 0.01 0.06 0.48 -0.75 4.13 3.92 1cw1A1 VAL 41 HB 0.07 -0.03 0.09 -0.04 2.12 2.20 1cw1A1 VAL 41 HG13 0.06 0.01 -0.13 -0.04 0.97 0.87 1cw1A1 VAL 41 HG23 0.10 0.06 0.06 -0.04 0.95 1.13 1cw1A1 THR 42 H 0.00 0.49 0.00 -0.55 8.28 8.23 1cw1A1 THR 42 HA -0.09 -0.00 0.38 -0.75 4.39 3.93 1cw1A1 THR 42 HB -0.00 0.19 0.17 -0.04 4.32 4.64 1cw1A1 THR 42 HG23 -0.09 -0.03 -0.16 -0.04 1.22 0.90 1cw1A1 PRO 43 HA -0.17 0.05 0.36 -0.51 4.44 4.17 1cw1A1 PRO 43 HB2 -0.05 0.03 -0.00 -0.04 2.28 2.22 1cw1A1 PRO 43 HB3 -0.06 0.02 0.06 -0.04 2.02 2.00 1cw1A1 PRO 43 HG2 -0.02 0.19 0.12 -0.04 2.03 2.28 1cw1A1 PRO 43 HG3 -0.04 -0.01 0.05 -0.04 2.03 2.00 1cw1A1 PRO 43 HD2 -0.03 0.17 -0.66 -0.04 3.68 3.11 1cw1A1 PRO 43 HD3 -0.02 0.15 -0.07 -0.04 3.65 3.66 1cw1A1 ALA 44 H -0.06 0.30 -0.35 -0.55 8.40 7.75 1cw1A1 ALA 44 HA -0.06 0.03 0.45 -0.75 4.34 4.01 1cw1A1 ALA 44 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 1cw1A1 MET 45 H -0.10 0.51 -0.14 -0.55 8.47 8.19 1cw1A1 MET 45 HA -0.07 -0.00 0.39 -0.75 4.52 4.08 1cw1A1 MET 45 HB2 -0.07 -0.05 -0.01 -0.04 2.15 1.98 1cw1A1 MET 45 HB3 -0.19 0.13 0.15 -0.04 2.03 2.08 1cw1A1 MET 45 HG2 -0.05 -0.04 -0.08 -0.04 2.63 2.42 1cw1A1 MET 45 HG3 -0.06 0.02 -0.21 -0.04 2.56 2.27 1cw1A1 MET 45 HE3 -0.35 0.01 -0.12 -0.04 2.10 1.59 1cw1A1 LEU 46 H -0.35 0.64 -0.04 -0.55 8.37 8.08 1cw1A1 LEU 46 HA -0.71 0.02 0.30 -0.75 4.35 3.20 1cw1A1 LEU 46 HB2 -0.40 0.08 0.12 -0.04 1.64 1.40 1cw1A1 LEU 46 HB3 -0.71 -0.01 0.01 -0.04 1.64 0.89 1cw1A1 LEU 46 HG -0.71 0.16 -0.04 -0.04 1.64 1.01 1cw1A1 LEU 46 HD13 -0.66 -0.02 -0.07 -0.04 0.93 0.14 1cw1A1 LEU 46 HD23 -2.31 -0.01 -0.07 -0.04 0.89 -1.54 1cw1A1 LYS 47 H -0.15 0.47 -0.25 -0.55 8.42 7.94 1cw1A1 LYS 47 HA -0.03 0.02 0.37 -0.75 4.32 3.93 1cw1A1 LYS 47 HB2 -0.06 0.01 0.10 -0.04 1.87 1.88 1cw1A1 LYS 47 HB3 -0.06 0.07 0.12 -0.04 1.79 1.88 1cw1A1 LYS 47 HG2 -0.03 0.01 -0.23 -0.04 1.46 1.18 1cw1A1 LYS 47 HG3 -0.02 -0.02 0.02 -0.04 1.46 1.40 1cw1A1 LYS 47 HD2 -0.03 -0.02 -0.02 -0.04 1.69 1.58 1cw1A1 LYS 47 HD3 -0.04 -0.02 -0.05 -0.04 1.68 1.53 1cw1A1 LYS 47 HE2 -0.03 0.02 -0.06 -0.04 2.99 2.88 1cw1A1 LYS 47 HE3 -0.02 0.01 -0.03 -0.04 2.99 2.91 1cw1A1 VAL 48 H -0.06 0.58 -0.07 -0.55 8.24 8.14 1cw1A1 VAL 48 HA -0.03 0.03 0.45 -0.75 4.13 3.83 1cw1A1 VAL 48 HB -0.04 0.04 0.19 -0.04 2.12 2.26 1cw1A1 VAL 48 HG13 -0.04 -0.01 -0.11 -0.04 0.97 0.76 1cw1A1 VAL 48 HG23 -0.09 0.06 0.08 -0.04 0.95 0.96 1cw1A1 VAL 49 H 0.03 0.75 -0.06 -0.55 8.24 8.40 1cw1A1 VAL 49 HA 0.11 0.01 0.32 -0.75 4.13 3.82 1cw1A1 VAL 49 HB 0.34 0.10 0.10 -0.04 2.12 2.61 1cw1A1 VAL 49 HG13 0.34 -0.01 -0.15 -0.04 0.97 1.10 1cw1A1 VAL 49 HG23 0.13 0.01 -0.03 -0.04 0.95 1.03 1cw1A1 ASP 50 H 0.17 0.61 -0.10 -0.55 8.40 8.53 1cw1A1 ASP 50 HA 0.20 -0.02 0.40 -0.75 4.63 4.45 1cw1A1 ASP 50 HB2 0.11 0.09 0.18 -0.04 2.71 3.05 1cw1A1 ASP 50 HB3 0.13 -0.04 0.05 -0.04 2.70 2.79 1cw1A1 ALA 51 H 0.05 0.53 -0.23 -0.55 8.40 8.20 1cw1A1 ALA 51 HA 0.02 -0.01 0.42 -0.75 4.34 4.02 1cw1A1 ALA 51 HB3 -0.00 0.03 0.13 -0.04 1.41 1.52 1cw1A1 ALA 52 H 0.04 0.56 -0.12 -0.55 8.40 8.33 1cw1A1 ALA 52 HA -0.01 0.04 0.43 -0.75 4.34 4.04 1cw1A1 ALA 52 HB3 0.04 0.04 0.11 -0.04 1.41 1.56 1cw1A1 VAL 53 H 0.12 0.65 -0.03 -0.55 8.24 8.43 1cw1A1 VAL 53 HA 0.06 -0.03 0.48 -0.75 4.13 3.88 1cw1A1 VAL 53 HB 0.30 -0.04 -0.01 -0.04 2.12 2.33 1cw1A1 VAL 53 HG13 0.38 0.08 -0.01 -0.04 0.97 1.38 1cw1A1 VAL 53 HG23 0.17 0.03 -0.09 -0.04 0.95 1.02 1cw1A1 GLU 54 H 0.05 0.57 -0.17 -0.55 8.60 8.50 1cw1A1 GLU 54 HA 0.02 -0.01 0.46 -0.75 4.29 4.00 1cw1A1 GLU 54 HB2 0.04 0.04 0.15 -0.04 2.09 2.27 1cw1A1 GLU 54 HB3 0.01 0.11 0.23 -0.04 1.99 2.30 1cw1A1 GLU 54 HG2 0.01 -0.03 -0.01 -0.04 2.34 2.26 1cw1A1 GLU 54 HG3 -0.01 0.00 -0.22 -0.04 2.34 2.08 1cw1A1 LYS 55 H -0.03 0.65 -0.08 -0.55 8.42 8.40 1cw1A1 LYS 55 HA -0.06 -0.01 0.38 -0.75 4.32 3.88 1cw1A1 LYS 55 HB2 -0.04 0.01 0.14 -0.04 1.87 1.94 1cw1A1 LYS 55 HB3 -0.07 0.07 0.18 -0.04 1.79 1.94 1cw1A1 LYS 55 HG2 -0.08 0.01 -0.16 -0.04 1.46 1.18 1cw1A1 LYS 55 HG3 -0.05 -0.06 0.04 -0.04 1.46 1.35 1cw1A1 LYS 55 HD2 -0.04 -0.02 0.01 -0.04 1.69 1.59 1cw1A1 LYS 55 HD3 -0.05 0.01 0.00 -0.04 1.68 1.61 1cw1A1 LYS 55 HE2 -0.04 0.08 -0.01 -0.04 2.99 2.99 1cw1A1 LYS 55 HE3 -0.05 -0.00 -0.03 -0.04 2.99 2.87 1cw1A1 ALA 56 H -0.20 0.59 -0.10 -0.55 8.40 8.14 1cw1A1 ALA 56 HA -0.31 0.06 0.39 -0.75 4.34 3.73 1cw1A1 ALA 56 HB3 -0.73 -0.03 0.01 -0.04 1.41 0.61 1cw1A1 TYR 57 H -0.32 0.57 -0.10 -0.55 8.29 7.89 1cw1A1 TYR 57 HA -0.13 0.23 0.90 -0.75 4.56 4.81 1cw1A1 TYR 57 HB2 -0.24 -0.00 0.13 -0.04 3.06 2.90 1cw1A1 TYR 57 HB3 -0.23 -0.03 0.16 -0.04 2.98 2.84 1cw1A1 TYR 57 HD2 -0.32 0.10 -0.01 -0.04 7.15 6.88 1cw1A1 TYR 57 HE2 -0.23 -0.01 -0.02 -0.04 6.85 6.54 1cw1A1 LYS 58 H -0.08 0.34 -0.40 -0.55 8.42 7.72 1cw1A1 LYS 58 HA -0.03 0.11 0.36 -0.75 4.32 4.00 1cw1A1 LYS 58 HB2 -0.02 0.02 0.15 -0.04 1.87 1.98 1cw1A1 LYS 58 HB3 -0.02 -0.04 0.15 -0.04 1.79 1.83 1cw1A1 LYS 58 HG2 -0.04 -0.05 -0.41 -0.04 1.46 0.92 1cw1A1 LYS 58 HG3 -0.03 -0.06 -0.06 -0.04 1.46 1.27 1cw1A1 LYS 58 HD2 -0.06 0.19 0.04 -0.04 1.69 1.82 1cw1A1 LYS 58 HD3 -0.06 0.03 0.00 -0.04 1.68 1.61 1cw1A1 LYS 58 HE2 -0.03 -0.06 0.02 -0.04 2.99 2.87 1cw1A1 LYS 58 HE3 -0.03 -0.03 0.04 -0.04 2.99 2.93 1cw1A1 GLY 59 H -0.00 0.28 -0.08 -0.55 8.43 8.07 1cw1A1 GLY 59 HA2 0.00 0.01 0.31 -0.51 4.01 3.82 1cw1A1 GLY 59 HA3 -0.00 0.05 0.42 -0.51 4.01 3.97 1cw1A1 GLU 60 H -0.00 0.61 -0.37 -0.55 8.60 8.29 1cw1A1 GLU 60 HA -0.03 0.03 0.46 -0.75 4.29 3.99 1cw1A1 GLU 60 HB2 -0.04 0.05 0.13 -0.04 2.09 2.19 1cw1A1 GLU 60 HB3 -0.08 -0.10 0.05 -0.04 1.99 1.82 1cw1A1 GLU 60 HG2 -0.02 0.21 0.05 -0.04 2.34 2.54 1cw1A1 GLU 60 HG3 -0.03 -0.09 0.04 -0.04 2.34 2.22 1cw1A1 ARG 61 H -0.05 0.05 -0.12 -0.55 8.46 7.78 1cw1A1 ARG 61 HA -0.10 0.28 0.97 -0.75 4.34 4.73 1cw1A1 ARG 61 HB2 -0.51 -0.09 0.00 -0.04 1.90 1.26 1cw1A1 ARG 61 HB3 -0.65 0.12 0.08 -0.04 1.80 1.31 1cw1A1 ARG 61 HG2 -0.45 0.02 -0.04 -0.04 1.67 1.15 1cw1A1 ARG 61 HG3 -0.52 -0.09 -0.15 -0.04 1.67 0.87 1cw1A1 ARG 61 HD2 -2.71 -0.07 -0.03 -0.04 3.22 0.36 1cw1A1 ARG 61 HD3 -2.10 0.08 -0.04 -0.04 3.22 1.12 1cw1A1 LYS 62 H 0.10 0.80 0.29 -0.55 8.42 9.06 1cw1A1 LYS 62 HA 0.10 -0.03 0.56 -0.75 4.32 4.19 1cw1A1 LYS 62 HB2 0.03 0.11 -0.32 -0.04 1.87 1.66 1cw1A1 LYS 62 HB3 0.03 -0.03 -0.11 -0.04 1.79 1.64 1cw1A1 LYS 62 HG2 0.01 0.14 -0.26 -0.04 1.46 1.31 1cw1A1 LYS 62 HG3 0.05 -0.06 0.05 -0.04 1.46 1.46 1cw1A1 LYS 62 HD2 0.03 0.00 -0.06 -0.04 1.69 1.63 1cw1A1 LYS 62 HD3 0.03 -0.02 -0.11 -0.04 1.68 1.53 1cw1A1 LYS 62 HE2 0.07 -0.03 -0.01 -0.04 2.99 2.98 1cw1A1 LYS 62 HE3 0.04 -0.06 -0.03 -0.04 2.99 2.90 1cw1A1 ILE 63 H -0.02 0.06 0.09 -0.55 8.25 7.84 1cw1A1 ILE 63 HA -0.23 0.29 0.64 -0.75 4.18 4.13 1cw1A1 ILE 63 HB -0.70 -0.09 0.06 -0.04 1.89 1.12 1cw1A1 ILE 63 HG12 -0.54 0.11 -0.08 -0.04 1.49 0.94 1cw1A1 ILE 63 HG13 -0.01 -0.06 -0.10 -0.04 1.21 1.01 1cw1A1 ILE 63 HG23 -1.66 -0.01 -0.28 -0.04 0.93 -1.06 1cw1A1 ILE 63 HD13 -0.41 -0.02 -0.10 -0.04 0.88 0.31 1cw1A1 SER 64 H -0.26 0.87 0.20 -0.55 8.46 8.72 1cw1A1 SER 64 HA -0.08 0.08 0.84 -0.75 4.49 4.58 1cw1A1 SER 64 HB2 -0.08 -0.01 0.11 -0.04 3.95 3.93 1cw1A1 SER 64 HB3 -0.03 -0.04 0.08 -0.04 3.93 3.90 1cw1A1 TRP 65 H 0.06 0.16 -0.00 -0.55 7.97 7.64 1cw1A1 TRP 65 HA 0.03 0.24 0.60 -0.75 4.62 4.73 1cw1A1 TRP 65 HB2 -0.01 -0.04 0.08 -0.04 3.23 3.22 1cw1A1 TRP 65 HB3 -0.07 -0.03 -0.04 -0.04 3.23 3.05 1cw1A1 TRP 65 HD1 -0.05 0.02 0.03 -0.04 7.22 7.17 1cw1A1 TRP 65 HE1 -0.05 0.02 0.01 -0.04 10.20 10.14 1cw1A1 TRP 65 HE3 -0.06 0.15 -0.11 -0.04 7.59 7.53 1cw1A1 TRP 65 HZ2 -0.06 -0.02 -0.05 -0.04 7.44 7.27 1cw1A1 TRP 65 HZ3 -0.07 0.02 -0.14 -0.04 7.13 6.89 1cw1A1 TRP 65 HH2 -0.09 -0.01 -0.11 -0.04 7.19 6.94 1cw1A1 MET 66 H 0.32 0.66 0.24 -0.55 8.47 9.14 1cw1A1 MET 66 HA 0.09 0.16 0.89 -0.75 4.52 4.90 1cw1A1 MET 66 HB2 -0.07 0.10 -0.10 -0.04 2.15 2.03 1cw1A1 MET 66 HB3 -0.12 -0.04 -0.05 -0.04 2.03 1.78 1cw1A1 MET 66 HG2 -0.11 -0.08 -0.37 -0.04 2.63 2.03 1cw1A1 MET 66 HG3 -0.05 0.21 -0.07 -0.04 2.56 2.61 1cw1A1 MET 66 HE3 -0.48 -0.01 -0.12 -0.04 2.10 1.44 1cw1A1 GLU 67 H -0.07 0.17 0.12 -0.55 8.60 8.27 1cw1A1 GLU 67 HA -0.98 0.19 0.78 -0.75 4.29 3.53 1cw1A1 GLU 67 HB2 -0.57 -0.01 0.10 -0.04 2.09 1.57 1cw1A1 GLU 67 HB3 -0.27 -0.01 0.17 -0.04 1.99 1.84 1cw1A1 GLU 67 HG2 -0.98 -0.01 -0.21 -0.04 2.34 1.10 1cw1A1 GLU 67 HG3 -0.86 0.07 0.16 -0.04 2.34 1.67 1cw1A1 ILE 68 H -0.54 0.62 0.39 -0.55 8.25 8.17 1cw1A1 ILE 68 HA -0.41 0.14 0.79 -0.75 4.18 3.95 1cw1A1 ILE 68 HB -0.07 -0.11 0.08 -0.04 1.89 1.75 1cw1A1 ILE 68 HG12 -0.14 0.02 -0.16 -0.04 1.49 1.16 1cw1A1 ILE 68 HG13 -0.13 -0.07 -0.37 -0.04 1.21 0.60 1cw1A1 ILE 68 HG23 -0.09 0.04 -0.19 -0.04 0.93 0.65 1cw1A1 ILE 68 HD13 -0.00 0.01 -0.13 -0.04 0.88 0.72 1cw1A1 TYR 69 H 0.04 0.14 0.11 -0.55 8.29 8.04 1cw1A1 TYR 69 HA -0.03 0.19 1.18 -0.75 4.56 5.15 1cw1A1 TYR 69 HB2 0.07 0.00 -0.04 -0.04 3.06 3.05 1cw1A1 TYR 69 HB3 -0.04 -0.08 -0.15 -0.04 2.98 2.67 1cw1A1 TYR 69 HD2 -0.02 -0.09 -0.14 -0.04 7.15 6.86 1cw1A1 TYR 69 HE2 -0.10 0.02 -0.17 -0.04 6.85 6.56 1cw1A1 THR 70 H 0.13 0.24 0.17 -0.55 8.28 8.27 1cw1A1 THR 70 HA 0.14 0.26 0.60 -0.75 4.39 4.64 1cw1A1 THR 70 HB 0.07 -0.06 -0.07 -0.04 4.32 4.21 1cw1A1 THR 70 HG23 0.11 0.01 -0.01 -0.04 1.22 1.28 1cw1A1 GLY 71 H 0.23 0.82 0.38 -0.55 8.43 9.31 1cw1A1 GLY 71 HA2 0.41 0.12 0.44 -0.51 4.01 4.46 1cw1A1 GLY 71 HA3 0.19 0.04 0.77 -0.51 4.01 4.49 1cw1A1 GLU 72 H 0.23 0.11 0.24 -0.55 8.60 8.63 1cw1A1 GLU 72 HA -0.14 0.13 0.41 -0.75 4.29 3.93 1cw1A1 GLU 72 HB2 0.21 -0.01 0.19 -0.04 2.09 2.44 1cw1A1 GLU 72 HB3 0.08 -0.04 0.17 -0.04 1.99 2.16 1cw1A1 GLU 72 HG2 0.08 -0.00 0.04 -0.04 2.34 2.41 1cw1A1 GLU 72 HG3 0.00 0.05 -0.09 -0.04 2.34 2.27 1cw1A1 LYS 73 H 0.04 0.09 -0.17 -0.55 8.42 7.83 1cw1A1 LYS 73 HA -0.06 0.11 0.32 -0.75 4.32 3.93 1cw1A1 LYS 73 HB2 0.04 -0.00 0.05 -0.04 1.87 1.92 1cw1A1 LYS 73 HB3 0.11 -0.00 -0.01 -0.04 1.79 1.84 1cw1A1 LYS 73 HG2 0.07 0.03 -0.10 -0.04 1.46 1.42 1cw1A1 LYS 73 HG3 -0.03 0.03 0.04 -0.04 1.46 1.46 1cw1A1 LYS 73 HD2 0.05 -0.00 -0.01 -0.04 1.69 1.69 1cw1A1 LYS 73 HD3 0.13 -0.04 -0.00 -0.04 1.68 1.73 1cw1A1 LYS 73 HE2 0.20 0.04 -0.04 -0.04 2.99 3.15 1cw1A1 LYS 73 HE3 0.02 0.02 -0.02 -0.04 2.99 2.97 1cw1A1 SER 74 H -0.02 0.22 -0.61 -0.55 8.46 7.50 1cw1A1 SER 74 HA -0.12 0.01 0.32 -0.75 4.49 3.94 1cw1A1 SER 74 HB2 0.12 -0.22 -0.30 -0.04 3.95 3.50 1cw1A1 SER 74 HB3 -0.03 0.24 0.06 -0.04 3.93 4.16 1cw1A1 THR 75 H -0.38 0.26 -0.15 -0.55 8.28 7.46 1cw1A1 THR 75 HA -0.34 0.29 0.33 -0.75 4.39 3.92 1cw1A1 THR 75 HB -0.48 -0.02 -0.13 -0.04 4.32 3.65 1cw1A1 THR 75 HG23 -1.68 -0.02 -0.19 -0.04 1.22 -0.71 1cw1A1 GLN 76 H -0.22 0.28 -0.32 -0.55 8.47 7.66 1cw1A1 GLN 76 HA -0.15 0.05 0.43 -0.75 4.36 3.94 1cw1A1 GLN 76 HB2 -0.15 0.06 0.06 -0.04 2.15 2.08 1cw1A1 GLN 76 HB3 -0.12 -0.00 0.04 -0.04 2.02 1.90 1cw1A1 GLN 76 HG2 -0.13 0.21 0.01 -0.04 2.40 2.44 1cw1A1 GLN 76 HG3 -0.08 -0.06 -0.04 -0.04 2.39 2.17 1cw1A1 GLN 76 HE21 -0.07 -0.01 -0.03 -0.04 6.97 6.82 1cw1A1 GLN 76 HE22 -0.08 0.02 0.00 -0.04 7.69 7.60 1cw1A1 VAL 77 H -0.32 0.28 -0.26 -0.55 8.24 7.39 1cw1A1 VAL 77 HA -0.38 0.12 0.65 -0.75 4.13 3.76 1cw1A1 VAL 77 HB -0.88 -0.03 0.13 -0.04 2.12 1.30 1cw1A1 VAL 77 HG13 -1.42 -0.01 -0.15 -0.04 0.97 -0.65 1cw1A1 VAL 77 HG23 -0.75 0.01 -0.03 -0.04 0.95 0.14 1cw1A1 TYR 78 H -0.24 0.75 0.11 -0.55 8.29 8.36 1cw1A1 TYR 78 HA -0.12 0.25 0.96 -0.75 4.56 4.89 1cw1A1 TYR 78 HB2 -0.12 0.09 0.06 -0.04 3.06 3.04 1cw1A1 TYR 78 HB3 -0.08 -0.07 0.09 -0.04 2.98 2.88 1cw1A1 TYR 78 HD2 -0.06 0.06 -0.00 -0.04 7.15 7.11 1cw1A1 TYR 78 HE2 0.05 0.06 -0.00 -0.04 6.85 6.92 1cw1A1 GLY 79 H -0.12 0.34 -0.15 -0.55 8.43 7.95 1cw1A1 GLY 79 HA2 -0.08 0.03 0.34 -0.51 4.01 3.79 1cw1A1 GLY 79 HA3 -0.04 0.16 0.90 -0.51 4.01 4.53 1cw1A1 GLN 80 H -0.06 0.14 0.13 -0.55 8.47 8.13 1cw1A1 GLN 80 HA -0.12 0.04 0.33 -0.75 4.36 3.86 1cw1A1 GLN 80 HB2 -0.03 0.04 0.15 -0.04 2.15 2.27 1cw1A1 GLN 80 HB3 -0.01 -0.06 0.13 -0.04 2.02 2.03 1cw1A1 GLN 80 HG2 0.04 0.01 -0.28 -0.04 2.40 2.13 1cw1A1 GLN 80 HG3 0.02 -0.01 -0.02 -0.04 2.39 2.34 1cw1A1 GLN 80 HE21 0.03 0.01 -0.02 -0.04 6.97 6.96 1cw1A1 GLN 80 HE22 0.05 -0.01 -0.05 -0.04 7.69 7.64 1cw1A1 ASP 81 H -0.02 0.12 -0.08 -0.55 8.40 7.87 1cw1A1 ASP 81 HA 0.11 0.20 0.84 -0.75 4.63 5.03 1cw1A1 ASP 81 HB2 0.08 -0.01 0.03 -0.04 2.71 2.76 1cw1A1 ASP 81 HB3 0.06 0.03 0.04 -0.04 2.70 2.78 1cw1A1 VAL 82 H -0.19 0.62 -0.37 -0.55 8.24 7.75 1cw1A1 VAL 82 HA 0.01 0.08 0.61 -0.75 4.13 4.08 1cw1A1 VAL 82 HB -0.03 0.11 -0.08 -0.04 2.12 2.07 1cw1A1 VAL 82 HG13 0.03 -0.02 -0.19 -0.04 0.97 0.75 1cw1A1 VAL 82 HG23 -0.01 0.02 -0.21 -0.04 0.95 0.71 1cw1A1 TRP 83 H 0.24 0.31 0.03 -0.55 7.97 8.00 1cw1A1 TRP 83 HA 0.04 0.17 0.66 -0.75 4.62 4.73 1cw1A1 TRP 83 HB2 0.02 0.06 0.07 -0.04 3.23 3.34 1cw1A1 TRP 83 HB3 0.02 -0.10 0.05 -0.04 3.23 3.16 1cw1A1 TRP 83 HD1 0.01 0.16 -0.07 -0.04 7.22 7.28 1cw1A1 TRP 83 HE1 0.01 0.05 -0.02 -0.04 10.20 10.20 1cw1A1 TRP 83 HE3 0.02 -0.15 -0.05 -0.04 7.59 7.36 1cw1A1 TRP 83 HZ2 0.01 0.04 -0.02 -0.04 7.44 7.43 1cw1A1 TRP 83 HZ3 0.01 -0.14 -0.07 -0.04 7.13 6.89 1cw1A1 TRP 83 HH2 0.01 -0.01 -0.02 -0.04 7.19 7.12 1cw1A1 LEU 84 H 0.19 0.15 -0.09 -0.55 8.37 8.06 1cw1A1 LEU 84 HA 0.13 0.18 0.76 -0.75 4.35 4.66 1cw1A1 LEU 84 HB2 0.14 -0.03 -0.13 -0.04 1.64 1.58 1cw1A1 LEU 84 HB3 0.12 -0.02 0.10 -0.04 1.64 1.80 1cw1A1 LEU 84 HG 0.06 0.02 -0.13 -0.04 1.64 1.55 1cw1A1 LEU 84 HD13 0.07 0.02 -0.03 -0.04 0.93 0.95 1cw1A1 LEU 84 HD23 0.06 -0.00 -0.08 -0.04 0.89 0.82 1cw1A1 PRO 85 HA -0.00 0.08 0.47 -0.51 4.44 4.49 1cw1A1 PRO 85 HB2 0.03 -0.18 -0.01 -0.04 2.28 2.09 1cw1A1 PRO 85 HB3 -0.13 0.10 0.07 -0.04 2.02 2.02 1cw1A1 PRO 85 HG2 0.29 0.06 -0.00 -0.04 2.03 2.33 1cw1A1 PRO 85 HG3 0.18 0.10 -0.11 -0.04 2.03 2.16 1cw1A1 PRO 85 HD2 0.12 0.25 0.22 -0.04 3.68 4.23 1cw1A1 PRO 85 HD3 0.14 0.13 -0.19 -0.04 3.65 3.68 1cw1A1 ALA 86 H -0.02 0.20 0.19 -0.55 8.40 8.22 1cw1A1 ALA 86 HA 0.01 0.13 0.37 -0.75 4.34 4.10 1cw1A1 ALA 86 HB3 -0.01 0.04 0.12 -0.04 1.41 1.51 1cw1A1 GLU 87 H -0.03 0.08 -0.19 -0.55 8.60 7.91 1cw1A1 GLU 87 HA 0.01 0.10 0.32 -0.75 4.29 3.97 1cw1A1 GLU 87 HB2 0.03 0.07 0.03 -0.04 2.09 2.18 1cw1A1 GLU 87 HB3 -0.03 0.04 0.07 -0.04 1.99 2.03 1cw1A1 GLU 87 HG2 -0.09 -0.06 -0.01 -0.04 2.34 2.14 1cw1A1 GLU 87 HG3 0.06 0.03 -0.16 -0.04 2.34 2.23 1cw1A1 THR 88 H 0.04 0.29 -0.41 -0.55 8.28 7.65 1cw1A1 THR 88 HA 0.05 0.03 0.44 -0.75 4.39 4.16 1cw1A1 THR 88 HB 0.06 0.18 0.10 -0.04 4.32 4.62 1cw1A1 THR 88 HG23 0.04 -0.01 -0.19 -0.04 1.22 1.02 1cw1A1 LEU 89 H 0.04 0.32 -0.18 -0.55 8.37 7.99 1cw1A1 LEU 89 HA 0.03 0.06 0.32 -0.75 4.35 4.01 1cw1A1 LEU 89 HB2 0.02 0.13 0.10 -0.04 1.64 1.85 1cw1A1 LEU 89 HB3 0.02 0.04 -0.05 -0.04 1.64 1.61 1cw1A1 LEU 89 HG 0.04 -0.01 -0.05 -0.04 1.64 1.57 1cw1A1 LEU 89 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.85 1cw1A1 LEU 89 HD23 0.03 -0.00 -0.12 -0.04 0.89 0.75 1cw1A1 ASP 90 H 0.03 0.33 -0.21 -0.55 8.40 8.00 1cw1A1 ASP 90 HA 0.02 0.06 0.38 -0.75 4.63 4.34 1cw1A1 ASP 90 HB2 0.03 0.02 0.15 -0.04 2.71 2.87 1cw1A1 ASP 90 HB3 0.02 0.01 -0.02 -0.04 2.70 2.67 1cw1A1 LEU 91 H 0.07 0.74 -0.06 -0.55 8.37 8.57 1cw1A1 LEU 91 HA 0.19 0.02 0.36 -0.75 4.35 4.18 1cw1A1 LEU 91 HB2 0.08 0.07 0.18 -0.04 1.64 1.93 1cw1A1 LEU 91 HB3 0.11 0.02 -0.08 -0.04 1.64 1.64 1cw1A1 LEU 91 HG 0.07 0.02 -0.06 -0.04 1.64 1.62 1cw1A1 LEU 91 HD13 0.26 -0.01 -0.04 -0.04 0.93 1.10 1cw1A1 LEU 91 HD23 0.07 -0.00 -0.08 -0.04 0.89 0.84 1cw1A1 ILE 92 H 0.07 0.50 -0.22 -0.55 8.25 8.06 1cw1A1 ILE 92 HA 0.10 0.06 0.22 -0.75 4.18 3.81 1cw1A1 ILE 92 HB 0.04 0.06 0.02 -0.04 1.89 1.96 1cw1A1 ILE 92 HG12 0.05 -0.02 -0.12 -0.04 1.49 1.36 1cw1A1 ILE 92 HG13 0.05 0.15 0.02 -0.04 1.21 1.38 1cw1A1 ILE 92 HG23 0.04 -0.00 -0.30 -0.04 0.93 0.62 1cw1A1 ILE 92 HD13 0.03 -0.04 -0.18 -0.04 0.88 0.65 1cw1A1 ARG 93 H 0.04 0.40 -0.26 -0.55 8.46 8.09 1cw1A1 ARG 93 HA 0.03 0.02 0.31 -0.75 4.34 3.95 1cw1A1 ARG 93 HB2 0.02 -0.04 0.06 -0.04 1.90 1.90 1cw1A1 ARG 93 HB3 0.02 0.08 0.15 -0.04 1.80 2.01 1cw1A1 ARG 93 HG2 0.01 -0.08 -0.04 -0.04 1.67 1.52 1cw1A1 ARG 93 HG3 -0.01 0.04 -0.26 -0.04 1.67 1.40 1cw1A1 ARG 93 HD2 0.01 0.13 0.00 -0.04 3.22 3.32 1cw1A1 ARG 93 HD3 0.02 -0.06 -0.05 -0.04 3.22 3.08 1cw1A1 GLU 94 H 0.02 0.56 -0.14 -0.55 8.60 8.49 1cw1A1 GLU 94 HA -0.10 -0.01 0.40 -0.75 4.29 3.82 1cw1A1 GLU 94 HB2 -0.06 -0.02 0.10 -0.04 2.09 2.07 1cw1A1 GLU 94 HB3 -0.06 0.04 0.18 -0.04 1.99 2.11 1cw1A1 GLU 94 HG2 -0.75 0.05 -0.18 -0.04 2.34 1.42 1cw1A1 GLU 94 HG3 -0.23 -0.04 0.04 -0.04 2.34 2.07 1cw1A1 TYR 95 H 0.14 0.66 -0.03 -0.55 8.29 8.51 1cw1A1 TYR 95 HA -0.00 0.12 0.82 -0.75 4.56 4.75 1cw1A1 TYR 95 HB2 0.01 0.04 0.12 -0.04 3.06 3.19 1cw1A1 TYR 95 HB3 -0.01 0.10 0.29 -0.04 2.98 3.32 1cw1A1 TYR 95 HD2 -0.00 0.10 0.12 -0.04 7.15 7.33 1cw1A1 TYR 95 HE2 0.01 -0.06 -0.04 -0.04 6.85 6.71 1cw1A1 ARG 96 H 0.05 0.30 -0.48 -0.55 8.46 7.77 1cw1A1 ARG 96 HA 0.05 0.07 0.49 -0.75 4.34 4.20 1cw1A1 ARG 96 HB2 0.04 0.10 -0.02 -0.04 1.90 1.98 1cw1A1 ARG 96 HB3 0.06 -0.09 -0.04 -0.04 1.80 1.69 1cw1A1 ARG 96 HG2 -0.01 0.11 -0.37 -0.04 1.67 1.36 1cw1A1 ARG 96 HG3 0.00 -0.12 -0.40 -0.04 1.67 1.12 1cw1A1 ARG 96 HD2 0.02 -0.05 0.01 -0.04 3.22 3.16 1cw1A1 ARG 96 HD3 0.01 0.21 0.15 -0.04 3.22 3.56 1cw1A1 VAL 97 H 0.09 0.61 -0.14 -0.55 8.24 8.25 1cw1A1 VAL 97 HA 0.14 0.19 1.01 -0.75 4.13 4.72 1cw1A1 VAL 97 HB -0.00 0.03 0.13 -0.04 2.12 2.23 1cw1A1 VAL 97 HG13 0.04 -0.03 -0.11 -0.04 0.97 0.83 1cw1A1 VAL 97 HG23 0.13 -0.00 -0.18 -0.04 0.95 0.86 1cw1A1 ALA 98 H 0.18 0.49 0.38 -0.55 8.40 8.90 1cw1A1 ALA 98 HA 0.13 0.28 0.78 -0.75 4.34 4.78 1cw1A1 ALA 98 HB3 0.09 -0.02 -0.08 -0.04 1.41 1.36 1cw1A1 ILE 99 H 0.18 0.49 0.33 -0.55 8.25 8.71 1cw1A1 ILE 99 HA 0.18 0.31 0.96 -0.75 4.18 4.87 1cw1A1 ILE 99 HB 0.18 0.03 -0.16 -0.04 1.89 1.91 1cw1A1 ILE 99 HG12 0.08 -0.04 -0.15 -0.04 1.49 1.34 1cw1A1 ILE 99 HG13 0.15 0.04 -0.16 -0.04 1.21 1.20 1cw1A1 ILE 99 HG23 0.23 0.01 -0.09 -0.04 0.93 1.03 1cw1A1 ILE 99 HD13 0.07 0.01 -0.15 -0.04 0.88 0.76 1cw1A1 LYS 100 H 0.08 0.50 0.33 -0.55 8.42 8.78 1cw1A1 LYS 100 HA 0.07 0.20 0.83 -0.75 4.32 4.67 1cw1A1 LYS 100 HB2 0.03 -0.07 0.07 -0.04 1.87 1.86 1cw1A1 LYS 100 HB3 0.04 -0.01 -0.22 -0.04 1.79 1.56 1cw1A1 LYS 100 HG2 0.02 0.16 -0.07 -0.04 1.46 1.53 1cw1A1 LYS 100 HG3 0.01 0.05 -0.15 -0.04 1.46 1.33 1cw1A1 LYS 100 HD2 0.02 -0.08 -0.13 -0.04 1.69 1.46 1cw1A1 LYS 100 HD3 0.02 -0.01 -0.17 -0.04 1.68 1.48 1cw1A1 LYS 100 HE2 0.01 -0.10 -0.13 -0.04 2.99 2.73 1cw1A1 LYS 100 HE3 -0.01 0.08 -0.18 -0.04 2.99 2.83 1cw1A1 GLY 101 H 0.04 0.40 -0.01 -0.55 8.43 8.32 1cw1A1 GLY 101 HA2 0.01 0.01 0.69 -0.51 4.01 4.21 1cw1A1 GLY 101 HA3 0.04 0.23 0.44 -0.51 4.01 4.20 1cw1A1 PRO 102 HA -0.01 0.20 0.41 -0.51 4.44 4.53 1cw1A1 PRO 102 HB2 0.09 -0.17 -0.38 -0.04 2.28 1.78 1cw1A1 PRO 102 HB3 0.06 0.28 -0.16 -0.04 2.02 2.16 1cw1A1 PRO 102 HG2 0.10 0.10 0.06 -0.04 2.03 2.26 1cw1A1 PRO 102 HG3 0.22 0.03 -0.02 -0.04 2.03 2.23 1cw1A1 PRO 102 HD2 0.09 0.09 0.26 -0.04 3.68 4.07 1cw1A1 PRO 102 HD3 0.09 0.11 0.14 -0.04 3.65 3.95 1cw1A1 LEU 103 H 0.03 0.33 0.17 -0.55 8.37 8.35 1cw1A1 LEU 103 HA 0.07 -0.02 0.94 -0.75 4.35 4.58 1cw1A1 LEU 103 HB2 0.03 0.13 -0.00 -0.04 1.64 1.76 1cw1A1 LEU 103 HB3 0.05 -0.10 -0.16 -0.04 1.64 1.40 1cw1A1 LEU 103 HG 0.09 -0.07 -0.11 -0.04 1.64 1.51 1cw1A1 LEU 103 HD13 0.06 0.05 -0.15 -0.04 0.93 0.85 1cw1A1 LEU 103 HD23 0.05 0.01 -0.19 -0.04 0.89 0.72 1cw1A1 THR 104 H 0.09 0.15 0.22 -0.55 8.28 8.19 1cw1A1 THR 104 HA 0.02 0.22 0.97 -0.75 4.39 4.85 1cw1A1 THR 104 HB 0.05 -0.07 -0.10 -0.04 4.32 4.15 1cw1A1 THR 104 HG23 0.07 -0.01 -0.12 -0.04 1.22 1.12 1cw1A1 THR 105 H -0.04 0.20 0.15 -0.55 8.28 8.04 1cw1A1 THR 105 HA -0.20 0.20 0.86 -0.75 4.39 4.50 1cw1A1 THR 105 HB -0.10 0.02 0.05 -0.04 4.32 4.25 1cw1A1 THR 105 HG23 -0.19 0.07 -0.35 -0.04 1.22 0.71 1cw1A1 PRO 106 HA -0.20 0.06 0.52 -0.51 4.44 4.31 1cw1A1 PRO 106 HB2 -0.38 0.09 -0.05 -0.04 2.28 1.89 1cw1A1 PRO 106 HB3 -0.62 0.03 0.07 -0.04 2.02 1.46 1cw1A1 PRO 106 HG2 -0.81 -0.03 0.01 -0.04 2.03 1.17 1cw1A1 PRO 106 HG3 -2.52 0.09 0.02 -0.04 2.03 -0.41 1cw1A1 PRO 106 HD2 -0.68 0.07 0.19 -0.04 3.68 3.22 1cw1A1 PRO 106 HD3 -1.09 0.15 0.14 -0.04 3.65 2.81 1cw1A1 VAL 107 H -0.10 0.19 0.21 -0.55 8.24 7.98 1cw1A1 VAL 107 HA -0.12 0.18 0.97 -0.75 4.13 4.41 1cw1A1 VAL 107 HB -0.06 -0.01 0.11 -0.04 2.12 2.12 1cw1A1 VAL 107 HG13 -0.07 0.02 -0.06 -0.04 0.97 0.83 1cw1A1 VAL 107 HG23 -0.04 0.01 -0.07 -0.04 0.95 0.81 1cw1A1 GLY 108 H -0.07 0.13 0.15 -0.55 8.43 8.10 1cw1A1 GLY 108 HA2 -0.03 0.05 0.35 -0.51 4.01 3.86 1cw1A1 GLY 108 HA3 -0.03 0.25 0.75 -0.51 4.01 4.47 1cw1A1 GLY 109 H -0.10 0.07 -0.28 -0.55 8.43 7.57 1cw1A1 GLY 109 HA2 -0.02 0.27 0.78 -0.51 4.01 4.54 1cw1A1 GLY 109 HA3 -0.06 0.05 0.22 -0.51 4.01 3.70 1cw1A1 GLY 110 H -0.07 -0.03 -0.09 -0.55 8.43 7.70 1cw1A1 GLY 110 HA2 -0.06 -0.01 0.26 -0.51 4.01 3.70 1cw1A1 GLY 110 HA3 -0.04 0.13 0.36 -0.51 4.01 3.95 1cw1A1 ILE 111 H -0.14 -0.07 -0.38 -0.55 8.25 7.12 1cw1A1 ILE 111 HA -0.09 0.14 0.59 -0.75 4.18 4.07 1cw1A1 ILE 111 HB -0.30 -0.00 0.01 -0.04 1.89 1.55 1cw1A1 ILE 111 HG12 -0.10 0.06 -0.03 -0.04 1.49 1.37 1cw1A1 ILE 111 HG13 -0.16 0.02 -0.19 -0.04 1.21 0.85 1cw1A1 ILE 111 HG23 -0.18 0.04 -0.08 -0.04 0.93 0.67 1cw1A1 ILE 111 HD13 -0.55 -0.01 -0.03 -0.04 0.88 0.25 1cw1A1 ARG 112 H -0.07 0.17 0.14 -0.55 8.46 8.14 1cw1A1 ARG 112 HA -0.09 0.13 0.79 -0.75 4.34 4.42 1cw1A1 ARG 112 HB2 -0.05 0.04 0.06 -0.04 1.90 1.91 1cw1A1 ARG 112 HB3 -0.06 -0.02 0.06 -0.04 1.80 1.73 1cw1A1 ARG 112 HG2 -0.09 -0.04 -0.04 -0.04 1.67 1.47 1cw1A1 ARG 112 HG3 -0.07 0.06 -0.12 -0.04 1.67 1.50 1cw1A1 ARG 112 HD2 -0.07 0.04 0.03 -0.04 3.22 3.17 1cw1A1 ARG 112 HD3 -0.09 -0.02 0.02 -0.04 3.22 3.10 1cw1A1 SER 113 H -0.06 0.14 0.09 -0.55 8.46 8.08 1cw1A1 SER 113 HA -0.05 -0.03 0.35 -0.75 4.49 4.01 1cw1A1 SER 113 HB2 -0.03 0.09 0.12 -0.04 3.95 4.10 1cw1A1 SER 113 HB3 -0.02 0.10 0.12 -0.04 3.93 4.08 1cw1A1 LEU 114 H -0.02 0.11 0.08 -0.55 8.37 7.99 1cw1A1 LEU 114 HA 0.02 0.18 0.43 -0.75 4.35 4.22 1cw1A1 LEU 114 HB2 0.04 -0.05 -0.04 -0.04 1.64 1.55 1cw1A1 LEU 114 HB3 0.07 0.05 -0.02 -0.04 1.64 1.70 1cw1A1 LEU 114 HG -0.04 -0.03 0.01 -0.04 1.64 1.54 1cw1A1 LEU 114 HD13 0.20 0.03 0.04 -0.04 0.93 1.16 1cw1A1 LEU 114 HD23 0.07 0.04 -0.06 -0.04 0.89 0.89 1cw1A1 ASN 115 H 0.02 0.04 -0.16 -0.55 8.53 7.88 1cw1A1 ASN 115 HA 0.01 0.15 0.32 -0.75 4.76 4.49 1cw1A1 ASN 115 HB2 0.03 -0.08 0.00 -0.04 2.88 2.79 1cw1A1 ASN 115 HB3 0.00 0.13 -0.08 -0.04 2.79 2.81 1cw1A1 ASN 115 HD21 0.02 0.12 0.04 -0.04 7.03 7.18 1cw1A1 ASN 115 HD22 0.02 -0.05 0.00 -0.04 7.74 7.67 1cw1A1 VAL 116 H 0.03 -0.00 -0.32 -0.55 8.24 7.40 1cw1A1 VAL 116 HA 0.03 0.12 0.38 -0.75 4.13 3.91 1cw1A1 VAL 116 HB 0.03 0.04 0.01 -0.04 2.12 2.16 1cw1A1 VAL 116 HG13 0.06 0.05 -0.14 -0.04 0.97 0.90 1cw1A1 VAL 116 HG23 0.17 -0.01 -0.02 -0.04 0.95 1.04 1cw1A1 ALA 117 H 0.01 0.35 -0.34 -0.55 8.40 7.88 1cw1A1 ALA 117 HA 0.01 0.02 0.32 -0.75 4.34 3.94 1cw1A1 ALA 117 HB3 0.02 0.05 0.06 -0.04 1.41 1.49 1cw1A1 LEU 118 H 0.02 0.48 -0.23 -0.55 8.37 8.10 1cw1A1 LEU 118 HA 0.02 0.00 0.30 -0.75 4.35 3.92 1cw1A1 LEU 118 HB2 0.01 0.12 0.09 -0.04 1.64 1.82 1cw1A1 LEU 118 HB3 0.00 0.02 -0.10 -0.04 1.64 1.52 1cw1A1 LEU 118 HG 0.03 0.03 0.00 -0.04 1.64 1.67 1cw1A1 LEU 118 HD13 0.03 -0.03 -0.13 -0.04 0.93 0.76 1cw1A1 LEU 118 HD23 0.03 -0.01 -0.11 -0.04 0.89 0.76 1cw1A1 ARG 119 H -0.00 0.39 -0.25 -0.55 8.46 8.05 1cw1A1 ARG 119 HA -0.03 0.02 0.32 -0.75 4.34 3.90 1cw1A1 ARG 119 HB2 -0.01 0.03 0.13 -0.04 1.90 2.02 1cw1A1 ARG 119 HB3 -0.03 0.11 -0.04 -0.04 1.80 1.80 1cw1A1 ARG 119 HG2 -0.06 0.00 -0.02 -0.04 1.67 1.55 1cw1A1 ARG 119 HG3 -0.03 0.15 0.06 -0.04 1.67 1.81 1cw1A1 ARG 119 HD2 -0.02 -0.12 -0.12 -0.04 3.22 2.92 1cw1A1 ARG 119 HD3 -0.07 0.02 -0.06 -0.04 3.22 3.08 1cw1A1 GLN 120 H 0.01 0.71 -0.03 -0.55 8.47 8.61 1cw1A1 GLN 120 HA 0.02 0.02 0.43 -0.75 4.36 4.07 1cw1A1 GLN 120 HB2 0.01 0.05 0.12 -0.04 2.15 2.29 1cw1A1 GLN 120 HB3 0.01 -0.05 -0.03 -0.04 2.02 1.92 1cw1A1 GLN 120 HG2 0.02 -0.03 0.04 -0.04 2.40 2.39 1cw1A1 GLN 120 HG3 0.03 0.06 0.04 -0.04 2.39 2.48 1cw1A1 GLN 120 HE21 0.02 0.08 -0.02 -0.04 6.97 7.00 1cw1A1 GLN 120 HE22 0.05 -0.05 -0.17 -0.04 7.69 7.47 1cw1A1 GLU 121 H 0.01 0.65 -0.05 -0.55 8.60 8.67 1cw1A1 GLU 121 HA 0.02 0.03 0.42 -0.75 4.29 4.00 1cw1A1 GLU 121 HB2 0.02 0.11 0.05 -0.04 2.09 2.23 1cw1A1 GLU 121 HB3 0.02 -0.05 0.02 -0.04 1.99 1.93 1cw1A1 GLU 121 HG2 0.01 -0.04 0.01 -0.04 2.34 2.28 1cw1A1 GLU 121 HG3 0.01 0.06 0.09 -0.04 2.34 2.46 1cw1A1 LEU 122 H 0.01 0.39 -0.39 -0.55 8.37 7.83 1cw1A1 LEU 122 HA 0.02 0.14 0.69 -0.75 4.35 4.44 1cw1A1 LEU 122 HB2 -0.00 0.14 -0.01 -0.04 1.64 1.73 1cw1A1 LEU 122 HB3 0.01 -0.06 -0.00 -0.04 1.64 1.55 1cw1A1 LEU 122 HG 0.02 -0.07 -0.11 -0.04 1.64 1.43 1cw1A1 LEU 122 HD13 0.01 -0.01 -0.12 -0.04 0.93 0.77 1cw1A1 LEU 122 HD23 0.02 0.01 -0.04 -0.04 0.89 0.84 1cw1A1 ASP 123 H 0.03 0.30 -0.57 -0.55 8.40 7.61 1cw1A1 ASP 123 HA 0.06 0.05 0.26 -0.75 4.63 4.24 1cw1A1 ASP 123 HB2 0.04 0.06 -0.15 -0.04 2.71 2.62 1cw1A1 ASP 123 HB3 0.08 0.03 0.12 -0.04 2.70 2.89 1cw1A1 LEU 124 H 0.01 0.60 -0.22 -0.55 8.37 8.21 1cw1A1 LEU 124 HA -0.09 0.07 0.17 -0.75 4.35 3.74 1cw1A1 LEU 124 HB2 -0.07 -0.06 0.05 -0.04 1.64 1.52 1cw1A1 LEU 124 HB3 -0.14 -0.06 -0.41 -0.04 1.64 0.99 1cw1A1 LEU 124 HG -0.03 -0.01 -0.26 -0.04 1.64 1.31 1cw1A1 LEU 124 HD13 -0.08 -0.00 -0.18 -0.04 0.93 0.63 1cw1A1 LEU 124 HD23 -0.06 0.02 -0.32 -0.04 0.89 0.49 1cw1A1 TYR 125 H 0.08 0.39 0.02 -0.55 8.29 8.23 1cw1A1 TYR 125 HA -0.02 -0.03 0.25 -0.75 4.56 4.00 1cw1A1 TYR 125 HB2 0.02 -0.19 0.11 -0.04 3.06 2.96 1cw1A1 TYR 125 HB3 0.00 0.03 0.01 -0.04 2.98 2.98 1cw1A1 TYR 125 HD2 0.03 0.06 -0.04 -0.04 7.15 7.16 1cw1A1 TYR 125 HE2 0.04 0.03 -0.09 -0.04 6.85 6.78 1cw1A1 ILE 126 H -0.37 0.55 -0.22 -0.55 8.25 7.66 1cw1A1 ILE 126 HA -0.02 0.14 0.99 -0.75 4.18 4.53 1cw1A1 ILE 126 HB -0.27 0.02 0.15 -0.04 1.89 1.74 1cw1A1 ILE 126 HG12 0.13 -0.01 -0.08 -0.04 1.49 1.48 1cw1A1 ILE 126 HG13 -0.68 -0.11 -0.22 -0.04 1.21 0.15 1cw1A1 ILE 126 HG23 -0.12 -0.01 -0.27 -0.04 0.93 0.48 1cw1A1 ILE 126 HD13 -0.04 0.02 -0.10 -0.04 0.88 0.72 1cw1A1 CYS 127 H -0.10 0.59 0.19 -0.55 8.50 8.62 1cw1A1 CYS 127 HA -0.18 0.31 1.03 -0.75 4.58 4.97 1cw1A1 CYS 127 HB2 -0.13 -0.03 -0.01 -0.04 2.97 2.76 1cw1A1 CYS 127 HB3 -0.13 -0.10 0.17 -0.04 2.97 2.87 1cw1A1 LEU 128 H -0.26 0.66 0.18 -0.55 8.37 8.40 1cw1A1 LEU 128 HA -0.53 0.32 0.98 -0.75 4.35 4.37 1cw1A1 LEU 128 HB2 -0.49 -0.04 -0.07 -0.04 1.64 0.99 1cw1A1 LEU 128 HB3 -0.28 -0.05 0.10 -0.04 1.64 1.38 1cw1A1 LEU 128 HG -0.29 0.01 -0.28 -0.04 1.64 1.04 1cw1A1 LEU 128 HD13 -1.26 0.02 -0.16 -0.04 0.93 -0.51 1cw1A1 LEU 128 HD23 -0.11 0.00 -0.11 -0.04 0.89 0.63 1cw1A1 ARG 129 H -0.26 0.60 0.22 -0.55 8.46 8.47 1cw1A1 ARG 129 HA -0.08 0.35 1.04 -0.75 4.34 4.89 1cw1A1 ARG 129 HB2 -0.07 -0.13 0.15 -0.04 1.90 1.81 1cw1A1 ARG 129 HB3 -0.03 0.08 0.01 -0.04 1.80 1.82 1cw1A1 ARG 129 HG2 -0.12 -0.09 -0.53 -0.04 1.67 0.89 1cw1A1 ARG 129 HG3 -0.07 -0.09 -0.13 -0.04 1.67 1.34 1cw1A1 ARG 129 HD2 -0.03 0.01 -0.09 -0.04 3.22 3.08 1cw1A1 ARG 129 HD3 -0.05 0.23 0.14 -0.04 3.22 3.49 1cw1A1 PRO 130 HA 0.00 0.11 0.91 -0.51 4.44 4.96 1cw1A1 PRO 130 HB2 0.08 0.06 -0.03 -0.04 2.28 2.35 1cw1A1 PRO 130 HB3 0.03 -0.02 0.04 -0.04 2.02 2.03 1cw1A1 PRO 130 HG2 0.07 0.04 0.08 -0.04 2.03 2.18 1cw1A1 PRO 130 HG3 0.06 0.02 -0.03 -0.04 2.03 2.04 1cw1A1 PRO 130 HD2 -0.01 0.22 0.07 -0.04 3.68 3.92 1cw1A1 PRO 130 HD3 -0.08 0.06 -0.21 -0.04 3.65 3.38 1cw1A1 VAL 131 H 0.06 0.76 0.26 -0.55 8.24 8.77 1cw1A1 VAL 131 HA 0.10 0.18 0.92 -0.75 4.13 4.58 1cw1A1 VAL 131 HB 0.06 -0.09 0.03 -0.04 2.12 2.09 1cw1A1 VAL 131 HG13 0.08 -0.01 -0.35 -0.04 0.97 0.66 1cw1A1 VAL 131 HG23 0.05 0.01 -0.26 -0.04 0.95 0.70 1cw1A1 ARG 132 H 0.13 0.24 0.10 -0.55 8.46 8.38 1cw1A1 ARG 132 HA 0.08 0.38 0.85 -0.75 4.34 4.89 1cw1A1 ARG 132 HB2 -0.04 0.05 0.12 -0.04 1.90 1.99 1cw1A1 ARG 132 HB3 0.03 -0.02 -0.08 -0.04 1.80 1.69 1cw1A1 ARG 132 HG2 0.07 -0.05 -0.13 -0.04 1.67 1.53 1cw1A1 ARG 132 HG3 -0.02 -0.01 -0.28 -0.04 1.67 1.32 1cw1A1 ARG 132 HD2 -0.10 -0.00 -0.08 -0.04 3.22 3.00 1cw1A1 ARG 132 HD3 -0.19 -0.04 -0.10 -0.04 3.22 2.85 1cw1A1 TYR 133 H 0.11 0.26 0.19 -0.55 8.29 8.31 1cw1A1 TYR 133 HA 0.10 0.17 0.83 -0.75 4.56 4.91 1cw1A1 TYR 133 HB2 0.03 0.14 -0.13 -0.04 3.06 3.06 1cw1A1 TYR 133 HB3 0.00 -0.02 0.00 -0.04 2.98 2.93 1cw1A1 TYR 133 HD2 0.03 0.07 -0.08 -0.04 7.15 7.12 1cw1A1 TYR 133 HE2 0.00 0.04 -0.08 -0.04 6.85 6.78 1cw1A1 TYR 134 H -0.22 0.25 0.08 -0.55 8.29 7.86 1cw1A1 TYR 134 HA -0.16 0.14 0.84 -0.75 4.56 4.63 1cw1A1 TYR 134 HB2 -0.09 -0.03 0.09 -0.04 3.06 3.00 1cw1A1 TYR 134 HB3 -0.06 0.09 -0.03 -0.04 2.98 2.93 1cw1A1 TYR 134 HD2 0.01 0.03 -0.13 -0.04 7.15 7.01 1cw1A1 TYR 134 HE2 0.04 0.03 -0.05 -0.04 6.85 6.83 1cw1A1 GLN 135 H -0.15 0.16 0.07 -0.55 8.47 8.00 1cw1A1 GLN 135 HA -0.09 -0.03 0.38 -0.75 4.36 3.87 1cw1A1 GLN 135 HB2 0.00 0.00 0.16 -0.04 2.15 2.27 1cw1A1 GLN 135 HB3 0.02 0.06 -0.01 -0.04 2.02 2.06 1cw1A1 GLN 135 HG2 0.06 0.01 0.02 -0.04 2.40 2.45 1cw1A1 GLN 135 HG3 0.12 -0.01 0.04 -0.04 2.39 2.50 1cw1A1 GLN 135 HE21 0.11 0.03 0.01 -0.04 6.97 7.08 1cw1A1 GLN 135 HE22 0.05 0.01 0.05 -0.04 7.69 7.75 1cw1A1 GLY 136 H 0.08 0.10 0.15 -0.55 8.43 8.22 1cw1A1 GLY 136 HA2 0.06 -0.02 0.29 -0.51 4.01 3.83 1cw1A1 GLY 136 HA3 0.05 0.24 0.63 -0.51 4.01 4.41 1cw1A1 THR 137 H -0.18 0.39 -0.08 -0.55 8.28 7.86 1cw1A1 THR 137 HA -0.13 0.07 0.50 -0.75 4.39 4.08 1cw1A1 THR 137 HB -0.11 -0.03 0.11 -0.04 4.32 4.25 1cw1A1 THR 137 HG23 -0.41 -0.01 -0.10 -0.04 1.22 0.66 1cw1A1 PRO 138 HA -0.05 0.03 0.57 -0.51 4.44 4.49 1cw1A1 PRO 138 HB2 -0.13 -0.02 0.06 -0.04 2.28 2.14 1cw1A1 PRO 138 HB3 -0.09 0.11 0.04 -0.04 2.02 2.05 1cw1A1 PRO 138 HG2 -0.47 -0.05 0.22 -0.04 2.03 1.69 1cw1A1 PRO 138 HG3 -0.19 0.15 0.11 -0.04 2.03 2.06 1cw1A1 PRO 138 HD2 -0.78 -0.03 0.26 -0.04 3.68 3.09 1cw1A1 PRO 138 HD3 -0.12 0.29 0.19 -0.04 3.65 3.97 1cw1A1 SER 139 H -0.03 0.20 0.24 -0.55 8.46 8.32 1cw1A1 SER 139 HA -0.05 0.15 0.85 -0.75 4.49 4.68 1cw1A1 SER 139 HB2 0.04 0.03 -0.26 -0.04 3.95 3.73 1cw1A1 SER 139 HB3 -0.06 0.02 0.09 -0.04 3.93 3.94 1cw1A1 PRO 140 HA -0.05 0.13 0.61 -0.51 4.44 4.61 1cw1A1 PRO 140 HB2 -0.04 -0.04 0.06 -0.04 2.28 2.21 1cw1A1 PRO 140 HB3 -0.04 -0.01 0.08 -0.04 2.02 2.01 1cw1A1 PRO 140 HG2 -0.04 0.01 0.02 -0.04 2.03 1.98 1cw1A1 PRO 140 HG3 -0.04 -0.02 0.01 -0.04 2.03 1.94 1cw1A1 PRO 140 HD2 -0.04 0.23 0.26 -0.04 3.68 4.09 1cw1A1 PRO 140 HD3 -0.05 0.11 0.18 -0.04 3.65 3.85 1cw1A1 VAL 141 H -0.08 0.19 -0.14 -0.55 8.24 7.67 1cw1A1 VAL 141 HA -0.06 0.17 0.92 -0.75 4.13 4.40 1cw1A1 VAL 141 HB -0.06 -0.08 0.10 -0.04 2.12 2.05 1cw1A1 VAL 141 HG13 -0.05 0.01 -0.04 -0.04 0.97 0.85 1cw1A1 VAL 141 HG23 -0.10 0.04 -0.15 -0.04 0.95 0.70 1cw1A1 LYS 142 H -0.09 0.10 0.13 -0.55 8.42 8.01 1cw1A1 LYS 142 HA -0.23 0.16 0.52 -0.75 4.32 4.02 1cw1A1 LYS 142 HB2 -0.10 -0.03 0.12 -0.04 1.87 1.81 1cw1A1 LYS 142 HB3 -0.46 0.01 0.00 -0.04 1.79 1.30 1cw1A1 LYS 142 HG2 -0.12 0.03 0.04 -0.04 1.46 1.37 1cw1A1 LYS 142 HG3 -0.08 -0.01 0.06 -0.04 1.46 1.39 1cw1A1 LYS 142 HD2 0.00 -0.00 0.04 -0.04 1.69 1.69 1cw1A1 LYS 142 HD3 -0.02 0.00 0.02 -0.04 1.68 1.64 1cw1A1 LYS 142 HE2 -0.03 0.00 0.01 -0.04 2.99 2.94 1cw1A1 LYS 142 HE3 -0.02 0.00 0.02 -0.04 2.99 2.95 1cw1A1 HIS 143 H -0.08 0.07 -0.15 -0.55 8.41 7.71 1cw1A1 HIS 143 HA -0.12 0.25 0.87 -0.75 4.63 4.87 1cw1A1 HIS 143 HB2 -0.05 0.02 0.12 -0.04 3.26 3.31 1cw1A1 HIS 143 HB3 -0.06 -0.04 0.11 -0.04 3.20 3.16 1cw1A1 HIS 143 HD2 -0.03 -0.02 -0.09 -0.04 6.97 6.79 1cw1A1 HIS 143 HE1 -0.02 -0.01 -0.01 -0.04 7.75 7.67 1cw1A1 PRO 144 HA -0.15 0.09 0.34 -0.51 4.44 4.21 1cw1A1 PRO 144 HB2 -0.67 0.04 0.01 -0.04 2.28 1.61 1cw1A1 PRO 144 HB3 -0.26 0.16 0.10 -0.04 2.02 1.98 1cw1A1 PRO 144 HG2 -1.37 -0.03 0.00 -0.04 2.03 0.60 1cw1A1 PRO 144 HG3 -0.55 0.14 0.01 -0.04 2.03 1.58 1cw1A1 PRO 144 HD2 -0.30 0.21 -0.11 -0.04 3.68 3.44 1cw1A1 PRO 144 HD3 -0.24 0.27 -0.33 -0.04 3.65 3.31 1cw1A1 GLU 145 H -0.29 0.12 -0.31 -0.55 8.60 7.57 1cw1A1 GLU 145 HA 0.07 0.10 0.33 -0.75 4.29 4.04 1cw1A1 GLU 145 HB2 0.11 0.04 0.07 -0.04 2.09 2.27 1cw1A1 GLU 145 HB3 0.03 -0.02 0.04 -0.04 1.99 2.00 1cw1A1 GLU 145 HG2 0.02 0.06 -0.38 -0.04 2.34 2.00 1cw1A1 GLU 145 HG3 0.05 0.00 -0.07 -0.04 2.34 2.29 1cw1A1 LEU 146 H -0.02 0.33 -0.55 -0.55 8.37 7.58 1cw1A1 LEU 146 HA 0.01 0.10 0.51 -0.75 4.35 4.22 1cw1A1 LEU 146 HB2 0.01 0.15 0.01 -0.04 1.64 1.77 1cw1A1 LEU 146 HB3 0.01 -0.13 0.06 -0.04 1.64 1.53 1cw1A1 LEU 146 HG 0.01 -0.04 -0.03 -0.04 1.64 1.53 1cw1A1 LEU 146 HD13 -0.05 -0.01 0.01 -0.04 0.93 0.84 1cw1A1 LEU 146 HD23 -0.03 -0.00 -0.04 -0.04 0.89 0.78 1cw1A1 THR 147 H 0.01 0.47 -0.35 -0.55 8.28 7.86 1cw1A1 THR 147 HA 0.05 0.12 0.74 -0.75 4.39 4.54 1cw1A1 THR 147 HB 0.04 0.10 0.09 -0.04 4.32 4.52 1cw1A1 THR 147 HG23 0.05 0.00 -0.20 -0.04 1.22 1.04 1cw1A1 ASP 148 H 0.07 0.28 -0.04 -0.55 8.40 8.16 1cw1A1 ASP 148 HA 0.07 0.12 0.76 -0.75 4.63 4.82 1cw1A1 ASP 148 HB2 0.05 0.05 -0.19 -0.04 2.71 2.58 1cw1A1 ASP 148 HB3 0.05 0.02 0.16 -0.04 2.70 2.89 1cw1A1 MET 149 H 0.08 0.63 0.23 -0.55 8.47 8.86 1cw1A1 MET 149 HA 0.11 0.27 1.02 -0.75 4.52 5.16 1cw1A1 MET 149 HB2 0.09 -0.07 0.01 -0.04 2.15 2.14 1cw1A1 MET 149 HB3 0.13 -0.01 0.02 -0.04 2.03 2.12 1cw1A1 MET 149 HG2 0.16 0.18 -0.37 -0.04 2.63 2.56 1cw1A1 MET 149 HG3 0.11 -0.13 -0.26 -0.04 2.56 2.24 1cw1A1 MET 149 HE3 0.07 0.05 -0.01 -0.04 2.10 2.17 1cw1A1 VAL 150 H 0.10 0.60 0.26 -0.55 8.24 8.65 1cw1A1 VAL 150 HA -0.01 0.12 0.89 -0.75 4.13 4.37 1cw1A1 VAL 150 HB 0.08 -0.07 0.09 -0.04 2.12 2.17 1cw1A1 VAL 150 HG13 -0.45 -0.00 -0.20 -0.04 0.97 0.27 1cw1A1 VAL 150 HG23 0.18 0.02 -0.27 -0.04 0.95 0.85 1cw1A1 ILE 151 H -0.07 0.73 0.12 -0.55 8.25 8.47 1cw1A1 ILE 151 HA 0.04 0.11 0.95 -0.75 4.18 4.52 1cw1A1 ILE 151 HB -0.07 -0.01 0.18 -0.04 1.89 1.95 1cw1A1 ILE 151 HG12 0.02 0.26 0.01 -0.04 1.49 1.73 1cw1A1 ILE 151 HG13 0.03 -0.06 -0.10 -0.04 1.21 1.04 1cw1A1 ILE 151 HG23 -0.01 -0.03 -0.20 -0.04 0.93 0.65 1cw1A1 ILE 151 HD13 0.09 -0.02 -0.24 -0.04 0.88 0.67 1cw1A1 PHE 152 H 0.16 0.81 0.35 -0.55 8.34 9.10 1cw1A1 PHE 152 HA -0.08 0.19 0.86 -0.75 4.62 4.84 1cw1A1 PHE 152 HB2 -0.04 0.14 0.33 -0.04 3.15 3.55 1cw1A1 PHE 152 HB3 -0.01 -0.08 0.09 -0.04 3.06 3.03 1cw1A1 PHE 152 HD2 -0.09 0.02 -0.12 -0.04 7.28 7.04 1cw1A1 PHE 152 HE2 -0.42 0.01 -0.17 -0.04 7.38 6.76 1cw1A1 PHE 152 HZ -0.23 0.04 -0.12 -0.04 7.32 6.97 1cw1A1 ARG 153 H -0.10 0.84 0.19 -0.55 8.46 8.83 1cw1A1 ARG 153 HA -0.03 0.09 0.85 -0.75 4.34 4.50 1cw1A1 ARG 153 HB2 -0.08 -0.08 -0.07 -0.04 1.90 1.62 1cw1A1 ARG 153 HB3 -0.11 0.18 0.10 -0.04 1.80 1.93 1cw1A1 ARG 153 HG2 -0.15 0.11 -0.45 -0.04 1.67 1.13 1cw1A1 ARG 153 HG3 -0.16 -0.08 -0.11 -0.04 1.67 1.28 1cw1A1 ARG 153 HD2 -0.14 -0.08 -0.40 -0.04 3.22 2.56 1cw1A1 ARG 153 HD3 -0.15 0.05 -0.14 -0.04 3.22 2.94 1cw1A1 GLU 154 H -0.01 0.50 0.25 -0.55 8.60 8.79 1cw1A1 GLU 154 HA 0.11 0.24 0.57 -0.75 4.29 4.45 1cw1A1 GLU 154 HB2 0.11 0.18 0.21 -0.04 2.09 2.55 1cw1A1 GLU 154 HB3 -0.01 -0.35 0.19 -0.04 1.99 1.78 1cw1A1 GLU 154 HG2 0.17 0.22 0.09 -0.04 2.34 2.78 1cw1A1 GLU 154 HG3 0.18 -0.09 -0.04 -0.04 2.34 2.36 1cw1A1 ASN 155 H 0.07 0.56 0.30 -0.55 8.53 8.90 1cw1A1 ASN 155 HA -0.09 0.12 0.79 -0.75 4.76 4.82 1cw1A1 ASN 155 HB2 -0.03 0.05 -0.39 -0.04 2.88 2.47 1cw1A1 ASN 155 HB3 -0.02 0.15 -0.08 -0.04 2.79 2.80 1cw1A1 ASN 155 HD21 -0.11 -0.07 -0.08 -0.04 7.03 6.73 1cw1A1 ASN 155 HD22 -0.10 0.36 -0.12 -0.04 7.74 7.83 1cw1A1 SER 156 H 0.05 -0.06 0.00 -0.55 8.46 7.91 1cw1A1 SER 156 HA 0.03 0.36 1.02 -0.75 4.49 5.14 1cw1A1 SER 156 HB2 0.04 0.05 0.09 -0.04 3.95 4.09 1cw1A1 SER 156 HB3 0.08 0.07 -0.19 -0.04 3.93 3.85 1cw1A1 GLU 157 H 0.03 -0.03 -0.05 -0.55 8.60 8.00 1cw1A1 GLU 157 HA 0.04 0.31 0.88 -0.75 4.29 4.77 1cw1A1 GLU 157 HB2 0.06 -0.09 0.10 -0.04 2.09 2.12 1cw1A1 GLU 157 HB3 0.06 0.09 0.18 -0.04 1.99 2.27 1cw1A1 GLU 157 HG2 0.03 0.22 -0.20 -0.04 2.34 2.35 1cw1A1 GLU 157 HG3 0.04 -0.06 -0.28 -0.04 2.34 1.99 1cw1A1 ASP 158 H 0.05 0.55 0.30 -0.55 8.40 8.75 1cw1A1 ASP 158 HA 0.04 0.09 0.43 -0.75 4.63 4.42 1cw1A1 ASP 158 HB2 -0.01 -0.07 -0.20 -0.04 2.71 2.39 1cw1A1 ASP 158 HB3 0.07 0.06 0.31 -0.04 2.70 3.10 1cw1A1 ILE 159 H 0.03 0.09 0.20 -0.55 8.25 8.02 1cw1A1 ILE 159 HA -0.01 0.35 0.50 -0.75 4.18 4.28 1cw1A1 ILE 159 HB -0.05 0.07 0.03 -0.04 1.89 1.90 1cw1A1 ILE 159 HG12 -0.01 0.06 0.01 -0.04 1.49 1.51 1cw1A1 ILE 159 HG13 0.02 -0.18 0.16 -0.04 1.21 1.17 1cw1A1 ILE 159 HG23 0.00 0.01 -0.12 -0.04 0.93 0.79 1cw1A1 ILE 159 HD13 0.00 0.02 -0.13 -0.04 0.88 0.73 1cw1A1 TYR 160 H 0.16 -0.05 -0.56 -0.55 8.29 7.29 1cw1A1 TYR 160 HA -0.05 0.06 0.40 -0.75 4.56 4.22 1cw1A1 TYR 160 HB2 -0.05 -0.12 0.04 -0.04 3.06 2.89 1cw1A1 TYR 160 HB3 -0.04 0.16 -0.14 -0.04 2.98 2.92 1cw1A1 TYR 160 HD2 -0.07 -0.08 -0.05 -0.04 7.15 6.91 1cw1A1 TYR 160 HE2 -0.09 -0.02 -0.04 -0.04 6.85 6.66 1cw1A1 ALA 161 H 0.05 0.53 -0.47 -0.55 8.40 7.96 1cw1A1 ALA 161 HA 0.03 0.11 0.25 -0.75 4.34 3.98 1cw1A1 ALA 161 HB3 0.00 -0.02 0.00 -0.04 1.41 1.36 1cw1A1 GLY 162 H -0.07 0.25 -0.60 -0.55 8.43 7.47 1cw1A1 GLY 162 HA2 -0.13 -0.01 0.19 -0.51 4.01 3.54 1cw1A1 GLY 162 HA3 -0.10 0.10 0.38 -0.51 4.01 3.87 1cw1A1 ILE 163 H -0.13 0.11 -0.11 -0.55 8.25 7.56 1cw1A1 ILE 163 HA -0.36 0.19 0.76 -0.75 4.18 4.02 1cw1A1 ILE 163 HB -0.14 -0.05 0.18 -0.04 1.89 1.84 1cw1A1 ILE 163 HG12 -0.09 0.09 -0.13 -0.04 1.49 1.31 1cw1A1 ILE 163 HG13 -0.08 -0.03 -0.31 -0.04 1.21 0.75 1cw1A1 ILE 163 HG23 -0.27 -0.00 -0.11 -0.04 0.93 0.51 1cw1A1 ILE 163 HD13 -0.00 0.00 -0.07 -0.04 0.88 0.77 1cw1A1 GLU 164 H -0.77 0.40 0.22 -0.55 8.60 7.91 1cw1A1 GLU 164 HA -0.60 0.17 0.70 -0.75 4.29 3.81 1cw1A1 GLU 164 HB2 -0.14 -0.00 0.02 -0.04 2.09 1.93 1cw1A1 GLU 164 HB3 -0.19 -0.00 -0.06 -0.04 1.99 1.70 1cw1A1 GLU 164 HG2 -0.24 -0.04 -0.50 -0.04 2.34 1.52 1cw1A1 GLU 164 HG3 -0.26 0.02 -0.20 -0.04 2.34 1.85 1cw1A1 TRP 165 H 0.12 0.56 0.33 -0.55 7.97 8.43 1cw1A1 TRP 165 HA -0.00 0.14 0.84 -0.75 4.62 4.84 1cw1A1 TRP 165 HB2 0.01 -0.01 0.04 -0.04 3.23 3.23 1cw1A1 TRP 165 HB3 0.00 -0.12 0.02 -0.04 3.23 3.10 1cw1A1 TRP 165 HD1 -0.00 -0.05 0.02 -0.04 7.22 7.14 1cw1A1 TRP 165 HE1 -0.01 0.03 -0.05 -0.04 10.20 10.13 1cw1A1 TRP 165 HE3 0.01 0.01 -0.12 -0.04 7.59 7.45 1cw1A1 TRP 165 HZ2 -0.01 0.04 -0.09 -0.04 7.44 7.33 1cw1A1 TRP 165 HZ3 0.02 -0.00 -0.27 -0.04 7.13 6.84 1cw1A1 TRP 165 HH2 -0.00 0.01 -0.14 -0.04 7.19 7.02 1cw1A1 LYS 166 H 0.15 0.14 0.15 -0.55 8.42 8.31 1cw1A1 LYS 166 HA 0.07 0.05 0.49 -0.75 4.32 4.18 1cw1A1 LYS 166 HB2 0.05 0.03 0.12 -0.04 1.87 2.02 1cw1A1 LYS 166 HB3 0.08 -0.06 0.09 -0.04 1.79 1.86 1cw1A1 LYS 166 HG2 0.05 0.25 -0.11 -0.04 1.46 1.61 1cw1A1 LYS 166 HG3 0.03 -0.03 0.05 -0.04 1.46 1.47 1cw1A1 LYS 166 HD2 0.02 -0.02 0.01 -0.04 1.69 1.66 1cw1A1 LYS 166 HD3 0.04 -0.02 -0.03 -0.04 1.68 1.63 1cw1A1 LYS 166 HE2 0.02 0.00 -0.01 -0.04 2.99 2.96 1cw1A1 LYS 166 HE3 0.03 0.07 -0.02 -0.04 2.99 3.03 1cw1A1 ALA 167 H 0.07 0.11 0.11 -0.55 8.40 8.14 1cw1A1 ALA 167 HA 0.08 0.22 0.10 -0.75 4.34 3.98 1cw1A1 ALA 167 HB3 0.08 -0.02 -0.23 -0.04 1.41 1.20 1cw1A1 ASP 168 H 0.04 0.12 0.17 -0.55 8.40 8.18 1cw1A1 ASP 168 HA 0.01 0.00 0.36 -0.75 4.63 4.24 1cw1A1 ASP 168 HB2 0.07 0.28 0.00 -0.04 2.71 3.03 1cw1A1 ASP 168 HB3 0.06 0.01 0.17 -0.04 2.70 2.90 1cw1A1 SER 169 H 0.06 0.42 -0.35 -0.55 8.46 8.04 1cw1A1 SER 169 HA 0.04 0.17 0.62 -0.75 4.49 4.56 1cw1A1 SER 169 HB2 0.08 -0.03 0.14 -0.04 3.95 4.09 1cw1A1 SER 169 HB3 0.08 0.10 0.04 -0.04 3.93 4.12 1cw1A1 ALA 170 H 0.02 0.21 0.17 -0.55 8.40 8.26 1cw1A1 ALA 170 HA -0.02 0.13 0.35 -0.75 4.34 4.05 1cw1A1 ALA 170 HB3 -0.01 0.04 0.11 -0.04 1.41 1.51 1cw1A1 ASP 171 H 0.01 0.08 -0.15 -0.55 8.40 7.78 1cw1A1 ASP 171 HA -0.19 0.12 0.36 -0.75 4.63 4.18 1cw1A1 ASP 171 HB2 0.13 -0.07 0.10 -0.04 2.71 2.83 1cw1A1 ASP 171 HB3 -0.42 0.06 -0.04 -0.04 2.70 2.26 1cw1A1 ALA 172 H 0.02 0.10 -0.22 -0.55 8.40 7.75 1cw1A1 ALA 172 HA -0.07 0.02 0.32 -0.75 4.34 3.85 1cw1A1 ALA 172 HB3 0.10 0.05 -0.01 -0.04 1.41 1.51 1cw1A1 GLU 173 H -0.04 0.49 -0.27 -0.55 8.60 8.24 1cw1A1 GLU 173 HA -0.04 0.04 0.39 -0.75 4.29 3.93 1cw1A1 GLU 173 HB2 -0.04 0.12 0.10 -0.04 2.09 2.22 1cw1A1 GLU 173 HB3 -0.03 -0.01 0.04 -0.04 1.99 1.94 1cw1A1 GLU 173 HG2 -0.03 -0.07 0.02 -0.04 2.34 2.21 1cw1A1 GLU 173 HG3 -0.02 0.26 -0.05 -0.04 2.34 2.49 1cw1A1 LYS 174 H -0.12 0.47 -0.18 -0.55 8.42 8.04 1cw1A1 LYS 174 HA -0.06 0.02 0.41 -0.75 4.32 3.93 1cw1A1 LYS 174 HB2 -0.10 0.05 0.12 -0.04 1.87 1.90 1cw1A1 LYS 174 HB3 -0.22 0.09 0.19 -0.04 1.79 1.81 1cw1A1 LYS 174 HG2 -0.14 -0.02 -0.14 -0.04 1.46 1.12 1cw1A1 LYS 174 HG3 -0.07 -0.01 0.04 -0.04 1.46 1.37 1cw1A1 LYS 174 HD2 -0.09 -0.01 -0.03 -0.04 1.69 1.52 1cw1A1 LYS 174 HD3 -0.16 -0.02 -0.03 -0.04 1.68 1.43 1cw1A1 LYS 174 HE2 -0.13 -0.00 -0.04 -0.04 2.99 2.78 1cw1A1 LYS 174 HE3 -0.07 0.01 -0.02 -0.04 2.99 2.87 1cw1A1 VAL 175 H -0.29 0.60 -0.08 -0.55 8.24 7.92 1cw1A1 VAL 175 HA -0.18 0.03 0.42 -0.75 4.13 3.64 1cw1A1 VAL 175 HB -0.33 0.09 0.12 -0.04 2.12 1.96 1cw1A1 VAL 175 HG13 -0.14 -0.02 -0.14 -0.04 0.97 0.64 1cw1A1 VAL 175 HG23 -1.33 0.05 -0.03 -0.04 0.95 -0.41 1cw1A1 ILE 176 H -0.07 0.70 -0.01 -0.55 8.25 8.32 1cw1A1 ILE 176 HA 0.01 -0.04 0.35 -0.75 4.18 3.75 1cw1A1 ILE 176 HB -0.01 0.07 0.14 -0.04 1.89 2.04 1cw1A1 ILE 176 HG12 0.03 -0.08 -0.01 -0.04 1.49 1.39 1cw1A1 ILE 176 HG13 0.00 0.10 0.09 -0.04 1.21 1.36 1cw1A1 ILE 176 HG23 0.00 0.01 -0.06 -0.04 0.93 0.84 1cw1A1 ILE 176 HD13 0.03 0.03 -0.04 -0.04 0.88 0.85 1cw1A1 LYS 177 H -0.02 0.62 -0.21 -0.55 8.42 8.27 1cw1A1 LYS 177 HA -0.01 0.00 0.41 -0.75 4.32 3.97 1cw1A1 LYS 177 HB2 -0.01 0.07 0.14 -0.04 1.87 2.03 1cw1A1 LYS 177 HB3 0.01 0.09 0.17 -0.04 1.79 2.02 1cw1A1 LYS 177 HG2 0.01 -0.03 -0.14 -0.04 1.46 1.25 1cw1A1 LYS 177 HG3 -0.01 -0.03 0.05 -0.04 1.46 1.43 1cw1A1 LYS 177 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 1cw1A1 LYS 177 HD3 0.00 0.00 -0.01 -0.04 1.68 1.63 1cw1A1 LYS 177 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 1cw1A1 LYS 177 HE3 0.00 -0.00 -0.03 -0.04 2.99 2.92 1cw1A1 PHE 178 H 0.12 0.56 -0.15 -0.55 8.34 8.31 1cw1A1 PHE 178 HA -0.04 -0.02 0.40 -0.75 4.62 4.21 1cw1A1 PHE 178 HB2 -0.07 0.03 0.15 -0.04 3.15 3.21 1cw1A1 PHE 178 HB3 -0.09 0.15 0.25 -0.04 3.06 3.34 1cw1A1 PHE 178 HD2 -0.04 0.01 -0.04 -0.04 7.28 7.18 1cw1A1 PHE 178 HE2 -0.01 0.00 -0.05 -0.04 7.38 7.27 1cw1A1 PHE 178 HZ -0.01 0.02 -0.06 -0.04 7.32 7.22 1cw1A1 LEU 179 H 0.09 0.69 -0.05 -0.55 8.37 8.56 1cw1A1 LEU 179 HA -0.18 -0.02 0.37 -0.75 4.35 3.76 1cw1A1 LEU 179 HB2 0.02 0.13 0.15 -0.04 1.64 1.89 1cw1A1 LEU 179 HB3 0.01 -0.08 0.00 -0.04 1.64 1.53 1cw1A1 LEU 179 HG 0.14 0.21 -0.00 -0.04 1.64 1.94 1cw1A1 LEU 179 HD13 0.08 -0.03 -0.08 -0.04 0.93 0.86 1cw1A1 LEU 179 HD23 0.14 -0.02 -0.02 -0.04 0.89 0.95 1cw1A1 ARG 180 H -0.05 0.64 -0.07 -0.55 8.46 8.43 1cw1A1 ARG 180 HA -0.06 0.08 0.56 -0.75 4.34 4.17 1cw1A1 ARG 180 HB2 -0.03 0.02 0.16 -0.04 1.90 2.01 1cw1A1 ARG 180 HB3 -0.03 -0.00 0.04 -0.04 1.80 1.77 1cw1A1 ARG 180 HG2 -0.02 -0.04 0.00 -0.04 1.67 1.57 1cw1A1 ARG 180 HG3 -0.01 0.12 0.07 -0.04 1.67 1.80 1cw1A1 ARG 180 HD2 -0.02 0.06 0.02 -0.04 3.22 3.25 1cw1A1 ARG 180 HD3 -0.01 -0.06 -0.02 -0.04 3.22 3.09 1cw1A1 GLU 181 H -0.08 0.69 0.09 -0.55 8.60 8.75 1cw1A1 GLU 181 HA -0.06 0.13 0.68 -0.75 4.29 4.28 1cw1A1 GLU 181 HB2 -0.05 0.07 0.12 -0.04 2.09 2.18 1cw1A1 GLU 181 HB3 -0.04 -0.04 0.04 -0.04 1.99 1.91 1cw1A1 GLU 181 HG2 -0.03 -0.00 -0.01 -0.04 2.34 2.26 1cw1A1 GLU 181 HG3 -0.03 0.01 0.09 -0.04 2.34 2.37 1cw1A1 GLU 182 H -0.29 0.56 0.15 -0.55 8.60 8.47 1cw1A1 GLU 182 HA -0.16 0.17 0.89 -0.75 4.29 4.44 1cw1A1 GLU 182 HB2 -1.04 0.08 0.12 -0.04 2.09 1.21 1cw1A1 GLU 182 HB3 -0.29 -0.04 0.06 -0.04 1.99 1.68 1cw1A1 GLU 182 HG2 -0.09 -0.02 0.03 -0.04 2.34 2.21 1cw1A1 GLU 182 HG3 0.08 -0.04 0.02 -0.04 2.34 2.35 1cw1A1 MET 183 H -0.39 0.34 0.06 -0.55 8.47 7.94 1cw1A1 MET 183 HA -0.17 0.16 0.86 -0.75 4.52 4.61 1cw1A1 MET 183 HB2 -0.18 0.14 0.21 -0.04 2.15 2.28 1cw1A1 MET 183 HB3 -0.09 -0.07 0.13 -0.04 2.03 1.96 1cw1A1 MET 183 HG2 -0.81 0.01 -0.12 -0.04 2.63 1.67 1cw1A1 MET 183 HG3 -0.05 -0.08 -0.02 -0.04 2.56 2.38 1cw1A1 MET 183 HE3 -0.01 -0.01 0.04 -0.04 2.10 2.08 1cw1A1 GLY 184 H -0.13 0.09 -0.42 -0.55 8.43 7.42 1cw1A1 GLY 184 HA2 -0.06 0.22 0.29 -0.51 4.01 3.95 1cw1A1 GLY 184 HA3 -0.05 -0.01 0.30 -0.51 4.01 3.73 1cw1A1 VAL 185 H -0.07 0.53 -0.10 -0.55 8.24 8.06 1cw1A1 VAL 185 HA -0.01 0.01 0.49 -0.75 4.13 3.86 1cw1A1 VAL 185 HB -0.02 -0.03 -0.20 -0.04 2.12 1.83 1cw1A1 VAL 185 HG13 0.01 -0.04 -0.16 -0.04 0.97 0.73 1cw1A1 VAL 185 HG23 -0.01 0.03 -0.05 -0.04 0.95 0.88 1cw1A1 LYS 186 H -0.01 0.07 0.23 -0.55 8.42 8.16 1cw1A1 LYS 186 HA -0.02 0.26 0.90 -0.75 4.32 4.70 1cw1A1 LYS 186 HB2 -0.01 0.04 0.10 -0.04 1.87 1.95 1cw1A1 LYS 186 HB3 -0.02 -0.02 0.03 -0.04 1.79 1.73 1cw1A1 LYS 186 HG2 -0.02 -0.03 0.01 -0.04 1.46 1.38 1cw1A1 LYS 186 HG3 -0.02 -0.00 0.06 -0.04 1.46 1.45 1cw1A1 LYS 186 HD2 -0.02 -0.02 -0.10 -0.04 1.69 1.51 1cw1A1 LYS 186 HD3 -0.02 0.04 -0.65 -0.04 1.68 1.00 1cw1A1 LYS 186 HE2 -0.02 0.05 -0.01 -0.04 2.99 2.97 1cw1A1 LYS 186 HE3 -0.02 -0.01 0.02 -0.04 2.99 2.94 1cw1A1 LYS 187 H -0.01 0.01 0.03 -0.55 8.42 7.90 1cw1A1 LYS 187 HA -0.03 0.28 0.68 -0.75 4.32 4.50 1cw1A1 LYS 187 HB2 0.00 -0.03 0.10 -0.04 1.87 1.89 1cw1A1 LYS 187 HB3 -0.01 -0.01 0.17 -0.04 1.79 1.91 1cw1A1 LYS 187 HG2 -0.01 0.05 0.02 -0.04 1.46 1.47 1cw1A1 LYS 187 HG3 -0.01 -0.02 -0.07 -0.04 1.46 1.33 1cw1A1 LYS 187 HD2 0.01 -0.01 0.04 -0.04 1.69 1.68 1cw1A1 LYS 187 HD3 0.00 -0.02 0.04 -0.04 1.68 1.66 1cw1A1 LYS 187 HE2 -0.01 0.01 0.02 -0.04 2.99 2.97 1cw1A1 LYS 187 HE3 -0.00 0.03 0.01 -0.04 2.99 2.98 1cw1A1 ILE 188 H -0.02 0.18 -0.54 -0.55 8.25 7.33 1cw1A1 ILE 188 HA 0.00 0.07 0.64 -0.75 4.18 4.13 1cw1A1 ILE 188 HB -0.00 0.07 -0.00 -0.04 1.89 1.92 1cw1A1 ILE 188 HG12 0.03 0.01 -0.10 -0.04 1.49 1.39 1cw1A1 ILE 188 HG13 0.01 -0.09 -0.17 -0.04 1.21 0.92 1cw1A1 ILE 188 HG23 0.04 -0.02 -0.29 -0.04 0.93 0.62 1cw1A1 ILE 188 HD13 0.03 0.02 -0.06 -0.04 0.88 0.82 1cw1A1 ARG 189 H -0.06 0.20 0.04 -0.55 8.46 8.08 1cw1A1 ARG 189 HA -0.24 0.09 0.29 -0.75 4.34 3.73 1cw1A1 ARG 189 HB2 -0.16 0.02 0.10 -0.04 1.90 1.82 1cw1A1 ARG 189 HB3 -0.17 -0.06 0.09 -0.04 1.80 1.62 1cw1A1 ARG 189 HG2 -0.35 -0.03 -0.02 -0.04 1.67 1.24 1cw1A1 ARG 189 HG3 -1.60 0.02 -0.23 -0.04 1.67 -0.18 1cw1A1 ARG 189 HD2 -0.38 0.05 0.08 -0.04 3.22 2.92 1cw1A1 ARG 189 HD3 -0.22 -0.01 0.02 -0.04 3.22 2.97 1cw1A1 PHE 190 H 0.04 0.08 -0.25 -0.55 8.34 7.66 1cw1A1 PHE 190 HA 0.02 0.22 0.83 -0.75 4.62 4.94 1cw1A1 PHE 190 HB2 0.03 -0.04 0.11 -0.04 3.15 3.21 1cw1A1 PHE 190 HB3 0.04 0.06 0.04 -0.04 3.06 3.17 1cw1A1 PHE 190 HD2 0.03 -0.02 0.01 -0.04 7.28 7.26 1cw1A1 PHE 190 HE2 0.02 -0.01 -0.02 -0.04 7.38 7.33 1cw1A1 PHE 190 HZ 0.01 -0.01 -0.02 -0.04 7.32 7.26 1cw1A1 PRO 191 HA 0.05 0.06 0.46 -0.51 4.44 4.50 1cw1A1 PRO 191 HB2 0.01 -0.02 -0.04 -0.04 2.28 2.19 1cw1A1 PRO 191 HB3 0.01 0.05 0.02 -0.04 2.02 2.07 1cw1A1 PRO 191 HG2 0.04 -0.03 0.01 -0.04 2.03 2.01 1cw1A1 PRO 191 HG3 0.02 0.08 0.01 -0.04 2.03 2.10 1cw1A1 PRO 191 HD2 0.10 0.12 0.15 -0.04 3.68 4.01 1cw1A1 PRO 191 HD3 0.01 0.38 -0.16 -0.04 3.65 3.84 1cw1A1 GLU 192 H 0.08 0.12 -0.25 -0.55 8.60 8.00 1cw1A1 GLU 192 HA -0.14 0.08 0.70 -0.75 4.29 4.18 1cw1A1 GLU 192 HB2 -0.01 0.04 -0.02 -0.04 2.09 2.06 1cw1A1 GLU 192 HB3 -0.51 -0.02 0.00 -0.04 1.99 1.43 1cw1A1 GLU 192 HG2 -0.08 0.02 -0.07 -0.04 2.34 2.17 1cw1A1 GLU 192 HG3 0.01 -0.01 -0.03 -0.04 2.34 2.27 1cw1A1 HIS 193 H -0.36 0.10 0.14 -0.55 8.41 7.74 1cw1A1 HIS 193 HA 0.02 -0.08 0.25 -0.75 4.63 4.07 1cw1A1 HIS 193 HB2 -0.01 0.18 0.15 -0.04 3.26 3.54 1cw1A1 HIS 193 HB3 -0.00 -0.02 0.11 -0.04 3.20 3.25 1cw1A1 HIS 193 HD2 -0.02 0.08 -0.23 -0.04 6.97 6.75 1cw1A1 HIS 193 HE1 0.00 0.03 -0.01 -0.04 7.75 7.72 1cw1A1 CYS 194 H 0.04 0.06 -0.16 -0.55 8.50 7.89 1cw1A1 CYS 194 HA 0.09 0.15 0.87 -0.75 4.58 4.93 1cw1A1 CYS 194 HB2 0.09 0.26 -0.43 -0.04 2.97 2.86 1cw1A1 CYS 194 HB3 0.06 -0.00 -0.08 -0.04 2.97 2.90 1cw1A1 GLY 195 H 0.08 0.17 0.15 -0.55 8.43 8.28 1cw1A1 GLY 195 HA2 0.11 0.16 0.70 -0.51 4.01 4.48 1cw1A1 GLY 195 HA3 0.08 -0.02 0.35 -0.51 4.01 3.90 1cw1A1 ILE 196 H 0.21 0.42 0.28 -0.55 8.25 8.61 1cw1A1 ILE 196 HA 0.14 0.20 0.95 -0.75 4.18 4.71 1cw1A1 ILE 196 HB 0.43 -0.08 0.05 -0.04 1.89 2.25 1cw1A1 ILE 196 HG12 0.13 0.02 -0.53 -0.04 1.49 1.06 1cw1A1 ILE 196 HG13 0.10 -0.00 -0.10 -0.04 1.21 1.17 1cw1A1 ILE 196 HG23 0.27 -0.00 -0.18 -0.04 0.93 0.98 1cw1A1 ILE 196 HD13 0.10 0.04 -0.08 -0.04 0.88 0.90 1cw1A1 GLY 197 H 0.11 0.26 0.19 -0.55 8.43 8.44 1cw1A1 GLY 197 HA2 -0.05 0.28 1.10 -0.51 4.01 4.82 1cw1A1 GLY 197 HA3 0.00 -0.01 0.30 -0.51 4.01 3.79 1cw1A1 ILE 198 H -0.06 0.72 0.30 -0.55 8.25 8.67 1cw1A1 ILE 198 HA 0.10 0.14 0.92 -0.75 4.18 4.59 1cw1A1 ILE 198 HB 0.02 0.01 0.05 -0.04 1.89 1.93 1cw1A1 ILE 198 HG12 0.19 -0.01 -0.27 -0.04 1.49 1.37 1cw1A1 ILE 198 HG13 0.34 0.02 -0.13 -0.04 1.21 1.39 1cw1A1 ILE 198 HG23 0.11 -0.01 -0.21 -0.04 0.93 0.78 1cw1A1 ILE 198 HD13 0.31 0.03 -0.19 -0.04 0.88 0.99 1cw1A1 LYS 199 H 0.07 0.23 0.07 -0.55 8.42 8.23 1cw1A1 LYS 199 HA 0.04 0.16 0.70 -0.75 4.32 4.47 1cw1A1 LYS 199 HB2 0.04 0.03 -0.04 -0.04 1.87 1.86 1cw1A1 LYS 199 HB3 0.06 0.04 0.17 -0.04 1.79 2.02 1cw1A1 LYS 199 HG2 0.06 0.05 -0.20 -0.04 1.46 1.33 1cw1A1 LYS 199 HG3 0.03 -0.21 0.06 -0.04 1.46 1.30 1cw1A1 LYS 199 HD2 0.03 0.06 0.03 -0.04 1.69 1.77 1cw1A1 LYS 199 HD3 0.05 0.03 0.03 -0.04 1.68 1.74 1cw1A1 LYS 199 HE2 0.02 -0.08 0.06 -0.04 2.99 2.95 1cw1A1 LYS 199 HE3 0.03 0.00 -0.02 -0.04 2.99 2.96 1cw1A1 PRO 200 HA 0.10 0.21 0.84 -0.51 4.44 5.08 1cw1A1 PRO 200 HB2 0.07 0.02 -0.02 -0.04 2.28 2.30 1cw1A1 PRO 200 HB3 0.07 0.09 -0.03 -0.04 2.02 2.11 1cw1A1 PRO 200 HG2 0.05 -0.10 0.10 -0.04 2.03 2.04 1cw1A1 PRO 200 HG3 0.04 0.15 -0.01 -0.04 2.03 2.17 1cw1A1 PRO 200 HD2 0.04 0.01 0.05 -0.04 3.68 3.73 1cw1A1 PRO 200 HD3 0.04 0.34 -0.20 -0.04 3.65 3.79 1cw1A1 CYS 201 H 0.15 0.36 0.10 -0.55 8.50 8.56 1cw1A1 CYS 201 HA 0.16 0.02 0.64 -0.75 4.58 4.64 1cw1A1 CYS 201 HB2 0.16 -0.06 -0.10 -0.04 2.97 2.93 1cw1A1 CYS 201 HB3 0.24 0.06 0.19 -0.04 2.97 3.43 1cw1A1 SER 202 H 0.10 0.11 0.12 -0.55 8.46 8.24 1cw1A1 SER 202 HA 0.05 0.32 1.00 -0.75 4.49 5.10 1cw1A1 SER 202 HB2 -0.12 0.03 0.15 -0.04 3.95 3.97 1cw1A1 SER 202 HB3 -0.00 0.10 0.02 -0.04 3.93 4.01 1cw1A1 GLU 203 H -0.67 0.24 0.18 -0.55 8.60 7.81 1cw1A1 GLU 203 HA -2.00 0.12 0.41 -0.75 4.29 2.07 1cw1A1 GLU 203 HB2 -1.65 0.07 0.14 -0.04 2.09 0.60 1cw1A1 GLU 203 HB3 -0.67 -0.00 0.16 -0.04 1.99 1.44 1cw1A1 GLU 203 HG2 -0.60 0.02 -0.17 -0.04 2.34 1.55 1cw1A1 GLU 203 HG3 -1.61 -0.01 0.05 -0.04 2.34 0.73 1cw1A1 GLU 204 H -0.33 0.11 -0.00 -0.55 8.60 7.83 1cw1A1 GLU 204 HA -0.22 0.15 0.40 -0.75 4.29 3.87 1cw1A1 GLU 204 HB2 -0.17 0.04 0.09 -0.04 2.09 2.02 1cw1A1 GLU 204 HB3 -0.15 -0.04 0.04 -0.04 1.99 1.80 1cw1A1 GLU 204 HG2 -0.16 0.01 -0.13 -0.04 2.34 2.02 1cw1A1 GLU 204 HG3 -0.14 0.04 0.05 -0.04 2.34 2.25 1cw1A1 GLY 205 H -0.15 -0.04 -0.39 -0.55 8.43 7.30 1cw1A1 GLY 205 HA2 -0.10 0.15 0.37 -0.51 4.01 3.92 1cw1A1 GLY 205 HA3 -0.02 -0.05 0.24 -0.51 4.01 3.67 1cw1A1 THR 206 H -0.06 0.48 -0.13 -0.55 8.28 8.03 1cw1A1 THR 206 HA 0.18 -0.01 0.40 -0.75 4.39 4.20 1cw1A1 THR 206 HB 0.01 0.09 0.15 -0.04 4.32 4.52 1cw1A1 THR 206 HG23 -0.36 0.01 -0.13 -0.04 1.22 0.70 1cw1A1 LYS 207 H -0.17 0.68 -0.04 -0.55 8.42 8.34 1cw1A1 LYS 207 HA -0.07 0.03 0.31 -0.75 4.32 3.84 1cw1A1 LYS 207 HB2 -0.15 0.01 0.12 -0.04 1.87 1.81 1cw1A1 LYS 207 HB3 -0.07 0.02 -0.03 -0.04 1.79 1.67 1cw1A1 LYS 207 HG2 -0.26 0.08 0.11 -0.04 1.46 1.34 1cw1A1 LYS 207 HG3 -0.21 -0.06 -0.05 -0.04 1.46 1.10 1cw1A1 LYS 207 HD2 -0.03 0.03 -0.00 -0.04 1.69 1.64 1cw1A1 LYS 207 HD3 -0.02 0.01 -0.02 -0.04 1.68 1.61 1cw1A1 LYS 207 HE2 0.09 0.06 0.03 -0.04 2.99 3.13 1cw1A1 LYS 207 HE3 -0.03 -0.12 0.04 -0.04 2.99 2.84 1cw1A1 ARG 208 H -0.12 0.52 -0.15 -0.55 8.46 8.16 1cw1A1 ARG 208 HA -0.02 0.07 0.43 -0.75 4.34 4.06 1cw1A1 ARG 208 HB2 -0.37 0.01 0.06 -0.04 1.90 1.56 1cw1A1 ARG 208 HB3 -0.24 0.00 0.11 -0.04 1.80 1.63 1cw1A1 ARG 208 HG2 -0.24 0.15 0.18 -0.04 1.67 1.72 1cw1A1 ARG 208 HG3 -0.49 -0.01 -0.07 -0.04 1.67 1.06 1cw1A1 ARG 208 HD2 -1.33 0.02 -0.00 -0.04 3.22 1.87 1cw1A1 ARG 208 HD3 -0.41 -0.02 -0.02 -0.04 3.22 2.72 1cw1A1 LEU 209 H 0.04 0.34 -0.28 -0.55 8.37 7.93 1cw1A1 LEU 209 HA 0.30 0.08 0.37 -0.75 4.35 4.35 1cw1A1 LEU 209 HB2 0.22 0.01 0.14 -0.04 1.64 1.96 1cw1A1 LEU 209 HB3 0.19 0.06 0.18 -0.04 1.64 2.04 1cw1A1 LEU 209 HG 0.23 -0.15 -0.02 -0.04 1.64 1.66 1cw1A1 LEU 209 HD13 0.27 0.04 -0.22 -0.04 0.93 0.97 1cw1A1 LEU 209 HD23 0.25 0.03 -0.17 -0.04 0.89 0.95 1cw1A1 VAL 210 H -0.01 0.64 0.02 -0.55 8.24 8.34 1cw1A1 VAL 210 HA -0.09 -0.00 0.37 -0.75 4.13 3.66 1cw1A1 VAL 210 HB -0.11 0.07 0.06 -0.04 2.12 2.10 1cw1A1 VAL 210 HG13 -0.15 -0.00 -0.04 -0.04 0.97 0.73 1cw1A1 VAL 210 HG23 -0.31 0.01 0.00 -0.04 0.95 0.61 1cw1A1 ARG 211 H 0.01 0.62 -0.26 -0.55 8.46 8.28 1cw1A1 ARG 211 HA 0.08 0.01 0.36 -0.75 4.34 4.04 1cw1A1 ARG 211 HB2 0.09 0.04 0.08 -0.04 1.90 2.06 1cw1A1 ARG 211 HB3 0.08 0.08 0.13 -0.04 1.80 2.06 1cw1A1 ARG 211 HG2 0.16 0.01 -0.17 -0.04 1.67 1.64 1cw1A1 ARG 211 HG3 0.30 -0.01 -0.00 -0.04 1.67 1.92 1cw1A1 ARG 211 HD2 0.06 -0.01 -0.04 -0.04 3.22 3.20 1cw1A1 ARG 211 HD3 0.07 0.02 -0.04 -0.04 3.22 3.23 1cw1A1 ALA 212 H 0.06 0.46 -0.21 -0.55 8.40 8.17 1cw1A1 ALA 212 HA 0.05 0.04 0.36 -0.75 4.34 4.05 1cw1A1 ALA 212 HB3 0.20 0.04 0.08 -0.04 1.41 1.69 1cw1A1 ALA 213 H -0.32 0.36 -0.29 -0.55 8.40 7.60 1cw1A1 ALA 213 HA -1.88 0.04 0.36 -0.75 4.34 2.11 1cw1A1 ALA 213 HB3 -0.40 0.02 0.03 -0.04 1.41 1.01 1cw1A1 ILE 214 H -0.32 0.58 -0.09 -0.55 8.25 7.87 1cw1A1 ILE 214 HA -0.29 0.02 0.42 -0.75 4.18 3.58 1cw1A1 ILE 214 HB -0.87 0.08 0.09 -0.04 1.89 1.15 1cw1A1 ILE 214 HG12 -0.30 -0.05 -0.04 -0.04 1.49 1.06 1cw1A1 ILE 214 HG13 -0.30 0.16 0.04 -0.04 1.21 1.07 1cw1A1 ILE 214 HG23 -0.90 -0.00 -0.11 -0.04 0.93 -0.12 1cw1A1 ILE 214 HD13 -0.28 -0.01 -0.09 -0.04 0.88 0.46 1cw1A1 GLU 215 H -0.18 0.61 -0.12 -0.55 8.60 8.37 1cw1A1 GLU 215 HA -0.00 0.01 0.36 -0.75 4.29 3.91 1cw1A1 GLU 215 HB2 0.05 0.08 0.11 -0.04 2.09 2.29 1cw1A1 GLU 215 HB3 0.08 -0.02 0.00 -0.04 1.99 2.01 1cw1A1 GLU 215 HG2 0.23 0.10 0.06 -0.04 2.34 2.69 1cw1A1 GLU 215 HG3 0.16 -0.04 -0.04 -0.04 2.34 2.38 1cw1A1 TYR 216 H -0.03 0.44 -0.40 -0.55 8.29 7.75 1cw1A1 TYR 216 HA 0.05 0.03 0.40 -0.75 4.56 4.29 1cw1A1 TYR 216 HB2 0.11 0.08 0.07 -0.04 3.06 3.28 1cw1A1 TYR 216 HB3 -0.19 0.12 0.10 -0.04 2.98 2.97 1cw1A1 TYR 216 HD2 0.21 0.01 -0.22 -0.04 7.15 7.11 1cw1A1 TYR 216 HE2 0.13 0.01 -0.12 -0.04 6.85 6.83 1cw1A1 ALA 217 H 0.00 0.49 -0.15 -0.55 8.40 8.20 1cw1A1 ALA 217 HA 0.08 -0.03 0.36 -0.75 4.34 4.00 1cw1A1 ALA 217 HB3 -0.04 0.04 0.01 -0.04 1.41 1.38 1cw1A1 ILE 218 H -0.06 0.51 -0.29 -0.55 8.25 7.86 1cw1A1 ILE 218 HA -0.02 0.01 0.46 -0.75 4.18 3.88 1cw1A1 ILE 218 HB -0.00 0.12 0.19 -0.04 1.89 2.16 1cw1A1 ILE 218 HG12 0.01 -0.06 0.02 -0.04 1.49 1.41 1cw1A1 ILE 218 HG13 -0.08 0.11 0.00 -0.04 1.21 1.20 1cw1A1 ILE 218 HG23 0.03 -0.04 -0.09 -0.04 0.93 0.80 1cw1A1 ILE 218 HD13 0.11 -0.01 -0.04 -0.04 0.88 0.89 1cw1A1 ALA 219 H -0.05 0.70 0.05 -0.55 8.40 8.56 1cw1A1 ALA 219 HA -0.03 -0.02 0.36 -0.75 4.34 3.90 1cw1A1 ALA 219 HB3 -0.07 -0.00 0.11 -0.04 1.41 1.40 1cw1A1 ASN 220 H -0.16 0.40 -0.50 -0.55 8.53 7.72 1cw1A1 ASN 220 HA -0.10 0.18 0.89 -0.75 4.76 4.97 1cw1A1 ASN 220 HB2 -0.30 0.03 -0.01 -0.04 2.88 2.56 1cw1A1 ASN 220 HB3 -0.13 -0.05 0.08 -0.04 2.79 2.65 1cw1A1 ASN 220 HD21 -1.00 -0.08 -0.08 -0.04 7.03 5.83 1cw1A1 ASN 220 HD22 -1.32 0.41 0.03 -0.04 7.74 6.83 1cw1A1 ASP 221 H -0.05 0.39 -0.31 -0.55 8.40 7.89 1cw1A1 ASP 221 HA -0.01 0.01 0.38 -0.75 4.63 4.25 1cw1A1 ASP 221 HB2 -0.01 -0.01 -0.10 -0.04 2.71 2.54 1cw1A1 ASP 221 HB3 -0.01 0.09 -0.02 -0.04 2.70 2.72 1cw1A1 ARG 222 H -0.00 0.47 -0.01 -0.55 8.46 8.37 1cw1A1 ARG 222 HA 0.03 0.12 0.55 -0.75 4.34 4.29 1cw1A1 ARG 222 HB2 0.06 -0.08 0.04 -0.04 1.90 1.88 1cw1A1 ARG 222 HB3 0.08 -0.11 0.11 -0.04 1.80 1.83 1cw1A1 ARG 222 HG2 0.04 0.04 -0.14 -0.04 1.67 1.57 1cw1A1 ARG 222 HG3 0.25 -0.07 -0.09 -0.04 1.67 1.71 1cw1A1 ARG 222 HD2 0.06 0.13 -0.15 -0.04 3.22 3.22 1cw1A1 ARG 222 HD3 0.10 0.02 -0.10 -0.04 3.22 3.20 1cw1A1 ASP 223 H 0.02 0.12 0.17 -0.55 8.40 8.17 1cw1A1 ASP 223 HA -0.00 0.17 0.50 -0.75 4.63 4.54 1cw1A1 ASP 223 HB2 -0.01 0.01 0.06 -0.04 2.71 2.73 1cw1A1 ASP 223 HB3 -0.01 -0.02 0.08 -0.04 2.70 2.71 1cw1A1 SER 224 H -0.00 0.12 0.08 -0.55 8.46 8.11 1cw1A1 SER 224 HA -0.06 0.19 0.58 -0.75 4.49 4.45 1cw1A1 SER 224 HB2 -0.14 0.04 0.06 -0.04 3.95 3.87 1cw1A1 SER 224 HB3 -0.10 0.09 -0.11 -0.04 3.93 3.77 1cw1A1 VAL 225 H -0.10 0.74 0.34 -0.55 8.24 8.66 1cw1A1 VAL 225 HA -0.05 0.26 0.84 -0.75 4.13 4.43 1cw1A1 VAL 225 HB -0.13 -0.02 0.12 -0.04 2.12 2.04 1cw1A1 VAL 225 HG13 -0.13 -0.03 -0.23 -0.04 0.97 0.53 1cw1A1 VAL 225 HG23 -0.12 0.01 -0.24 -0.04 0.95 0.56 1cw1A1 THR 226 H -0.04 0.69 0.29 -0.55 8.28 8.67 1cw1A1 THR 226 HA -0.13 0.24 0.98 -0.75 4.39 4.73 1cw1A1 THR 226 HB -0.07 -0.04 0.07 -0.04 4.32 4.24 1cw1A1 THR 226 HG23 -0.05 -0.03 -0.36 -0.04 1.22 0.75 1cw1A1 LEU 227 H -0.15 0.80 0.39 -0.55 8.37 8.87 1cw1A1 LEU 227 HA 0.03 0.29 0.84 -0.75 4.35 4.76 1cw1A1 LEU 227 HB2 -0.18 -0.05 0.26 -0.04 1.64 1.63 1cw1A1 LEU 227 HB3 -0.01 -0.09 0.06 -0.04 1.64 1.55 1cw1A1 LEU 227 HG -0.29 0.09 -0.02 -0.04 1.64 1.38 1cw1A1 LEU 227 HD13 -0.76 0.01 -0.06 -0.04 0.93 0.08 1cw1A1 LEU 227 HD23 -0.23 0.00 -0.03 -0.04 0.89 0.59 1cw1A1 VAL 228 H -0.02 0.58 0.34 -0.55 8.24 8.59 1cw1A1 VAL 228 HA -0.11 0.30 0.99 -0.75 4.13 4.55 1cw1A1 VAL 228 HB -0.26 -0.05 0.06 -0.04 2.12 1.82 1cw1A1 VAL 228 HG13 -0.22 -0.01 -0.13 -0.04 0.97 0.57 1cw1A1 VAL 228 HG23 -1.00 0.06 -0.17 -0.04 0.95 -0.21 1cw1A1 HIS 229 H -0.26 0.52 0.38 -0.55 8.41 8.50 1cw1A1 HIS 229 HA -0.08 0.08 0.80 -0.75 4.63 4.67 1cw1A1 HIS 229 HB2 0.02 -0.12 0.01 -0.04 3.26 3.13 1cw1A1 HIS 229 HB3 0.08 0.19 -0.31 -0.04 3.20 3.12 1cw1A1 HIS 229 HD2 0.02 0.28 -0.19 -0.04 6.97 7.03 1cw1A1 HIS 229 HE1 0.05 0.07 -0.13 -0.04 7.75 7.70 1cw1A1 MET 230 H 0.05 0.19 0.11 -0.55 8.47 8.27 1cw1A1 MET 230 HA -0.10 0.16 0.87 -0.75 4.52 4.69 1cw1A1 MET 230 HB2 -0.02 0.01 0.07 -0.04 2.15 2.17 1cw1A1 MET 230 HB3 -0.00 -0.01 0.27 -0.04 2.03 2.25 1cw1A1 MET 230 HG2 -0.00 0.11 0.07 -0.04 2.63 2.76 1cw1A1 MET 230 HG3 -0.01 -0.00 0.14 -0.04 2.56 2.64 1cw1A1 MET 230 HE3 -0.01 0.04 0.04 -0.04 2.10 2.13 1cw1A1 GLY 231 H 0.44 0.28 -0.29 -0.55 8.43 8.31 1cw1A1 GLY 231 HA2 0.08 0.09 0.15 -0.51 4.01 3.82 1cw1A1 GLY 231 HA3 0.25 0.17 0.16 -0.51 4.01 4.08 1cw1A1 ASN 232 H 0.04 -0.00 -0.40 -0.55 8.53 7.61 1cw1A1 ASN 232 HA 0.01 0.20 0.51 -0.75 4.76 4.73 1cw1A1 ASN 232 HB2 0.01 0.11 0.04 -0.04 2.88 3.00 1cw1A1 ASN 232 HB3 0.03 0.03 0.04 -0.04 2.79 2.85 1cw1A1 ASN 232 HD21 -0.01 -0.04 -0.02 -0.04 7.03 6.92 1cw1A1 ASN 232 HD22 0.00 0.10 -0.04 -0.04 7.74 7.76 1cw1A1 ILE 233 H -0.01 0.12 -0.23 -0.55 8.25 7.58 1cw1A1 ILE 233 HA -0.03 0.28 0.88 -0.75 4.18 4.55 1cw1A1 ILE 233 HB -0.01 -0.06 0.13 -0.04 1.89 1.91 1cw1A1 ILE 233 HG12 -0.01 -0.16 -0.10 -0.04 1.49 1.18 1cw1A1 ILE 233 HG13 -0.00 0.01 -0.00 -0.04 1.21 1.17 1cw1A1 ILE 233 HG23 -0.01 0.01 -0.05 -0.04 0.93 0.84 1cw1A1 ILE 233 HD13 -0.01 0.07 -0.12 -0.04 0.88 0.79 1cw1A1 MET 234 H -0.02 0.51 0.18 -0.55 8.47 8.60 1cw1A1 MET 234 HA -0.07 0.25 0.89 -0.75 4.52 4.84 1cw1A1 MET 234 HB2 0.00 -0.06 0.25 -0.04 2.15 2.30 1cw1A1 MET 234 HB3 0.01 -0.15 0.17 -0.04 2.03 2.02 1cw1A1 MET 234 HG2 0.01 0.12 0.03 -0.04 2.63 2.74 1cw1A1 MET 234 HG3 -0.00 0.03 -0.14 -0.04 2.56 2.40 1cw1A1 MET 234 HE3 0.00 0.01 0.07 -0.04 2.10 2.14 1cw1A1 LYS 235 H -0.26 0.40 -0.11 -0.55 8.42 7.90 1cw1A1 LYS 235 HA -0.14 0.11 0.47 -0.75 4.32 4.00 1cw1A1 LYS 235 HB2 -1.01 -0.00 0.07 -0.04 1.87 0.89 1cw1A1 LYS 235 HB3 -0.37 0.06 0.02 -0.04 1.79 1.46 1cw1A1 LYS 235 HG2 -0.15 0.19 -0.04 -0.04 1.46 1.42 1cw1A1 LYS 235 HG3 -0.24 0.00 -0.13 -0.04 1.46 1.05 1cw1A1 LYS 235 HD2 -0.32 -0.01 0.01 -0.04 1.69 1.32 1cw1A1 LYS 235 HD3 -0.18 0.00 -0.00 -0.04 1.68 1.46 1cw1A1 LYS 235 HE2 -0.08 0.03 0.00 -0.04 2.99 2.90 1cw1A1 LYS 235 HE3 -0.11 0.04 -0.01 -0.04 2.99 2.88 1cw1A1 PHE 236 H -0.33 0.13 -0.08 -0.55 8.34 7.51 1cw1A1 PHE 236 HA -0.07 0.23 0.63 -0.75 4.62 4.65 1cw1A1 PHE 236 HB2 0.02 -0.00 0.06 -0.04 3.15 3.18 1cw1A1 PHE 236 HB3 0.02 0.08 0.14 -0.04 3.06 3.25 1cw1A1 PHE 236 HD2 -0.02 0.03 -0.07 -0.04 7.28 7.18 1cw1A1 PHE 236 HE2 -0.01 0.06 -0.02 -0.04 7.38 7.36 1cw1A1 PHE 236 HZ -0.00 0.06 -0.01 -0.04 7.32 7.33 1cw1A1 THR 237 H 0.05 0.02 -0.39 -0.55 8.28 7.41 1cw1A1 THR 237 HA 0.16 0.33 0.93 -0.75 4.39 5.05 1cw1A1 THR 237 HB 0.09 -0.02 -0.03 -0.04 4.32 4.33 1cw1A1 THR 237 HG23 0.13 0.04 -0.10 -0.04 1.22 1.25 1cw1A1 GLU 238 H 0.04 0.17 0.14 -0.55 8.60 8.41 1cw1A1 GLU 238 HA 0.07 0.07 0.35 -0.75 4.29 4.02 1cw1A1 GLU 238 HB2 0.05 0.29 -0.07 -0.04 2.09 2.33 1cw1A1 GLU 238 HB3 0.10 -0.41 0.01 -0.04 1.99 1.64 1cw1A1 GLU 238 HG2 0.01 0.00 0.13 -0.04 2.34 2.44 1cw1A1 GLU 238 HG3 0.01 0.10 0.11 -0.04 2.34 2.52 1cw1A1 GLY 239 H 0.01 0.52 0.01 -0.55 8.43 8.42 1cw1A1 GLY 239 HA2 -0.03 -0.04 0.53 -0.51 4.01 3.96 1cw1A1 GLY 239 HA3 -0.05 0.23 0.40 -0.51 4.01 4.09 1cw1A1 ALA 240 H -0.09 0.09 -0.44 -0.55 8.40 7.41 1cw1A1 ALA 240 HA -0.59 0.08 0.40 -0.75 4.34 3.47 1cw1A1 ALA 240 HB3 -0.82 0.04 -0.04 -0.04 1.41 0.55 1cw1A1 PHE 241 H 0.13 0.41 -0.31 -0.55 8.34 8.01 1cw1A1 PHE 241 HA 0.29 0.01 0.30 -0.75 4.62 4.47 1cw1A1 PHE 241 HB2 0.11 -0.03 0.06 -0.04 3.15 3.26 1cw1A1 PHE 241 HB3 0.02 0.14 0.15 -0.04 3.06 3.33 1cw1A1 PHE 241 HD2 0.05 -0.01 -0.14 -0.04 7.28 7.14 1cw1A1 PHE 241 HE2 0.01 0.12 -0.11 -0.04 7.38 7.36 1cw1A1 PHE 241 HZ 0.01 0.08 -0.30 -0.04 7.32 7.07 1cw1A1 LYS 242 H 0.03 0.33 -0.23 -0.55 8.42 8.00 1cw1A1 LYS 242 HA -0.18 0.05 0.37 -0.75 4.32 3.80 1cw1A1 LYS 242 HB2 -0.66 -0.09 0.04 -0.04 1.87 1.13 1cw1A1 LYS 242 HB3 -0.33 0.13 0.13 -0.04 1.79 1.69 1cw1A1 LYS 242 HG2 -0.10 0.03 -0.19 -0.04 1.46 1.15 1cw1A1 LYS 242 HG3 -0.32 0.01 -0.04 -0.04 1.46 1.06 1cw1A1 LYS 242 HD2 0.13 0.04 -0.10 -0.04 1.69 1.72 1cw1A1 LYS 242 HD3 -0.56 -0.13 -0.07 -0.04 1.68 0.88 1cw1A1 LYS 242 HE2 -0.13 0.08 -0.02 -0.04 2.99 2.88 1cw1A1 LYS 242 HE3 0.09 0.03 -0.19 -0.04 2.99 2.88 1cw1A1 ASP 243 H -0.17 0.51 -0.15 -0.55 8.40 8.04 1cw1A1 ASP 243 HA 0.04 0.05 0.40 -0.75 4.63 4.36 1cw1A1 ASP 243 HB2 -0.44 0.05 0.20 -0.04 2.71 2.48 1cw1A1 ASP 243 HB3 -0.22 -0.01 -0.01 -0.04 2.70 2.42 1cw1A1 TRP 244 H -0.15 0.75 -0.06 -0.55 7.97 7.97 1cw1A1 TRP 244 HA -0.02 0.02 0.40 -0.75 4.62 4.26 1cw1A1 TRP 244 HB2 -0.12 0.07 0.08 -0.04 3.23 3.22 1cw1A1 TRP 244 HB3 -0.09 -0.04 0.00 -0.04 3.23 3.06 1cw1A1 TRP 244 HD1 -0.00 0.03 -0.01 -0.04 7.22 7.19 1cw1A1 TRP 244 HE1 0.01 0.03 -0.00 -0.04 10.20 10.20 1cw1A1 TRP 244 HE3 0.02 -0.01 -0.31 -0.04 7.59 7.25 1cw1A1 TRP 244 HZ2 0.02 0.04 0.02 -0.04 7.44 7.48 1cw1A1 TRP 244 HZ3 0.08 0.01 -0.46 -0.04 7.13 6.72 1cw1A1 TRP 244 HH2 0.05 0.10 0.03 -0.04 7.19 7.33 1cw1A1 GLY 245 H -0.11 0.46 -0.35 -0.55 8.43 7.88 1cw1A1 GLY 245 HA2 -0.15 -0.00 0.37 -0.51 4.01 3.72 1cw1A1 GLY 245 HA3 -0.29 0.06 0.27 -0.51 4.01 3.54 1cw1A1 TYR 246 H -0.00 0.56 -0.08 -0.55 8.29 8.22 1cw1A1 TYR 246 HA -0.00 0.05 0.42 -0.75 4.56 4.28 1cw1A1 TYR 246 HB2 -0.01 0.09 0.17 -0.04 3.06 3.27 1cw1A1 TYR 246 HB3 0.02 0.00 -0.05 -0.04 2.98 2.90 1cw1A1 TYR 246 HD2 -0.00 -0.03 -0.05 -0.04 7.15 7.02 1cw1A1 TYR 246 HE2 0.05 -0.01 -0.14 -0.04 6.85 6.71 1cw1A1 GLN 247 H 0.16 0.59 -0.10 -0.55 8.47 8.57 1cw1A1 GLN 247 HA 0.11 0.03 0.38 -0.75 4.36 4.12 1cw1A1 GLN 247 HB2 0.15 0.05 0.09 -0.04 2.15 2.40 1cw1A1 GLN 247 HB3 0.20 0.04 0.14 -0.04 2.02 2.36 1cw1A1 GLN 247 HG2 0.10 -0.01 -0.15 -0.04 2.40 2.30 1cw1A1 GLN 247 HG3 0.09 -0.00 0.04 -0.04 2.39 2.48 1cw1A1 GLN 247 HE21 0.13 -0.03 -0.02 -0.04 6.97 7.01 1cw1A1 GLN 247 HE22 0.09 0.02 -0.01 -0.04 7.69 7.75 1cw1A1 LEU 248 H 0.10 0.62 -0.23 -0.55 8.37 8.31 1cw1A1 LEU 248 HA 0.08 -0.02 0.36 -0.75 4.35 4.01 1cw1A1 LEU 248 HB2 0.04 -0.04 0.10 -0.04 1.64 1.71 1cw1A1 LEU 248 HB3 0.04 0.16 0.11 -0.04 1.64 1.90 1cw1A1 LEU 248 HG 0.25 -0.02 -0.23 -0.04 1.64 1.60 1cw1A1 LEU 248 HD13 0.06 -0.02 -0.01 -0.04 0.93 0.91 1cw1A1 LEU 248 HD23 0.08 0.00 -0.16 -0.04 0.89 0.77 1cw1A1 ALA 249 H 0.10 0.46 -0.25 -0.55 8.40 8.16 1cw1A1 ALA 249 HA 0.22 0.01 0.35 -0.75 4.34 4.17 1cw1A1 ALA 249 HB3 0.09 0.05 0.07 -0.04 1.41 1.58 1cw1A1 ARG 250 H 0.12 0.47 -0.23 -0.55 8.46 8.27 1cw1A1 ARG 250 HA 0.08 0.01 0.53 -0.75 4.34 4.22 1cw1A1 ARG 250 HB2 0.07 0.02 0.15 -0.04 1.90 2.10 1cw1A1 ARG 250 HB3 0.05 0.01 0.03 -0.04 1.80 1.85 1cw1A1 ARG 250 HG2 0.07 0.02 -0.09 -0.04 1.67 1.63 1cw1A1 ARG 250 HG3 0.11 0.27 -0.00 -0.04 1.67 2.00 1cw1A1 ARG 250 HD2 0.03 0.01 -0.06 -0.04 3.22 3.16 1cw1A1 ARG 250 HD3 0.02 -0.04 -0.12 -0.04 3.22 3.04 1cw1A1 GLU 251 H 0.07 0.68 0.09 -0.55 8.60 8.89 1cw1A1 GLU 251 HA 0.01 0.07 0.45 -0.75 4.29 4.08 1cw1A1 GLU 251 HB2 0.03 0.01 0.09 -0.04 2.09 2.17 1cw1A1 GLU 251 HB3 0.00 -0.05 0.07 -0.04 1.99 1.98 1cw1A1 GLU 251 HG2 0.03 -0.02 0.01 -0.04 2.34 2.32 1cw1A1 GLU 251 HG3 0.06 0.19 0.12 -0.04 2.34 2.66 1cw1A1 GLU 252 H 0.05 0.54 -0.08 -0.55 8.60 8.56 1cw1A1 GLU 252 HA -0.18 0.24 1.11 -0.75 4.29 4.70 1cw1A1 GLU 252 HB2 -0.12 0.10 0.03 -0.04 2.09 2.05 1cw1A1 GLU 252 HB3 -0.60 -0.01 0.05 -0.04 1.99 1.38 1cw1A1 GLU 252 HG2 -0.12 0.05 -0.09 -0.04 2.34 2.13 1cw1A1 GLU 252 HG3 -0.04 -0.08 -0.14 -0.04 2.34 2.04 1cw1A1 PHE 253 H 0.14 0.27 -0.06 -0.55 8.34 8.13 1cw1A1 PHE 253 HA 0.00 0.22 0.92 -0.75 4.62 5.02 1cw1A1 PHE 253 HB2 0.01 0.04 0.13 -0.04 3.15 3.29 1cw1A1 PHE 253 HB3 0.00 -0.01 0.16 -0.04 3.06 3.18 1cw1A1 PHE 253 HD2 -0.01 0.04 -0.09 -0.04 7.28 7.18 1cw1A1 PHE 253 HE2 -0.01 -0.04 -0.08 -0.04 7.38 7.20 1cw1A1 PHE 253 HZ -0.01 -0.00 -0.03 -0.04 7.32 7.24 1cw1A1 GLY 254 H 0.04 0.14 -0.13 -0.55 8.43 7.94 1cw1A1 GLY 254 HA2 0.04 0.08 0.34 -0.51 4.01 3.95 1cw1A1 GLY 254 HA3 0.05 -0.02 0.37 -0.51 4.01 3.90 1cw1A1 GLY 255 H 0.11 0.33 -0.05 -0.55 8.43 8.27 1cw1A1 GLY 255 HA2 0.08 0.24 0.38 -0.51 4.01 4.20 1cw1A1 GLY 255 HA3 0.09 -0.12 0.04 -0.51 4.01 3.51 1cw1A1 GLU 256 H 0.06 0.56 0.43 -0.55 8.60 9.10 1cw1A1 GLU 256 HA 0.04 0.14 0.92 -0.75 4.29 4.63 1cw1A1 GLU 256 HB2 0.04 -0.03 0.10 -0.04 2.09 2.16 1cw1A1 GLU 256 HB3 0.03 -0.03 0.08 -0.04 1.99 2.03 1cw1A1 GLU 256 HG2 0.03 -0.01 -0.04 -0.04 2.34 2.28 1cw1A1 GLU 256 HG3 0.04 0.27 0.02 -0.04 2.34 2.63 1cw1A1 LEU 257 H 0.02 0.11 0.13 -0.55 8.37 8.09 1cw1A1 LEU 257 HA 0.04 0.16 0.50 -0.75 4.35 4.29 1cw1A1 LEU 257 HB2 0.00 -0.03 0.05 -0.04 1.64 1.62 1cw1A1 LEU 257 HB3 0.01 -0.02 0.06 -0.04 1.64 1.65 1cw1A1 LEU 257 HG -0.00 0.08 -0.49 -0.04 1.64 1.19 1cw1A1 LEU 257 HD13 -0.03 0.01 -0.13 -0.04 0.93 0.73 1cw1A1 LEU 257 HD23 -0.02 -0.01 -0.18 -0.04 0.89 0.65 1cw1A1 ILE 258 H 0.08 0.76 0.26 -0.55 8.25 8.81 1cw1A1 ILE 258 HA 0.05 0.11 0.71 -0.75 4.18 4.30 1cw1A1 ILE 258 HB 0.20 -0.03 -0.02 -0.04 1.89 2.00 1cw1A1 ILE 258 HG12 0.11 0.01 -0.16 -0.04 1.49 1.41 1cw1A1 ILE 258 HG13 0.14 0.02 -0.36 -0.04 1.21 0.96 1cw1A1 ILE 258 HG23 0.10 -0.02 -0.16 -0.04 0.93 0.81 1cw1A1 ILE 258 HD13 0.24 -0.01 -0.20 -0.04 0.88 0.87 1cw1A1 ASP 259 H 0.01 0.16 0.11 -0.55 8.40 8.14 1cw1A1 ASP 259 HA -0.02 0.04 0.34 -0.75 4.63 4.24 1cw1A1 ASP 259 HB2 -0.05 0.01 -0.05 -0.04 2.71 2.58 1cw1A1 ASP 259 HB3 -0.09 0.14 0.00 -0.04 2.70 2.71 1cw1A1 GLY 260 H -0.08 0.15 0.22 -0.55 8.43 8.18 1cw1A1 GLY 260 HA2 -0.04 0.16 0.73 -0.51 4.01 4.36 1cw1A1 GLY 260 HA3 -0.05 -0.04 0.36 -0.51 4.01 3.77 1cw1A1 GLY 261 H -0.06 0.53 -0.13 -0.55 8.43 8.23 1cw1A1 GLY 261 HA2 -0.04 0.11 0.28 -0.51 4.01 3.85 1cw1A1 GLY 261 HA3 -0.06 0.13 0.63 -0.51 4.01 4.19 1cw1A1 PRO 262 HA -0.10 0.10 0.35 -0.51 4.44 4.28 1cw1A1 PRO 262 HB2 -0.21 0.00 0.06 -0.04 2.28 2.09 1cw1A1 PRO 262 HB3 -0.06 0.03 0.08 -0.04 2.02 2.03 1cw1A1 PRO 262 HG2 0.40 0.01 -0.00 -0.04 2.03 2.39 1cw1A1 PRO 262 HG3 0.14 -0.02 0.06 -0.04 2.03 2.17 1cw1A1 PRO 262 HD2 -0.22 0.07 0.34 -0.04 3.68 3.83 1cw1A1 PRO 262 HD3 -0.06 0.11 0.18 -0.04 3.65 3.83 1cw1A1 TRP 263 H 0.11 0.11 -0.07 -0.55 7.97 7.58 1cw1A1 TRP 263 HA 0.13 0.18 0.63 -0.75 4.62 4.80 1cw1A1 TRP 263 HB2 0.03 -0.04 0.08 -0.04 3.23 3.26 1cw1A1 TRP 263 HB3 0.07 0.13 0.11 -0.04 3.23 3.49 1cw1A1 TRP 263 HD1 0.14 -0.08 -0.04 -0.04 7.22 7.19 1cw1A1 TRP 263 HE1 0.12 0.01 0.10 -0.04 10.20 10.39 1cw1A1 TRP 263 HE3 0.03 0.03 -0.03 -0.04 7.59 7.58 1cw1A1 TRP 263 HZ2 0.08 -0.02 0.01 -0.04 7.44 7.47 1cw1A1 TRP 263 HZ3 0.01 0.03 -0.02 -0.04 7.13 7.11 1cw1A1 TRP 263 HH2 0.02 0.01 -0.01 -0.04 7.19 7.17 1cw1A1 LEU 264 H 0.26 0.61 0.47 -0.55 8.37 9.16 1cw1A1 LEU 264 HA 0.11 0.29 0.96 -0.75 4.35 4.96 1cw1A1 LEU 264 HB2 0.22 -0.06 0.11 -0.04 1.64 1.87 1cw1A1 LEU 264 HB3 0.12 0.01 -0.07 -0.04 1.64 1.66 1cw1A1 LEU 264 HG 0.07 0.02 -0.34 -0.04 1.64 1.34 1cw1A1 LEU 264 HD13 -0.05 0.06 -0.29 -0.04 0.93 0.60 1cw1A1 LEU 264 HD23 0.25 -0.03 -0.08 -0.04 0.89 0.98 1cw1A1 LYS 265 H 0.08 0.55 0.33 -0.55 8.42 8.83 1cw1A1 LYS 265 HA 0.06 0.34 0.91 -0.75 4.32 4.87 1cw1A1 LYS 265 HB2 0.05 0.01 -0.10 -0.04 1.87 1.78 1cw1A1 LYS 265 HB3 0.08 -0.02 -0.13 -0.04 1.79 1.67 1cw1A1 LYS 265 HG2 0.06 0.12 -0.04 -0.04 1.46 1.56 1cw1A1 LYS 265 HG3 0.05 -0.02 -0.00 -0.04 1.46 1.45 1cw1A1 LYS 265 HD2 0.04 0.01 -0.09 -0.04 1.69 1.62 1cw1A1 LYS 265 HD3 0.06 -0.03 -0.11 -0.04 1.68 1.56 1cw1A1 LYS 265 HE2 0.04 0.08 -0.17 -0.04 2.99 2.90 1cw1A1 LYS 265 HE3 0.04 -0.01 -0.06 -0.04 2.99 2.92 1cw1A1 VAL 266 H 0.03 0.83 0.22 -0.55 8.24 8.77 1cw1A1 VAL 266 HA 0.07 0.22 0.82 -0.75 4.13 4.48 1cw1A1 VAL 266 HB -0.01 -0.02 0.08 -0.04 2.12 2.14 1cw1A1 VAL 266 HG13 0.06 0.06 -0.14 -0.04 0.97 0.91 1cw1A1 VAL 266 HG23 0.06 -0.01 -0.18 -0.04 0.95 0.77 1cw1A1 LYS 267 H 0.05 0.23 0.06 -0.55 8.42 8.21 1cw1A1 LYS 267 HA 0.03 0.12 0.51 -0.75 4.32 4.23 1cw1A1 ASN 268 H 0.02 0.75 0.17 -0.55 8.53 8.93 1cw1A1 ASN 268 HA 0.03 0.15 0.56 -0.75 4.76 4.75 1cw1A1 ASN 268 HB2 0.01 0.21 0.15 -0.04 2.88 3.21 1cw1A1 ASN 268 HB3 0.01 -0.31 0.26 -0.04 2.79 2.71 1cw1A1 ASN 268 HD21 -0.01 0.38 0.23 -0.04 7.03 7.59 1cw1A1 ASN 268 HD22 -0.00 0.09 0.10 -0.04 7.74 7.88 1cw1A1 PRO 269 HA 0.03 0.08 0.30 -0.51 4.44 4.34 1cw1A1 PRO 269 HB2 0.03 0.02 0.04 -0.04 2.28 2.32 1cw1A1 PRO 269 HB3 0.04 0.05 0.11 -0.04 2.02 2.18 1cw1A1 PRO 269 HG2 0.04 0.00 0.01 -0.04 2.03 2.05 1cw1A1 PRO 269 HG3 0.08 0.05 0.07 -0.04 2.03 2.19 1cw1A1 PRO 269 HD2 0.05 0.02 0.27 -0.04 3.68 3.98 1cw1A1 PRO 269 HD3 0.08 0.36 0.30 -0.04 3.65 4.35 1cw1A1 ASN 270 H 0.02 -0.05 -0.52 -0.55 8.53 7.43 1cw1A1 ASN 270 HA 0.01 0.23 0.93 -0.75 4.76 5.18 1cw1A1 ASN 270 HB2 0.01 0.02 0.02 -0.04 2.88 2.88 1cw1A1 ASN 270 HB3 0.01 0.03 0.00 -0.04 2.79 2.79 1cw1A1 ASN 270 HD21 0.02 -0.01 -0.08 -0.04 7.03 6.92 1cw1A1 ASN 270 HD22 0.01 0.11 -0.10 -0.04 7.74 7.72 1cw1A1 THR 271 H 0.01 -0.02 0.04 -0.55 8.28 7.76 1cw1A1 THR 271 HA 0.01 0.29 1.01 -0.75 4.39 4.94 1cw1A1 THR 271 HB 0.01 0.03 0.13 -0.04 4.32 4.45 1cw1A1 THR 271 HG23 0.00 0.02 -0.06 -0.04 1.22 1.14 1cw1A1 GLY 272 H 0.01 0.58 0.10 -0.55 8.43 8.58 1cw1A1 GLY 272 HA2 0.02 0.05 0.26 -0.51 4.01 3.83 1cw1A1 GLY 272 HA3 0.01 0.09 0.42 -0.51 4.01 4.02 1cw1A1 LYS 273 H 0.01 -0.04 -0.46 -0.55 8.42 7.38 1cw1A1 LYS 273 HA 0.01 0.06 0.41 -0.75 4.32 4.06 1cw1A1 LYS 273 HB2 0.01 0.05 0.01 -0.04 1.87 1.89 1cw1A1 LYS 273 HB3 0.01 -0.06 0.01 -0.04 1.79 1.71 1cw1A1 LYS 273 HG2 0.01 0.05 -0.54 -0.04 1.46 0.93 1cw1A1 LYS 273 HG3 0.01 -0.05 -0.04 -0.04 1.46 1.34 1cw1A1 LYS 273 HD2 0.00 0.07 -0.28 -0.04 1.69 1.44 1cw1A1 LYS 273 HD3 0.00 -0.02 -0.21 -0.04 1.68 1.42 1cw1A1 LYS 273 HE2 0.01 -0.07 -0.04 -0.04 2.99 2.85 1cw1A1 LYS 273 HE3 0.01 -0.06 -0.04 -0.04 2.99 2.86 1cw1A1 GLU 274 H 0.02 0.13 0.14 -0.55 8.60 8.34 1cw1A1 GLU 274 HA 0.02 0.13 0.59 -0.75 4.29 4.28 1cw1A1 GLU 274 HB2 0.03 -0.03 0.17 -0.04 2.09 2.22 1cw1A1 GLU 274 HB3 0.03 -0.02 -0.06 -0.04 1.99 1.90 1cw1A1 GLU 274 HG2 0.02 0.07 0.01 -0.04 2.34 2.40 1cw1A1 GLU 274 HG3 0.03 -0.04 -0.01 -0.04 2.34 2.28 1cw1A1 ILE 275 H 0.01 0.80 0.29 -0.55 8.25 8.80 1cw1A1 ILE 275 HA -0.01 0.26 0.62 -0.75 4.18 4.30 1cw1A1 ILE 275 HB -0.02 -0.05 0.13 -0.04 1.89 1.91 1cw1A1 ILE 275 HG12 -0.01 0.27 -0.11 -0.04 1.49 1.60 1cw1A1 ILE 275 HG13 -0.00 0.04 -0.05 -0.04 1.21 1.15 1cw1A1 ILE 275 HG23 -0.05 -0.02 -0.36 -0.04 0.93 0.46 1cw1A1 ILE 275 HD13 -0.03 -0.04 -0.19 -0.04 0.88 0.57 1cw1A1 VAL 276 H -0.03 0.56 0.40 -0.55 8.24 8.62 1cw1A1 VAL 276 HA 0.01 0.20 0.79 -0.75 4.13 4.38 1cw1A1 VAL 276 HB -0.12 -0.00 0.19 -0.04 2.12 2.15 1cw1A1 VAL 276 HG13 -0.21 -0.03 -0.15 -0.04 0.97 0.54 1cw1A1 VAL 276 HG23 0.04 0.03 0.04 -0.04 0.95 1.01 1cw1A1 ILE 277 H 0.02 0.87 0.40 -0.55 8.25 8.99 1cw1A1 ILE 277 HA -0.11 0.23 0.98 -0.75 4.18 4.53 1cw1A1 ILE 277 HB 0.14 -0.12 0.19 -0.04 1.89 2.06 1cw1A1 ILE 277 HG12 0.01 0.12 -0.26 -0.04 1.49 1.32 1cw1A1 ILE 277 HG13 0.02 -0.04 -0.12 -0.04 1.21 1.03 1cw1A1 ILE 277 HG23 -0.08 -0.01 -0.04 -0.04 0.93 0.75 1cw1A1 ILE 277 HD13 -0.10 0.02 -0.14 -0.04 0.88 0.62 1cw1A1 LYS 278 H -0.23 0.65 0.37 -0.55 8.42 8.66 1cw1A1 LYS 278 HA -0.11 0.13 0.78 -0.75 4.32 4.37 1cw1A1 LYS 278 HB2 -1.21 -0.07 0.16 -0.04 1.87 0.71 1cw1A1 LYS 278 HB3 -1.89 0.06 -0.08 -0.04 1.79 -0.16 1cw1A1 LYS 278 HG2 -0.46 0.07 -0.17 -0.04 1.46 0.86 1cw1A1 LYS 278 HG3 -0.32 -0.09 -0.19 -0.04 1.46 0.82 1cw1A1 LYS 278 HD2 -0.92 -0.03 -0.07 -0.04 1.69 0.62 1cw1A1 LYS 278 HD3 -1.31 0.02 -0.10 -0.04 1.68 0.25 1cw1A1 LYS 278 HE2 -0.30 -0.00 -0.12 -0.04 2.99 2.53 1cw1A1 LYS 278 HE3 -0.14 -0.10 -0.13 -0.04 2.99 2.58 1cw1A1 ASP 279 H 0.14 0.29 0.21 -0.55 8.40 8.50 1cw1A1 ASP 279 HA 0.01 0.19 0.86 -0.75 4.63 4.93 1cw1A1 ASP 279 HB2 0.19 0.04 0.14 -0.04 2.71 3.04 1cw1A1 ASP 279 HB3 -0.02 0.03 -0.17 -0.04 2.70 2.50 1cw1A1 VAL 280 H 0.07 0.56 0.29 -0.55 8.24 8.61 1cw1A1 VAL 280 HA 0.16 0.15 0.75 -0.75 4.13 4.44 1cw1A1 VAL 280 HB 0.16 -0.02 -0.01 -0.04 2.12 2.21 1cw1A1 VAL 280 HG13 0.29 0.03 -0.26 -0.04 0.97 0.99 1cw1A1 VAL 280 HG23 -0.08 -0.01 -0.17 -0.04 0.95 0.65 1cw1A1 ILE 281 H 0.02 0.19 0.15 -0.55 8.25 8.07 1cw1A1 ILE 281 HA -0.41 0.25 0.71 -0.75 4.18 3.98 1cw1A1 ILE 281 HB -0.01 -0.02 0.17 -0.04 1.89 1.99 1cw1A1 ILE 281 HG12 0.01 0.07 0.11 -0.04 1.49 1.63 1cw1A1 ILE 281 HG13 -0.00 0.08 0.07 -0.04 1.21 1.31 1cw1A1 ILE 281 HG23 -0.07 -0.06 0.09 -0.04 0.93 0.84 1cw1A1 ILE 281 HD13 -0.15 -0.01 -0.01 -0.04 0.88 0.67 1cw1A1 ALA 282 H -0.17 0.54 0.28 -0.55 8.40 8.51 1cw1A1 ALA 282 HA 0.02 0.13 0.28 -0.75 4.34 4.02 1cw1A1 ALA 282 HB3 -0.02 -0.01 -0.02 -0.04 1.41 1.32 1cw1A1 ASP 283 H 0.00 0.06 -0.11 -0.55 8.40 7.81 1cw1A1 ASP 283 HA 0.03 0.13 0.40 -0.75 4.63 4.45 1cw1A1 ASP 283 HB2 0.01 0.11 0.02 -0.04 2.71 2.81 1cw1A1 ASP 283 HB3 0.02 0.00 0.07 -0.04 2.70 2.75 1cw1A1 ALA 284 H 0.03 0.06 -0.23 -0.55 8.40 7.71 1cw1A1 ALA 284 HA 0.02 0.11 0.38 -0.75 4.34 4.09 1cw1A1 ALA 284 HB3 0.05 0.03 0.08 -0.04 1.41 1.54 1cw1A1 PHE 285 H 0.14 0.43 -0.27 -0.55 8.34 8.09 1cw1A1 PHE 285 HA -0.14 0.04 0.29 -0.75 4.62 4.06 1cw1A1 PHE 285 HB2 -0.11 -0.01 -0.15 -0.04 3.15 2.84 1cw1A1 PHE 285 HB3 -0.09 0.10 0.02 -0.04 3.06 3.05 1cw1A1 PHE 285 HD2 -0.29 -0.02 -0.15 -0.04 7.28 6.77 1cw1A1 PHE 285 HE2 -0.68 0.04 -0.16 -0.04 7.38 6.54 1cw1A1 PHE 285 HZ -0.16 0.09 -0.15 -0.04 7.32 7.05 1cw1A1 LEU 286 H 0.04 0.40 -0.28 -0.55 8.37 7.99 1cw1A1 LEU 286 HA -0.15 0.04 0.31 -0.75 4.35 3.80 1cw1A1 LEU 286 HB2 0.01 0.11 0.15 -0.04 1.64 1.87 1cw1A1 LEU 286 HB3 -0.03 0.02 -0.05 -0.04 1.64 1.54 1cw1A1 LEU 286 HG -0.01 0.03 -0.01 -0.04 1.64 1.60 1cw1A1 LEU 286 HD13 0.08 0.01 -0.10 -0.04 0.93 0.88 1cw1A1 LEU 286 HD23 0.04 -0.03 -0.06 -0.04 0.89 0.81 1cw1A1 GLN 287 H -0.06 0.25 -0.57 -0.55 8.47 7.54 1cw1A1 GLN 287 HA -0.06 0.12 0.65 -0.75 4.36 4.32 1cw1A1 GLN 287 HB2 -0.01 0.13 0.17 -0.04 2.15 2.39 1cw1A1 GLN 287 HB3 -0.02 -0.02 0.03 -0.04 2.02 1.97 1cw1A1 GLN 287 HG2 -0.02 0.00 -0.04 -0.04 2.40 2.30 1cw1A1 GLN 287 HG3 -0.02 0.14 0.03 -0.04 2.39 2.51 1cw1A1 GLN 287 HE21 0.00 -0.02 -0.03 -0.04 6.97 6.88 1cw1A1 GLN 287 HE22 -0.01 0.01 -0.03 -0.04 7.69 7.63 1cw1A1 GLN 288 H -0.11 0.56 0.09 -0.55 8.47 8.47 1cw1A1 GLN 288 HA 0.00 -0.02 0.33 -0.75 4.36 3.92 1cw1A1 GLN 288 HB2 -0.21 0.01 0.07 -0.04 2.15 1.98 1cw1A1 GLN 288 HB3 0.15 0.05 -0.06 -0.04 2.02 2.12 1cw1A1 GLN 288 HG2 0.06 0.11 -0.05 -0.04 2.40 2.48 1cw1A1 GLN 288 HG3 0.20 -0.02 -0.07 -0.04 2.39 2.46 1cw1A1 GLN 288 HE21 0.05 0.03 -0.08 -0.04 6.97 6.93 1cw1A1 GLN 288 HE22 0.04 -0.01 -0.04 -0.04 7.69 7.64 1cw1A1 ILE 289 H -0.45 0.51 -0.32 -0.55 8.25 7.44 1cw1A1 ILE 289 HA -0.22 0.07 0.24 -0.75 4.18 3.51 1cw1A1 ILE 289 HB -0.21 0.02 -0.05 -0.04 1.89 1.60 1cw1A1 ILE 289 HG12 -0.37 0.07 -0.07 -0.04 1.49 1.07 1cw1A1 ILE 289 HG13 -0.18 0.05 -0.22 -0.04 1.21 0.82 1cw1A1 ILE 289 HG23 -0.99 0.02 -0.09 -0.04 0.93 -0.17 1cw1A1 ILE 289 HD13 -0.18 -0.03 -0.11 -0.04 0.88 0.52 1cw1A1 LEU 290 H -0.11 0.29 -0.48 -0.55 8.37 7.52 1cw1A1 LEU 290 HA -0.05 0.13 0.63 -0.75 4.35 4.30 1cw1A1 LEU 290 HB2 -0.06 0.12 0.15 -0.04 1.64 1.82 1cw1A1 LEU 290 HB3 -0.03 -0.03 -0.09 -0.04 1.64 1.45 1cw1A1 LEU 290 HG -0.04 -0.05 0.01 -0.04 1.64 1.52 1cw1A1 LEU 290 HD13 -0.04 0.00 -0.00 -0.04 0.93 0.85 1cw1A1 LEU 290 HD23 -0.07 0.02 -0.06 -0.04 0.89 0.74 1cw1A1 LEU 291 H -0.03 0.37 0.04 -0.55 8.37 8.21 1cw1A1 LEU 291 HA 0.01 0.11 0.64 -0.75 4.35 4.35 1cw1A1 LEU 291 HB2 0.01 0.00 0.02 -0.04 1.64 1.63 1cw1A1 LEU 291 HB3 0.02 -0.02 -0.07 -0.04 1.64 1.54 1cw1A1 LEU 291 HG 0.01 -0.02 -0.00 -0.04 1.64 1.58 1cw1A1 LEU 291 HD13 -0.00 0.00 -0.10 -0.04 0.93 0.79 1cw1A1 LEU 291 HD23 0.00 0.00 -0.06 -0.04 0.89 0.79 1cw1A1 ARG 292 H 0.05 0.68 -0.05 -0.55 8.46 8.58 1cw1A1 ARG 292 HA 0.04 0.14 0.65 -0.75 4.34 4.41 1cw1A1 ARG 292 HB2 0.17 -0.03 0.08 -0.04 1.90 2.08 1cw1A1 ARG 292 HB3 0.06 -0.06 0.13 -0.04 1.80 1.89 1cw1A1 ARG 292 HG2 0.04 0.11 -0.06 -0.04 1.67 1.73 1cw1A1 ARG 292 HG3 0.06 -0.11 -0.58 -0.04 1.67 1.00 1cw1A1 ARG 292 HD2 0.10 -0.06 -0.06 -0.04 3.22 3.16 1cw1A1 ARG 292 HD3 0.06 0.00 -0.03 -0.04 3.22 3.22 1cw1A1 PRO 293 HA 0.17 -0.02 0.32 -0.51 4.44 4.40 1cw1A1 PRO 293 HB2 0.04 0.08 -0.24 -0.04 2.28 2.13 1cw1A1 PRO 293 HB3 0.01 0.32 0.09 -0.04 2.02 2.40 1cw1A1 PRO 293 HG2 0.02 -0.05 -0.06 -0.04 2.03 1.90 1cw1A1 PRO 293 HG3 0.01 0.07 -0.08 -0.04 2.03 2.00 1cw1A1 PRO 293 HD2 0.02 0.11 -0.30 -0.04 3.68 3.47 1cw1A1 PRO 293 HD3 0.01 0.15 -0.59 -0.04 3.65 3.18 1cw1A1 ALA 294 H 0.03 0.05 -0.27 -0.55 8.40 7.67 1cw1A1 ALA 294 HA 0.02 0.28 0.43 -0.75 4.34 4.31 1cw1A1 ALA 294 HB3 -0.01 -0.02 0.06 -0.04 1.41 1.41 1cw1A1 GLU 295 H -0.05 0.34 -0.42 -0.55 8.60 7.92 1cw1A1 GLU 295 HA -0.16 0.09 0.49 -0.75 4.29 3.95 1cw1A1 GLU 295 HB2 -0.52 0.11 0.00 -0.04 2.09 1.64 1cw1A1 GLU 295 HB3 -0.42 -0.09 0.07 -0.04 1.99 1.52 1cw1A1 GLU 295 HG2 -0.07 -0.00 -0.04 -0.04 2.34 2.19 1cw1A1 GLU 295 HG3 -0.05 -0.03 -0.03 -0.04 2.34 2.19 1cw1A1 TYR 296 H 0.03 0.55 -0.34 -0.55 8.29 7.97 1cw1A1 TYR 296 HA 0.04 0.07 0.86 -0.75 4.56 4.78 1cw1A1 TYR 296 HB2 0.10 0.13 -0.03 -0.04 3.06 3.22 1cw1A1 TYR 296 HB3 0.20 -0.09 -0.10 -0.04 2.98 2.94 1cw1A1 TYR 296 HD2 0.08 0.06 -0.17 -0.04 7.15 7.07 1cw1A1 TYR 296 HE2 0.08 -0.03 -0.19 -0.04 6.85 6.67 1cw1A1 ASP 297 H 0.17 0.05 -0.06 -0.55 8.40 8.01 1cw1A1 ASP 297 HA 0.11 0.39 0.89 -0.75 4.63 5.26 1cw1A1 ASP 297 HB2 0.04 0.07 -0.16 -0.04 2.71 2.62 1cw1A1 ASP 297 HB3 0.05 -0.03 0.30 -0.04 2.70 2.97 1cw1A1 VAL 298 H 0.07 0.45 0.32 -0.55 8.24 8.53 1cw1A1 VAL 298 HA 0.12 0.18 0.89 -0.75 4.13 4.57 1cw1A1 VAL 298 HB 0.03 0.13 0.29 -0.04 2.12 2.53 1cw1A1 VAL 298 HG13 0.03 0.02 -0.06 -0.04 0.97 0.92 1cw1A1 VAL 298 HG23 0.20 -0.01 0.02 -0.04 0.95 1.11 1cw1A1 ILE 299 H 0.12 0.78 0.47 -0.55 8.25 9.06 1cw1A1 ILE 299 HA -0.02 0.16 1.02 -0.75 4.18 4.58 1cw1A1 ILE 299 HB 0.05 -0.06 0.08 -0.04 1.89 1.92 1cw1A1 ILE 299 HG12 0.13 0.16 -0.32 -0.04 1.49 1.41 1cw1A1 ILE 299 HG13 0.20 -0.02 -0.16 -0.04 1.21 1.18 1cw1A1 ILE 299 HG23 -0.19 -0.02 -0.14 -0.04 0.93 0.54 1cw1A1 ILE 299 HD13 0.04 0.02 -0.20 -0.04 0.88 0.70 1cw1A1 ALA 300 H -0.02 0.72 0.33 -0.55 8.40 8.88 1cw1A1 ALA 300 HA 0.16 0.34 1.02 -0.75 4.34 5.10 1cw1A1 ALA 300 HB3 0.05 -0.01 0.01 -0.04 1.41 1.42 1cw1A1 CYS 301 H 0.10 0.71 0.39 -0.55 8.50 9.15 1cw1A1 CYS 301 HA -0.24 0.15 0.79 -0.75 4.58 4.52 1cw1A1 CYS 301 HB2 -0.19 -0.18 0.17 -0.04 2.97 2.73 1cw1A1 CYS 301 HB3 -0.12 0.04 -0.06 -0.04 2.97 2.79 1cw1A1 MET 302 H -0.53 0.11 0.23 -0.55 8.47 7.74 1cw1A1 MET 302 HA -0.31 0.18 0.70 -0.75 4.52 4.33 1cw1A1 MET 302 HB2 -0.29 -0.07 0.16 -0.04 2.15 1.90 1cw1A1 MET 302 HB3 -0.19 -0.09 0.15 -0.04 2.03 1.86 1cw1A1 MET 302 HG2 -0.34 0.07 0.05 -0.04 2.63 2.38 1cw1A1 MET 302 HG3 -1.25 0.07 0.06 -0.04 2.56 1.40 1cw1A1 MET 302 HE3 0.01 -0.01 0.00 -0.04 2.10 2.06 1cw1A1 ASN 303 H -0.13 0.09 0.13 -0.55 8.53 8.08 1cw1A1 ASN 303 HA -0.23 0.32 0.34 -0.75 4.76 4.44 1cw1A1 ASN 303 HB2 -0.10 -0.06 0.07 -0.04 2.88 2.75 1cw1A1 ASN 303 HB3 -0.11 -0.25 0.13 -0.04 2.79 2.52 1cw1A1 ASN 303 HD21 -0.13 0.13 -0.17 -0.04 7.03 6.83 1cw1A1 ASN 303 HD22 -0.03 0.13 -0.15 -0.04 7.74 7.64 1cw1A1 LEU 304 H -0.09 -0.01 0.01 -0.55 8.37 7.73 1cw1A1 LEU 304 HA -0.10 0.17 0.42 -0.75 4.35 4.09 1cw1A1 LEU 304 HB2 0.05 -0.03 0.11 -0.04 1.64 1.73 1cw1A1 LEU 304 HB3 -0.13 -0.09 0.10 -0.04 1.64 1.48 1cw1A1 LEU 304 HG -0.69 0.02 -0.19 -0.04 1.64 0.73 1cw1A1 LEU 304 HD13 -0.14 0.03 0.02 -0.04 0.93 0.79 1cw1A1 LEU 304 HD23 -0.07 0.00 -0.02 -0.04 0.89 0.76 1cw1A1 ASN 305 H -0.18 -0.00 -0.16 -0.55 8.53 7.64 1cw1A1 ASN 305 HA -0.14 0.06 0.35 -0.75 4.76 4.28 1cw1A1 ASN 305 HB2 -0.15 -0.01 0.08 -0.04 2.88 2.76 1cw1A1 ASN 305 HB3 -0.07 0.09 -0.05 -0.04 2.79 2.72 1cw1A1 ASN 305 HD21 -0.06 -0.09 0.02 -0.04 7.03 6.86 1cw1A1 ASN 305 HD22 -0.12 0.08 0.06 -0.04 7.74 7.72 1cw1A1 GLY 306 H -0.16 0.57 -0.28 -0.55 8.43 8.02 1cw1A1 GLY 306 HA2 -0.04 0.01 0.29 -0.51 4.01 3.75 1cw1A1 GLY 306 HA3 -0.10 0.12 0.18 -0.51 4.01 3.69 1cw1A1 ASP 307 H -0.18 0.40 -0.23 -0.55 8.40 7.85 1cw1A1 ASP 307 HA -0.04 0.08 0.41 -0.75 4.63 4.33 1cw1A1 ASP 307 HB2 -0.20 0.03 0.10 -0.04 2.71 2.60 1cw1A1 ASP 307 HB3 -0.13 0.12 0.22 -0.04 2.70 2.88 1cw1A1 TYR 308 H -0.02 0.40 -0.11 -0.55 8.29 8.01 1cw1A1 TYR 308 HA 0.02 0.03 0.34 -0.75 4.56 4.19 1cw1A1 TYR 308 HB2 0.02 0.05 0.16 -0.04 3.06 3.24 1cw1A1 TYR 308 HB3 0.02 -0.01 -0.02 -0.04 2.98 2.93 1cw1A1 TYR 308 HD2 0.03 -0.03 -0.10 -0.04 7.15 7.01 1cw1A1 TYR 308 HE2 0.03 -0.02 -0.05 -0.04 6.85 6.77 1cw1A1 ILE 309 H 0.12 0.68 -0.04 -0.55 8.25 8.46 1cw1A1 ILE 309 HA 0.11 -0.00 0.33 -0.75 4.18 3.86 1cw1A1 ILE 309 HB 0.08 0.04 0.06 -0.04 1.89 2.03 1cw1A1 ILE 309 HG12 0.31 -0.01 -0.07 -0.04 1.49 1.67 1cw1A1 ILE 309 HG13 0.15 0.03 0.02 -0.04 1.21 1.37 1cw1A1 ILE 309 HG23 0.22 0.01 -0.22 -0.04 0.93 0.91 1cw1A1 ILE 309 HD13 0.03 -0.04 -0.17 -0.04 0.88 0.66 1cw1A1 SER 310 H 0.05 0.64 -0.16 -0.55 8.46 8.44 1cw1A1 SER 310 HA 0.04 0.05 0.34 -0.75 4.49 4.16 1cw1A1 SER 310 HB2 0.01 0.04 0.07 -0.04 3.95 4.03 1cw1A1 SER 310 HB3 0.00 0.02 -0.02 -0.04 3.93 3.89 1cw1A1 ASP 311 H 0.07 0.45 -0.22 -0.55 8.40 8.15 1cw1A1 ASP 311 HA 0.04 0.06 0.46 -0.75 4.63 4.44 1cw1A1 ASP 311 HB2 0.08 0.11 0.16 -0.04 2.71 3.01 1cw1A1 ASP 311 HB3 0.04 -0.07 -0.02 -0.04 2.70 2.60 1cw1A1 ALA 312 H 0.04 0.63 -0.03 -0.55 8.40 8.49 1cw1A1 ALA 312 HA -0.01 -0.02 0.39 -0.75 4.34 3.96 1cw1A1 ALA 312 HB3 -0.01 0.01 0.07 -0.04 1.41 1.44 1cw1A1 LEU 313 H 0.02 0.61 -0.20 -0.55 8.37 8.26 1cw1A1 LEU 313 HA -0.00 0.02 0.29 -0.75 4.35 3.90 1cw1A1 LEU 313 HB2 0.04 0.23 0.12 -0.04 1.64 1.98 1cw1A1 LEU 313 HB3 0.04 0.04 -0.12 -0.04 1.64 1.56 1cw1A1 LEU 313 HG 0.04 0.04 -0.08 -0.04 1.64 1.60 1cw1A1 LEU 313 HD13 -0.04 -0.02 -0.07 -0.04 0.93 0.76 1cw1A1 LEU 313 HD23 0.08 -0.01 -0.14 -0.04 0.89 0.79 1cw1A1 ALA 314 H 0.04 0.53 -0.24 -0.55 8.40 8.18 1cw1A1 ALA 314 HA 0.06 0.05 0.24 -0.75 4.34 3.94 1cw1A1 ALA 314 HB3 0.05 0.05 -0.04 -0.04 1.41 1.43 1cw1A1 ALA 315 H 0.02 0.56 -0.26 -0.55 8.40 8.17 1cw1A1 ALA 315 HA 0.01 -0.12 0.35 -0.75 4.34 3.83 1cw1A1 ALA 315 HB3 -0.00 0.03 0.10 -0.04 1.41 1.49 1cw1A1 GLN 316 H -0.00 0.53 -0.13 -0.55 8.47 8.32 1cw1A1 GLN 316 HA -0.03 -0.03 0.35 -0.75 4.36 3.90 1cw1A1 GLN 316 HB2 -0.01 0.17 0.09 -0.04 2.15 2.36 1cw1A1 GLN 316 HB3 -0.03 -0.04 -0.01 -0.04 2.02 1.89 1cw1A1 GLN 316 HG2 -0.04 -0.09 -0.01 -0.04 2.40 2.23 1cw1A1 GLN 316 HG3 -0.02 0.13 0.08 -0.04 2.39 2.54 1cw1A1 GLN 316 HE21 -0.08 -0.06 -0.29 -0.04 6.97 6.51 1cw1A1 GLN 316 HE22 -0.04 0.05 -0.11 -0.04 7.69 7.55 1cw1A1 VAL 317 H 0.04 0.39 -0.28 -0.55 8.24 7.85 1cw1A1 VAL 317 HA 0.05 0.10 0.70 -0.75 4.13 4.22 1cw1A1 VAL 317 HB 0.33 -0.05 0.06 -0.04 2.12 2.42 1cw1A1 VAL 317 HG13 0.07 0.03 -0.14 -0.04 0.97 0.90 1cw1A1 VAL 317 HG23 0.13 0.04 -0.10 -0.04 0.95 0.97 1cw1A1 GLY 318 H 0.01 0.44 -0.39 -0.55 8.43 7.95 1cw1A1 GLY 318 HA2 -0.07 0.00 0.38 -0.51 4.01 3.82 1cw1A1 GLY 318 HA3 -0.07 0.23 0.37 -0.51 4.01 4.02 1cw1A1 GLY 319 H 0.06 0.52 -0.21 -0.55 8.43 8.25 1cw1A1 GLY 319 HA2 0.11 0.11 0.61 -0.51 4.01 4.33 1cw1A1 GLY 319 HA3 0.11 0.12 0.19 -0.51 4.01 3.92 1cw1A1 ILE 320 H 0.03 0.24 -0.34 -0.55 8.25 7.62 1cw1A1 ILE 320 HA 0.05 0.07 0.19 -0.75 4.18 3.74 1cw1A1 ILE 320 HB 0.02 0.06 0.01 -0.04 1.89 1.93 1cw1A1 ILE 320 HG12 0.05 -0.07 -0.16 -0.04 1.49 1.27 1cw1A1 ILE 320 HG13 0.04 0.02 0.04 -0.04 1.21 1.27 1cw1A1 ILE 320 HG23 0.00 0.02 -0.06 -0.04 0.93 0.86 1cw1A1 ILE 320 HD13 0.02 -0.00 -0.02 -0.04 0.88 0.84 1cw1A1 GLY 321 H 0.08 0.19 -0.34 -0.55 8.43 7.81 1cw1A1 GLY 321 HA2 0.11 0.12 0.73 -0.51 4.01 4.46 1cw1A1 GLY 321 HA3 0.03 -0.04 0.27 -0.51 4.01 3.76 1cw1A1 ILE 322 H 0.11 0.45 -0.35 -0.55 8.25 7.91 1cw1A1 ILE 322 HA 0.08 -0.04 0.66 -0.75 4.18 4.12 1cw1A1 ILE 322 HB -0.02 0.06 -0.01 -0.04 1.89 1.88 1cw1A1 ILE 322 HG12 0.19 -0.07 -0.03 -0.04 1.49 1.53 1cw1A1 ILE 322 HG13 0.10 0.14 -0.18 -0.04 1.21 1.23 1cw1A1 ILE 322 HG23 -0.03 -0.07 -0.22 -0.04 0.93 0.58 1cw1A1 ILE 322 HD13 0.05 0.03 -0.05 -0.04 0.88 0.87 1cw1A1 ALA 323 H 0.09 0.07 -0.14 -0.55 8.40 7.88 1cw1A1 ALA 323 HA 0.08 0.24 0.71 -0.75 4.34 4.62 1cw1A1 ALA 323 HB3 0.06 0.02 0.06 -0.04 1.41 1.50 1cw1A1 PRO 324 HA 0.04 0.07 0.60 -0.51 4.44 4.64 1cw1A1 PRO 324 HB2 0.08 0.03 -0.14 -0.04 2.28 2.20 1cw1A1 PRO 324 HB3 0.07 -0.12 -0.24 -0.04 2.02 1.69 1cw1A1 PRO 324 HG2 0.07 0.10 0.10 -0.04 2.03 2.26 1cw1A1 PRO 324 HG3 0.11 0.01 0.05 -0.04 2.03 2.16 1cw1A1 PRO 324 HD2 0.09 0.15 0.35 -0.04 3.68 4.23 1cw1A1 PRO 324 HD3 0.09 0.27 0.27 -0.04 3.65 4.24 1cw1A1 GLY 325 H 0.04 0.19 0.26 -0.55 8.43 8.38 1cw1A1 GLY 325 HA2 -0.05 0.32 0.79 -0.51 4.01 4.56 1cw1A1 GLY 325 HA3 -0.04 -0.02 0.24 -0.51 4.01 3.68 1cw1A1 ALA 326 H -0.16 0.53 0.33 -0.55 8.40 8.55 1cw1A1 ALA 326 HA -0.40 0.15 0.90 -0.75 4.34 4.24 1cw1A1 ALA 326 HB3 -0.46 0.01 -0.06 -0.04 1.41 0.86 1cw1A1 ASN 327 H -0.48 0.57 0.19 -0.55 8.53 8.26 1cw1A1 ASN 327 HA -0.23 0.34 1.01 -0.75 4.76 5.13 1cw1A1 ASN 327 HB2 -0.19 -0.02 0.24 -0.04 2.88 2.87 1cw1A1 ASN 327 HB3 -0.15 0.02 0.07 -0.04 2.79 2.69 1cw1A1 ASN 327 HD21 -0.10 -0.07 -0.19 -0.04 7.03 6.64 1cw1A1 ASN 327 HD22 -0.13 0.17 -0.08 -0.04 7.74 7.66 1cw1A1 ILE 328 H -0.27 0.65 0.23 -0.55 8.25 8.32 1cw1A1 ILE 328 HA -0.25 0.22 1.17 -0.75 4.18 4.56 1cw1A1 ILE 328 HB -0.20 -0.09 0.04 -0.04 1.89 1.60 1cw1A1 ILE 328 HG12 -0.43 0.08 -0.13 -0.04 1.49 0.97 1cw1A1 ILE 328 HG13 -0.40 -0.18 -0.47 -0.04 1.21 0.12 1cw1A1 ILE 328 HG23 -0.03 0.03 -0.09 -0.04 0.93 0.79 1cw1A1 ILE 328 HD13 -0.07 0.01 -0.12 -0.04 0.88 0.66 1cw1A1 GLY 329 H -0.11 0.72 0.37 -0.55 8.43 8.86 1cw1A1 GLY 329 HA2 -0.34 0.04 0.94 -0.51 4.01 4.15 1cw1A1 GLY 329 HA3 -0.04 0.10 0.39 -0.51 4.01 3.96 1cw1A1 ASP 330 H 0.17 0.14 0.21 -0.55 8.40 8.38 1cw1A1 ASP 330 HA 0.10 0.17 0.51 -0.75 4.63 4.66 1cw1A1 ASP 330 HB2 0.11 -0.01 0.09 -0.04 2.71 2.85 1cw1A1 ASP 330 HB3 0.09 0.02 0.07 -0.04 2.70 2.83 1cw1A1 GLU 331 H 0.05 -0.01 -0.04 -0.55 8.60 8.05 1cw1A1 GLU 331 HA 0.04 0.22 0.97 -0.75 4.29 4.77 1cw1A1 GLU 331 HB2 0.03 0.00 0.04 -0.04 2.09 2.12 1cw1A1 GLU 331 HB3 0.02 0.08 0.06 -0.04 1.99 2.10 1cw1A1 GLU 331 HG2 0.04 -0.13 -0.10 -0.04 2.34 2.12 1cw1A1 GLU 331 HG3 0.02 -0.01 -0.02 -0.04 2.34 2.30 1cw1A1 CYS 332 H 0.02 -0.01 -0.01 -0.55 8.50 7.95 1cw1A1 CYS 332 HA 0.06 0.33 0.57 -0.75 4.58 4.79 1cw1A1 CYS 332 HB2 0.03 0.03 -0.01 -0.04 2.97 2.99 1cw1A1 CYS 332 HB3 0.03 0.19 -0.02 -0.04 2.97 3.13 1cw1A1 ALA 333 H 0.03 0.57 0.22 -0.55 8.40 8.67 1cw1A1 ALA 333 HA -0.19 0.13 0.86 -0.75 4.34 4.39 1cw1A1 ALA 333 HB3 -0.30 0.01 0.01 -0.04 1.41 1.08 1cw1A1 LEU 334 H -0.31 0.70 0.31 -0.55 8.37 8.52 1cw1A1 LEU 334 HA 0.01 0.27 0.95 -0.75 4.35 4.83 1cw1A1 LEU 334 HB2 -0.04 -0.00 -0.17 -0.04 1.64 1.39 1cw1A1 LEU 334 HB3 -0.11 -0.04 0.08 -0.04 1.64 1.53 1cw1A1 LEU 334 HG -0.03 0.04 -0.37 -0.04 1.64 1.24 1cw1A1 LEU 334 HD13 0.04 0.01 -0.31 -0.04 0.93 0.63 1cw1A1 LEU 334 HD23 -0.01 -0.03 -0.17 -0.04 0.89 0.63 1cw1A1 PHE 335 H 0.29 0.75 0.42 -0.55 8.34 9.25 1cw1A1 PHE 335 HA -0.06 0.13 0.93 -0.75 4.62 4.87 1cw1A1 PHE 335 HB2 -0.00 -0.04 0.15 -0.04 3.15 3.21 1cw1A1 PHE 335 HB3 -0.02 0.06 0.13 -0.04 3.06 3.19 1cw1A1 PHE 335 HD2 -0.05 0.16 0.02 -0.04 7.28 7.37 1cw1A1 PHE 335 HE2 -0.17 0.04 -0.18 -0.04 7.38 7.03 1cw1A1 PHE 335 HZ -0.65 0.05 -0.11 -0.04 7.32 6.57 1cw1A1 GLU 336 H 0.04 0.61 0.30 -0.55 8.60 9.01 1cw1A1 GLU 336 HA 0.03 0.15 0.89 -0.75 4.29 4.61 1cw1A1 GLU 336 HB2 -0.03 0.06 -0.08 -0.04 2.09 2.00 1cw1A1 GLU 336 HB3 -0.02 -0.01 -0.44 -0.04 1.99 1.48 1cw1A1 GLU 336 HG2 -0.07 0.00 -0.24 -0.04 2.34 1.99 1cw1A1 GLU 336 HG3 -0.05 0.03 -0.45 -0.04 2.34 1.82 1cw1A1 ALA 337 H -0.04 0.45 0.22 -0.55 8.40 8.48 1cw1A1 ALA 337 HA -0.11 -0.01 0.31 -0.75 4.34 3.78 1cw1A1 ALA 337 HB3 -0.30 -0.03 0.06 -0.04 1.41 1.10 1cw1A1 THR 338 H -0.17 0.14 0.13 -0.55 8.28 7.84 1cw1A1 THR 338 HA -0.09 0.20 0.80 -0.75 4.39 4.55 1cw1A1 THR 338 HB -0.01 -0.08 0.02 -0.04 4.32 4.20 1cw1A1 THR 338 HG23 -0.03 0.04 -0.27 -0.04 1.22 0.92 1cw1A1 HIS 339 H -0.59 -0.06 -0.04 -0.55 8.41 7.17 1cw1A1 HIS 339 HA 0.03 0.17 0.68 -0.75 4.63 4.76 1cw1A1 HIS 339 HB2 0.04 -0.17 0.17 -0.04 3.26 3.26 1cw1A1 HIS 339 HB3 0.04 0.16 0.16 -0.04 3.20 3.51 1cw1A1 HIS 339 HD2 0.03 0.11 0.06 -0.04 6.97 7.13 1cw1A1 HIS 339 HE1 0.04 -0.07 -0.04 -0.04 7.75 7.64 1cw1A1 GLY 340 H 0.19 0.08 0.11 -0.55 8.43 8.27 1cw1A1 GLY 340 HA2 0.10 0.18 0.43 -0.51 4.01 4.21 1cw1A1 GLY 340 HA3 0.10 -0.05 0.35 -0.51 4.01 3.91 1cw1A1 THR 341 H 0.08 0.13 0.09 -0.55 8.28 8.03 1cw1A1 THR 341 HA 0.13 0.26 0.56 -0.75 4.39 4.58 1cw1A1 THR 341 HB 0.07 -0.09 -0.21 -0.04 4.32 4.04 1cw1A1 THR 341 HG23 0.07 0.05 -0.35 -0.04 1.22 0.95 1cw1A1 ALA 342 H 0.06 0.07 -0.11 -0.55 8.40 7.87 1cw1A1 ALA 342 HA -0.01 0.07 0.32 -0.75 4.34 3.96 1cw1A1 ALA 342 HB3 0.11 0.03 -0.00 -0.04 1.41 1.51 1cw1A1 PRO 343 HA 0.01 0.01 0.38 -0.51 4.44 4.33 1cw1A1 PRO 343 HB2 -0.02 0.13 0.00 -0.04 2.28 2.35 1cw1A1 PRO 343 HB3 0.01 -0.02 0.09 -0.04 2.02 2.06 1cw1A1 PRO 343 HG2 -0.04 0.07 0.03 -0.04 2.03 2.04 1cw1A1 PRO 343 HG3 -0.01 0.08 0.03 -0.04 2.03 2.08 1cw1A1 PRO 343 HD2 -0.02 0.07 0.10 -0.04 3.68 3.80 1cw1A1 PRO 343 HD3 0.02 0.03 -0.16 -0.04 3.65 3.49 1cw1A1 LYS 344 H -0.17 0.03 -0.38 -0.55 8.42 7.34 1cw1A1 LYS 344 HA -0.12 0.12 0.39 -0.75 4.32 3.96 1cw1A1 TYR 345 H -0.16 0.35 -0.09 -0.55 8.29 7.84 1cw1A1 TYR 345 HA -0.05 0.27 0.75 -0.75 4.56 4.77 1cw1A1 TYR 345 HB2 -0.02 0.01 0.04 -0.04 3.06 3.05 1cw1A1 TYR 345 HB3 -0.07 -0.12 0.12 -0.04 2.98 2.88 1cw1A1 TYR 345 HD2 -0.04 0.04 -0.05 -0.04 7.15 7.06 1cw1A1 TYR 345 HE2 -0.01 0.04 -0.04 -0.04 6.85 6.80 1cw1A1 ALA 346 H 0.03 0.26 -0.34 -0.55 8.40 7.81 1cw1A1 ALA 346 HA 0.06 -0.14 0.30 -0.75 4.34 3.80 1cw1A1 ALA 346 HB3 0.03 0.03 0.01 -0.04 1.41 1.44 1cw1A1 GLY 347 H 0.03 0.01 0.17 -0.55 8.43 8.10 1cw1A1 GLY 347 HA2 0.01 0.01 0.34 -0.51 4.01 3.86 1cw1A1 GLY 347 HA3 0.02 0.19 0.49 -0.51 4.01 4.19 1cw1A1 GLN 348 H 0.03 0.49 -0.24 -0.55 8.47 8.21 1cw1A1 GLN 348 HA 0.00 0.23 0.67 -0.75 4.36 4.51 1cw1A1 GLN 348 HB2 0.02 -0.00 0.12 -0.04 2.15 2.25 1cw1A1 GLN 348 HB3 -0.03 -0.02 0.12 -0.04 2.02 2.05 1cw1A1 GLN 348 HG2 0.01 0.02 -0.04 -0.04 2.40 2.35 1cw1A1 GLN 348 HG3 0.04 0.13 -0.20 -0.04 2.39 2.31 1cw1A1 GLN 348 HE21 0.10 -0.05 0.05 -0.04 6.97 7.03 1cw1A1 GLN 348 HE22 0.05 0.15 0.12 -0.04 7.69 7.97 1cw1A1 ASP 349 H 0.01 0.00 -0.21 -0.55 8.40 7.65 1cw1A1 ASP 349 HA -0.00 -0.02 0.30 -0.75 4.63 4.16 1cw1A1 ASP 349 HB2 -0.00 0.10 -0.11 -0.04 2.71 2.66 1cw1A1 ASP 349 HB3 -0.01 0.25 0.10 -0.04 2.70 2.99 1cw1A1 LYS 350 H -0.02 -0.06 -0.09 -0.55 8.42 7.70 1cw1A1 LYS 350 HA -0.04 0.20 1.03 -0.75 4.32 4.75 1cw1A1 LYS 350 HB2 -0.14 0.19 -0.14 -0.04 1.87 1.74 1cw1A1 LYS 350 HB3 -0.18 -0.05 0.01 -0.04 1.79 1.53 1cw1A1 LYS 350 HG2 -0.60 -0.08 -0.24 -0.04 1.46 0.50 1cw1A1 LYS 350 HG3 -0.29 0.01 0.06 -0.04 1.46 1.20 1cw1A1 LYS 350 HD2 -0.36 0.08 -0.02 -0.04 1.69 1.35 1cw1A1 LYS 350 HD3 -0.68 -0.02 -0.03 -0.04 1.68 0.91 1cw1A1 LYS 350 HE2 -2.30 -0.06 -0.05 -0.04 2.99 0.54 1cw1A1 LYS 350 HE3 -0.94 -0.00 -0.01 -0.04 2.99 1.99 1cw1A1 VAL 351 H -0.01 -0.07 0.10 -0.55 8.24 7.72 1cw1A1 VAL 351 HA 0.12 0.10 0.48 -0.75 4.13 4.08 1cw1A1 VAL 351 HB -0.04 0.06 0.09 -0.04 2.12 2.19 1cw1A1 VAL 351 HG13 0.10 0.00 0.03 -0.04 0.97 1.06 1cw1A1 VAL 351 HG23 0.01 -0.02 -0.09 -0.04 0.95 0.81 1cw1A1 ASN 352 H -0.11 0.11 0.17 -0.55 8.53 8.15 1cw1A1 ASN 352 HA -0.19 0.20 0.58 -0.75 4.76 4.59 1cw1A1 ASN 352 HB2 -0.27 -0.05 0.14 -0.04 2.88 2.66 1cw1A1 ASN 352 HB3 -0.15 0.08 0.18 -0.04 2.79 2.86 1cw1A1 ASN 352 HD21 -1.19 0.15 -0.03 -0.04 7.03 5.91 1cw1A1 ASN 352 HD22 -0.52 -0.03 -0.03 -0.04 7.74 7.11 1cw1A1 PRO 353 HA 0.07 0.06 0.63 -0.51 4.44 4.69 1cw1A1 PRO 353 HB2 0.04 0.04 0.09 -0.04 2.28 2.41 1cw1A1 PRO 353 HB3 0.04 -0.00 0.07 -0.04 2.02 2.09 1cw1A1 PRO 353 HG2 0.25 0.07 -0.09 -0.04 2.03 2.22 1cw1A1 PRO 353 HG3 0.13 0.18 0.04 -0.04 2.03 2.35 1cw1A1 PRO 353 HD2 0.07 0.08 0.24 -0.04 3.68 4.03 1cw1A1 PRO 353 HD3 0.04 0.30 0.28 -0.04 3.65 4.23 1cw1A1 GLY 354 H 0.02 0.07 -0.38 -0.55 8.43 7.59 1cw1A1 GLY 354 HA2 0.08 0.09 0.26 -0.51 4.01 3.93 1cw1A1 GLY 354 HA3 0.03 0.12 0.24 -0.51 4.01 3.89 1cw1A1 SER 355 H 0.11 0.26 -0.14 -0.55 8.46 8.14 1cw1A1 SER 355 HA 0.06 0.20 0.08 -0.75 4.49 4.08 1cw1A1 SER 355 HB2 0.19 0.05 -0.22 -0.04 3.95 3.93 1cw1A1 SER 355 HB3 0.23 -0.08 0.11 -0.04 3.93 4.15 1cw1A1 ILE 356 H 0.10 0.11 -0.09 -0.55 8.25 7.83 1cw1A1 ILE 356 HA 0.02 0.10 0.23 -0.75 4.18 3.79 1cw1A1 ILE 356 HB 0.04 -0.08 0.08 -0.04 1.89 1.89 1cw1A1 ILE 356 HG12 0.00 0.02 -0.13 -0.04 1.49 1.34 1cw1A1 ILE 356 HG13 0.02 0.06 -0.06 -0.04 1.21 1.19 1cw1A1 ILE 356 HG23 0.03 0.02 -0.09 -0.04 0.93 0.85 1cw1A1 ILE 356 HD13 0.00 -0.02 -0.17 -0.04 0.88 0.65 1cw1A1 ILE 357 H 0.03 0.41 -0.31 -0.55 8.25 7.83 1cw1A1 ILE 357 HA 0.00 0.03 0.37 -0.75 4.18 3.83 1cw1A1 ILE 357 HB 0.00 0.05 0.03 -0.04 1.89 1.93 1cw1A1 ILE 357 HG12 -0.03 -0.02 -0.03 -0.04 1.49 1.36 1cw1A1 ILE 357 HG13 -0.00 0.02 -0.03 -0.04 1.21 1.15 1cw1A1 ILE 357 HG23 -0.03 0.01 -0.17 -0.04 0.93 0.70 1cw1A1 ILE 357 HD13 -0.04 -0.02 -0.20 -0.04 0.88 0.58 1cw1A1 LEU 358 H 0.03 0.60 -0.14 -0.55 8.37 8.32 1cw1A1 LEU 358 HA 0.04 0.03 0.44 -0.75 4.35 4.11 1cw1A1 LEU 358 HB2 0.04 0.14 0.13 -0.04 1.64 1.91 1cw1A1 LEU 358 HB3 0.08 -0.02 0.07 -0.04 1.64 1.73 1cw1A1 LEU 358 HG -0.04 0.03 0.08 -0.04 1.64 1.67 1cw1A1 LEU 358 HD13 -0.09 0.07 0.04 -0.04 0.93 0.91 1cw1A1 LEU 358 HD23 0.05 -0.02 -0.04 -0.04 0.89 0.84 1cw1A1 SER 359 H 0.05 0.41 -0.37 -0.55 8.46 8.00 1cw1A1 SER 359 HA 0.12 0.05 0.56 -0.75 4.49 4.46 1cw1A1 SER 359 HB2 0.07 0.05 0.03 -0.04 3.95 4.06 1cw1A1 SER 359 HB3 0.15 -0.07 0.08 -0.04 3.93 4.06 1cw1A1 ALA 360 H 0.03 0.40 -0.30 -0.55 8.40 7.99 1cw1A1 ALA 360 HA -0.03 0.03 0.46 -0.75 4.34 4.04 1cw1A1 ALA 360 HB3 0.05 0.05 0.08 -0.04 1.41 1.54 1cw1A1 GLU 361 H 0.03 0.36 -0.28 -0.55 8.60 8.16 1cw1A1 GLU 361 HA 0.03 0.01 0.46 -0.75 4.29 4.04 1cw1A1 GLU 361 HB2 0.06 0.02 0.14 -0.04 2.09 2.26 1cw1A1 GLU 361 HB3 0.04 0.05 0.10 -0.04 1.99 2.14 1cw1A1 GLU 361 HG2 0.08 -0.04 0.01 -0.04 2.34 2.35 1cw1A1 GLU 361 HG3 0.07 0.40 0.12 -0.04 2.34 2.89 1cw1A1 MET 362 H 0.03 0.36 -0.34 -0.55 8.47 7.97 1cw1A1 MET 362 HA 0.09 0.05 0.38 -0.75 4.52 4.28 1cw1A1 MET 362 HB2 0.22 0.16 0.12 -0.04 2.15 2.61 1cw1A1 MET 362 HB3 0.32 -0.04 -0.06 -0.04 2.03 2.21 1cw1A1 MET 362 HG2 0.13 -0.03 -0.03 -0.04 2.63 2.66 1cw1A1 MET 362 HG3 0.11 0.22 0.06 -0.04 2.56 2.91 1cw1A1 MET 362 HE3 0.05 0.02 -0.13 -0.04 2.10 2.00 1cw1A1 MET 363 H -0.36 0.36 -0.36 -0.55 8.47 7.57 1cw1A1 MET 363 HA -1.87 0.03 0.32 -0.75 4.52 2.25 1cw1A1 MET 363 HB2 -0.97 0.02 0.09 -0.04 2.15 1.25 1cw1A1 MET 363 HB3 -0.35 0.14 0.16 -0.04 2.03 1.94 1cw1A1 MET 363 HG2 -0.36 0.01 -0.32 -0.04 2.63 1.92 1cw1A1 MET 363 HG3 -0.61 -0.01 -0.06 -0.04 2.56 1.84 1cw1A1 MET 363 HE3 0.05 -0.01 -0.11 -0.04 2.10 2.00 1cw1A1 LEU 364 H -0.15 0.61 -0.15 -0.55 8.37 8.13 1cw1A1 LEU 364 HA -0.17 0.03 0.33 -0.75 4.35 3.79 1cw1A1 LEU 364 HB2 0.03 0.11 0.15 -0.04 1.64 1.88 1cw1A1 LEU 364 HB3 0.14 0.02 -0.05 -0.04 1.64 1.71 1cw1A1 LEU 364 HG 0.30 -0.05 -0.03 -0.04 1.64 1.82 1cw1A1 LEU 364 HD13 -0.07 0.01 -0.06 -0.04 0.93 0.76 1cw1A1 LEU 364 HD23 0.12 0.01 -0.17 -0.04 0.89 0.81 1cw1A1 ARG 365 H 0.01 0.55 -0.33 -0.55 8.46 8.14 1cw1A1 ARG 365 HA 0.10 -0.08 0.10 -0.75 4.34 3.70 1cw1A1 ARG 365 HB2 0.08 0.09 0.07 -0.04 1.90 2.10 1cw1A1 ARG 365 HB3 0.10 0.11 0.04 -0.04 1.80 2.01 1cw1A1 ARG 365 HG2 0.09 0.02 -0.11 -0.04 1.67 1.63 1cw1A1 ARG 365 HG3 0.08 -0.09 -0.02 -0.04 1.67 1.60 1cw1A1 ARG 365 HD2 0.12 0.01 -0.07 -0.04 3.22 3.24 1cw1A1 ARG 365 HD3 0.08 0.01 -0.06 -0.04 3.22 3.20 1cw1A1 HIS 366 H 0.07 0.55 -0.28 -0.55 8.41 8.20 1cw1A1 HIS 366 HA 0.08 -0.01 0.35 -0.75 4.63 4.29 1cw1A1 HIS 366 HB2 0.20 0.01 0.07 -0.04 3.26 3.50 1cw1A1 HIS 366 HB3 -0.11 0.18 0.12 -0.04 3.20 3.35 1cw1A1 HIS 366 HD2 0.09 0.03 -0.19 -0.04 6.97 6.85 1cw1A1 HIS 366 HE1 0.07 -0.02 -0.06 -0.04 7.75 7.70 1cw1A1 MET 367 H -0.08 0.40 -0.36 -0.55 8.47 7.88 1cw1A1 MET 367 HA -0.16 0.07 0.49 -0.75 4.52 4.17 1cw1A1 MET 367 HB2 -0.49 0.05 0.09 -0.04 2.15 1.76 1cw1A1 MET 367 HB3 -0.76 -0.04 0.08 -0.04 2.03 1.27 1cw1A1 MET 367 HG2 -0.32 -0.01 -0.02 -0.04 2.63 2.24 1cw1A1 MET 367 HG3 -0.20 0.09 -0.03 -0.04 2.56 2.38 1cw1A1 MET 367 HE3 -1.31 -0.01 -0.07 -0.04 2.10 0.67 1cw1A1 GLY 368 H 0.02 0.48 -0.59 -0.55 8.43 7.80 1cw1A1 GLY 368 HA2 0.09 0.04 0.31 -0.51 4.01 3.94 1cw1A1 GLY 368 HA3 0.12 0.12 0.58 -0.51 4.01 4.32 1cw1A1 TRP 369 H 0.24 0.48 -0.27 -0.55 7.97 7.89 1cw1A1 TRP 369 HA 0.09 0.12 0.64 -0.75 4.62 4.72 1cw1A1 TRP 369 HB2 0.04 0.08 0.11 -0.04 3.23 3.42 1cw1A1 TRP 369 HB3 0.20 -0.17 0.10 -0.04 3.23 3.33 1cw1A1 TRP 369 HD1 -0.08 0.01 -0.56 -0.04 7.22 6.54 1cw1A1 TRP 369 HE1 -0.15 0.09 -0.13 -0.04 10.20 9.98 1cw1A1 TRP 369 HE3 0.09 -0.11 -0.04 -0.04 7.59 7.48 1cw1A1 TRP 369 HZ2 -0.15 0.29 -0.04 -0.04 7.44 7.50 1cw1A1 TRP 369 HZ3 -0.05 -0.09 -0.15 -0.04 7.13 6.81 1cw1A1 TRP 369 HH2 -0.13 0.09 -0.21 -0.04 7.19 6.90 1cw1A1 THR 370 H 0.20 0.49 -0.37 -0.55 8.28 8.05 1cw1A1 THR 370 HA 0.13 0.04 0.20 -0.75 4.39 4.01 1cw1A1 THR 370 HB 0.07 0.01 -0.00 -0.04 4.32 4.36 1cw1A1 THR 370 HG23 0.09 0.04 -0.03 -0.04 1.22 1.28 1cw1A1 GLU 371 H 0.15 0.16 -0.19 -0.55 8.60 8.18 1cw1A1 GLU 371 HA 0.00 0.11 0.43 -0.75 4.29 4.07 1cw1A1 GLU 371 HB2 -0.18 -0.04 0.03 -0.04 2.09 1.87 1cw1A1 GLU 371 HB3 -0.17 0.09 -0.00 -0.04 1.99 1.86 1cw1A1 GLU 371 HG2 -0.03 0.09 0.02 -0.04 2.34 2.38 1cw1A1 GLU 371 HG3 0.01 -0.00 0.02 -0.04 2.34 2.32 1cw1A1 ALA 372 H 0.11 0.14 -0.21 -0.55 8.40 7.89 1cw1A1 ALA 372 HA -0.05 0.14 0.36 -0.75 4.34 4.03 1cw1A1 ALA 372 HB3 0.22 0.03 -0.05 -0.04 1.41 1.57 1cw1A1 ALA 373 H 0.14 0.43 -0.24 -0.55 8.40 8.19 1cw1A1 ALA 373 HA 0.07 -0.03 0.41 -0.75 4.34 4.04 1cw1A1 ALA 373 HB3 0.09 0.03 0.02 -0.04 1.41 1.51 1cw1A1 ASP 374 H 0.05 0.62 -0.19 -0.55 8.40 8.34 1cw1A1 ASP 374 HA 0.04 -0.02 0.40 -0.75 4.63 4.30 1cw1A1 ASP 374 HB2 0.01 0.15 0.19 -0.04 2.71 3.03 1cw1A1 ASP 374 HB3 0.01 -0.04 0.01 -0.04 2.70 2.64 1cw1A1 LEU 375 H 0.00 0.43 -0.29 -0.55 8.37 7.96 1cw1A1 LEU 375 HA -0.01 0.08 0.48 -0.75 4.35 4.15 1cw1A1 LEU 375 HB2 -0.03 0.11 0.25 -0.04 1.64 1.93 1cw1A1 LEU 375 HB3 -0.02 -0.07 0.01 -0.04 1.64 1.52 1cw1A1 LEU 375 HG -0.04 0.03 0.05 -0.04 1.64 1.63 1cw1A1 LEU 375 HD13 -0.04 0.02 0.00 -0.04 0.93 0.87 1cw1A1 LEU 375 HD23 -0.11 0.00 -0.02 -0.04 0.89 0.72 1cw1A1 ILE 376 H 0.02 0.46 -0.14 -0.55 8.25 8.04 1cw1A1 ILE 376 HA -0.01 0.02 0.36 -0.75 4.18 3.80 1cw1A1 ILE 376 HB 0.04 0.14 0.15 -0.04 1.89 2.18 1cw1A1 ILE 376 HG12 0.01 -0.04 -0.07 -0.04 1.49 1.35 1cw1A1 ILE 376 HG13 0.04 0.19 0.03 -0.04 1.21 1.42 1cw1A1 ILE 376 HG23 0.01 -0.01 -0.18 -0.04 0.93 0.70 1cw1A1 ILE 376 HD13 0.05 -0.02 -0.13 -0.04 0.88 0.74 1cw1A1 VAL 377 H 0.05 0.53 -0.12 -0.55 8.24 8.15 1cw1A1 VAL 377 HA 0.14 -0.03 0.35 -0.75 4.13 3.83 1cw1A1 VAL 377 HB 0.06 0.15 0.14 -0.04 2.12 2.44 1cw1A1 VAL 377 HG13 0.11 -0.01 -0.08 -0.04 0.97 0.94 1cw1A1 VAL 377 HG23 0.09 0.06 0.02 -0.04 0.95 1.08 1cw1A1 LYS 378 H 0.03 0.59 -0.17 -0.55 8.42 8.32 1cw1A1 LYS 378 HA 0.04 -0.05 0.41 -0.75 4.32 3.97 1cw1A1 LYS 378 HB2 0.01 -0.00 0.15 -0.04 1.87 1.99 1cw1A1 LYS 378 HB3 0.00 0.14 0.21 -0.04 1.79 2.10 1cw1A1 LYS 378 HG2 -0.00 0.22 -0.02 -0.04 1.46 1.62 1cw1A1 LYS 378 HG3 0.01 -0.12 0.09 -0.04 1.46 1.39 1cw1A1 LYS 378 HD2 -0.00 -0.09 0.02 -0.04 1.69 1.57 1cw1A1 LYS 378 HD3 -0.01 0.21 0.06 -0.04 1.68 1.90 1cw1A1 LYS 378 HE2 -0.01 0.07 0.02 -0.04 2.99 3.03 1cw1A1 LYS 378 HE3 -0.00 -0.10 0.02 -0.04 2.99 2.86 1cw1A1 GLY 379 H -0.00 0.57 -0.21 -0.55 8.43 8.24 1cw1A1 GLY 379 HA2 -0.04 0.03 0.16 -0.51 4.01 3.65 1cw1A1 GLY 379 HA3 -0.06 0.07 0.24 -0.51 4.01 3.75 1cw1A1 MET 380 H -0.01 0.69 -0.07 -0.55 8.47 8.53 1cw1A1 MET 380 HA -0.14 -0.07 0.40 -0.75 4.52 3.96 1cw1A1 MET 380 HB2 -0.07 0.02 0.09 -0.04 2.15 2.14 1cw1A1 MET 380 HB3 0.05 0.13 0.14 -0.04 2.03 2.31 1cw1A1 MET 380 HG2 -0.50 0.01 -0.02 -0.04 2.63 2.08 1cw1A1 MET 380 HG3 -0.40 -0.00 -0.13 -0.04 2.56 1.99 1cw1A1 MET 380 HE3 -0.06 0.01 -0.01 -0.04 2.10 2.00 1cw1A1 GLU 381 H 0.13 0.68 -0.08 -0.55 8.60 8.78 1cw1A1 GLU 381 HA 0.26 -0.04 0.38 -0.75 4.29 4.13 1cw1A1 GLU 381 HB2 0.08 0.15 0.17 -0.04 2.09 2.45 1cw1A1 GLU 381 HB3 0.08 -0.07 0.03 -0.04 1.99 1.99 1cw1A1 GLU 381 HG2 0.13 -0.10 0.06 -0.04 2.34 2.39 1cw1A1 GLU 381 HG3 0.26 0.21 0.10 -0.04 2.34 2.86 1cw1A1 GLY 382 H 0.03 0.60 -0.17 -0.55 8.43 8.34 1cw1A1 GLY 382 HA2 0.03 -0.01 0.43 -0.51 4.01 3.94 1cw1A1 GLY 382 HA3 0.01 0.13 0.35 -0.51 4.01 3.98 1cw1A1 ALA 383 H -0.03 0.65 -0.06 -0.55 8.40 8.41 1cw1A1 ALA 383 HA 0.01 0.00 0.37 -0.75 4.34 3.96 1cw1A1 ALA 383 HB3 -0.13 0.02 -0.03 -0.04 1.41 1.22 1cw1A1 ILE 384 H 0.09 0.61 -0.12 -0.55 8.25 8.29 1cw1A1 ILE 384 HA 0.15 -0.06 0.31 -0.75 4.18 3.82 1cw1A1 ILE 384 HB 0.13 0.13 0.08 -0.04 1.89 2.19 1cw1A1 ILE 384 HG12 0.05 -0.13 -0.03 -0.04 1.49 1.34 1cw1A1 ILE 384 HG13 0.15 0.07 0.06 -0.04 1.21 1.45 1cw1A1 ILE 384 HG23 0.19 0.03 -0.29 -0.04 0.93 0.81 1cw1A1 ILE 384 HD13 -0.02 -0.03 -0.07 -0.04 0.88 0.72 1cw1A1 ASN 385 H 0.07 0.53 -0.14 -0.55 8.53 8.45 1cw1A1 ASN 385 HA 0.06 0.03 0.35 -0.75 4.76 4.44 1cw1A1 ASN 385 HB2 0.05 0.08 0.16 -0.04 2.88 3.12 1cw1A1 ASN 385 HB3 0.04 0.06 0.13 -0.04 2.79 2.98 1cw1A1 ASN 385 HD21 0.04 -0.09 -0.03 -0.04 7.03 6.91 1cw1A1 ASN 385 HD22 0.04 0.05 -0.13 -0.04 7.74 7.65 1cw1A1 ALA 386 H 0.05 0.42 -0.43 -0.55 8.40 7.89 1cw1A1 ALA 386 HA 0.03 0.01 0.48 -0.75 4.34 4.11 1cw1A1 ALA 386 HB3 0.03 -0.01 0.10 -0.04 1.41 1.49 1cw1A1 LYS 387 H 0.07 0.50 -0.54 -0.55 8.42 7.90 1cw1A1 LYS 387 HA 0.07 0.07 0.27 -0.75 4.32 3.99 1cw1A1 LYS 387 HB2 0.04 0.14 0.14 -0.04 1.87 2.14 1cw1A1 LYS 387 HB3 0.04 -0.15 0.18 -0.04 1.79 1.82 1cw1A1 LYS 387 HG2 0.05 0.15 -0.08 -0.04 1.46 1.54 1cw1A1 LYS 387 HG3 0.04 0.04 -0.26 -0.04 1.46 1.24 1cw1A1 LYS 387 HD2 0.04 -0.05 -0.03 -0.04 1.69 1.60 1cw1A1 LYS 387 HD3 0.03 -0.05 -0.00 -0.04 1.68 1.62 1cw1A1 LYS 387 HE2 0.02 -0.06 0.01 -0.04 2.99 2.92 1cw1A1 LYS 387 HE3 0.03 0.19 -0.03 -0.04 2.99 3.13 1cw1A1 THR 388 H 0.08 0.46 -0.25 -0.55 8.28 8.02 1cw1A1 THR 388 HA 0.04 0.13 0.82 -0.75 4.39 4.63 1cw1A1 THR 388 HB 0.06 -0.09 0.01 -0.04 4.32 4.26 1cw1A1 THR 388 HG23 0.03 0.04 -0.10 -0.04 1.22 1.14 1cw1A1 VAL 389 H 0.00 0.53 0.08 -0.55 8.24 8.30 1cw1A1 VAL 389 HA -0.18 0.16 0.89 -0.75 4.13 4.25 1cw1A1 VAL 389 HB -0.48 -0.18 0.07 -0.04 2.12 1.49 1cw1A1 VAL 389 HG13 -0.07 0.02 -0.31 -0.04 0.97 0.58 1cw1A1 VAL 389 HG23 0.05 0.02 -0.23 -0.04 0.95 0.75 1cw1A1 THR 390 H -0.73 0.08 0.13 -0.55 8.28 7.21 1cw1A1 THR 390 HA -0.11 0.50 0.64 -0.75 4.39 4.66 1cw1A1 THR 390 HB -0.13 0.03 0.10 -0.04 4.32 4.27 1cw1A1 THR 390 HG23 -0.24 0.05 -0.20 -0.04 1.22 0.78 1cw1A1 TYR 391 H 0.14 0.29 0.21 -0.55 8.29 8.38 1cw1A1 TYR 391 HA -0.06 0.10 0.33 -0.75 4.56 4.17 1cw1A1 TYR 391 HB2 -0.09 0.05 0.07 -0.04 3.06 3.05 1cw1A1 TYR 391 HB3 -0.12 0.07 0.17 -0.04 2.98 3.05 1cw1A1 TYR 391 HD2 -0.15 0.15 -0.05 -0.04 7.15 7.07 1cw1A1 TYR 391 HE2 -0.20 -0.04 -0.08 -0.04 6.85 6.49 1cw1A1 ASP 392 H -0.99 0.05 -0.15 -0.55 8.40 6.75 1cw1A1 ASP 392 HA -0.60 0.09 0.35 -0.75 4.63 3.72 1cw1A1 ASP 392 HB2 -0.22 0.09 0.02 -0.04 2.71 2.57 1cw1A1 ASP 392 HB3 -0.76 -0.06 0.09 -0.04 2.70 1.93 1cw1A1 PHE 393 H -0.01 0.20 -0.36 -0.55 8.34 7.60 1cw1A1 PHE 393 HA -0.13 0.20 0.67 -0.75 4.62 4.60 1cw1A1 PHE 393 HB2 -0.21 -0.04 0.08 -0.04 3.15 2.94 1cw1A1 PHE 393 HB3 -0.12 0.12 -0.09 -0.04 3.06 2.93 1cw1A1 PHE 393 HD2 -0.16 -0.05 -0.14 -0.04 7.28 6.89 1cw1A1 PHE 393 HE2 -0.11 -0.04 -0.05 -0.04 7.38 7.14 1cw1A1 PHE 393 HZ -0.10 0.01 -0.03 -0.04 7.32 7.17 1cw1A1 GLU 394 H 0.02 0.44 -0.02 -0.55 8.60 8.49 1cw1A1 GLU 394 HA 0.03 0.06 0.24 -0.75 4.29 3.87 1cw1A1 GLU 394 HB2 0.00 0.11 -0.17 -0.04 2.09 1.99 1cw1A1 GLU 394 HB3 0.02 -0.07 -0.01 -0.04 1.99 1.89 1cw1A1 GLU 394 HG2 0.02 0.01 -0.20 -0.04 2.34 2.13 1cw1A1 GLU 394 HG3 0.01 -0.07 -0.23 -0.04 2.34 2.01 1cw1A1 ARG 395 H -0.01 0.59 -0.20 -0.55 8.46 8.29 1cw1A1 ARG 395 HA 0.02 0.00 0.34 -0.75 4.34 3.95 1cw1A1 ARG 395 HB2 -0.02 0.06 -0.06 -0.04 1.90 1.84 1cw1A1 ARG 395 HB3 0.02 -0.06 0.02 -0.04 1.80 1.74 1cw1A1 ARG 395 HG2 0.06 0.51 0.05 -0.04 1.67 2.25 1cw1A1 ARG 395 HG3 0.14 -0.12 -0.06 -0.04 1.67 1.59 1cw1A1 ARG 395 HD2 0.06 0.00 0.02 -0.04 3.22 3.26 1cw1A1 ARG 395 HD3 0.06 0.00 -0.02 -0.04 3.22 3.22 1cw1A1 LEU 396 H -0.03 0.46 -0.45 -0.55 8.37 7.81 1cw1A1 LEU 396 HA -0.03 0.09 0.81 -0.75 4.35 4.47 1cw1A1 LEU 396 HB2 -0.09 0.14 0.12 -0.04 1.64 1.77 1cw1A1 LEU 396 HB3 -0.06 -0.06 0.16 -0.04 1.64 1.64 1cw1A1 LEU 396 HG -0.07 -0.03 -0.06 -0.04 1.64 1.44 1cw1A1 LEU 396 HD13 -0.12 -0.01 0.04 -0.04 0.93 0.80 1cw1A1 LEU 396 HD23 -0.04 -0.01 -0.06 -0.04 0.89 0.73 1cw1A1 MET 397 H -0.01 0.53 -0.23 -0.55 8.47 8.22 1cw1A1 MET 397 HA -0.01 0.16 0.99 -0.75 4.52 4.91 1cw1A1 MET 397 HB2 0.02 -0.06 -0.09 -0.04 2.15 1.98 1cw1A1 MET 397 HB3 0.01 0.03 0.01 -0.04 2.03 2.04 1cw1A1 MET 397 HG2 -0.01 0.04 -0.14 -0.04 2.63 2.47 1cw1A1 MET 397 HG3 -0.02 0.06 -0.35 -0.04 2.56 2.21 1cw1A1 MET 397 HE3 0.05 0.04 -0.02 -0.04 2.10 2.13 1cw1A1 ASP 398 H 0.01 0.25 0.18 -0.55 8.40 8.29 1cw1A1 ASP 398 HA 0.01 0.13 0.89 -0.75 4.63 4.91 1cw1A1 ASP 398 HB2 0.00 0.02 0.12 -0.04 2.71 2.81 1cw1A1 ASP 398 HB3 0.01 -0.02 0.04 -0.04 2.70 2.68 1cw1A1 GLY 399 H 0.01 0.12 0.16 -0.55 8.43 8.17 1cw1A1 GLY 399 HA2 0.01 -0.02 0.33 -0.51 4.01 3.83 1cw1A1 GLY 399 HA3 0.01 0.08 0.43 -0.51 4.01 4.03 1cw1A1 ALA 400 H 0.02 0.02 -0.19 -0.55 8.40 7.69 1cw1A1 ALA 400 HA 0.03 0.33 0.90 -0.75 4.34 4.85 1cw1A1 ALA 400 HB3 0.03 0.00 -0.08 -0.04 1.41 1.32 1cw1A1 LYS 401 H 0.03 0.90 0.40 -0.55 8.42 9.19 1cw1A1 LYS 401 HA 0.01 0.05 0.86 -0.75 4.32 4.49 1cw1A1 LYS 401 HB2 0.02 0.04 0.05 -0.04 1.87 1.94 1cw1A1 LYS 401 HB3 0.02 0.01 0.22 -0.04 1.79 2.00 1cw1A1 LYS 401 HG2 0.02 0.07 -0.25 -0.04 1.46 1.25 1cw1A1 LYS 401 HG3 0.01 -0.04 0.02 -0.04 1.46 1.41 1cw1A1 LYS 401 HD2 0.01 0.02 -0.02 -0.04 1.69 1.67 1cw1A1 LYS 401 HD3 0.02 -0.01 -0.05 -0.04 1.68 1.60 1cw1A1 LYS 401 HE2 0.01 -0.01 -0.06 -0.04 2.99 2.88 1cw1A1 LYS 401 HE3 0.01 -0.02 -0.02 -0.04 2.99 2.92 1cw1A1 LEU 402 H 0.01 0.13 0.12 -0.55 8.37 8.08 1cw1A1 LEU 402 HA 0.00 0.19 0.56 -0.75 4.35 4.34 1cw1A1 LEU 402 HB2 0.01 0.02 0.05 -0.04 1.64 1.68 1cw1A1 LEU 402 HB3 0.01 -0.03 0.12 -0.04 1.64 1.70 1cw1A1 LEU 402 HG 0.00 -0.01 -0.37 -0.04 1.64 1.22 1cw1A1 LEU 402 HD13 0.03 0.00 -0.01 -0.04 0.93 0.91 1cw1A1 LEU 402 HD23 0.00 -0.01 -0.04 -0.04 0.89 0.80 1cw1A1 LEU 403 H -0.01 0.61 0.29 -0.55 8.37 8.71 1cw1A1 LEU 403 HA 0.01 0.12 0.85 -0.75 4.35 4.58 1cw1A1 LEU 403 HB2 0.04 0.08 -0.31 -0.04 1.64 1.41 1cw1A1 LEU 403 HB3 0.07 0.00 -0.28 -0.04 1.64 1.39 1cw1A1 LEU 403 HG 0.04 -0.10 -0.16 -0.04 1.64 1.38 1cw1A1 LEU 403 HD13 0.03 0.09 -0.34 -0.04 0.93 0.67 1cw1A1 LEU 403 HD23 0.11 0.01 -0.36 -0.04 0.89 0.61 1cw1A1 LYS 404 H 0.01 0.09 0.13 -0.55 8.42 8.10 1cw1A1 LYS 404 HA -0.01 0.17 0.69 -0.75 4.32 4.42 1cw1A1 LYS 404 HB2 0.00 -0.25 0.12 -0.04 1.87 1.71 1cw1A1 LYS 404 HB3 -0.01 0.33 0.35 -0.04 1.79 2.43 1cw1A1 LYS 404 HG2 -0.01 0.04 0.05 -0.04 1.46 1.50 1cw1A1 LYS 404 HG3 -0.00 -0.01 0.11 -0.04 1.46 1.51 1cw1A1 LYS 404 HD2 -0.01 0.02 0.05 -0.04 1.69 1.71 1cw1A1 LYS 404 HD3 -0.01 -0.06 0.08 -0.04 1.68 1.65 1cw1A1 LYS 404 HE2 -0.02 0.10 0.17 -0.04 2.99 3.20 1cw1A1 LYS 404 HE3 -0.02 -0.01 0.06 -0.04 2.99 2.97 1cw1A1 CYS 405 H -0.00 0.62 0.05 -0.55 8.50 8.62 1cw1A1 CYS 405 HA 0.03 0.13 0.33 -0.75 4.58 4.31 1cw1A1 CYS 405 HB2 0.00 0.01 -0.27 -0.04 2.97 2.67 1cw1A1 CYS 405 HB3 0.01 -0.13 -0.04 -0.04 2.97 2.76 1cw1A1 SER 406 H 0.01 0.15 -0.05 -0.55 8.46 8.02 1cw1A1 SER 406 HA -0.00 0.09 0.39 -0.75 4.49 4.22 1cw1A1 SER 406 HB2 -0.01 0.08 0.01 -0.04 3.95 3.99 1cw1A1 SER 406 HB3 -0.01 0.04 0.10 -0.04 3.93 4.02 1cw1A1 GLU 407 H 0.02 0.04 -0.36 -0.55 8.60 7.75 1cw1A1 GLU 407 HA 0.00 0.08 0.38 -0.75 4.29 4.00 1cw1A1 GLU 407 HB2 0.03 -0.00 0.07 -0.04 2.09 2.15 1cw1A1 GLU 407 HB3 0.02 0.10 0.01 -0.04 1.99 2.09 1cw1A1 GLU 407 HG2 0.00 0.07 0.02 -0.04 2.34 2.39 1cw1A1 GLU 407 HG3 0.01 -0.10 0.05 -0.04 2.34 2.25 1cw1A1 PHE 408 H 0.14 0.47 -0.34 -0.55 8.34 8.05 1cw1A1 PHE 408 HA -0.07 0.14 0.43 -0.75 4.62 4.37 1cw1A1 PHE 408 HB2 -0.09 0.01 -0.06 -0.04 3.15 2.97 1cw1A1 PHE 408 HB3 -0.09 0.08 0.08 -0.04 3.06 3.09 1cw1A1 PHE 408 HD2 -0.12 0.08 0.00 -0.04 7.28 7.20 1cw1A1 PHE 408 HE2 -0.18 0.04 -0.07 -0.04 7.38 7.13 1cw1A1 PHE 408 HZ -0.26 0.08 -0.02 -0.04 7.32 7.08 1cw1A1 GLY 409 H 0.01 0.34 -0.25 -0.55 8.43 7.99 1cw1A1 GLY 409 HA2 -0.19 0.02 0.39 -0.51 4.01 3.72 1cw1A1 GLY 409 HA3 -0.07 0.05 0.34 -0.51 4.01 3.81 1cw1A1 ASP 410 H -0.06 0.39 -0.18 -0.55 8.40 8.01 1cw1A1 ASP 410 HA -0.07 0.01 0.33 -0.75 4.63 4.15 1cw1A1 ASP 410 HB2 -0.03 0.15 0.16 -0.04 2.71 2.94 1cw1A1 ASP 410 HB3 -0.04 -0.00 -0.03 -0.04 2.70 2.59 1cw1A1 ALA 411 H -0.11 0.45 -0.21 -0.55 8.40 7.99 1cw1A1 ALA 411 HA -0.07 0.00 0.37 -0.75 4.34 3.88 1cw1A1 ALA 411 HB3 -0.11 0.03 0.10 -0.04 1.41 1.39 1cw1A1 ILE 412 H -0.37 0.48 -0.31 -0.55 8.25 7.50 1cw1A1 ILE 412 HA -0.24 0.16 0.29 -0.75 4.18 3.64 1cw1A1 ILE 412 HB -0.26 0.17 0.16 -0.04 1.89 1.92 1cw1A1 ILE 412 HG12 -0.53 -0.01 -0.12 -0.04 1.49 0.79 1cw1A1 ILE 412 HG13 -1.03 0.24 0.04 -0.04 1.21 0.42 1cw1A1 ILE 412 HG23 -0.14 -0.04 -0.18 -0.04 0.93 0.52 1cw1A1 ILE 412 HD13 -0.41 -0.06 -0.09 -0.04 0.88 0.29 1cw1A1 ILE 413 H -0.13 0.45 -0.09 -0.55 8.25 7.93 1cw1A1 ILE 413 HA -0.06 0.00 0.33 -0.75 4.18 3.70 1cw1A1 ILE 413 HB -0.06 0.12 0.19 -0.04 1.89 2.10 1cw1A1 ILE 413 HG12 -0.04 -0.01 0.06 -0.04 1.49 1.46 1cw1A1 ILE 413 HG13 -0.08 0.10 0.08 -0.04 1.21 1.27 1cw1A1 ILE 413 HG23 -0.03 -0.02 -0.10 -0.04 0.93 0.73 1cw1A1 ILE 413 HD13 -0.04 -0.04 -0.15 -0.04 0.88 0.61 1cw1A1 GLU 414 H -0.07 0.66 -0.13 -0.55 8.60 8.51 1cw1A1 GLU 414 HA -0.03 -0.04 0.32 -0.75 4.29 3.79 1cw1A1 GLU 414 HB2 -0.05 0.14 0.09 -0.04 2.09 2.24 1cw1A1 GLU 414 HB3 -0.03 -0.06 0.04 -0.04 1.99 1.89 1cw1A1 GLU 414 HG2 -0.03 -0.07 0.00 -0.04 2.34 2.20 1cw1A1 GLU 414 HG3 -0.04 0.18 0.02 -0.04 2.34 2.46 1cw1A1 ASN 415 H -0.07 0.43 -0.49 -0.55 8.53 7.86 1cw1A1 ASN 415 HA -0.03 0.11 0.85 -0.75 4.76 4.93 1cw1A1 ASN 415 HB2 -0.06 0.19 0.25 -0.04 2.88 3.21 1cw1A1 ASN 415 HB3 -0.02 -0.05 0.23 -0.04 2.79 2.91 1cw1A1 ASN 415 HD21 -0.02 -0.09 -0.13 -0.04 7.03 6.74 1cw1A1 ASN 415 HD22 -0.06 0.68 0.06 -0.04 7.74 8.37 1cw1A1 MET 416 H -0.04 0.50 -0.30 -0.55 8.47 8.08 1cw1A1 MET 416 HA -0.02 0.09 0.32 -0.75 4.52 4.16 1cw1A1 MET 416 HB2 -0.03 0.18 0.12 -0.04 2.15 2.37 1cw1A1 MET 416 HB3 -0.03 -0.10 0.06 -0.04 2.03 1.92 1cw1A1 MET 416 HG2 -0.03 0.08 -0.13 -0.04 2.63 2.51 1cw1A1 MET 416 HG3 -0.05 0.19 -0.01 -0.04 2.56 2.65 1cw1A1 MET 416 HE3 -0.03 0.00 -0.11 -0.04 2.10 1.92