============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 3 1.000 33.427 62.283 16.245 -99.200 -91.000 HIS 6 0.900 38.744 58.403 11.949 -99.200 -91.000 TYR 17 0.840 42.607 36.396 20.371 -99.200 -91.000 TYR 20 0.840 43.826 43.908 22.781 -99.200 -91.000 PHE 24 1.000 49.819 40.791 24.913 -99.200 -91.000 PHE 27 1.000 56.798 43.553 24.800 -99.200 -91.000 TYR 38 0.840 69.248 43.237 28.487 -99.200 -91.000 TYR 60 0.840 89.434 42.200 47.569 -99.200 -91.000 TYR 70 0.840 70.597 45.655 37.334 -99.200 -91.000 PHE 81 1.000 66.153 58.433 44.099 -99.200 -91.000 PHE 98 1.000 70.344 35.980 48.555 -99.200 -91.000 PHE 106 1.000 82.462 31.830 44.121 -99.200 -91.000 PHE 112 1.000 71.989 29.827 37.506 -99.200 -91.000 TYR 114 0.840 74.518 40.752 34.961 -99.200 -91.000 PHE 117 1.000 67.782 40.632 41.858 -99.200 -91.000 TYR 153 0.840 58.247 63.987 4.071 -99.200 -91.000 TRP 155 1.040 64.135 64.022 6.897 -99.200 -91.000 TRP6 155 1.020 65.337 62.510 8.287 -99.200 -91.000 TYR 163 0.840 65.789 66.445 19.065 -99.200 -91.000 TRP 166 1.040 63.105 71.385 11.369 -99.200 -91.000 TRP6 166 1.020 61.257 69.848 11.387 -99.200 -91.000 TYR 174 0.840 61.919 50.325 3.108 -99.200 -91.000 PHE 179 1.000 67.485 56.290 13.122 -99.200 -91.000 TRP 185 1.040 51.862 69.389 6.538 -99.200 -91.000 TRP6 185 1.020 52.278 68.172 8.523 -99.200 -91.000 HIS 191 0.900 54.139 78.398 5.318 -99.200 -91.000 TYR 196 0.840 55.838 62.005 16.409 -99.200 -91.000 PHE 212 1.000 55.126 73.292 17.820 -99.200 -91.000 TYR 222 0.840 52.473 74.596 21.674 -99.200 -91.000 HIS 240 0.900 49.559 52.435 30.655 -99.200 -91.000 TRP 241 1.040 40.494 56.754 28.860 -99.200 -91.000 TRP6 241 1.020 40.576 58.570 27.343 -99.200 -91.000 PHE 255 1.000 48.037 75.285 25.317 -99.200 -91.000 PHE 266 1.000 43.920 57.615 24.027 -99.200 -91.000 HIS 273 0.900 31.617 48.899 25.537 -99.200 -91.000 TRP 280 1.040 30.302 57.475 20.510 -99.200 -91.000 TRP6 280 1.020 31.077 57.400 18.270 -99.200 -91.000 TRP 306 1.040 40.954 66.492 11.124 -99.200 -91.000 TRP6 306 1.020 41.929 66.453 13.290 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dc1A1 LYS 5 HA -0.18 0.08 0.26 -0.75 4.32 3.72 1dc1A1 LYS 5 HB2 -0.53 -0.03 0.10 -0.04 1.87 1.37 1dc1A1 LYS 5 HB3 -1.45 -0.12 0.01 -0.04 1.79 0.20 1dc1A1 LYS 5 HG2 0.11 0.08 0.02 -0.04 1.46 1.63 1dc1A1 LYS 5 HG3 -0.06 0.05 0.07 -0.04 1.46 1.49 1dc1A1 LYS 5 HD2 -0.08 0.00 0.04 -0.04 1.69 1.60 1dc1A1 LYS 5 HD3 -0.19 -0.07 0.03 -0.04 1.68 1.41 1dc1A1 LYS 5 HE2 0.03 0.13 0.05 -0.04 2.99 3.16 1dc1A1 LYS 5 HE3 -0.03 0.00 0.04 -0.04 2.99 2.96 1dc1A1 PRO 6 HA -0.24 0.06 0.39 -0.51 4.44 4.14 1dc1A1 PRO 6 HB2 -1.12 -0.02 -0.02 -0.04 2.28 1.07 1dc1A1 PRO 6 HB3 -1.05 0.05 0.09 -0.04 2.02 1.06 1dc1A1 PRO 6 HG2 -0.43 0.25 0.19 -0.04 2.03 2.00 1dc1A1 PRO 6 HG3 -0.29 0.07 0.09 -0.04 2.03 1.86 1dc1A1 PRO 6 HD2 -0.11 0.15 0.25 -0.04 3.68 3.93 1dc1A1 PRO 6 HD3 -0.07 0.17 0.18 -0.04 3.65 3.88 1dc1A1 PHE 7 H -0.14 0.28 -0.14 -0.55 8.34 7.79 1dc1A1 PHE 7 HA -0.58 0.02 0.42 -0.75 4.62 3.72 1dc1A1 PHE 7 HB2 -0.25 -0.07 0.06 -0.04 3.15 2.85 1dc1A1 PHE 7 HB3 -0.28 0.03 0.13 -0.04 3.06 2.90 1dc1A1 PHE 7 HD2 -0.23 0.05 -0.16 -0.04 7.28 6.89 1dc1A1 PHE 7 HE2 -0.55 0.07 -0.10 -0.04 7.38 6.77 1dc1A1 PHE 7 HZ -0.44 0.02 -0.18 -0.04 7.32 6.68 1dc1A1 GLU 8 H -0.88 0.63 -0.37 -0.55 8.60 7.44 1dc1A1 GLU 8 HA -0.23 0.18 0.49 -0.75 4.29 3.98 1dc1A1 GLU 8 HB2 -0.45 0.31 0.11 -0.04 2.09 2.02 1dc1A1 GLU 8 HB3 -0.24 -0.08 0.08 -0.04 1.99 1.72 1dc1A1 GLU 8 HG2 -0.36 -0.02 0.04 -0.04 2.34 1.96 1dc1A1 GLU 8 HG3 -1.66 -0.10 -0.01 -0.04 2.34 0.53 1dc1A1 ASN 9 H -0.24 0.46 -0.39 -0.55 8.53 7.81 1dc1A1 ASN 9 HA -0.04 0.04 0.45 -0.75 4.76 4.46 1dc1A1 ASN 9 HB2 0.09 0.09 0.08 -0.04 2.88 3.10 1dc1A1 ASN 9 HB3 0.06 0.00 0.03 -0.04 2.79 2.84 1dc1A1 ASN 9 HD21 0.01 -0.03 0.01 -0.04 7.03 6.98 1dc1A1 ASN 9 HD22 0.05 -0.01 0.04 -0.04 7.74 7.79 1dc1A1 HIS 10 H -0.37 0.31 -0.17 -0.55 8.41 7.63 1dc1A1 HIS 10 HA 0.02 0.18 0.86 -0.75 4.63 4.93 1dc1A1 HIS 10 HB2 0.02 -0.15 0.06 -0.04 3.26 3.15 1dc1A1 HIS 10 HB3 0.01 0.05 -0.08 -0.04 3.20 3.14 1dc1A1 HIS 10 HD2 0.05 -0.15 -0.04 -0.04 6.97 6.79 1dc1A1 HIS 10 HE1 -0.08 -0.02 -0.16 -0.04 7.75 7.45 1dc1A1 LEU 11 H -0.11 0.45 0.04 -0.55 8.37 8.21 1dc1A1 LEU 11 HA 0.09 0.05 0.93 -0.75 4.35 4.66 1dc1A1 LEU 11 HB2 0.43 0.10 0.00 -0.04 1.64 2.13 1dc1A1 LEU 11 HB3 0.42 -0.08 -0.12 -0.04 1.64 1.82 1dc1A1 LEU 11 HG -0.06 0.03 -0.18 -0.04 1.64 1.38 1dc1A1 LEU 11 HD13 0.21 -0.01 -0.12 -0.04 0.93 0.97 1dc1A1 LEU 11 HD23 0.15 0.01 -0.16 -0.04 0.89 0.85 1dc1A1 LYS 12 H 0.03 0.02 0.11 -0.55 8.42 8.04 1dc1A1 LYS 12 HA 0.18 0.33 0.94 -0.75 4.32 5.01 1dc1A1 LYS 12 HB2 -0.00 -0.09 -0.02 -0.04 1.87 1.72 1dc1A1 LYS 12 HB3 0.04 0.03 0.07 -0.04 1.79 1.89 1dc1A1 LYS 12 HG2 0.03 0.10 -0.10 -0.04 1.46 1.45 1dc1A1 LYS 12 HG3 0.04 -0.04 -0.24 -0.04 1.46 1.17 1dc1A1 LYS 12 HD2 0.00 -0.02 -0.03 -0.04 1.69 1.60 1dc1A1 LYS 12 HD3 0.01 0.05 -0.05 -0.04 1.68 1.64 1dc1A1 LYS 12 HE2 -0.01 -0.10 0.02 -0.04 2.99 2.86 1dc1A1 LYS 12 HE3 -0.01 -0.03 -0.02 -0.04 2.99 2.89 1dc1A1 SER 13 H -0.19 0.08 0.15 -0.55 8.46 7.95 1dc1A1 SER 13 HA -0.69 0.29 0.70 -0.75 4.49 4.04 1dc1A1 SER 13 HB2 -0.31 -0.06 0.13 -0.04 3.95 3.67 1dc1A1 SER 13 HB3 -0.16 0.19 -0.14 -0.04 3.93 3.77 1dc1A1 VAL 14 H -1.06 0.24 0.11 -0.55 8.24 6.98 1dc1A1 VAL 14 HA -0.96 0.15 0.33 -0.75 4.13 2.91 1dc1A1 VAL 14 HB -0.82 0.10 0.07 -0.04 2.12 1.43 1dc1A1 VAL 14 HG13 -0.28 0.00 0.04 -0.04 0.97 0.69 1dc1A1 VAL 14 HG23 -0.32 0.02 -0.32 -0.04 0.95 0.28 1dc1A1 ASP 15 H -0.28 0.11 -0.24 -0.55 8.40 7.44 1dc1A1 ASP 15 HA -0.10 0.10 0.48 -0.75 4.63 4.35 1dc1A1 ASP 15 HB2 -0.09 0.02 0.05 -0.04 2.71 2.65 1dc1A1 ASP 15 HB3 -0.04 0.06 0.07 -0.04 2.70 2.75 1dc1A1 ASP 16 H -0.21 0.36 -0.43 -0.55 8.40 7.57 1dc1A1 ASP 16 HA -0.05 0.07 0.48 -0.75 4.63 4.37 1dc1A1 ASP 16 HB2 -0.09 0.24 0.17 -0.04 2.71 2.98 1dc1A1 ASP 16 HB3 0.00 0.11 0.12 -0.04 2.70 2.89 1dc1A1 LEU 17 H -0.11 0.36 -0.37 -0.55 8.37 7.70 1dc1A1 LEU 17 HA -0.00 0.08 0.51 -0.75 4.35 4.19 1dc1A1 LEU 17 HB2 -0.09 0.18 0.07 -0.04 1.64 1.75 1dc1A1 LEU 17 HB3 -0.05 -0.11 -0.07 -0.04 1.64 1.38 1dc1A1 LEU 17 HG 0.06 0.02 -0.12 -0.04 1.64 1.56 1dc1A1 LEU 17 HD13 0.03 0.00 -0.06 -0.04 0.93 0.86 1dc1A1 LEU 17 HD23 0.06 -0.01 -0.19 -0.04 0.89 0.71 1dc1A1 LYS 18 H -0.05 0.22 -0.36 -0.55 8.42 7.67 1dc1A1 LYS 18 HA -0.02 0.08 0.36 -0.75 4.32 4.00 1dc1A1 LYS 18 HB2 -0.01 -0.10 0.05 -0.04 1.87 1.77 1dc1A1 LYS 18 HB3 0.00 0.05 0.03 -0.04 1.79 1.82 1dc1A1 LYS 18 HG2 0.06 0.20 0.11 -0.04 1.46 1.79 1dc1A1 LYS 18 HG3 0.04 -0.19 -0.13 -0.04 1.46 1.14 1dc1A1 LYS 18 HD2 0.06 0.05 -0.01 -0.04 1.69 1.75 1dc1A1 LYS 18 HD3 0.09 -0.14 0.05 -0.04 1.68 1.64 1dc1A1 LYS 18 HE2 0.20 -0.12 -0.02 -0.04 2.99 3.01 1dc1A1 LYS 18 HE3 0.06 0.07 0.02 -0.04 2.99 3.09 1dc1A1 THR 19 H -0.01 0.41 0.34 -0.55 8.28 8.46 1dc1A1 THR 19 HA -0.16 0.07 0.57 -0.75 4.39 4.11 1dc1A1 THR 19 HB -0.44 -0.07 0.15 -0.04 4.32 3.91 1dc1A1 THR 19 HG23 -0.89 0.04 0.05 -0.04 1.22 0.38 1dc1A1 THR 20 H -0.17 0.10 0.21 -0.55 8.28 7.88 1dc1A1 THR 20 HA 0.03 0.24 0.71 -0.75 4.39 4.62 1dc1A1 THR 20 HB 0.03 -0.04 0.18 -0.04 4.32 4.44 1dc1A1 THR 20 HG23 -0.03 0.07 0.06 -0.04 1.22 1.28 1dc1A1 TYR 21 H 0.20 0.23 0.20 -0.55 8.29 8.37 1dc1A1 TYR 21 HA 0.31 0.11 0.43 -0.75 4.56 4.66 1dc1A1 TYR 21 HB2 0.09 0.06 0.14 -0.04 3.06 3.32 1dc1A1 TYR 21 HB3 0.06 0.02 0.18 -0.04 2.98 3.19 1dc1A1 TYR 21 HD2 0.05 -0.00 -0.02 -0.04 7.15 7.14 1dc1A1 TYR 21 HE2 0.01 0.04 -0.01 -0.04 6.85 6.85 1dc1A1 GLU 22 H 0.04 0.11 -0.10 -0.55 8.60 8.10 1dc1A1 GLU 22 HA -0.33 0.10 0.43 -0.75 4.29 3.74 1dc1A1 GLU 22 HB2 -0.03 0.03 0.03 -0.04 2.09 2.08 1dc1A1 GLU 22 HB3 -0.03 0.07 0.08 -0.04 1.99 2.08 1dc1A1 GLU 22 HG2 0.06 0.10 0.05 -0.04 2.34 2.50 1dc1A1 GLU 22 HG3 0.17 -0.00 0.04 -0.04 2.34 2.51 1dc1A1 GLU 23 H -0.12 0.07 -0.27 -0.55 8.60 7.73 1dc1A1 GLU 23 HA -0.09 0.12 0.56 -0.75 4.29 4.12 1dc1A1 GLU 23 HB2 -0.24 -0.01 0.16 -0.04 2.09 1.96 1dc1A1 GLU 23 HB3 -0.17 0.05 0.08 -0.04 1.99 1.90 1dc1A1 GLU 23 HG2 -0.09 -0.10 0.06 -0.04 2.34 2.17 1dc1A1 GLU 23 HG3 -0.11 0.06 0.06 -0.04 2.34 2.31 1dc1A1 TYR 24 H -0.09 0.39 -0.14 -0.55 8.29 7.89 1dc1A1 TYR 24 HA 0.03 0.09 0.55 -0.75 4.56 4.47 1dc1A1 TYR 24 HB2 -0.05 0.06 0.25 -0.04 3.06 3.28 1dc1A1 TYR 24 HB3 0.17 -0.03 0.04 -0.04 2.98 3.11 1dc1A1 TYR 24 HD2 0.08 0.05 -0.00 -0.04 7.15 7.23 1dc1A1 TYR 24 HE2 0.05 0.00 -0.15 -0.04 6.85 6.71 1dc1A1 ARG 25 H -0.29 0.64 0.03 -0.55 8.46 8.29 1dc1A1 ARG 25 HA 0.04 -0.00 0.40 -0.75 4.34 4.02 1dc1A1 ARG 25 HB2 -0.48 -0.02 0.12 -0.04 1.90 1.48 1dc1A1 ARG 25 HB3 -0.44 0.07 0.20 -0.04 1.80 1.60 1dc1A1 ARG 25 HG2 -0.03 0.04 -0.37 -0.04 1.67 1.26 1dc1A1 ARG 25 HG3 0.01 -0.04 -0.01 -0.04 1.67 1.59 1dc1A1 ARG 25 HD2 0.12 -0.02 0.01 -0.04 3.22 3.29 1dc1A1 ARG 25 HD3 -0.03 -0.00 0.01 -0.04 3.22 3.16 1dc1A1 ALA 26 H -0.07 0.55 -0.16 -0.55 8.40 8.18 1dc1A1 ALA 26 HA 0.01 0.02 0.47 -0.75 4.34 4.09 1dc1A1 ALA 26 HB3 -0.03 0.01 0.14 -0.04 1.41 1.49 1dc1A1 GLY 27 H 0.02 0.55 -0.19 -0.55 8.43 8.26 1dc1A1 GLY 27 HA2 -0.01 0.02 0.45 -0.51 4.01 3.95 1dc1A1 GLY 27 HA3 -0.05 0.06 0.36 -0.51 4.01 3.88 1dc1A1 PHE 28 H 0.20 0.66 0.00 -0.55 8.34 8.64 1dc1A1 PHE 28 HA 0.02 -0.03 0.48 -0.75 4.62 4.34 1dc1A1 PHE 28 HB2 0.00 0.14 0.19 -0.04 3.15 3.45 1dc1A1 PHE 28 HB3 0.01 -0.02 0.02 -0.04 3.06 3.03 1dc1A1 PHE 28 HD2 -0.03 0.12 -0.00 -0.04 7.28 7.33 1dc1A1 PHE 28 HE2 -0.13 0.01 0.02 -0.04 7.38 7.24 1dc1A1 PHE 28 HZ -0.11 -0.15 0.02 -0.04 7.32 7.04 1dc1A1 ILE 29 H 0.14 0.57 -0.19 -0.55 8.25 8.22 1dc1A1 ILE 29 HA 0.11 0.00 0.45 -0.75 4.18 3.98 1dc1A1 ILE 29 HB 0.05 0.16 0.21 -0.04 1.89 2.27 1dc1A1 ILE 29 HG12 0.06 -0.04 0.04 -0.04 1.49 1.51 1dc1A1 ILE 29 HG13 0.09 0.02 0.07 -0.04 1.21 1.34 1dc1A1 ILE 29 HG23 0.04 -0.02 -0.08 -0.04 0.93 0.83 1dc1A1 ILE 29 HD13 0.03 -0.02 -0.04 -0.04 0.88 0.81 1dc1A1 ALA 30 H 0.06 0.54 -0.08 -0.55 8.40 8.36 1dc1A1 ALA 30 HA 0.03 0.02 0.45 -0.75 4.34 4.08 1dc1A1 ALA 30 HB3 0.01 0.02 0.13 -0.04 1.41 1.53 1dc1A1 PHE 31 H 0.16 0.60 -0.14 -0.55 8.34 8.40 1dc1A1 PHE 31 HA -0.04 0.03 0.46 -0.75 4.62 4.32 1dc1A1 PHE 31 HB2 -0.11 0.02 0.12 -0.04 3.15 3.14 1dc1A1 PHE 31 HB3 -0.05 0.09 0.18 -0.04 3.06 3.25 1dc1A1 PHE 31 HD2 -0.03 0.02 -0.14 -0.04 7.28 7.09 1dc1A1 PHE 31 HE2 -0.01 0.02 -0.08 -0.04 7.38 7.27 1dc1A1 PHE 31 HZ -0.01 0.02 -0.06 -0.04 7.32 7.23 1dc1A1 ALA 32 H 0.22 0.54 -0.14 -0.55 8.40 8.47 1dc1A1 ALA 32 HA 0.16 -0.01 0.41 -0.75 4.34 4.14 1dc1A1 ALA 32 HB3 0.13 0.04 0.13 -0.04 1.41 1.67 1dc1A1 LEU 33 H 0.04 0.52 -0.16 -0.55 8.37 8.23 1dc1A1 LEU 33 HA 0.01 0.01 0.42 -0.75 4.35 4.04 1dc1A1 LEU 33 HB2 0.01 0.03 0.14 -0.04 1.64 1.78 1dc1A1 LEU 33 HB3 -0.00 0.15 0.18 -0.04 1.64 1.93 1dc1A1 LEU 33 HG -0.01 -0.02 -0.21 -0.04 1.64 1.36 1dc1A1 LEU 33 HD13 0.00 -0.01 0.05 -0.04 0.93 0.93 1dc1A1 LEU 33 HD23 -0.00 -0.00 -0.01 -0.04 0.89 0.83 1dc1A1 GLU 34 H -0.07 0.46 -0.24 -0.55 8.60 8.20 1dc1A1 GLU 34 HA -0.07 0.03 0.44 -0.75 4.29 3.94 1dc1A1 GLU 34 HB2 -0.10 0.02 0.11 -0.04 2.09 2.08 1dc1A1 GLU 34 HB3 -0.23 0.10 0.19 -0.04 1.99 2.02 1dc1A1 GLU 34 HG2 -0.17 -0.02 -0.03 -0.04 2.34 2.08 1dc1A1 GLU 34 HG3 -0.17 -0.03 -0.19 -0.04 2.34 1.91 1dc1A1 LYS 35 H -0.18 0.61 -0.07 -0.55 8.42 8.23 1dc1A1 LYS 35 HA -0.17 -0.00 0.39 -0.75 4.32 3.78 1dc1A1 LYS 35 HB2 -0.21 0.10 0.13 -0.04 1.87 1.85 1dc1A1 LYS 35 HB3 -0.02 0.08 0.11 -0.04 1.79 1.92 1dc1A1 LYS 35 HG2 -0.05 -0.02 -0.09 -0.04 1.46 1.26 1dc1A1 LYS 35 HG3 -0.12 -0.02 0.02 -0.04 1.46 1.30 1dc1A1 LYS 35 HD2 0.05 -0.02 -0.05 -0.04 1.69 1.64 1dc1A1 LYS 35 HD3 0.22 -0.02 -0.03 -0.04 1.68 1.81 1dc1A1 LYS 35 HE2 0.15 -0.01 -0.01 -0.04 2.99 3.08 1dc1A1 LYS 35 HE3 0.04 0.02 -0.05 -0.04 2.99 2.96 1dc1A1 ASN 36 H -0.03 0.59 -0.17 -0.55 8.53 8.38 1dc1A1 ASN 36 HA -0.01 -0.01 0.47 -0.75 4.76 4.45 1dc1A1 ASN 36 HB2 -0.00 0.15 0.19 -0.04 2.88 3.17 1dc1A1 ASN 36 HB3 0.00 -0.04 0.04 -0.04 2.79 2.75 1dc1A1 ASN 36 HD21 0.02 -0.07 -0.01 -0.04 7.03 6.92 1dc1A1 ASN 36 HD22 0.02 0.04 -0.04 -0.04 7.74 7.71 1dc1A1 LYS 37 H -0.03 0.42 -0.20 -0.55 8.42 8.05 1dc1A1 LYS 37 HA -0.00 -0.00 0.44 -0.75 4.32 4.00 1dc1A1 LYS 37 HB2 -0.03 0.16 0.23 -0.04 1.87 2.19 1dc1A1 LYS 37 HB3 -0.01 -0.06 0.03 -0.04 1.79 1.71 1dc1A1 LYS 37 HG2 -0.01 -0.06 0.06 -0.04 1.46 1.42 1dc1A1 LYS 37 HG3 -0.02 0.18 0.11 -0.04 1.46 1.69 1dc1A1 LYS 37 HD2 -0.03 -0.01 0.01 -0.04 1.69 1.62 1dc1A1 LYS 37 HD3 -0.01 -0.03 0.01 -0.04 1.68 1.61 1dc1A1 LYS 37 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1dc1A1 LYS 37 HE3 -0.02 0.02 -0.09 -0.04 2.99 2.86 1dc1A1 ARG 38 H -0.03 0.52 -0.13 -0.55 8.46 8.27 1dc1A1 ARG 38 HA 0.04 0.08 0.57 -0.75 4.34 4.28 1dc1A1 ARG 38 HB2 -0.03 0.04 0.09 -0.04 1.90 1.96 1dc1A1 ARG 38 HB3 0.07 -0.08 0.12 -0.04 1.80 1.87 1dc1A1 ARG 38 HG2 -0.05 0.18 0.05 -0.04 1.67 1.82 1dc1A1 ARG 38 HG3 -0.06 -0.07 -0.03 -0.04 1.67 1.47 1dc1A1 ARG 38 HD2 0.03 -0.03 0.02 -0.04 3.22 3.19 1dc1A1 ARG 38 HD3 0.01 0.02 -0.09 -0.04 3.22 3.12 1dc1A1 SER 39 H 0.02 0.36 -0.38 -0.55 8.46 7.92 1dc1A1 SER 39 HA 0.10 0.01 0.47 -0.75 4.49 4.31 1dc1A1 SER 39 HB2 0.01 -0.12 0.07 -0.04 3.95 3.87 1dc1A1 SER 39 HB3 -0.02 0.14 0.12 -0.04 3.93 4.13 1dc1A1 THR 40 H 0.05 0.35 -0.12 -0.55 8.28 8.01 1dc1A1 THR 40 HA 0.06 -0.04 0.34 -0.75 4.39 3.99 1dc1A1 THR 40 HB 0.03 0.11 0.09 -0.04 4.32 4.51 1dc1A1 THR 40 HG23 0.02 -0.02 -0.03 -0.04 1.22 1.14 1dc1A1 PRO 41 HA -0.02 0.02 0.49 -0.51 4.44 4.42 1dc1A1 PRO 41 HB2 -0.20 0.06 0.01 -0.04 2.28 2.11 1dc1A1 PRO 41 HB3 -0.09 0.01 0.09 -0.04 2.02 1.98 1dc1A1 PRO 41 HG2 -0.01 0.08 0.05 -0.04 2.03 2.11 1dc1A1 PRO 41 HG3 -0.01 0.01 0.04 -0.04 2.03 2.03 1dc1A1 PRO 41 HD2 0.11 0.46 -0.22 -0.04 3.68 3.99 1dc1A1 PRO 41 HD3 0.04 0.12 0.02 -0.04 3.65 3.78 1dc1A1 TYR 42 H 0.21 0.41 -0.27 -0.55 8.29 8.10 1dc1A1 TYR 42 HA 0.01 0.03 0.49 -0.75 4.56 4.34 1dc1A1 TYR 42 HB2 -0.01 0.25 0.22 -0.04 3.06 3.47 1dc1A1 TYR 42 HB3 -0.03 -0.05 -0.01 -0.04 2.98 2.85 1dc1A1 TYR 42 HD2 -0.07 0.09 0.09 -0.04 7.15 7.22 1dc1A1 TYR 42 HE2 -0.07 0.02 0.00 -0.04 6.85 6.76 1dc1A1 ILE 43 H 0.14 0.46 0.02 -0.55 8.25 8.32 1dc1A1 ILE 43 HA 0.11 0.04 0.49 -0.75 4.18 4.06 1dc1A1 ILE 43 HB 0.06 0.09 0.11 -0.04 1.89 2.10 1dc1A1 ILE 43 HG12 0.09 0.11 0.04 -0.04 1.49 1.69 1dc1A1 ILE 43 HG13 0.05 0.00 -0.03 -0.04 1.21 1.19 1dc1A1 ILE 43 HG23 0.05 -0.01 -0.05 -0.04 0.93 0.88 1dc1A1 ILE 43 HD13 0.05 -0.01 -0.03 -0.04 0.88 0.86 1dc1A1 GLU 44 H 0.05 0.64 -0.09 -0.55 8.60 8.65 1dc1A1 GLU 44 HA 0.03 0.01 0.46 -0.75 4.29 4.03 1dc1A1 GLU 44 HB2 0.02 0.08 0.10 -0.04 2.09 2.24 1dc1A1 GLU 44 HB3 0.00 0.07 0.08 -0.04 1.99 2.10 1dc1A1 GLU 44 HG2 0.00 -0.04 -0.03 -0.04 2.34 2.23 1dc1A1 GLU 44 HG3 0.01 -0.03 0.07 -0.04 2.34 2.35 1dc1A1 ARG 45 H 0.03 0.55 -0.22 -0.55 8.46 8.27 1dc1A1 ARG 45 HA -0.00 0.01 0.49 -0.75 4.34 4.08 1dc1A1 ARG 45 HB2 0.08 0.16 0.20 -0.04 1.90 2.31 1dc1A1 ARG 45 HB3 0.10 -0.08 0.03 -0.04 1.80 1.81 1dc1A1 ARG 45 HG2 -0.02 -0.07 0.06 -0.04 1.67 1.60 1dc1A1 ARG 45 HG3 -0.06 0.23 0.13 -0.04 1.67 1.93 1dc1A1 ARG 45 HD2 0.00 -0.05 0.01 -0.04 3.22 3.15 1dc1A1 ARG 45 HD3 -0.08 -0.03 0.00 -0.04 3.22 3.07 1dc1A1 ALA 46 H 0.14 0.43 -0.29 -0.55 8.40 8.13 1dc1A1 ALA 46 HA 0.03 0.01 0.45 -0.75 4.34 4.07 1dc1A1 ALA 46 HB3 0.20 0.04 0.11 -0.04 1.41 1.71 1dc1A1 ARG 47 H 0.04 0.54 -0.08 -0.55 8.46 8.41 1dc1A1 ARG 47 HA 0.01 0.00 0.41 -0.75 4.34 4.01 1dc1A1 ARG 47 HB2 0.01 0.13 0.20 -0.04 1.90 2.19 1dc1A1 ARG 47 HB3 0.00 -0.04 0.03 -0.04 1.80 1.74 1dc1A1 ARG 47 HG2 0.04 0.16 0.06 -0.04 1.67 1.88 1dc1A1 ARG 47 HG3 0.02 -0.03 0.00 -0.04 1.67 1.62 1dc1A1 ARG 47 HD2 0.01 -0.01 0.01 -0.04 3.22 3.19 1dc1A1 ARG 47 HD3 0.02 -0.03 0.01 -0.04 3.22 3.18 1dc1A1 ALA 48 H -0.01 0.58 -0.16 -0.55 8.40 8.27 1dc1A1 ALA 48 HA -0.02 0.01 0.42 -0.75 4.34 3.99 1dc1A1 ALA 48 HB3 -0.02 0.02 0.12 -0.04 1.41 1.48 1dc1A1 LEU 49 H -0.09 0.60 -0.19 -0.55 8.37 8.14 1dc1A1 LEU 49 HA -0.12 -0.03 0.44 -0.75 4.35 3.89 1dc1A1 LEU 49 HB2 -0.38 0.00 0.12 -0.04 1.64 1.35 1dc1A1 LEU 49 HB3 -0.26 0.13 0.21 -0.04 1.64 1.68 1dc1A1 LEU 49 HG -0.17 -0.01 -0.30 -0.04 1.64 1.12 1dc1A1 LEU 49 HD13 -0.16 -0.03 0.04 -0.04 0.93 0.73 1dc1A1 LEU 49 HD23 -0.65 -0.00 -0.06 -0.04 0.89 0.14 1dc1A1 LYS 50 H -0.07 0.60 -0.16 -0.55 8.42 8.24 1dc1A1 LYS 50 HA -0.08 -0.01 0.43 -0.75 4.32 3.90 1dc1A1 LYS 50 HB2 -0.06 0.02 0.11 -0.04 1.87 1.90 1dc1A1 LYS 50 HB3 -0.04 0.14 0.12 -0.04 1.79 1.97 1dc1A1 LYS 50 HG2 -0.07 0.02 -0.16 -0.04 1.46 1.20 1dc1A1 LYS 50 HG3 -0.11 -0.07 0.01 -0.04 1.46 1.25 1dc1A1 LYS 50 HD2 -0.09 -0.03 -0.05 -0.04 1.69 1.48 1dc1A1 LYS 50 HD3 -0.05 0.03 -0.03 -0.04 1.68 1.59 1dc1A1 LYS 50 HE2 -0.08 0.03 -0.05 -0.04 2.99 2.86 1dc1A1 LYS 50 HE3 -0.13 -0.06 -0.06 -0.04 2.99 2.69 1dc1A1 VAL 51 H -0.04 0.46 -0.19 -0.55 8.24 7.92 1dc1A1 VAL 51 HA -0.03 0.03 0.42 -0.75 4.13 3.78 1dc1A1 VAL 51 HB -0.03 0.13 0.19 -0.04 2.12 2.38 1dc1A1 VAL 51 HG13 -0.02 -0.02 -0.13 -0.04 0.97 0.77 1dc1A1 VAL 51 HG23 -0.02 0.03 0.03 -0.04 0.95 0.95 1dc1A1 ALA 52 H -0.04 0.50 -0.11 -0.55 8.40 8.21 1dc1A1 ALA 52 HA -0.01 0.04 0.43 -0.75 4.34 4.04 1dc1A1 ALA 52 HB3 -0.03 -0.01 0.07 -0.04 1.41 1.40 1dc1A1 ALA 53 H -0.04 0.69 -0.07 -0.55 8.40 8.43 1dc1A1 ALA 53 HA 0.01 -0.01 0.47 -0.75 4.34 4.06 1dc1A1 ALA 53 HB3 -0.04 -0.01 0.08 -0.04 1.41 1.40 1dc1A1 SER 54 H -0.04 0.47 -0.35 -0.55 8.46 7.99 1dc1A1 SER 54 HA -0.08 0.01 0.29 -0.75 4.49 3.96 1dc1A1 SER 54 HB2 -0.04 0.21 0.14 -0.04 3.95 4.22 1dc1A1 SER 54 HB3 -0.04 -0.08 0.04 -0.04 3.93 3.82 1dc1A1 VAL 55 H 0.01 0.24 -0.61 -0.55 8.24 7.33 1dc1A1 VAL 55 HA 0.02 0.01 0.37 -0.75 4.13 3.79 1dc1A1 VAL 55 HB 0.03 0.18 0.06 -0.04 2.12 2.35 1dc1A1 VAL 55 HG13 0.04 -0.04 -0.15 -0.04 0.97 0.78 1dc1A1 VAL 55 HG23 0.01 -0.00 0.03 -0.04 0.95 0.95 1dc1A1 ALA 56 H 0.08 0.49 -0.21 -0.55 8.40 8.21 1dc1A1 ALA 56 HA 0.11 -0.06 0.46 -0.75 4.34 4.10 1dc1A1 ALA 56 HB3 0.18 0.03 -0.05 -0.04 1.41 1.53 1dc1A1 LYS 57 H 0.10 0.03 0.22 -0.55 8.42 8.22 1dc1A1 LYS 57 HA 0.18 0.24 0.68 -0.75 4.32 4.66 1dc1A1 LYS 57 HB2 0.05 -0.08 0.11 -0.04 1.87 1.92 1dc1A1 LYS 57 HB3 0.07 -0.01 0.11 -0.04 1.79 1.91 1dc1A1 LYS 57 HG2 0.06 0.18 -0.07 -0.04 1.46 1.59 1dc1A1 LYS 57 HG3 0.04 -0.05 0.04 -0.04 1.46 1.46 1dc1A1 LYS 57 HD2 0.03 -0.04 0.01 -0.04 1.69 1.65 1dc1A1 LYS 57 HD3 0.05 -0.06 0.04 -0.04 1.68 1.67 1dc1A1 LYS 57 HE2 0.05 -0.06 0.00 -0.04 2.99 2.93 1dc1A1 LYS 57 HE3 0.07 0.17 -0.25 -0.04 2.99 2.94 1dc1A1 THR 58 H 0.05 0.00 0.04 -0.55 8.28 7.82 1dc1A1 THR 58 HA -0.38 0.37 0.85 -0.75 4.39 4.47 1dc1A1 THR 58 HB -0.18 0.04 0.10 -0.04 4.32 4.24 1dc1A1 THR 58 HG23 -0.04 0.03 -0.11 -0.04 1.22 1.06 1dc1A1 PRO 59 HA -0.30 0.12 0.38 -0.51 4.44 4.13 1dc1A1 PRO 59 HB2 -0.17 0.01 -0.01 -0.04 2.28 2.07 1dc1A1 PRO 59 HB3 -0.13 0.04 0.04 -0.04 2.02 1.92 1dc1A1 PRO 59 HG2 -0.27 0.07 -0.11 -0.04 2.03 1.68 1dc1A1 PRO 59 HG3 -0.67 0.12 -0.12 -0.04 2.03 1.32 1dc1A1 PRO 59 HD2 -0.39 0.08 0.18 -0.04 3.68 3.51 1dc1A1 PRO 59 HD3 -1.17 0.25 0.13 -0.04 3.65 2.82 1dc1A1 LYS 60 H -0.12 0.15 -0.21 -0.55 8.42 7.69 1dc1A1 LYS 60 HA -0.02 0.10 0.38 -0.75 4.32 4.02 1dc1A1 LYS 60 HB2 0.01 -0.03 0.02 -0.04 1.87 1.82 1dc1A1 LYS 60 HB3 0.11 0.04 -0.06 -0.04 1.79 1.84 1dc1A1 LYS 60 HG2 -0.03 0.00 0.01 -0.04 1.46 1.41 1dc1A1 LYS 60 HG3 0.02 0.04 -0.00 -0.04 1.46 1.47 1dc1A1 LYS 60 HD2 0.01 0.01 0.02 -0.04 1.69 1.70 1dc1A1 LYS 60 HD3 -0.02 -0.03 -0.05 -0.04 1.68 1.54 1dc1A1 LYS 60 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 1dc1A1 LYS 60 HE3 -0.01 0.01 -0.03 -0.04 2.99 2.92 1dc1A1 ASP 61 H 0.01 0.17 -0.40 -0.55 8.40 7.62 1dc1A1 ASP 61 HA 0.33 0.06 0.38 -0.75 4.63 4.64 1dc1A1 ASP 61 HB2 0.08 0.29 0.18 -0.04 2.71 3.22 1dc1A1 ASP 61 HB3 0.12 0.03 0.07 -0.04 2.70 2.88 1dc1A1 LEU 62 H 0.03 0.45 -0.40 -0.55 8.37 7.90 1dc1A1 LEU 62 HA 0.05 0.03 0.37 -0.75 4.35 4.05 1dc1A1 LEU 62 HB2 0.03 0.14 0.08 -0.04 1.64 1.84 1dc1A1 LEU 62 HB3 0.04 -0.05 0.06 -0.04 1.64 1.65 1dc1A1 LEU 62 HG 0.18 0.01 0.03 -0.04 1.64 1.81 1dc1A1 LEU 62 HD13 0.25 -0.00 0.00 -0.04 0.93 1.14 1dc1A1 LEU 62 HD23 0.13 0.01 0.04 -0.04 0.89 1.03 1dc1A1 LEU 63 H -0.16 0.41 -0.40 -0.55 8.37 7.67 1dc1A1 LEU 63 HA -0.21 0.05 0.39 -0.75 4.35 3.82 1dc1A1 LEU 63 HB2 -0.78 0.18 0.08 -0.04 1.64 1.08 1dc1A1 LEU 63 HB3 -0.58 -0.05 0.05 -0.04 1.64 1.02 1dc1A1 LEU 63 HG -0.13 -0.00 0.02 -0.04 1.64 1.49 1dc1A1 LEU 63 HD13 -0.10 -0.01 0.02 -0.04 0.93 0.81 1dc1A1 LEU 63 HD23 -0.11 -0.01 -0.03 -0.04 0.89 0.70 1dc1A1 TYR 64 H -0.15 0.51 -0.42 -0.55 8.29 7.68 1dc1A1 TYR 64 HA 0.01 0.16 0.79 -0.75 4.56 4.77 1dc1A1 TYR 64 HB2 0.01 0.11 0.08 -0.04 3.06 3.22 1dc1A1 TYR 64 HB3 0.01 -0.05 0.13 -0.04 2.98 3.03 1dc1A1 TYR 64 HD2 0.00 0.02 0.02 -0.04 7.15 7.15 1dc1A1 TYR 64 HE2 -0.00 -0.01 -0.10 -0.04 6.85 6.70 1dc1A1 LEU 65 H -0.00 0.41 -0.30 -0.55 8.37 7.93 1dc1A1 LEU 65 HA 0.04 0.10 0.71 -0.75 4.35 4.46 1dc1A1 LEU 65 HB2 0.02 0.02 0.20 -0.04 1.64 1.84 1dc1A1 LEU 65 HB3 0.02 -0.03 0.06 -0.04 1.64 1.65 1dc1A1 LEU 65 HG 0.07 0.07 -0.00 -0.04 1.64 1.73 1dc1A1 LEU 65 HD13 0.04 0.04 0.02 -0.04 0.93 0.99 1dc1A1 LEU 65 HD23 0.06 0.01 -0.11 -0.04 0.89 0.81 1dc1A1 GLU 66 H 0.03 0.34 0.04 -0.55 8.60 8.47 1dc1A1 GLU 66 HA 0.00 0.09 0.31 -0.75 4.29 3.93 1dc1A1 GLU 66 HB2 0.02 0.09 0.10 -0.04 2.09 2.26 1dc1A1 GLU 66 HB3 0.02 -0.02 0.12 -0.04 1.99 2.07 1dc1A1 GLU 66 HG2 0.01 -0.01 -0.23 -0.04 2.34 2.06 1dc1A1 GLU 66 HG3 0.01 -0.01 0.04 -0.04 2.34 2.34 1dc1A1 ASP 67 H 0.01 0.10 -0.25 -0.55 8.40 7.71 1dc1A1 ASP 67 HA 0.00 0.08 0.38 -0.75 4.63 4.35 1dc1A1 ASP 67 HB2 -0.00 0.02 0.09 -0.04 2.71 2.78 1dc1A1 ASP 67 HB3 0.00 0.01 0.08 -0.04 2.70 2.75 1dc1A1 ILE 68 H -0.00 0.52 -0.37 -0.55 8.25 7.85 1dc1A1 ILE 68 HA -0.02 0.15 0.91 -0.75 4.18 4.47 1dc1A1 ILE 68 HB -0.03 -0.07 0.12 -0.04 1.89 1.88 1dc1A1 ILE 68 HG12 0.00 0.17 0.08 -0.04 1.49 1.70 1dc1A1 ILE 68 HG13 0.00 0.01 -0.20 -0.04 1.21 0.98 1dc1A1 ILE 68 HG23 -0.03 -0.00 -0.17 -0.04 0.93 0.69 1dc1A1 ILE 68 HD13 0.01 0.01 0.02 -0.04 0.88 0.88 1dc1A1 GLN 69 H 0.01 0.47 -0.09 -0.55 8.47 8.31 1dc1A1 GLN 69 HA 0.01 0.08 0.32 -0.75 4.36 4.01 1dc1A1 GLN 69 HB2 0.01 0.03 0.14 -0.04 2.15 2.29 1dc1A1 GLN 69 HB3 0.01 -0.02 0.02 -0.04 2.02 1.99 1dc1A1 GLN 69 HG2 -0.00 0.10 0.14 -0.04 2.40 2.60 1dc1A1 GLN 69 HG3 -0.01 -0.02 0.03 -0.04 2.39 2.35 1dc1A1 GLN 69 HE21 -0.06 0.25 -0.01 -0.04 6.97 7.11 1dc1A1 GLN 69 HE22 -0.02 0.48 -0.16 -0.04 7.69 7.95 1dc1A1 ASP 70 H 0.04 0.18 -0.18 -0.55 8.40 7.90 1dc1A1 ASP 70 HA 0.08 0.08 0.44 -0.75 4.63 4.48 1dc1A1 ASP 70 HB2 0.06 0.02 0.07 -0.04 2.71 2.82 1dc1A1 ASP 70 HB3 0.10 0.03 -0.05 -0.04 2.70 2.74 1dc1A1 ALA 71 H 0.06 0.15 -0.23 -0.55 8.40 7.83 1dc1A1 ALA 71 HA 0.34 0.04 0.45 -0.75 4.34 4.42 1dc1A1 ALA 71 HB3 -0.13 0.04 0.09 -0.04 1.41 1.37 1dc1A1 LEU 72 H 0.07 0.58 -0.16 -0.55 8.37 8.31 1dc1A1 LEU 72 HA 0.12 0.01 0.38 -0.75 4.35 4.10 1dc1A1 LEU 72 HB2 0.05 0.13 0.16 -0.04 1.64 1.93 1dc1A1 LEU 72 HB3 0.05 -0.01 -0.05 -0.04 1.64 1.59 1dc1A1 LEU 72 HG 0.04 0.01 -0.04 -0.04 1.64 1.60 1dc1A1 LEU 72 HD13 0.00 -0.02 -0.16 -0.04 0.93 0.71 1dc1A1 LEU 72 HD23 0.08 -0.02 -0.01 -0.04 0.89 0.90 1dc1A1 LEU 73 H 0.10 0.51 -0.15 -0.55 8.37 8.28 1dc1A1 LEU 73 HA 0.05 0.01 0.35 -0.75 4.35 4.01 1dc1A1 LEU 73 HB2 0.05 0.02 0.11 -0.04 1.64 1.77 1dc1A1 LEU 73 HB3 0.09 0.13 0.16 -0.04 1.64 1.98 1dc1A1 LEU 73 HG -0.01 0.02 -0.19 -0.04 1.64 1.41 1dc1A1 LEU 73 HD13 -0.00 -0.01 0.03 -0.04 0.93 0.90 1dc1A1 LEU 73 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.82 1dc1A1 TYR 74 H 0.26 0.49 -0.16 -0.55 8.29 8.33 1dc1A1 TYR 74 HA 0.05 0.21 0.44 -0.75 4.56 4.51 1dc1A1 TYR 74 HB2 0.16 0.07 0.16 -0.04 3.06 3.40 1dc1A1 TYR 74 HB3 0.24 0.04 0.09 -0.04 2.98 3.32 1dc1A1 TYR 74 HD2 0.09 0.03 -0.12 -0.04 7.15 7.11 1dc1A1 TYR 74 HE2 0.07 -0.08 -0.32 -0.04 6.85 6.48 1dc1A1 ALA 75 H 0.38 0.77 -0.03 -0.55 8.40 8.98 1dc1A1 ALA 75 HA 0.53 0.05 0.27 -0.75 4.34 4.44 1dc1A1 ALA 75 HB3 0.29 -0.01 0.07 -0.04 1.41 1.73 1dc1A1 SER 76 H 0.13 0.39 -0.55 -0.55 8.46 7.88 1dc1A1 SER 76 HA 0.17 0.01 0.46 -0.75 4.49 4.37 1dc1A1 SER 76 HB2 0.07 0.08 -0.03 -0.04 3.95 4.04 1dc1A1 SER 76 HB3 0.09 0.09 0.03 -0.04 3.93 4.10 1dc1A1 GLY 77 H -0.23 0.42 -0.63 -0.55 8.43 7.44 1dc1A1 GLY 77 HA2 -1.83 -0.02 0.23 -0.51 4.01 1.88 1dc1A1 GLY 77 HA3 -0.57 0.10 0.63 -0.51 4.01 3.66 1dc1A1 ILE 78 H -0.31 0.38 -0.04 -0.55 8.25 7.74 1dc1A1 ILE 78 HA -0.24 0.08 0.82 -0.75 4.18 4.10 1dc1A1 ILE 78 HB -0.14 0.06 -0.05 -0.04 1.89 1.72 1dc1A1 ILE 78 HG12 -0.09 0.10 -0.18 -0.04 1.49 1.27 1dc1A1 ILE 78 HG13 -0.05 -0.06 -0.11 -0.04 1.21 0.95 1dc1A1 ILE 78 HG23 -0.08 0.01 -0.21 -0.04 0.93 0.62 1dc1A1 ILE 78 HD13 -0.09 0.01 -0.24 -0.04 0.88 0.53 1dc1A1 SER 79 H -0.24 0.15 0.13 -0.55 8.46 7.95 1dc1A1 SER 79 HA -0.59 0.17 0.48 -0.75 4.49 3.79 1dc1A1 SER 79 HB2 0.01 -0.01 0.14 -0.04 3.95 4.05 1dc1A1 SER 79 HB3 -0.11 0.16 0.12 -0.04 3.93 4.06 1dc1A1 ASP 80 H 0.19 0.18 0.16 -0.55 8.40 8.38 1dc1A1 ASP 80 HA 0.08 0.15 0.42 -0.75 4.63 4.52 1dc1A1 ASP 80 HB2 0.17 -0.03 0.12 -0.04 2.71 2.93 1dc1A1 ASP 80 HB3 0.10 0.06 0.01 -0.04 2.70 2.83 1dc1A1 LYS 81 H 0.07 0.02 -0.20 -0.55 8.42 7.76 1dc1A1 LYS 81 HA 0.09 0.15 0.45 -0.75 4.32 4.25 1dc1A1 LYS 81 HB2 0.08 0.04 0.07 -0.04 1.87 2.02 1dc1A1 LYS 81 HB3 0.06 -0.08 0.09 -0.04 1.79 1.82 1dc1A1 LYS 81 HG2 0.07 0.01 -0.23 -0.04 1.46 1.26 1dc1A1 LYS 81 HG3 0.14 0.04 -0.07 -0.04 1.46 1.54 1dc1A1 LYS 81 HD2 0.05 -0.03 -0.01 -0.04 1.69 1.67 1dc1A1 LYS 81 HD3 0.04 0.03 -0.04 -0.04 1.68 1.67 1dc1A1 LYS 81 HE2 0.09 0.03 -0.01 -0.04 2.99 3.06 1dc1A1 LYS 81 HE3 0.07 -0.02 0.00 -0.04 2.99 3.00 1dc1A1 ALA 82 H 0.02 0.01 -0.24 -0.55 8.40 7.65 1dc1A1 ALA 82 HA 0.15 0.09 0.34 -0.75 4.34 4.17 1dc1A1 ALA 82 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 1dc1A1 LYS 83 H 0.02 0.37 -0.43 -0.55 8.42 7.83 1dc1A1 LYS 83 HA 0.01 -0.02 0.26 -0.75 4.32 3.82 1dc1A1 LYS 83 HB2 -0.00 0.08 -0.02 -0.04 1.87 1.88 1dc1A1 LYS 83 HB3 0.03 0.15 0.09 -0.04 1.79 2.02 1dc1A1 LYS 83 HG2 0.01 0.03 -0.18 -0.04 1.46 1.27 1dc1A1 LYS 83 HG3 0.01 -0.04 -0.00 -0.04 1.46 1.38 1dc1A1 LYS 83 HD2 0.04 -0.04 -0.05 -0.04 1.69 1.60 1dc1A1 LYS 83 HD3 0.04 0.03 -0.08 -0.04 1.68 1.64 1dc1A1 LYS 83 HE2 0.06 -0.01 -0.01 -0.04 2.99 2.99 1dc1A1 LYS 83 HE3 0.03 0.02 -0.05 -0.04 2.99 2.94 1dc1A1 LYS 84 H 0.02 0.31 -0.43 -0.55 8.42 7.77 1dc1A1 LYS 84 HA -0.12 0.02 0.32 -0.75 4.32 3.79 1dc1A1 LYS 84 HB2 -0.26 0.13 0.05 -0.04 1.87 1.75 1dc1A1 LYS 84 HB3 -0.46 -0.04 0.02 -0.04 1.79 1.27 1dc1A1 LYS 84 HG2 -0.08 -0.06 0.05 -0.04 1.46 1.34 1dc1A1 LYS 84 HG3 -0.01 0.18 0.13 -0.04 1.46 1.71 1dc1A1 LYS 84 HD2 -0.08 -0.03 0.02 -0.04 1.69 1.55 1dc1A1 LYS 84 HD3 0.01 -0.06 0.02 -0.04 1.68 1.61 1dc1A1 LYS 84 HE2 -0.26 0.03 -0.00 -0.04 2.99 2.71 1dc1A1 LYS 84 HE3 0.02 -0.05 0.00 -0.04 2.99 2.93 1dc1A1 PHE 85 H 0.16 0.45 -0.34 -0.55 8.34 8.06 1dc1A1 PHE 85 HA -0.00 0.14 0.72 -0.75 4.62 4.73 1dc1A1 PHE 85 HB2 -0.01 0.06 0.08 -0.04 3.15 3.24 1dc1A1 PHE 85 HB3 -0.00 -0.06 0.13 -0.04 3.06 3.08 1dc1A1 PHE 85 HD2 -0.00 0.05 0.02 -0.04 7.28 7.30 1dc1A1 PHE 85 HE2 0.01 0.00 -0.02 -0.04 7.38 7.32 1dc1A1 PHE 85 HZ 0.01 -0.02 -0.03 -0.04 7.32 7.24 1dc1A1 LEU 86 H 0.04 0.45 -0.19 -0.55 8.37 8.13 1dc1A1 LEU 86 HA 0.05 0.04 0.70 -0.75 4.35 4.39 1dc1A1 LEU 86 HB2 0.01 0.13 0.08 -0.04 1.64 1.82 1dc1A1 LEU 86 HB3 0.01 -0.11 -0.02 -0.04 1.64 1.48 1dc1A1 LEU 86 HG 0.04 0.15 -0.12 -0.04 1.64 1.67 1dc1A1 LEU 86 HD13 -0.01 -0.02 -0.16 -0.04 0.93 0.70 1dc1A1 LEU 86 HD23 0.04 -0.02 -0.17 -0.04 0.89 0.69 1dc1A1 THR 87 H 0.02 0.05 0.20 -0.55 8.28 8.00 1dc1A1 THR 87 HA 0.00 0.24 0.57 -0.75 4.39 4.45 1dc1A1 THR 87 HB 0.01 -0.03 0.19 -0.04 4.32 4.45 1dc1A1 THR 87 HG23 0.01 0.06 0.07 -0.04 1.22 1.32 1dc1A1 GLU 88 H 0.00 0.21 0.17 -0.55 8.60 8.44 1dc1A1 GLU 88 HA 0.00 0.15 0.41 -0.75 4.29 4.10 1dc1A1 GLU 88 HB2 0.00 -0.02 0.14 -0.04 2.09 2.17 1dc1A1 GLU 88 HB3 0.00 0.04 0.03 -0.04 1.99 2.02 1dc1A1 GLU 88 HG2 -0.00 0.01 0.10 -0.04 2.34 2.41 1dc1A1 GLU 88 HG3 0.00 0.04 0.05 -0.04 2.34 2.39 1dc1A1 ASP 89 H 0.00 0.09 -0.16 -0.55 8.40 7.79 1dc1A1 ASP 89 HA 0.00 0.10 0.42 -0.75 4.63 4.40 1dc1A1 ASP 89 HB2 0.00 -0.04 0.06 -0.04 2.71 2.70 1dc1A1 ASP 89 HB3 0.00 0.07 -0.04 -0.04 2.70 2.69 1dc1A1 ASP 90 H 0.01 0.08 -0.31 -0.55 8.40 7.62 1dc1A1 ASP 90 HA 0.00 0.08 0.40 -0.75 4.63 4.36 1dc1A1 ASP 90 HB2 0.01 0.18 0.16 -0.04 2.71 3.03 1dc1A1 ASP 90 HB3 0.01 0.07 -0.03 -0.04 2.70 2.72 1dc1A1 LYS 91 H 0.00 0.47 -0.19 -0.55 8.42 8.14 1dc1A1 LYS 91 HA 0.00 0.05 0.38 -0.75 4.32 4.00 1dc1A1 LYS 91 HB2 0.00 0.14 0.13 -0.04 1.87 2.11 1dc1A1 LYS 91 HB3 0.01 -0.03 -0.03 -0.04 1.79 1.70 1dc1A1 LYS 91 HG2 0.00 -0.02 -0.03 -0.04 1.46 1.37 1dc1A1 LYS 91 HG3 0.00 0.15 -0.05 -0.04 1.46 1.52 1dc1A1 LYS 91 HD2 0.00 -0.07 -0.05 -0.04 1.69 1.53 1dc1A1 LYS 91 HD3 0.01 -0.04 -0.04 -0.04 1.68 1.56 1dc1A1 LYS 91 HE2 0.00 -0.01 -0.04 -0.04 2.99 2.90 1dc1A1 LYS 91 HE3 0.00 0.18 -0.21 -0.04 2.99 2.92 1dc1A1 LYS 92 H 0.00 0.53 -0.09 -0.55 8.42 8.30 1dc1A1 LYS 92 HA -0.01 0.02 0.40 -0.75 4.32 3.98 1dc1A1 LYS 92 HB2 -0.00 0.04 0.21 -0.04 1.87 2.08 1dc1A1 LYS 92 HB3 -0.00 0.02 -0.08 -0.04 1.79 1.69 1dc1A1 LYS 92 HG2 -0.01 -0.01 -0.00 -0.04 1.46 1.40 1dc1A1 LYS 92 HG3 -0.01 -0.01 0.06 -0.04 1.46 1.46 1dc1A1 LYS 92 HD2 -0.00 -0.03 -0.10 -0.04 1.69 1.52 1dc1A1 LYS 92 HD3 -0.00 -0.01 -0.03 -0.04 1.68 1.60 1dc1A1 LYS 92 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.95 1dc1A1 LYS 92 HE3 -0.00 0.03 -0.04 -0.04 2.99 2.94 1dc1A1 GLU 93 H 0.00 0.58 -0.25 -0.55 8.60 8.38 1dc1A1 GLU 93 HA -0.00 -0.02 0.42 -0.75 4.29 3.93 1dc1A1 GLU 93 HB2 0.00 0.26 0.22 -0.04 2.09 2.53 1dc1A1 GLU 93 HB3 0.00 0.10 0.11 -0.04 1.99 2.16 1dc1A1 GLU 93 HG2 -0.00 -0.04 0.03 -0.04 2.34 2.28 1dc1A1 GLU 93 HG3 -0.00 -0.03 0.03 -0.04 2.34 2.30 1dc1A1 SER 94 H 0.00 0.58 -0.11 -0.55 8.46 8.39 1dc1A1 SER 94 HA 0.01 0.01 0.45 -0.75 4.49 4.21 1dc1A1 SER 94 HB2 -0.01 0.04 0.11 -0.04 3.95 4.05 1dc1A1 SER 94 HB3 0.00 0.07 0.12 -0.04 3.93 4.08 1dc1A1 ILE 95 H 0.01 0.58 -0.13 -0.55 8.25 8.16 1dc1A1 ILE 95 HA 0.05 0.06 0.40 -0.75 4.18 3.93 1dc1A1 ILE 95 HB 0.00 0.11 0.16 -0.04 1.89 2.12 1dc1A1 ILE 95 HG12 0.04 -0.04 -0.28 -0.04 1.49 1.17 1dc1A1 ILE 95 HG13 0.03 0.04 -0.03 -0.04 1.21 1.20 1dc1A1 ILE 95 HG23 0.01 -0.02 -0.13 -0.04 0.93 0.74 1dc1A1 ILE 95 HD13 0.01 -0.01 -0.06 -0.04 0.88 0.78 1dc1A1 ASN 96 H 0.01 0.56 -0.16 -0.55 8.53 8.39 1dc1A1 ASN 96 HA -0.00 -0.03 0.42 -0.75 4.76 4.40 1dc1A1 ASN 96 HB2 -0.00 0.15 0.17 -0.04 2.88 3.15 1dc1A1 ASN 96 HB3 -0.01 -0.07 0.03 -0.04 2.79 2.70 1dc1A1 ASN 96 HD21 -0.01 -0.06 -0.06 -0.04 7.03 6.86 1dc1A1 ASN 96 HD22 -0.00 -0.03 -0.06 -0.04 7.74 7.61 1dc1A1 ASN 97 H 0.01 0.56 -0.22 -0.55 8.53 8.34 1dc1A1 ASN 97 HA -0.03 -0.03 0.43 -0.75 4.76 4.38 1dc1A1 ASN 97 HB2 0.03 0.21 0.20 -0.04 2.88 3.27 1dc1A1 ASN 97 HB3 0.00 -0.05 0.03 -0.04 2.79 2.74 1dc1A1 ASN 97 HD21 -0.00 -0.07 -0.05 -0.04 7.03 6.87 1dc1A1 ASN 97 HD22 0.01 0.02 -0.00 -0.04 7.74 7.73 1dc1A1 LEU 98 H 0.08 0.50 -0.17 -0.55 8.37 8.23 1dc1A1 LEU 98 HA 0.33 0.04 0.42 -0.75 4.35 4.38 1dc1A1 LEU 98 HB2 0.18 0.05 0.12 -0.04 1.64 1.95 1dc1A1 LEU 98 HB3 0.11 0.19 0.21 -0.04 1.64 2.11 1dc1A1 LEU 98 HG 0.17 -0.09 -0.29 -0.04 1.64 1.38 1dc1A1 LEU 98 HD13 0.29 0.00 -0.06 -0.04 0.93 1.12 1dc1A1 LEU 98 HD23 0.15 -0.01 -0.12 -0.04 0.89 0.87 1dc1A1 ILE 99 H 0.05 0.56 -0.12 -0.55 8.25 8.19 1dc1A1 ILE 99 HA 0.05 -0.07 0.41 -0.75 4.18 3.82 1dc1A1 ILE 99 HB 0.00 0.13 0.20 -0.04 1.89 2.18 1dc1A1 ILE 99 HG12 0.01 -0.04 -0.05 -0.04 1.49 1.36 1dc1A1 ILE 99 HG13 0.03 0.10 0.04 -0.04 1.21 1.34 1dc1A1 ILE 99 HG23 -0.03 -0.04 -0.19 -0.04 0.93 0.64 1dc1A1 ILE 99 HD13 -0.02 -0.02 -0.10 -0.04 0.88 0.69 1dc1A1 GLU 100 H -0.01 0.76 0.01 -0.55 8.60 8.81 1dc1A1 GLU 100 HA -0.03 -0.01 0.39 -0.75 4.29 3.89 1dc1A1 GLU 100 HB2 -0.05 0.06 0.12 -0.04 2.09 2.18 1dc1A1 GLU 100 HB3 -0.04 -0.03 0.03 -0.04 1.99 1.91 1dc1A1 GLU 100 HG2 -0.02 -0.07 0.01 -0.04 2.34 2.22 1dc1A1 GLU 100 HG3 -0.02 0.10 0.11 -0.04 2.34 2.49 1dc1A1 ASN 101 H -0.11 0.66 -0.08 -0.55 8.53 8.45 1dc1A1 ASN 101 HA -0.24 0.08 0.58 -0.75 4.76 4.42 1dc1A1 ASN 101 HB2 -0.60 0.20 0.10 -0.04 2.88 2.54 1dc1A1 ASN 101 HB3 -1.04 -0.07 0.02 -0.04 2.79 1.67 1dc1A1 ASN 101 HD21 -0.10 -0.07 0.02 -0.04 7.03 6.84 1dc1A1 ASN 101 HD22 -0.16 0.03 -0.01 -0.04 7.74 7.56 1dc1A1 PHE 102 H 0.04 0.41 -0.06 -0.55 8.34 8.17 1dc1A1 PHE 102 HA 0.05 0.20 1.02 -0.75 4.62 5.13 1dc1A1 PHE 102 HB2 0.08 0.08 0.12 -0.04 3.15 3.39 1dc1A1 PHE 102 HB3 0.08 -0.06 -0.01 -0.04 3.06 3.03 1dc1A1 PHE 102 HD2 0.08 0.00 0.01 -0.04 7.28 7.33 1dc1A1 PHE 102 HE2 0.08 -0.01 -0.05 -0.04 7.38 7.35 1dc1A1 PHE 102 HZ 0.08 -0.04 -0.04 -0.04 7.32 7.28 1dc1A1 LEU 103 H 0.17 0.48 0.24 -0.55 8.37 8.72 1dc1A1 LEU 103 HA 0.19 0.04 0.43 -0.75 4.35 4.26 1dc1A1 LEU 103 HB2 0.07 0.02 0.20 -0.04 1.64 1.88 1dc1A1 LEU 103 HB3 0.17 -0.06 0.06 -0.04 1.64 1.76 1dc1A1 LEU 103 HG 0.17 0.12 -0.14 -0.04 1.64 1.76 1dc1A1 LEU 103 HD13 0.18 -0.01 -0.04 -0.04 0.93 1.02 1dc1A1 LEU 103 HD23 0.18 0.03 -0.14 -0.04 0.89 0.92 1dc1A1 GLU 104 H 0.02 0.67 0.12 -0.55 8.60 8.87 1dc1A1 GLU 104 HA -0.05 -0.01 0.53 -0.75 4.29 4.00 1dc1A1 GLU 104 HB2 -0.02 0.22 0.15 -0.04 2.09 2.40 1dc1A1 GLU 104 HB3 -0.02 -0.04 0.00 -0.04 1.99 1.89 1dc1A1 GLU 104 HG2 -0.08 -0.07 0.07 -0.04 2.34 2.21 1dc1A1 GLU 104 HG3 -0.07 -0.06 0.04 -0.04 2.34 2.21 1dc1A1 PRO 105 HA 0.03 0.05 0.53 -0.51 4.44 4.54 1dc1A1 PRO 105 HB2 0.08 0.08 -0.09 -0.04 2.28 2.30 1dc1A1 PRO 105 HB3 0.03 -0.04 0.06 -0.04 2.02 2.03 1dc1A1 PRO 105 HG2 -0.02 0.32 -0.30 -0.04 2.03 1.99 1dc1A1 PRO 105 HG3 -0.02 0.01 -0.01 -0.04 2.03 1.98 1dc1A1 PRO 105 HD2 0.05 -0.10 -0.79 -0.04 3.68 2.80 1dc1A1 PRO 105 HD3 -0.01 0.21 -0.07 -0.04 3.65 3.74 1dc1A1 ALA 106 H 0.11 0.36 -0.54 -0.55 8.40 7.78 1dc1A1 ALA 106 HA 0.09 0.04 0.47 -0.75 4.34 4.18 1dc1A1 ALA 106 HB3 0.13 0.02 -0.08 -0.04 1.41 1.44 1dc1A1 GLY 107 H 0.08 0.41 -0.50 -0.55 8.43 7.87 1dc1A1 GLY 107 HA2 0.07 0.09 0.36 -0.51 4.01 4.02 1dc1A1 GLY 107 HA3 0.07 -0.04 0.31 -0.51 4.01 3.83 1dc1A1 GLU 108 H 0.07 0.14 0.25 -0.55 8.60 8.52 1dc1A1 GLU 108 HA 0.14 0.10 0.55 -0.75 4.29 4.33 1dc1A1 GLU 108 HB2 0.04 0.02 0.18 -0.04 2.09 2.28 1dc1A1 GLU 108 HB3 0.03 -0.00 0.08 -0.04 1.99 2.06 1dc1A1 GLU 108 HG2 0.05 -0.01 0.11 -0.04 2.34 2.44 1dc1A1 GLU 108 HG3 0.04 0.00 0.08 -0.04 2.34 2.41 1dc1A1 GLU 109 H 0.07 0.70 -0.09 -0.55 8.60 8.73 1dc1A1 GLU 109 HA -0.06 0.13 0.77 -0.75 4.29 4.37 1dc1A1 GLU 109 HB2 0.03 0.12 0.09 -0.04 2.09 2.29 1dc1A1 GLU 109 HB3 -0.05 -0.12 0.19 -0.04 1.99 1.98 1dc1A1 GLU 109 HG2 0.03 0.08 0.07 -0.04 2.34 2.48 1dc1A1 GLU 109 HG3 0.03 -0.01 0.04 -0.04 2.34 2.35 1dc1A1 PHE 110 H 0.21 0.45 -0.68 -0.55 8.34 7.77 1dc1A1 PHE 110 HA -0.00 0.06 0.42 -0.75 4.62 4.34 1dc1A1 PHE 110 HB2 0.02 -0.10 0.08 -0.04 3.15 3.11 1dc1A1 PHE 110 HB3 0.01 0.31 0.03 -0.04 3.06 3.37 1dc1A1 PHE 110 HD2 0.01 0.11 -0.12 -0.04 7.28 7.23 1dc1A1 PHE 110 HE2 0.00 0.09 -0.22 -0.04 7.38 7.21 1dc1A1 PHE 110 HZ 0.01 0.19 -0.63 -0.04 7.32 6.85 1dc1A1 ILE 111 H -0.72 0.22 -0.20 -0.55 8.25 7.00 1dc1A1 ILE 111 HA -0.33 0.10 0.41 -0.75 4.18 3.61 1dc1A1 ILE 111 HB -0.40 -0.00 0.07 -0.04 1.89 1.51 1dc1A1 ILE 111 HG12 -1.33 -0.01 -0.06 -0.04 1.49 0.06 1dc1A1 ILE 111 HG13 -0.40 0.09 -0.05 -0.04 1.21 0.82 1dc1A1 ILE 111 HG23 -0.20 0.00 -0.16 -0.04 0.93 0.53 1dc1A1 ILE 111 HD13 -0.23 0.02 -0.21 -0.04 0.88 0.42 1dc1A1 ASP 112 H -0.30 0.16 -0.15 -0.55 8.40 7.56 1dc1A1 ASP 112 HA -0.49 0.02 0.43 -0.75 4.63 3.83 1dc1A1 ASP 112 HB2 -0.35 0.08 0.10 -0.04 2.71 2.50 1dc1A1 ASP 112 HB3 -1.07 0.01 -0.03 -0.04 2.70 1.57 1dc1A1 GLU 113 H -0.16 0.46 -0.29 -0.55 8.60 8.06 1dc1A1 GLU 113 HA -0.03 0.01 0.40 -0.75 4.29 3.92 1dc1A1 GLU 113 HB2 0.05 0.07 0.06 -0.04 2.09 2.23 1dc1A1 GLU 113 HB3 0.09 0.10 0.07 -0.04 1.99 2.21 1dc1A1 GLU 113 HG2 0.17 0.09 -0.29 -0.04 2.34 2.26 1dc1A1 GLU 113 HG3 0.09 -0.05 -0.24 -0.04 2.34 2.09 1dc1A1 LEU 114 H -0.01 0.55 -0.20 -0.55 8.37 8.16 1dc1A1 LEU 114 HA 0.10 0.03 0.43 -0.75 4.35 4.15 1dc1A1 LEU 114 HB2 0.11 -0.01 0.09 -0.04 1.64 1.79 1dc1A1 LEU 114 HB3 0.00 0.16 0.20 -0.04 1.64 1.96 1dc1A1 LEU 114 HG 0.03 -0.03 -0.35 -0.04 1.64 1.25 1dc1A1 LEU 114 HD13 0.12 -0.02 -0.03 -0.04 0.93 0.95 1dc1A1 LEU 114 HD23 0.03 -0.01 -0.04 -0.04 0.89 0.84 1dc1A1 ILE 115 H -0.10 0.59 -0.03 -0.55 8.25 8.16 1dc1A1 ILE 115 HA 0.09 -0.00 0.44 -0.75 4.18 3.95 1dc1A1 ILE 115 HB -0.17 0.03 0.13 -0.04 1.89 1.84 1dc1A1 ILE 115 HG12 -0.13 0.33 0.02 -0.04 1.49 1.66 1dc1A1 ILE 115 HG13 -0.10 -0.04 -0.03 -0.04 1.21 1.00 1dc1A1 ILE 115 HG23 0.10 -0.01 -0.07 -0.04 0.93 0.90 1dc1A1 ILE 115 HD13 -0.08 0.01 -0.12 -0.04 0.88 0.64 1dc1A1 PHE 116 H -0.04 0.80 -0.08 -0.55 8.34 8.47 1dc1A1 PHE 116 HA -0.01 -0.03 0.41 -0.75 4.62 4.23 1dc1A1 PHE 116 HB2 -0.03 0.17 0.17 -0.04 3.15 3.42 1dc1A1 PHE 116 HB3 -0.06 -0.06 0.00 -0.04 3.06 2.90 1dc1A1 PHE 116 HD2 -0.01 -0.04 -0.07 -0.04 7.28 7.13 1dc1A1 PHE 116 HE2 -0.01 -0.02 -0.03 -0.04 7.38 7.28 1dc1A1 PHE 116 HZ -0.01 -0.02 -0.01 -0.04 7.32 7.24 1dc1A1 ARG 117 H 0.11 0.56 -0.19 -0.55 8.46 8.39 1dc1A1 ARG 117 HA -0.23 -0.02 0.54 -0.75 4.34 3.88 1dc1A1 ARG 117 HB2 0.09 0.10 0.21 -0.04 1.90 2.27 1dc1A1 ARG 117 HB3 0.10 0.15 0.09 -0.04 1.80 2.10 1dc1A1 ARG 117 HG2 -0.22 -0.08 0.05 -0.04 1.67 1.37 1dc1A1 ARG 117 HG3 -0.04 0.05 0.08 -0.04 1.67 1.72 1dc1A1 ARG 117 HD2 -0.00 -0.03 -0.10 -0.04 3.22 3.05 1dc1A1 ARG 117 HD3 -0.11 0.05 -0.01 -0.04 3.22 3.11 1dc1A1 TYR 118 H 0.25 0.71 -0.02 -0.55 8.29 8.68 1dc1A1 TYR 118 HA 0.24 -0.01 0.43 -0.75 4.56 4.47 1dc1A1 TYR 118 HB2 0.11 0.04 0.11 -0.04 3.06 3.28 1dc1A1 TYR 118 HB3 0.08 0.13 0.22 -0.04 2.98 3.36 1dc1A1 TYR 118 HD2 0.10 0.08 0.01 -0.04 7.15 7.30 1dc1A1 TYR 118 HE2 0.01 -0.02 -0.06 -0.04 6.85 6.74 1dc1A1 LEU 119 H 0.17 0.63 -0.14 -0.55 8.37 8.48 1dc1A1 LEU 119 HA -0.09 -0.02 0.44 -0.75 4.35 3.92 1dc1A1 LEU 119 HB2 0.09 0.14 0.17 -0.04 1.64 2.00 1dc1A1 LEU 119 HB3 0.01 -0.06 -0.04 -0.04 1.64 1.51 1dc1A1 LEU 119 HG 0.26 0.03 0.04 -0.04 1.64 1.93 1dc1A1 LEU 119 HD13 0.17 -0.01 -0.06 -0.04 0.93 0.98 1dc1A1 LEU 119 HD23 0.10 -0.02 -0.05 -0.04 0.89 0.88 1dc1A1 LEU 120 H -0.10 0.66 -0.01 -0.55 8.37 8.37 1dc1A1 LEU 120 HA -0.13 -0.03 0.45 -0.75 4.35 3.89 1dc1A1 LEU 120 HB2 -0.23 0.08 0.17 -0.04 1.64 1.62 1dc1A1 LEU 120 HB3 -0.59 0.11 0.20 -0.04 1.64 1.32 1dc1A1 LEU 120 HG -0.34 -0.03 -0.15 -0.04 1.64 1.08 1dc1A1 LEU 120 HD13 -0.13 -0.02 0.05 -0.04 0.93 0.79 1dc1A1 LEU 120 HD23 -0.38 0.00 -0.01 -0.04 0.89 0.47 1dc1A1 PHE 121 H -0.19 0.63 -0.17 -0.55 8.34 8.06 1dc1A1 PHE 121 HA 0.07 0.01 0.56 -0.75 4.62 4.51 1dc1A1 PHE 121 HB2 0.21 0.15 0.08 -0.04 3.15 3.54 1dc1A1 PHE 121 HB3 0.12 -0.10 -0.02 -0.04 3.06 3.03 1dc1A1 PHE 121 HD2 0.05 -0.02 0.02 -0.04 7.28 7.29 1dc1A1 PHE 121 HE2 -0.02 0.08 -0.01 -0.04 7.38 7.39 1dc1A1 PHE 121 HZ -0.05 -0.02 -0.03 -0.04 7.32 7.19 1dc1A1 GLN 122 H -0.00 0.65 -0.07 -0.55 8.47 8.50 1dc1A1 GLN 122 HA -0.17 -0.06 0.44 -0.75 4.36 3.81 1dc1A1 GLN 122 HB2 -0.31 0.17 0.23 -0.04 2.15 2.20 1dc1A1 GLN 122 HB3 -0.11 -0.10 0.06 -0.04 2.02 1.82 1dc1A1 GLN 122 HG2 -0.89 0.07 0.07 -0.04 2.40 1.61 1dc1A1 GLN 122 HG3 -1.39 -0.03 -0.03 -0.04 2.39 0.91 1dc1A1 GLN 122 HE21 -0.80 -0.04 0.01 -0.04 6.97 6.10 1dc1A1 GLN 122 HE22 -2.37 0.04 -0.01 -0.04 7.69 5.31 1dc1A1 GLY 123 H -0.03 0.53 -0.49 -0.55 8.43 7.90 1dc1A1 GLY 123 HA2 -0.16 -0.02 0.43 -0.51 4.01 3.76 1dc1A1 GLY 123 HA3 -0.06 0.13 0.31 -0.51 4.01 3.88 1dc1A1 ASP 124 H 0.09 0.50 -0.24 -0.55 8.40 8.20 1dc1A1 ASP 124 HA 0.04 0.03 0.56 -0.75 4.63 4.51 1dc1A1 ASP 124 HB2 0.13 0.11 0.16 -0.04 2.71 3.06 1dc1A1 ASP 124 HB3 0.14 0.03 0.07 -0.04 2.70 2.89 1dc1A1 SER 125 H 0.09 0.31 -0.20 -0.55 8.46 8.11 1dc1A1 SER 125 HA 0.11 -0.00 0.56 -0.75 4.49 4.40 1dc1A1 SER 125 HB2 0.14 -0.04 0.16 -0.04 3.95 4.17 1dc1A1 SER 125 HB3 0.05 0.24 0.22 -0.04 3.93 4.40 1dc1A1 LEU 126 H -0.21 0.60 -0.02 -0.55 8.37 8.18 1dc1A1 LEU 126 HA -0.24 0.03 0.48 -0.75 4.35 3.87 1dc1A1 LEU 126 HB2 -1.46 0.02 0.10 -0.04 1.64 0.26 1dc1A1 LEU 126 HB3 -0.42 0.10 0.16 -0.04 1.64 1.44 1dc1A1 LEU 126 HG -0.19 -0.04 -0.28 -0.04 1.64 1.08 1dc1A1 LEU 126 HD13 -0.24 0.00 -0.03 -0.04 0.93 0.62 1dc1A1 LEU 126 HD23 -0.26 0.01 -0.03 -0.04 0.89 0.57 1dc1A1 GLY 127 H -0.05 0.52 -0.22 -0.55 8.43 8.13 1dc1A1 GLY 127 HA2 0.05 -0.01 0.42 -0.51 4.01 3.97 1dc1A1 GLY 127 HA3 0.04 0.08 0.32 -0.51 4.01 3.94 1dc1A1 GLY 128 H 0.04 0.54 -0.21 -0.55 8.43 8.26 1dc1A1 GLY 128 HA2 0.06 -0.03 0.42 -0.51 4.01 3.95 1dc1A1 GLY 128 HA3 0.06 0.07 0.35 -0.51 4.01 3.98 1dc1A1 THR 129 H 0.04 0.58 -0.08 -0.55 8.28 8.27 1dc1A1 THR 129 HA 0.05 -0.00 0.41 -0.75 4.39 4.09 1dc1A1 THR 129 HB 0.05 0.14 0.24 -0.04 4.32 4.71 1dc1A1 THR 129 HG23 0.06 -0.01 -0.12 -0.04 1.22 1.11 1dc1A1 MET 130 H -0.00 0.63 -0.16 -0.55 8.47 8.39 1dc1A1 MET 130 HA -0.11 -0.00 0.44 -0.75 4.52 4.09 1dc1A1 MET 130 HB2 0.04 0.16 0.19 -0.04 2.15 2.50 1dc1A1 MET 130 HB3 -0.29 -0.10 0.01 -0.04 2.03 1.61 1dc1A1 MET 130 HG2 -0.11 0.18 0.05 -0.04 2.63 2.70 1dc1A1 MET 130 HG3 -0.20 -0.05 -0.00 -0.04 2.56 2.26 1dc1A1 MET 130 HE3 -0.79 -0.03 0.00 -0.04 2.10 1.24 1dc1A1 ARG 131 H 0.08 0.53 -0.16 -0.55 8.46 8.36 1dc1A1 ARG 131 HA 0.15 -0.05 0.50 -0.75 4.34 4.20 1dc1A1 ARG 131 HB2 0.06 0.18 0.21 -0.04 1.90 2.31 1dc1A1 ARG 131 HB3 0.05 -0.08 0.08 -0.04 1.80 1.81 1dc1A1 ARG 131 HG2 0.09 -0.12 0.05 -0.04 1.67 1.65 1dc1A1 ARG 131 HG3 0.15 0.17 0.07 -0.04 1.67 2.02 1dc1A1 ARG 131 HD2 0.07 0.05 -0.07 -0.04 3.22 3.22 1dc1A1 ARG 131 HD3 0.05 -0.04 0.01 -0.04 3.22 3.21 1dc1A1 ASN 132 H 0.04 0.49 -0.14 -0.55 8.53 8.37 1dc1A1 ASN 132 HA 0.02 -0.00 0.42 -0.75 4.76 4.44 1dc1A1 ASN 132 HB2 0.03 0.17 0.18 -0.04 2.88 3.22 1dc1A1 ASN 132 HB3 0.02 -0.02 0.02 -0.04 2.79 2.77 1dc1A1 ASN 132 HD21 0.04 -0.07 0.00 -0.04 7.03 6.96 1dc1A1 ASN 132 HD22 0.04 0.27 0.02 -0.04 7.74 8.03 1dc1A1 ILE 133 H -0.00 0.48 -0.12 -0.55 8.25 8.06 1dc1A1 ILE 133 HA -0.02 0.03 0.47 -0.75 4.18 3.91 1dc1A1 ILE 133 HB -0.08 0.07 0.20 -0.04 1.89 2.04 1dc1A1 ILE 133 HG12 -0.03 -0.03 0.04 -0.04 1.49 1.43 1dc1A1 ILE 133 HG13 -0.01 0.15 0.07 -0.04 1.21 1.37 1dc1A1 ILE 133 HG23 -0.08 -0.02 -0.12 -0.04 0.93 0.67 1dc1A1 ILE 133 HD13 -0.04 -0.02 -0.07 -0.04 0.88 0.70 1dc1A1 ALA 134 H 0.01 0.61 -0.13 -0.55 8.40 8.35 1dc1A1 ALA 134 HA 0.01 0.00 0.37 -0.75 4.34 3.97 1dc1A1 ALA 134 HB3 0.13 0.04 0.10 -0.04 1.41 1.64 1dc1A1 GLY 135 H 0.01 0.44 -0.25 -0.55 8.43 8.08 1dc1A1 GLY 135 HA2 -0.02 -0.12 0.45 -0.51 4.01 3.81 1dc1A1 GLY 135 HA3 -0.01 0.10 0.33 -0.51 4.01 3.92 1dc1A1 ALA 136 H -0.03 0.54 -0.04 -0.55 8.40 8.33 1dc1A1 ALA 136 HA -0.07 0.03 0.40 -0.75 4.34 3.94 1dc1A1 ALA 136 HB3 -0.04 0.05 0.12 -0.04 1.41 1.50 1dc1A1 LEU 137 H -0.05 0.63 -0.12 -0.55 8.37 8.29 1dc1A1 LEU 137 HA -0.09 0.03 0.45 -0.75 4.35 3.98 1dc1A1 LEU 137 HB2 -0.05 0.09 0.11 -0.04 1.64 1.75 1dc1A1 LEU 137 HB3 -0.06 -0.07 0.01 -0.04 1.64 1.49 1dc1A1 LEU 137 HG -0.06 0.16 0.05 -0.04 1.64 1.74 1dc1A1 LEU 137 HD13 -0.06 -0.02 -0.07 -0.04 0.93 0.74 1dc1A1 LEU 137 HD23 -0.08 -0.01 -0.01 -0.04 0.89 0.75 1dc1A1 ALA 138 H -0.06 0.46 -0.26 -0.55 8.40 7.99 1dc1A1 ALA 138 HA -0.06 -0.01 0.43 -0.75 4.34 3.95 1dc1A1 ALA 138 HB3 -0.05 0.04 0.10 -0.04 1.41 1.46 1dc1A1 GLN 139 H -0.11 0.58 -0.02 -0.55 8.47 8.38 1dc1A1 GLN 139 HA -0.23 -0.03 0.43 -0.75 4.36 3.77 1dc1A1 GLN 139 HB2 -0.27 -0.04 0.11 -0.04 2.15 1.90 1dc1A1 GLN 139 HB3 -0.21 0.17 0.21 -0.04 2.02 2.15 1dc1A1 GLN 139 HG2 -0.43 0.08 -0.26 -0.04 2.40 1.75 1dc1A1 GLN 139 HG3 -1.31 -0.08 -0.03 -0.04 2.39 0.93 1dc1A1 GLN 139 HE21 -0.07 -0.03 0.01 -0.04 6.97 6.84 1dc1A1 GLN 139 HE22 -0.22 0.18 0.00 -0.04 7.69 7.61 1dc1A1 GLN 140 H -0.15 0.57 -0.20 -0.55 8.47 8.15 1dc1A1 GLN 140 HA -0.14 0.10 0.42 -0.75 4.36 3.99 1dc1A1 GLN 140 HB2 -0.12 0.12 0.13 -0.04 2.15 2.24 1dc1A1 GLN 140 HB3 -0.13 -0.16 -0.11 -0.04 2.02 1.57 1dc1A1 GLN 140 HG2 -0.15 0.31 -0.05 -0.04 2.40 2.47 1dc1A1 GLN 140 HG3 -0.14 0.16 0.06 -0.04 2.39 2.44 1dc1A1 GLN 140 HE21 -0.15 -0.07 -0.02 -0.04 6.97 6.68 1dc1A1 GLN 140 HE22 -0.12 0.06 -0.03 -0.04 7.69 7.56 1dc1A1 LYS 141 H -0.09 0.48 -0.26 -0.55 8.42 7.99 1dc1A1 LYS 141 HA -0.08 -0.02 0.40 -0.75 4.32 3.86 1dc1A1 LYS 141 HB2 -0.07 0.07 0.12 -0.04 1.87 1.95 1dc1A1 LYS 141 HB3 -0.06 0.13 0.13 -0.04 1.79 1.95 1dc1A1 LYS 141 HG2 -0.05 -0.02 -0.19 -0.04 1.46 1.16 1dc1A1 LYS 141 HG3 -0.06 -0.06 0.03 -0.04 1.46 1.33 1dc1A1 LYS 141 HD2 -0.05 -0.02 -0.03 -0.04 1.69 1.54 1dc1A1 LYS 141 HD3 -0.05 -0.03 -0.05 -0.04 1.68 1.51 1dc1A1 LYS 141 HE2 -0.05 0.14 -0.00 -0.04 2.99 3.04 1dc1A1 LYS 141 HE3 -0.05 -0.07 -0.03 -0.04 2.99 2.80 1dc1A1 LEU 142 H -0.06 0.52 -0.15 -0.55 8.37 8.13 1dc1A1 LEU 142 HA -0.01 0.01 0.44 -0.75 4.35 4.03 1dc1A1 LEU 142 HB2 0.01 -0.04 0.03 -0.04 1.64 1.60 1dc1A1 LEU 142 HB3 0.05 0.17 0.09 -0.04 1.64 1.91 1dc1A1 LEU 142 HG 0.13 0.01 -0.27 -0.04 1.64 1.47 1dc1A1 LEU 142 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 1dc1A1 LEU 142 HD23 0.21 -0.00 -0.14 -0.04 0.89 0.91 1dc1A1 THR 143 H -0.03 0.61 -0.15 -0.55 8.28 8.17 1dc1A1 THR 143 HA 0.09 0.03 0.35 -0.75 4.39 4.11 1dc1A1 THR 143 HB -0.04 0.08 0.16 -0.04 4.32 4.48 1dc1A1 THR 143 HG23 0.04 -0.03 -0.12 -0.04 1.22 1.06 1dc1A1 ARG 144 H -0.07 0.65 -0.17 -0.55 8.46 8.33 1dc1A1 ARG 144 HA -0.10 -0.06 0.43 -0.75 4.34 3.86 1dc1A1 ARG 144 HB2 -0.11 0.06 0.13 -0.04 1.90 1.94 1dc1A1 ARG 144 HB3 -0.08 0.18 0.12 -0.04 1.80 1.98 1dc1A1 ARG 144 HG2 -0.11 -0.01 -0.02 -0.04 1.67 1.50 1dc1A1 ARG 144 HG3 -0.09 -0.00 -0.18 -0.04 1.67 1.36 1dc1A1 ARG 144 HD2 -0.14 -0.05 0.07 -0.04 3.22 3.06 1dc1A1 ARG 144 HD3 -0.16 -0.04 0.03 -0.04 3.22 3.00 1dc1A1 ALA 145 H -0.06 0.46 -0.33 -0.55 8.40 7.92 1dc1A1 ALA 145 HA -0.06 -0.02 0.40 -0.75 4.34 3.90 1dc1A1 ALA 145 HB3 -0.05 0.04 0.02 -0.04 1.41 1.39 1dc1A1 ILE 146 H -0.06 0.47 -0.19 -0.55 8.25 7.91 1dc1A1 ILE 146 HA -0.16 0.06 0.42 -0.75 4.18 3.74 1dc1A1 ILE 146 HB -0.06 0.05 0.13 -0.04 1.89 1.97 1dc1A1 ILE 146 HG12 -0.02 0.05 -0.03 -0.04 1.49 1.44 1dc1A1 ILE 146 HG13 0.04 -0.03 -0.13 -0.04 1.21 1.05 1dc1A1 ILE 146 HG23 -0.28 0.00 -0.20 -0.04 0.93 0.40 1dc1A1 ILE 146 HD13 -0.08 -0.00 -0.08 -0.04 0.88 0.68 1dc1A1 ILE 147 H -0.15 0.73 0.01 -0.55 8.25 8.29 1dc1A1 ILE 147 HA -0.36 0.08 0.41 -0.75 4.18 3.56 1dc1A1 ILE 147 HB -0.21 -0.03 0.05 -0.04 1.89 1.66 1dc1A1 ILE 147 HG12 -0.12 0.19 0.18 -0.04 1.49 1.69 1dc1A1 ILE 147 HG13 -0.08 -0.02 -0.05 -0.04 1.21 1.02 1dc1A1 ILE 147 HG23 -0.41 0.04 -0.02 -0.04 0.93 0.50 1dc1A1 ILE 147 HD13 -0.11 -0.04 -0.05 -0.04 0.88 0.64 1dc1A1 SER 148 H -0.10 0.57 -0.25 -0.55 8.46 8.13 1dc1A1 SER 148 HA -0.03 -0.01 0.42 -0.75 4.49 4.11 1dc1A1 SER 148 HB2 -0.05 0.00 0.09 -0.04 3.95 3.95 1dc1A1 SER 148 HB3 -0.06 0.09 0.15 -0.04 3.93 4.07 1dc1A1 ALA 149 H -0.10 0.50 -0.28 -0.55 8.40 7.98 1dc1A1 ALA 149 HA -0.07 -0.04 0.38 -0.75 4.34 3.86 1dc1A1 ALA 149 HB3 -0.14 0.06 0.03 -0.04 1.41 1.32 1dc1A1 LEU 150 H -0.17 0.46 -0.22 -0.55 8.37 7.89 1dc1A1 LEU 150 HA -0.13 0.04 0.40 -0.75 4.35 3.91 1dc1A1 LEU 150 HB2 -0.06 0.00 0.13 -0.04 1.64 1.67 1dc1A1 LEU 150 HB3 0.08 0.23 0.01 -0.04 1.64 1.92 1dc1A1 LEU 150 HG -0.48 0.06 -0.02 -0.04 1.64 1.15 1dc1A1 LEU 150 HD13 -0.36 -0.03 -0.16 -0.04 0.93 0.33 1dc1A1 LEU 150 HD23 -0.54 0.01 -0.07 -0.04 0.89 0.25 1dc1A1 ASP 151 H 0.01 0.61 -0.10 -0.55 8.40 8.36 1dc1A1 ASP 151 HA 0.06 0.02 0.36 -0.75 4.63 4.31 1dc1A1 ASP 151 HB2 0.02 0.07 0.21 -0.04 2.71 2.96 1dc1A1 ASP 151 HB3 0.03 -0.07 -0.00 -0.04 2.70 2.61 1dc1A1 ILE 152 H -0.02 0.77 -0.03 -0.55 8.25 8.43 1dc1A1 ILE 152 HA -0.00 -0.02 0.43 -0.75 4.18 3.84 1dc1A1 ILE 152 HB -0.03 0.12 0.12 -0.04 1.89 2.05 1dc1A1 ILE 152 HG12 -0.01 -0.07 0.03 -0.04 1.49 1.39 1dc1A1 ILE 152 HG13 -0.01 -0.05 0.04 -0.04 1.21 1.14 1dc1A1 ILE 152 HG23 -0.01 -0.02 -0.03 -0.04 0.93 0.82 1dc1A1 ILE 152 HD13 -0.02 -0.00 -0.12 -0.04 0.88 0.69 1dc1A1 ALA 153 H -0.02 0.33 -0.52 -0.55 8.40 7.64 1dc1A1 ALA 153 HA -0.01 0.04 0.56 -0.75 4.34 4.18 1dc1A1 ALA 153 HB3 -0.04 -0.01 0.10 -0.04 1.41 1.42 1dc1A1 ASN 154 H 0.01 0.40 -0.48 -0.55 8.53 7.91 1dc1A1 ASN 154 HA 0.02 0.00 0.31 -0.75 4.76 4.33 1dc1A1 ASN 154 HB2 0.01 -0.02 -0.08 -0.04 2.88 2.75 1dc1A1 ASN 154 HB3 0.01 0.13 0.13 -0.04 2.79 3.01 1dc1A1 ASN 154 HD21 0.01 -0.07 0.06 -0.04 7.03 6.98 1dc1A1 ASN 154 HD22 0.01 0.00 0.07 -0.04 7.74 7.78 1dc1A1 ILE 155 H 0.03 0.61 -0.05 -0.55 8.25 8.30 1dc1A1 ILE 155 HA 0.05 0.19 1.00 -0.75 4.18 4.66 1dc1A1 ILE 155 HB -0.00 -0.07 0.13 -0.04 1.89 1.91 1dc1A1 ILE 155 HG12 0.03 -0.02 0.01 -0.04 1.49 1.47 1dc1A1 ILE 155 HG13 0.01 0.16 -0.43 -0.04 1.21 0.91 1dc1A1 ILE 155 HG23 0.11 0.04 -0.06 -0.04 0.93 0.98 1dc1A1 ILE 155 HD13 -0.05 -0.02 -0.03 -0.04 0.88 0.74 1dc1A1 PRO 156 HA 0.01 0.06 0.50 -0.51 4.44 4.50 1dc1A1 PRO 156 HB2 0.04 0.01 0.03 -0.04 2.28 2.31 1dc1A1 PRO 156 HB3 0.00 0.00 0.10 -0.04 2.02 2.09 1dc1A1 PRO 156 HG2 0.08 -0.00 0.04 -0.04 2.03 2.11 1dc1A1 PRO 156 HG3 0.04 0.01 0.07 -0.04 2.03 2.10 1dc1A1 PRO 156 HD2 0.07 0.11 0.27 -0.04 3.68 4.08 1dc1A1 PRO 156 HD3 0.04 0.17 0.11 -0.04 3.65 3.94 1dc1A1 TYR 157 H -0.18 0.19 0.30 -0.55 8.29 8.06 1dc1A1 TYR 157 HA 0.23 0.23 0.81 -0.75 4.56 5.08 1dc1A1 TYR 157 HB2 0.34 0.07 0.15 -0.04 3.06 3.58 1dc1A1 TYR 157 HB3 0.20 0.12 -0.25 -0.04 2.98 3.01 1dc1A1 TYR 157 HD2 0.19 0.17 -0.28 -0.04 7.15 7.19 1dc1A1 TYR 157 HE2 0.00 -0.01 -0.08 -0.04 6.85 6.73 1dc1A1 LYS 158 H 0.47 0.55 0.42 -0.55 8.42 9.30 1dc1A1 LYS 158 HA 0.43 0.21 1.05 -0.75 4.32 5.25 1dc1A1 LYS 158 HB2 0.30 -0.05 0.03 -0.04 1.87 2.12 1dc1A1 LYS 158 HB3 0.45 -0.00 -0.08 -0.04 1.79 2.11 1dc1A1 LYS 158 HG2 0.19 -0.03 -0.21 -0.04 1.46 1.37 1dc1A1 LYS 158 HG3 0.17 -0.04 -0.24 -0.04 1.46 1.31 1dc1A1 LYS 158 HD2 0.03 0.01 -0.11 -0.04 1.69 1.57 1dc1A1 LYS 158 HD3 0.15 0.01 -0.19 -0.04 1.68 1.61 1dc1A1 LYS 158 HE2 0.03 0.01 -0.09 -0.04 2.99 2.90 1dc1A1 LYS 158 HE3 0.08 0.00 -0.12 -0.04 2.99 2.91 1dc1A1 TRP 159 H 0.48 0.77 0.37 -0.55 7.97 9.04 1dc1A1 TRP 159 HA 0.45 0.23 0.98 -0.75 4.62 5.52 1dc1A1 TRP 159 HB2 0.18 0.04 0.11 -0.04 3.23 3.52 1dc1A1 TRP 159 HB3 0.43 0.00 -0.23 -0.04 3.23 3.38 1dc1A1 TRP 159 HD1 0.18 0.09 -0.40 -0.04 7.22 7.06 1dc1A1 TRP 159 HE1 0.08 0.14 -0.15 -0.04 10.20 10.24 1dc1A1 TRP 159 HE3 0.07 0.06 -0.25 -0.04 7.59 7.43 1dc1A1 TRP 159 HZ2 0.06 -0.00 -0.04 -0.04 7.44 7.42 1dc1A1 TRP 159 HZ3 0.13 0.08 -0.18 -0.04 7.13 7.12 1dc1A1 TRP 159 HH2 0.08 -0.03 -0.03 -0.04 7.19 7.17 1dc1A1 LEU 160 H -0.14 0.48 0.25 -0.55 8.37 8.41 1dc1A1 LEU 160 HA -0.88 0.23 0.81 -0.75 4.35 3.76 1dc1A1 LEU 160 HB2 -2.45 0.04 -0.13 -0.04 1.64 -0.94 1dc1A1 LEU 160 HB3 -0.62 -0.15 0.07 -0.04 1.64 0.90 1dc1A1 LEU 160 HG -0.33 0.05 -0.24 -0.04 1.64 1.07 1dc1A1 LEU 160 HD13 -1.02 -0.01 -0.43 -0.04 0.93 -0.58 1dc1A1 LEU 160 HD23 -0.42 0.04 -0.21 -0.04 0.89 0.26 1dc1A1 ASP 161 H -0.56 0.23 0.20 -0.55 8.40 7.71 1dc1A1 ASP 161 HA 0.10 0.33 0.71 -0.75 4.63 5.02 1dc1A1 ASP 161 HB2 -0.58 0.08 0.20 -0.04 2.71 2.37 1dc1A1 ASP 161 HB3 -0.21 -0.11 0.21 -0.04 2.70 2.55 1dc1A1 SER 162 H 0.25 0.76 0.33 -0.55 8.46 9.25 1dc1A1 SER 162 HA 0.44 0.10 0.38 -0.75 4.49 4.65 1dc1A1 SER 162 HB2 0.22 0.01 -0.00 -0.04 3.95 4.13 1dc1A1 SER 162 HB3 0.18 0.01 -0.18 -0.04 3.93 3.90 1dc1A1 ARG 163 H 0.02 0.02 -0.30 -0.55 8.46 7.64 1dc1A1 ARG 163 HA -0.04 0.10 0.41 -0.75 4.34 4.06 1dc1A1 ARG 163 HB2 -0.21 -0.03 0.06 -0.04 1.90 1.68 1dc1A1 ARG 163 HB3 -0.20 0.00 -0.03 -0.04 1.80 1.53 1dc1A1 ARG 163 HG2 -0.31 0.02 0.03 -0.04 1.67 1.37 1dc1A1 ARG 163 HG3 -0.44 -0.00 0.00 -0.04 1.67 1.19 1dc1A1 ARG 163 HD2 -0.58 -0.01 0.00 -0.04 3.22 2.59 1dc1A1 ARG 163 HD3 -2.32 0.02 -0.01 -0.04 3.22 0.88 1dc1A1 ASP 164 H -0.11 0.21 -0.14 -0.55 8.40 7.82 1dc1A1 ASP 164 HA -0.14 0.31 1.27 -0.75 4.63 5.31 1dc1A1 ASP 164 HB2 -0.12 0.01 0.06 -0.04 2.71 2.62 1dc1A1 ASP 164 HB3 -0.15 -0.11 0.11 -0.04 2.70 2.51 1dc1A1 LYS 165 H -0.23 0.21 0.05 -0.55 8.42 7.91 1dc1A1 LYS 165 HA -1.12 0.17 0.28 -0.75 4.32 2.91 1dc1A1 LYS 165 HB2 -0.20 -0.03 0.05 -0.04 1.87 1.64 1dc1A1 LYS 165 HB3 -0.26 0.04 0.10 -0.04 1.79 1.64 1dc1A1 LYS 165 HG2 -0.12 -0.00 0.07 -0.04 1.46 1.36 1dc1A1 LYS 165 HG3 -0.09 -0.00 0.03 -0.04 1.46 1.35 1dc1A1 LYS 165 HD2 -0.31 0.02 -0.08 -0.04 1.69 1.28 1dc1A1 LYS 165 HD3 -0.19 -0.10 -0.41 -0.04 1.68 0.95 1dc1A1 LYS 165 HE2 -0.00 0.00 0.01 -0.04 2.99 2.96 1dc1A1 LYS 165 HE3 0.01 -0.09 0.00 -0.04 2.99 2.87 1dc1A1 LYS 166 H -0.27 -0.02 -0.69 -0.55 8.42 6.88 1dc1A1 LYS 166 HA -0.13 0.10 0.35 -0.75 4.32 3.89 1dc1A1 LYS 166 HB2 -0.11 -0.13 -0.01 -0.04 1.87 1.58 1dc1A1 LYS 166 HB3 -0.08 0.05 0.01 -0.04 1.79 1.73 1dc1A1 LYS 166 HG2 -0.14 -0.05 -0.04 -0.04 1.46 1.19 1dc1A1 LYS 166 HG3 -0.13 -0.03 -0.01 -0.04 1.46 1.25 1dc1A1 LYS 166 HD2 -0.07 0.05 -0.02 -0.04 1.69 1.61 1dc1A1 LYS 166 HD3 -0.07 0.01 -0.02 -0.04 1.68 1.55 1dc1A1 LYS 166 HE2 -0.06 0.01 -0.02 -0.04 2.99 2.88 1dc1A1 LYS 166 HE3 -0.06 0.02 -0.01 -0.04 2.99 2.90 1dc1A1 TYR 167 H -0.24 0.29 -0.07 -0.55 8.29 7.72 1dc1A1 TYR 167 HA -0.19 0.00 0.24 -0.75 4.56 3.86 1dc1A1 TYR 167 HB2 -0.03 0.25 -0.14 -0.04 3.06 3.10 1dc1A1 TYR 167 HB3 -0.05 -0.03 0.12 -0.04 2.98 2.99 1dc1A1 TYR 167 HD2 -0.07 -0.01 -0.06 -0.04 7.15 6.98 1dc1A1 TYR 167 HE2 -0.01 -0.05 -0.00 -0.04 6.85 6.75 1dc1A1 THR 168 H -0.08 -0.22 -0.02 -0.55 8.28 7.41 1dc1A1 THR 168 HA 0.09 0.24 0.65 -0.75 4.39 4.61 1dc1A1 THR 168 HB 0.01 0.08 -0.42 -0.04 4.32 3.95 1dc1A1 THR 168 HG23 -0.01 -0.03 -0.19 -0.04 1.22 0.95 1dc1A1 ASN 169 H -0.15 -0.12 0.09 -0.55 8.53 7.80 1dc1A1 ASN 169 HA -0.05 0.16 0.49 -0.75 4.76 4.61 1dc1A1 ASN 169 HB2 -0.12 -0.04 0.14 -0.04 2.88 2.81 1dc1A1 ASN 169 HB3 -0.23 -0.06 0.26 -0.04 2.79 2.72 1dc1A1 ASN 169 HD21 -0.10 0.02 0.00 -0.04 7.03 6.91 1dc1A1 ASN 169 HD22 -0.13 -0.05 0.05 -0.04 7.74 7.56 1dc1A1 TRP 170 H 0.19 0.42 0.17 -0.55 7.97 8.21 1dc1A1 TRP 170 HA -0.14 0.13 0.51 -0.75 4.62 4.37 1dc1A1 TRP 170 HB2 -0.04 0.03 0.10 -0.04 3.23 3.28 1dc1A1 TRP 170 HB3 -0.02 -0.02 -0.10 -0.04 3.23 3.05 1dc1A1 TRP 170 HD1 -0.05 0.17 -0.07 -0.04 7.22 7.23 1dc1A1 TRP 170 HE1 -0.05 0.08 -0.15 -0.04 10.20 10.04 1dc1A1 TRP 170 HE3 0.09 -0.02 -0.52 -0.04 7.59 7.10 1dc1A1 TRP 170 HZ2 -0.03 0.07 -0.18 -0.04 7.44 7.25 1dc1A1 TRP 170 HZ3 0.18 0.03 -0.44 -0.04 7.13 6.86 1dc1A1 TRP 170 HH2 0.05 0.07 -0.22 -0.04 7.19 7.05 1dc1A1 MET 171 H -0.27 0.79 0.42 -0.55 8.47 8.87 1dc1A1 MET 171 HA 0.01 0.17 1.04 -0.75 4.52 4.98 1dc1A1 MET 171 HB2 -0.87 0.01 0.09 -0.04 2.15 1.34 1dc1A1 MET 171 HB3 -0.02 0.04 0.07 -0.04 2.03 2.08 1dc1A1 MET 171 HG2 -0.14 -0.03 -0.05 -0.04 2.63 2.37 1dc1A1 MET 171 HG3 -0.31 0.07 -0.38 -0.04 2.56 1.90 1dc1A1 MET 171 HE3 0.05 0.00 -0.00 -0.04 2.10 2.11 1dc1A1 ASP 172 H 0.11 0.10 0.16 -0.55 8.40 8.23 1dc1A1 ASP 172 HA 0.18 0.09 0.60 -0.75 4.63 4.74 1dc1A1 ASP 172 HB2 0.11 -0.06 0.10 -0.04 2.71 2.81 1dc1A1 ASP 172 HB3 0.08 0.13 0.04 -0.04 2.70 2.91 1dc1A1 LYS 173 H 0.02 0.43 0.37 -0.55 8.42 8.69 1dc1A1 LYS 173 HA -0.01 -0.00 0.38 -0.75 4.32 3.93 1dc1A1 LYS 173 HB2 -1.55 -0.02 0.12 -0.04 1.87 0.38 1dc1A1 LYS 173 HB3 -0.42 -0.06 0.26 -0.04 1.79 1.52 1dc1A1 LYS 173 HG2 -0.19 0.27 -0.40 -0.04 1.46 1.10 1dc1A1 LYS 173 HG3 -0.39 -0.09 -0.02 -0.04 1.46 0.91 1dc1A1 LYS 173 HD2 -0.55 -0.02 0.01 -0.04 1.69 1.09 1dc1A1 LYS 173 HD3 -0.21 -0.06 -0.05 -0.04 1.68 1.33 1dc1A1 LYS 173 HE2 0.00 -0.09 -0.04 -0.04 2.99 2.82 1dc1A1 LYS 173 HE3 -0.03 -0.01 -0.05 -0.04 2.99 2.86 1dc1A1 PRO 174 HA 0.06 0.10 0.53 -0.51 4.44 4.62 1dc1A1 PRO 174 HB2 0.02 -0.01 -0.07 -0.04 2.28 2.19 1dc1A1 PRO 174 HB3 0.09 0.02 0.08 -0.04 2.02 2.17 1dc1A1 PRO 174 HG2 -0.09 0.07 -0.03 -0.04 2.03 1.93 1dc1A1 PRO 174 HG3 -0.02 0.03 0.04 -0.04 2.03 2.04 1dc1A1 PRO 174 HD2 -0.15 0.01 0.10 -0.04 3.68 3.60 1dc1A1 PRO 174 HD3 -0.18 0.15 0.16 -0.04 3.65 3.74 1dc1A1 GLU 175 H 0.02 0.10 0.09 -0.55 8.60 8.26 1dc1A1 GLU 175 HA -0.01 0.12 0.27 -0.75 4.29 3.92 1dc1A1 GLU 175 HB2 0.01 0.02 0.11 -0.04 2.09 2.19 1dc1A1 GLU 175 HB3 0.01 -0.06 0.10 -0.04 1.99 2.00 1dc1A1 GLU 175 HG2 0.01 -0.02 -0.02 -0.04 2.34 2.26 1dc1A1 GLU 175 HG3 0.01 -0.00 -0.19 -0.04 2.34 2.12 1dc1A1 ASP 176 H 0.01 0.11 -0.18 -0.55 8.40 7.80 1dc1A1 ASP 176 HA 0.02 0.19 0.83 -0.75 4.63 4.92 1dc1A1 ASP 176 HB2 0.01 0.03 0.02 -0.04 2.71 2.73 1dc1A1 ASP 176 HB3 0.02 0.01 0.14 -0.04 2.70 2.83 1dc1A1 ASP 177 H 0.02 0.24 -0.04 -0.55 8.40 8.07 1dc1A1 ASP 177 HA -0.06 0.24 0.73 -0.75 4.63 4.78 1dc1A1 ASP 177 HB2 -0.03 -0.09 0.14 -0.04 2.71 2.68 1dc1A1 ASP 177 HB3 -0.01 0.17 -0.01 -0.04 2.70 2.81 1dc1A1 TYR 178 H 0.13 0.05 -0.56 -0.55 8.29 7.36 1dc1A1 TYR 178 HA -0.04 -0.02 0.37 -0.75 4.56 4.11 1dc1A1 TYR 178 HB2 -0.02 -0.00 0.05 -0.04 3.06 3.05 1dc1A1 TYR 178 HB3 -0.03 0.05 0.02 -0.04 2.98 2.98 1dc1A1 TYR 178 HD2 -0.03 0.01 -0.13 -0.04 7.15 6.96 1dc1A1 TYR 178 HE2 -0.02 0.01 -0.04 -0.04 6.85 6.76 1dc1A1 GLU 179 H -0.43 0.10 0.21 -0.55 8.60 7.93 1dc1A1 GLU 179 HA -0.26 -0.04 0.35 -0.75 4.29 3.58 1dc1A1 GLU 179 HB2 -0.02 0.11 -0.41 -0.04 2.09 1.73 1dc1A1 GLU 179 HB3 -0.11 0.00 0.18 -0.04 1.99 2.02 1dc1A1 GLU 179 HG2 -0.25 -0.01 0.06 -0.04 2.34 2.10 1dc1A1 GLU 179 HG3 -0.66 -0.04 0.02 -0.04 2.34 1.63 1dc1A1 LEU 180 H -0.16 0.68 -0.24 -0.55 8.37 8.10 1dc1A1 LEU 180 HA -0.29 0.09 0.33 -0.75 4.35 3.73 1dc1A1 LEU 180 HB2 -0.30 0.04 0.06 -0.04 1.64 1.39 1dc1A1 LEU 180 HB3 -0.22 -0.01 0.07 -0.04 1.64 1.43 1dc1A1 LEU 180 HG -1.39 -0.04 -0.01 -0.04 1.64 0.16 1dc1A1 LEU 180 HD13 -0.93 0.01 -0.01 -0.04 0.93 -0.05 1dc1A1 LEU 180 HD23 -0.23 -0.01 -0.21 -0.04 0.89 0.40 1dc1A1 GLU 181 H -0.16 0.06 -0.25 -0.55 8.60 7.71 1dc1A1 GLU 181 HA -0.07 0.09 0.29 -0.75 4.29 3.85 1dc1A1 GLU 181 HB2 -0.10 0.10 0.13 -0.04 2.09 2.18 1dc1A1 GLU 181 HB3 -0.11 -0.03 -0.02 -0.04 1.99 1.79 1dc1A1 GLU 181 HG2 -0.16 0.05 -0.22 -0.04 2.34 1.96 1dc1A1 GLU 181 HG3 -0.13 0.12 -0.08 -0.04 2.34 2.21 1dc1A1 THR 182 H -0.20 0.34 -0.53 -0.55 8.28 7.35 1dc1A1 THR 182 HA -0.27 0.03 0.40 -0.75 4.39 3.80 1dc1A1 THR 182 HB -0.49 0.12 0.03 -0.04 4.32 3.95 1dc1A1 THR 182 HG23 -0.79 -0.02 -0.00 -0.04 1.22 0.37 1dc1A1 PHE 183 H 0.01 0.47 -0.27 -0.55 8.34 7.99 1dc1A1 PHE 183 HA 0.09 0.24 0.90 -0.75 4.62 5.10 1dc1A1 PHE 183 HB2 0.23 0.08 0.05 -0.04 3.15 3.47 1dc1A1 PHE 183 HB3 0.25 -0.22 0.26 -0.04 3.06 3.31 1dc1A1 PHE 183 HD2 0.09 0.02 0.00 -0.04 7.28 7.34 1dc1A1 PHE 183 HE2 0.04 -0.00 -0.03 -0.04 7.38 7.34 1dc1A1 PHE 183 HZ 0.03 -0.02 -0.03 -0.04 7.32 7.26 1dc1A1 ALA 184 H 0.14 0.28 -0.10 -0.55 8.40 8.17 1dc1A1 ALA 184 HA 0.47 0.27 0.99 -0.75 4.34 5.31 1dc1A1 ALA 184 HB3 0.23 0.03 0.02 -0.04 1.41 1.64 1dc1A1 LYS 185 H 0.12 0.70 0.35 -0.55 8.42 9.03 1dc1A1 LYS 185 HA 0.13 0.11 0.68 -0.75 4.32 4.48 1dc1A1 LYS 185 HB2 -0.06 -0.03 0.01 -0.04 1.87 1.74 1dc1A1 LYS 185 HB3 -0.14 0.02 -0.11 -0.04 1.79 1.52 1dc1A1 LYS 185 HG2 -0.83 -0.00 -0.10 -0.04 1.46 0.48 1dc1A1 LYS 185 HG3 -0.20 -0.03 -0.15 -0.04 1.46 1.04 1dc1A1 LYS 185 HD2 -0.11 -0.03 0.11 -0.04 1.69 1.62 1dc1A1 LYS 185 HD3 -0.62 -0.02 0.01 -0.04 1.68 1.01 1dc1A1 LYS 185 HE2 -0.63 -0.04 -0.01 -0.04 2.99 2.27 1dc1A1 LYS 185 HE3 -0.13 0.02 0.06 -0.04 2.99 2.90 1dc1A1 GLY 186 H 0.08 0.16 0.21 -0.55 8.43 8.33 1dc1A1 GLY 186 HA2 0.20 0.21 0.64 -0.51 4.01 4.55 1dc1A1 GLY 186 HA3 0.26 0.05 0.38 -0.51 4.01 4.19 1dc1A1 ILE 187 H 0.44 0.64 0.38 -0.55 8.25 9.16 1dc1A1 ILE 187 HA 0.63 0.23 0.98 -0.75 4.18 5.27 1dc1A1 ILE 187 HB 0.42 -0.04 0.03 -0.04 1.89 2.25 1dc1A1 ILE 187 HG12 0.25 -0.07 -0.40 -0.04 1.49 1.23 1dc1A1 ILE 187 HG13 0.06 -0.04 -0.11 -0.04 1.21 1.08 1dc1A1 ILE 187 HG23 0.21 0.01 -0.15 -0.04 0.93 0.96 1dc1A1 ILE 187 HD13 0.16 0.04 -0.00 -0.04 0.88 1.04 1dc1A1 SER 188 H 0.56 0.61 0.40 -0.55 8.46 9.48 1dc1A1 SER 188 HA -0.23 0.31 1.28 -0.75 4.49 5.09 1dc1A1 SER 188 HB2 -0.87 -0.07 -0.09 -0.04 3.95 2.87 1dc1A1 SER 188 HB3 -0.17 -0.13 0.09 -0.04 3.93 3.68 1dc1A1 TRP 189 H -0.63 0.71 0.44 -0.55 7.97 7.95 1dc1A1 TRP 189 HA 0.07 0.12 0.81 -0.75 4.62 4.86 1dc1A1 TRP 189 HB2 0.05 0.09 0.12 -0.04 3.23 3.45 1dc1A1 TRP 189 HB3 0.10 -0.01 -0.16 -0.04 3.23 3.13 1dc1A1 TRP 189 HD1 -0.03 -0.01 -0.37 -0.04 7.22 6.77 1dc1A1 TRP 189 HE1 -0.07 0.30 -0.00 -0.04 10.20 10.38 1dc1A1 TRP 189 HE3 0.03 -0.10 -0.44 -0.04 7.59 7.04 1dc1A1 TRP 189 HZ2 -0.10 0.13 -0.18 -0.04 7.44 7.25 1dc1A1 TRP 189 HZ3 -0.01 -0.04 -0.15 -0.04 7.13 6.89 1dc1A1 TRP 189 HH2 -0.07 -0.05 -0.17 -0.04 7.19 6.86 1dc1A1 THR 190 H 0.27 0.32 0.18 -0.55 8.28 8.50 1dc1A1 THR 190 HA -0.11 0.42 0.94 -0.75 4.39 4.89 1dc1A1 THR 190 HB 0.03 -0.03 0.05 -0.04 4.32 4.32 1dc1A1 THR 190 HG23 -0.28 -0.02 -0.39 -0.04 1.22 0.50 1dc1A1 ILE 191 H -0.00 0.73 0.17 -0.55 8.25 8.60 1dc1A1 ILE 191 HA 0.06 0.05 0.79 -0.75 4.18 4.32 1dc1A1 ILE 191 HB 0.35 0.01 -0.14 -0.04 1.89 2.06 1dc1A1 ILE 191 HG12 0.07 0.05 0.10 -0.04 1.49 1.66 1dc1A1 ILE 191 HG13 0.03 0.04 -0.07 -0.04 1.21 1.17 1dc1A1 ILE 191 HG23 0.08 0.03 -0.04 -0.04 0.93 0.96 1dc1A1 ILE 191 HD13 0.02 -0.03 0.01 -0.04 0.88 0.84 1dc1A1 ASN 192 H 0.01 0.18 0.12 -0.55 8.53 8.29 1dc1A1 ASN 192 HA -0.01 0.02 0.32 -0.75 4.76 4.33 1dc1A1 ASN 192 HB2 -0.01 0.15 -0.04 -0.04 2.88 2.94 1dc1A1 ASN 192 HB3 -0.01 -0.00 0.17 -0.04 2.79 2.91 1dc1A1 ASN 192 HD21 0.01 0.03 0.04 -0.04 7.03 7.07 1dc1A1 ASN 192 HD22 0.00 -0.02 0.08 -0.04 7.74 7.76 1dc1A1 GLY 193 H -0.06 0.07 -0.32 -0.55 8.43 7.56 1dc1A1 GLY 193 HA2 -0.10 -0.04 0.26 -0.51 4.01 3.62 1dc1A1 GLY 193 HA3 -0.06 0.14 0.57 -0.51 4.01 4.15 1dc1A1 LYS 194 H -0.11 0.45 -0.54 -0.55 8.42 7.66 1dc1A1 LYS 194 HA -0.17 0.05 0.57 -0.75 4.32 4.01 1dc1A1 LYS 194 HB2 -0.10 -0.02 -0.13 -0.04 1.87 1.58 1dc1A1 LYS 194 HB3 -0.07 -0.01 0.03 -0.04 1.79 1.70 1dc1A1 LYS 194 HG2 -0.05 -0.02 0.01 -0.04 1.46 1.36 1dc1A1 LYS 194 HG3 -0.04 0.59 0.18 -0.04 1.46 2.14 1dc1A1 LYS 194 HD2 -0.03 -0.05 -0.08 -0.04 1.69 1.48 1dc1A1 LYS 194 HD3 -0.03 -0.03 -0.02 -0.04 1.68 1.57 1dc1A1 LYS 194 HE2 -0.02 0.07 -0.02 -0.04 2.99 2.99 1dc1A1 LYS 194 HE3 -0.01 -0.06 0.00 -0.04 2.99 2.88 1dc1A1 HIS 195 H -0.09 0.14 0.17 -0.55 8.41 8.08 1dc1A1 HIS 195 HA -0.19 0.22 0.89 -0.75 4.63 4.80 1dc1A1 HIS 195 HB2 -0.17 -0.11 -0.01 -0.04 3.26 2.93 1dc1A1 HIS 195 HB3 -0.19 0.01 -0.01 -0.04 3.20 2.96 1dc1A1 HIS 195 HD2 -0.07 -0.02 0.11 -0.04 6.97 6.94 1dc1A1 HIS 195 HE1 -0.04 -0.05 -0.05 -0.04 7.75 7.56 1dc1A1 ARG 196 H -0.55 0.87 0.39 -0.55 8.46 8.62 1dc1A1 ARG 196 HA -0.41 0.29 1.05 -0.75 4.34 4.52 1dc1A1 ARG 196 HB2 -2.00 -0.05 0.04 -0.04 1.90 -0.15 1dc1A1 ARG 196 HB3 -0.91 -0.02 -0.02 -0.04 1.80 0.80 1dc1A1 ARG 196 HG2 -0.26 -0.04 -0.52 -0.04 1.67 0.81 1dc1A1 ARG 196 HG3 -0.04 0.06 -0.17 -0.04 1.67 1.48 1dc1A1 ARG 196 HD2 -0.19 -0.04 -0.09 -0.04 3.22 2.86 1dc1A1 ARG 196 HD3 -0.22 0.19 0.04 -0.04 3.22 3.19 1dc1A1 THR 197 H -0.32 0.51 0.34 -0.55 8.28 8.26 1dc1A1 THR 197 HA -0.44 0.17 1.14 -0.75 4.39 4.51 1dc1A1 THR 197 HB -0.11 -0.04 0.09 -0.04 4.32 4.22 1dc1A1 THR 197 HG23 -0.26 -0.03 -0.20 -0.04 1.22 0.69 1dc1A1 LEU 198 H -0.02 0.79 0.40 -0.55 8.37 8.99 1dc1A1 LEU 198 HA -0.03 0.33 1.14 -0.75 4.35 5.04 1dc1A1 LEU 198 HB2 0.29 -0.01 0.02 -0.04 1.64 1.91 1dc1A1 LEU 198 HB3 0.28 -0.04 0.20 -0.04 1.64 2.04 1dc1A1 LEU 198 HG -0.31 0.07 -0.20 -0.04 1.64 1.16 1dc1A1 LEU 198 HD13 0.01 -0.00 -0.16 -0.04 0.93 0.74 1dc1A1 LEU 198 HD23 0.02 -0.03 -0.14 -0.04 0.89 0.70 1dc1A1 MET 199 H -0.03 0.73 0.44 -0.55 8.47 9.06 1dc1A1 MET 199 HA 0.07 0.22 1.08 -0.75 4.52 5.13 1dc1A1 MET 199 HB2 0.31 -0.05 -0.00 -0.04 2.15 2.37 1dc1A1 MET 199 HB3 0.16 0.07 -0.03 -0.04 2.03 2.18 1dc1A1 MET 199 HG2 0.35 -0.06 -0.53 -0.04 2.63 2.35 1dc1A1 MET 199 HG3 0.33 0.01 -0.15 -0.04 2.56 2.71 1dc1A1 MET 199 HE3 0.05 0.01 -0.08 -0.04 2.10 2.03 1dc1A1 TYR 200 H 0.11 0.50 0.31 -0.55 8.29 8.66 1dc1A1 TYR 200 HA 0.05 0.30 1.13 -0.75 4.56 5.29 1dc1A1 TYR 200 HB2 0.02 0.03 0.18 -0.04 3.06 3.24 1dc1A1 TYR 200 HB3 0.03 -0.06 0.13 -0.04 2.98 3.03 1dc1A1 TYR 200 HD2 0.04 0.14 -0.05 -0.04 7.15 7.25 1dc1A1 TYR 200 HE2 0.05 -0.06 -0.16 -0.04 6.85 6.64 1dc1A1 ASN 201 H 0.17 0.41 0.34 -0.55 8.53 8.90 1dc1A1 ASN 201 HA 0.10 0.06 0.29 -0.75 4.76 4.46 1dc1A1 ASN 201 HB2 0.09 0.13 -0.01 -0.04 2.88 3.04 1dc1A1 ASN 201 HB3 0.08 -0.07 0.07 -0.04 2.79 2.83 1dc1A1 ASN 201 HD21 0.04 -0.04 -0.02 -0.04 7.03 6.96 1dc1A1 ASN 201 HD22 0.08 0.07 -0.12 -0.04 7.74 7.73 1dc1A1 ILE 202 H 0.11 0.37 0.05 -0.55 8.25 8.24 1dc1A1 ILE 202 HA 0.11 0.19 0.79 -0.75 4.18 4.53 1dc1A1 ILE 202 HB 0.18 -0.03 -0.10 -0.04 1.89 1.89 1dc1A1 ILE 202 HG12 0.25 -0.03 -0.21 -0.04 1.49 1.46 1dc1A1 ILE 202 HG13 0.18 0.02 -0.09 -0.04 1.21 1.28 1dc1A1 ILE 202 HG23 0.30 -0.02 -0.36 -0.04 0.93 0.81 1dc1A1 ILE 202 HD13 0.07 0.04 -0.48 -0.04 0.88 0.47 1dc1A1 THR 203 H 0.12 0.20 0.09 -0.55 8.28 8.14 1dc1A1 THR 203 HA 0.09 0.06 0.46 -0.75 4.39 4.25 1dc1A1 THR 203 HB 0.09 0.02 0.06 -0.04 4.32 4.45 1dc1A1 THR 203 HG23 0.07 -0.01 -0.37 -0.04 1.22 0.87 1dc1A1 VAL 204 H 0.08 0.78 0.23 -0.55 8.24 8.78 1dc1A1 VAL 204 HA 0.17 0.15 0.74 -0.75 4.13 4.44 1dc1A1 VAL 204 HB 0.04 -0.01 0.16 -0.04 2.12 2.27 1dc1A1 VAL 204 HG13 -0.22 -0.03 -0.04 -0.04 0.97 0.64 1dc1A1 VAL 204 HG23 0.09 0.06 -0.09 -0.04 0.95 0.97 1dc1A1 SER 205 H 0.14 0.33 0.11 -0.55 8.46 8.49 1dc1A1 SER 205 HA 0.05 0.06 0.35 -0.75 4.49 4.19 1dc1A1 SER 205 HB2 0.03 0.02 -0.04 -0.04 3.95 3.92 1dc1A1 SER 205 HB3 0.11 0.16 0.12 -0.04 3.93 4.27 1dc1A1 LEU 206 H -0.09 0.08 -0.19 -0.55 8.37 7.62 1dc1A1 LEU 206 HA -0.11 0.15 0.52 -0.75 4.35 4.15 1dc1A1 LEU 206 HB2 -0.62 -0.05 0.04 -0.04 1.64 0.96 1dc1A1 LEU 206 HB3 -0.39 0.07 -0.16 -0.04 1.64 1.11 1dc1A1 LEU 206 HG -0.35 -0.09 -0.00 -0.04 1.64 1.15 1dc1A1 LEU 206 HD13 -0.94 0.05 -0.07 -0.04 0.93 -0.07 1dc1A1 LEU 206 HD23 -0.17 0.02 0.00 -0.04 0.89 0.70 1dc1A1 VAL 207 H 0.04 0.06 -0.10 -0.55 8.24 7.69 1dc1A1 VAL 207 HA 0.02 0.16 0.61 -0.75 4.13 4.16 1dc1A1 VAL 207 HB 0.05 -0.04 -0.18 -0.04 2.12 1.90 1dc1A1 VAL 207 HG13 0.07 0.01 -0.17 -0.04 0.97 0.83 1dc1A1 VAL 207 HG23 0.14 0.02 0.02 -0.04 0.95 1.09 1dc1A1 LYS 208 H 0.02 0.36 -0.21 -0.55 8.42 8.04 1dc1A1 LYS 208 HA 0.03 -0.00 0.15 -0.75 4.32 3.74 1dc1A1 LYS 208 HB2 0.01 0.19 -0.03 -0.04 1.87 2.00 1dc1A1 LYS 208 HB3 0.02 -0.10 0.19 -0.04 1.79 1.86 1dc1A1 LYS 208 HG2 0.02 -0.08 -0.01 -0.04 1.46 1.34 1dc1A1 LYS 208 HG3 0.01 0.27 -0.11 -0.04 1.46 1.58 1dc1A1 LYS 208 HD2 0.00 0.05 -0.15 -0.04 1.69 1.56 1dc1A1 LYS 208 HD3 0.01 -0.09 -0.03 -0.04 1.68 1.53 1dc1A1 LYS 208 HE2 -0.00 -0.09 -0.01 -0.04 2.99 2.85 1dc1A1 LYS 208 HE3 -0.01 0.08 -0.00 -0.04 2.99 3.02 1dc1A1 LYS 209 H 0.04 0.25 -0.06 -0.55 8.42 8.10 1dc1A1 LYS 209 HA 0.04 0.13 0.68 -0.75 4.32 4.41 1dc1A1 LYS 209 HB2 0.03 -0.05 -0.12 -0.04 1.87 1.70 1dc1A1 LYS 209 HB3 0.03 0.01 0.04 -0.04 1.79 1.83 1dc1A1 LYS 209 HG2 0.03 0.26 -0.57 -0.04 1.46 1.13 1dc1A1 LYS 209 HG3 0.02 -0.04 -0.10 -0.04 1.46 1.30 1dc1A1 LYS 209 HD2 0.02 -0.09 0.02 -0.04 1.69 1.60 1dc1A1 LYS 209 HD3 0.03 0.01 0.12 -0.04 1.68 1.79 1dc1A1 LYS 209 HE2 0.01 -0.05 -0.01 -0.04 2.99 2.91 1dc1A1 LYS 209 HE3 0.02 -0.09 0.02 -0.04 2.99 2.90 1dc1A1 ASN 210 H 0.05 0.11 0.10 -0.55 8.53 8.24 1dc1A1 ASN 210 HA 0.07 0.22 0.49 -0.75 4.76 4.79 1dc1A1 ASN 210 HB2 0.05 -0.01 0.03 -0.04 2.88 2.91 1dc1A1 ASN 210 HB3 0.05 -0.05 -0.05 -0.04 2.79 2.71 1dc1A1 ASN 210 HD21 0.08 0.19 -0.31 -0.04 7.03 6.94 1dc1A1 ASN 210 HD22 0.07 -0.06 -0.23 -0.04 7.74 7.48 1dc1A1 VAL 211 H 0.08 0.62 0.25 -0.55 8.24 8.63 1dc1A1 VAL 211 HA 0.05 0.10 0.85 -0.75 4.13 4.37 1dc1A1 VAL 211 HB 0.04 0.04 0.02 -0.04 2.12 2.18 1dc1A1 VAL 211 HG13 0.01 -0.02 0.03 -0.04 0.97 0.95 1dc1A1 VAL 211 HG23 0.01 0.03 -0.22 -0.04 0.95 0.73 1dc1A1 ASP 212 H 0.07 0.17 0.22 -0.55 8.40 8.31 1dc1A1 ASP 212 HA 0.11 -0.00 0.47 -0.75 4.63 4.45 1dc1A1 ASP 212 HB2 0.08 0.21 0.38 -0.04 2.71 3.34 1dc1A1 ASP 212 HB3 0.11 0.01 0.07 -0.04 2.70 2.85 1dc1A1 ILE 213 H 0.06 0.41 0.12 -0.55 8.25 8.29 1dc1A1 ILE 213 HA -0.03 0.30 0.98 -0.75 4.18 4.67 1dc1A1 ILE 213 HB 0.05 -0.11 0.01 -0.04 1.89 1.79 1dc1A1 ILE 213 HG12 0.21 0.08 -0.19 -0.04 1.49 1.56 1dc1A1 ILE 213 HG13 0.17 -0.15 -0.51 -0.04 1.21 0.68 1dc1A1 ILE 213 HG23 -0.03 0.02 -0.29 -0.04 0.93 0.58 1dc1A1 ILE 213 HD13 0.09 -0.02 -0.32 -0.04 0.88 0.58 1dc1A1 CYS 214 H -0.11 0.71 0.32 -0.55 8.50 8.88 1dc1A1 CYS 214 HA -0.14 0.27 1.01 -0.75 4.58 4.97 1dc1A1 CYS 214 HB2 -0.11 -0.02 0.07 -0.04 2.97 2.87 1dc1A1 CYS 214 HB3 -0.46 0.06 0.00 -0.04 2.97 2.52 1dc1A1 LEU 215 H -0.24 0.65 0.30 -0.55 8.37 8.53 1dc1A1 LEU 215 HA -0.19 0.27 0.97 -0.75 4.35 4.65 1dc1A1 LEU 215 HB2 -0.08 -0.06 -0.06 -0.04 1.64 1.40 1dc1A1 LEU 215 HB3 -0.14 -0.12 0.14 -0.04 1.64 1.49 1dc1A1 LEU 215 HG -0.16 0.05 -0.18 -0.04 1.64 1.31 1dc1A1 LEU 215 HD13 -0.09 0.02 -0.17 -0.04 0.93 0.65 1dc1A1 LEU 215 HD23 -0.08 0.00 -0.10 -0.04 0.89 0.67 1dc1A1 PHE 216 H -0.08 0.75 0.38 -0.55 8.34 8.83 1dc1A1 PHE 216 HA -0.22 0.30 1.08 -0.75 4.62 5.03 1dc1A1 PHE 216 HB2 -0.24 -0.04 0.15 -0.04 3.15 2.98 1dc1A1 PHE 216 HB3 -0.23 0.06 -0.10 -0.04 3.06 2.74 1dc1A1 PHE 216 HD2 -0.33 0.11 -0.12 -0.04 7.28 6.91 1dc1A1 PHE 216 HE2 -0.53 -0.01 -0.11 -0.04 7.38 6.69 1dc1A1 PHE 216 HZ -0.04 -0.04 -0.11 -0.04 7.32 7.10 1dc1A1 ASN 217 H -0.00 0.79 0.30 -0.55 8.53 9.07 1dc1A1 ASN 217 HA -0.09 0.14 0.71 -0.75 4.76 4.77 1dc1A1 ASN 217 HB2 -0.04 -0.01 0.10 -0.04 2.88 2.90 1dc1A1 ASN 217 HB3 -0.01 0.05 0.28 -0.04 2.79 3.07 1dc1A1 ASN 217 HD21 -0.00 -0.06 0.03 -0.04 7.03 6.96 1dc1A1 ASN 217 HD22 0.00 0.07 0.06 -0.04 7.74 7.83 1dc1A1 CYS 218 H -0.13 0.38 -0.14 -0.55 8.50 8.06 1dc1A1 CYS 218 HA -0.11 -0.05 0.42 -0.75 4.58 4.08 1dc1A1 CYS 218 HB2 -0.14 -0.02 0.08 -0.04 2.97 2.85 1dc1A1 CYS 218 HB3 -0.08 0.02 -0.59 -0.04 2.97 2.27 1dc1A1 GLU 219 H -0.19 0.07 0.07 -0.55 8.60 8.00 1dc1A1 GLU 219 HA -0.22 0.07 0.30 -0.75 4.29 3.68 1dc1A1 GLU 219 HB2 -0.24 0.07 -0.06 -0.04 2.09 1.82 1dc1A1 GLU 219 HB3 -0.24 -0.01 0.05 -0.04 1.99 1.75 1dc1A1 GLU 219 HG2 -0.24 -0.02 0.05 -0.04 2.34 2.09 1dc1A1 GLU 219 HG3 -0.29 0.01 -0.02 -0.04 2.34 2.00 1dc1A1 PRO 220 HA -0.88 0.11 0.04 -0.51 4.44 3.21 1dc1A1 PRO 220 HB2 -0.60 0.02 -0.02 -0.04 2.28 1.63 1dc1A1 PRO 220 HB3 -2.29 0.01 -0.04 -0.04 2.02 -0.34 1dc1A1 PRO 220 HG2 -0.40 0.01 -0.04 -0.04 2.03 1.56 1dc1A1 PRO 220 HG3 -0.98 0.02 -0.03 -0.04 2.03 1.00 1dc1A1 PRO 220 HD2 -0.29 0.06 0.06 -0.04 3.68 3.47 1dc1A1 PRO 220 HD3 -0.41 0.17 0.09 -0.04 3.65 3.45 1dc1A1 GLN 230 HA 0.17 -0.11 0.09 -0.75 4.36 3.76 1dc1A1 GLN 230 HB2 0.05 0.03 0.06 -0.04 2.15 2.25 1dc1A1 GLN 230 HB3 0.05 -0.00 0.09 -0.04 2.02 2.12 1dc1A1 GLN 230 HG2 0.03 -0.01 0.09 -0.04 2.40 2.47 1dc1A1 GLN 230 HG3 0.06 0.00 0.04 -0.04 2.39 2.45 1dc1A1 GLN 230 HE21 -0.01 0.08 -0.06 -0.04 6.97 6.94 1dc1A1 GLN 230 HE22 -0.03 -0.01 -0.05 -0.04 7.69 7.57 1dc1A1 GLN 231 H 0.08 0.08 0.08 -0.55 8.47 8.16 1dc1A1 GLN 231 HA 0.07 0.00 0.38 -0.75 4.36 4.07 1dc1A1 GLN 231 HB2 0.07 0.22 0.41 -0.04 2.15 2.81 1dc1A1 GLN 231 HB3 0.05 -0.04 0.15 -0.04 2.02 2.14 1dc1A1 GLN 231 HG2 0.04 -0.09 -0.50 -0.04 2.40 1.81 1dc1A1 GLN 231 HG3 -0.00 0.06 -0.14 -0.04 2.39 2.27 1dc1A1 GLN 231 HE21 0.00 -0.02 -0.01 -0.04 6.97 6.90 1dc1A1 GLN 231 HE22 0.00 0.03 -0.04 -0.04 7.69 7.63 1dc1A1 PRO 232 HA 0.48 0.08 0.36 -0.51 4.44 4.85 1dc1A1 PRO 232 HB2 -0.09 0.11 -0.02 -0.04 2.28 2.24 1dc1A1 PRO 232 HB3 -0.48 0.02 0.06 -0.04 2.02 1.58 1dc1A1 PRO 232 HG2 -0.11 0.11 0.06 -0.04 2.03 2.05 1dc1A1 PRO 232 HG3 -0.07 -0.03 0.02 -0.04 2.03 1.90 1dc1A1 PRO 232 HD2 0.04 0.15 0.20 -0.04 3.68 4.03 1dc1A1 PRO 232 HD3 0.07 -0.12 0.19 -0.04 3.65 3.75 1dc1A1 GLU 233 H 0.14 0.04 -0.34 -0.55 8.60 7.90 1dc1A1 GLU 233 HA 0.19 0.18 0.50 -0.75 4.29 4.41 1dc1A1 GLU 233 HB2 0.08 0.06 0.09 -0.04 2.09 2.27 1dc1A1 GLU 233 HB3 0.07 -0.01 0.05 -0.04 1.99 2.06 1dc1A1 GLU 233 HG2 0.06 0.08 -0.28 -0.04 2.34 2.16 1dc1A1 GLU 233 HG3 0.04 0.01 -0.03 -0.04 2.34 2.32 1dc1A1 LYS 234 H 0.21 0.52 -0.39 -0.55 8.42 8.21 1dc1A1 LYS 234 HA 0.05 0.13 0.63 -0.75 4.32 4.38 1dc1A1 LYS 234 HB2 0.05 0.31 0.16 -0.04 1.87 2.35 1dc1A1 LYS 234 HB3 0.05 -0.09 0.11 -0.04 1.79 1.82 1dc1A1 LYS 234 HG2 0.04 -0.08 0.06 -0.04 1.46 1.44 1dc1A1 LYS 234 HG3 -0.02 -0.01 0.03 -0.04 1.46 1.42 1dc1A1 LYS 234 HD2 0.00 0.19 0.10 -0.04 1.69 1.94 1dc1A1 LYS 234 HD3 0.04 -0.02 -0.35 -0.04 1.68 1.32 1dc1A1 LYS 234 HE2 0.00 0.01 -0.03 -0.04 2.99 2.93 1dc1A1 LYS 234 HE3 0.02 -0.09 -0.07 -0.04 2.99 2.81 1dc1A1 TYR 235 H 0.37 0.28 -0.46 -0.55 8.29 7.93 1dc1A1 TYR 235 HA -0.17 0.14 0.76 -0.75 4.56 4.53 1dc1A1 TYR 235 HB2 0.10 0.18 0.19 -0.04 3.06 3.49 1dc1A1 TYR 235 HB3 -0.20 -0.05 -0.07 -0.04 2.98 2.62 1dc1A1 TYR 235 HD2 -0.03 0.03 0.04 -0.04 7.15 7.14 1dc1A1 TYR 235 HE2 0.12 -0.01 -0.21 -0.04 6.85 6.71 1dc1A1 LEU 236 H -0.12 0.56 0.39 -0.55 8.37 8.65 1dc1A1 LEU 236 HA -0.01 0.12 0.55 -0.75 4.35 4.25 1dc1A1 LEU 236 HB2 -0.11 -0.00 0.00 -0.04 1.64 1.48 1dc1A1 LEU 236 HB3 -0.08 -0.03 -0.01 -0.04 1.64 1.48 1dc1A1 LEU 236 HG -0.05 0.01 -0.09 -0.04 1.64 1.47 1dc1A1 LEU 236 HD13 -0.11 -0.02 -0.28 -0.04 0.93 0.48 1dc1A1 LEU 236 HD23 -0.04 0.01 -0.01 -0.04 0.89 0.80 1dc1A1 LEU 237 H -0.11 0.35 0.22 -0.55 8.37 8.29 1dc1A1 LEU 237 HA -0.03 0.34 0.78 -0.75 4.35 4.69 1dc1A1 LEU 237 HB2 -0.05 0.09 -0.23 -0.04 1.64 1.41 1dc1A1 LEU 237 HB3 -0.07 -0.09 -0.07 -0.04 1.64 1.36 1dc1A1 LEU 237 HG 0.10 0.06 -0.31 -0.04 1.64 1.45 1dc1A1 LEU 237 HD13 0.10 -0.01 -0.22 -0.04 0.93 0.76 1dc1A1 LEU 237 HD23 0.02 -0.02 -0.55 -0.04 0.89 0.31 1dc1A1 LEU 238 H -0.04 0.72 0.27 -0.55 8.37 8.78 1dc1A1 LEU 238 HA -0.06 0.28 0.87 -0.75 4.35 4.70 1dc1A1 LEU 238 HB2 -0.16 0.04 0.09 -0.04 1.64 1.58 1dc1A1 LEU 238 HB3 -0.11 -0.07 0.07 -0.04 1.64 1.50 1dc1A1 LEU 238 HG -0.24 -0.02 -0.42 -0.04 1.64 0.92 1dc1A1 LEU 238 HD13 -0.79 0.00 -0.07 -0.04 0.93 0.04 1dc1A1 LEU 238 HD23 -0.13 0.00 0.06 -0.04 0.89 0.79 1dc1A1 GLY 239 H 0.02 0.54 0.33 -0.55 8.43 8.77 1dc1A1 GLY 239 HA2 0.09 0.23 1.02 -0.51 4.01 4.84 1dc1A1 GLY 239 HA3 0.08 -0.02 0.25 -0.51 4.01 3.81 1dc1A1 GLU 240 H 0.14 0.64 0.40 -0.55 8.60 9.24 1dc1A1 GLU 240 HA 0.09 0.03 0.90 -0.75 4.29 4.55 1dc1A1 GLU 240 HB2 0.26 0.10 0.20 -0.04 2.09 2.62 1dc1A1 GLU 240 HB3 0.33 -0.05 0.07 -0.04 1.99 2.31 1dc1A1 GLU 240 HG2 0.14 0.01 0.10 -0.04 2.34 2.55 1dc1A1 GLU 240 HG3 0.14 -0.02 0.10 -0.04 2.34 2.52 1dc1A1 LEU 241 H 0.03 0.22 0.18 -0.55 8.37 8.25 1dc1A1 LEU 241 HA -0.16 0.23 0.93 -0.75 4.35 4.59 1dc1A1 LEU 241 HB2 0.02 0.06 -0.11 -0.04 1.64 1.56 1dc1A1 LEU 241 HB3 0.03 -0.01 0.07 -0.04 1.64 1.69 1dc1A1 LEU 241 HG -0.03 -0.10 -0.36 -0.04 1.64 1.10 1dc1A1 LEU 241 HD13 -0.06 0.02 -0.21 -0.04 0.93 0.64 1dc1A1 LEU 241 HD23 -0.01 0.02 -0.26 -0.04 0.89 0.60 1dc1A1 LYS 242 H -0.22 0.79 0.31 -0.55 8.42 8.75 1dc1A1 LYS 242 HA 0.00 0.16 1.00 -0.75 4.32 4.73 1dc1A1 LYS 242 HB2 0.09 -0.06 0.27 -0.04 1.87 2.13 1dc1A1 LYS 242 HB3 0.14 -0.07 0.12 -0.04 1.79 1.93 1dc1A1 LYS 242 HG2 0.11 -0.03 -0.28 -0.04 1.46 1.22 1dc1A1 LYS 242 HG3 0.51 0.02 -0.08 -0.04 1.46 1.87 1dc1A1 LYS 242 HD2 0.27 0.01 0.00 -0.04 1.69 1.92 1dc1A1 LYS 242 HD3 0.08 -0.04 0.08 -0.04 1.68 1.77 1dc1A1 LYS 242 HE2 0.22 -0.05 -0.10 -0.04 2.99 3.02 1dc1A1 LYS 242 HE3 0.13 0.03 0.02 -0.04 2.99 3.12 1dc1A1 GLY 243 H -0.02 0.25 0.09 -0.55 8.43 8.21 1dc1A1 GLY 243 HA2 -0.03 0.10 0.62 -0.51 4.01 4.19 1dc1A1 GLY 243 HA3 -0.03 0.13 0.30 -0.51 4.01 3.90 1dc1A1 GLY 244 H 0.03 0.00 -0.23 -0.55 8.43 7.69 1dc1A1 GLY 244 HA2 -0.00 0.09 0.40 -0.51 4.01 3.99 1dc1A1 GLY 244 HA3 0.05 0.02 0.27 -0.51 4.01 3.84 1dc1A1 ILE 245 H -0.12 0.14 0.15 -0.55 8.25 7.87 1dc1A1 ILE 245 HA 0.04 0.21 0.69 -0.75 4.18 4.36 1dc1A1 ILE 245 HB -0.13 0.10 0.02 -0.04 1.89 1.84 1dc1A1 ILE 245 HG12 -0.08 -0.12 0.14 -0.04 1.49 1.39 1dc1A1 ILE 245 HG13 0.07 -0.04 0.18 -0.04 1.21 1.37 1dc1A1 ILE 245 HG23 -0.76 -0.01 -0.23 -0.04 0.93 -0.11 1dc1A1 ILE 245 HD13 -0.03 0.02 -0.05 -0.04 0.88 0.79 1dc1A1 ASP 246 H -0.06 0.02 -0.08 -0.55 8.40 7.73 1dc1A1 ASP 246 HA 0.13 0.24 0.60 -0.75 4.63 4.85 1dc1A1 ASP 246 HB2 -0.06 0.10 0.08 -0.04 2.71 2.79 1dc1A1 ASP 246 HB3 0.04 -0.03 0.12 -0.04 2.70 2.79 1dc1A1 PRO 247 HA 0.05 0.05 0.43 -0.51 4.44 4.47 1dc1A1 PRO 247 HB2 -0.17 0.03 -0.02 -0.04 2.28 2.08 1dc1A1 PRO 247 HB3 -0.54 0.06 0.07 -0.04 2.02 1.57 1dc1A1 PRO 247 HG2 -0.22 0.02 0.10 -0.04 2.03 1.89 1dc1A1 PRO 247 HG3 -0.73 0.08 0.09 -0.04 2.03 1.43 1dc1A1 PRO 247 HD2 0.13 0.07 0.28 -0.04 3.68 4.12 1dc1A1 PRO 247 HD3 -0.49 0.36 0.28 -0.04 3.65 3.75 1dc1A1 ALA 248 H -0.01 0.17 -0.23 -0.55 8.40 7.78 1dc1A1 ALA 248 HA -0.01 0.09 0.42 -0.75 4.34 4.08 1dc1A1 ALA 248 HB3 -0.01 0.03 0.04 -0.04 1.41 1.44 1dc1A1 GLY 249 H 0.03 0.34 -0.53 -0.55 8.43 7.73 1dc1A1 GLY 249 HA2 -0.16 0.17 0.75 -0.51 4.01 4.26 1dc1A1 GLY 249 HA3 0.01 0.04 0.25 -0.51 4.01 3.80 1dc1A1 ALA 250 H 0.05 0.35 -0.23 -0.55 8.40 8.02 1dc1A1 ALA 250 HA 0.17 0.12 0.36 -0.75 4.34 4.24 1dc1A1 ALA 250 HB3 0.11 -0.02 0.01 -0.04 1.41 1.47 1dc1A1 ASP 251 H 0.05 0.20 -0.06 -0.55 8.40 8.04 1dc1A1 ASP 251 HA 0.20 0.05 0.43 -0.75 4.63 4.56 1dc1A1 ASP 251 HB2 0.06 -0.06 0.09 -0.04 2.71 2.76 1dc1A1 ASP 251 HB3 0.04 0.09 -0.00 -0.04 2.70 2.79 1dc1A1 GLU 252 H -0.06 0.09 -0.39 -0.55 8.60 7.70 1dc1A1 GLU 252 HA -0.05 0.08 0.41 -0.75 4.29 3.97 1dc1A1 GLU 252 HB2 -0.14 0.05 0.12 -0.04 2.09 2.08 1dc1A1 GLU 252 HB3 -0.51 0.06 0.16 -0.04 1.99 1.66 1dc1A1 GLU 252 HG2 -0.20 0.01 0.01 -0.04 2.34 2.11 1dc1A1 GLU 252 HG3 -0.17 0.00 -0.19 -0.04 2.34 1.94 1dc1A1 HIS 253 H -0.25 0.65 -0.02 -0.55 8.41 8.25 1dc1A1 HIS 253 HA 0.08 0.05 0.50 -0.75 4.63 4.51 1dc1A1 HIS 253 HB2 0.17 0.08 0.12 -0.04 3.26 3.59 1dc1A1 HIS 253 HB3 0.14 -0.03 0.12 -0.04 3.20 3.39 1dc1A1 HIS 253 HD2 0.08 -0.08 -0.01 -0.04 6.97 6.90 1dc1A1 HIS 253 HE1 0.04 0.04 -0.01 -0.04 7.75 7.78 1dc1A1 TRP 254 H 0.28 0.36 -0.31 -0.55 7.97 7.75 1dc1A1 TRP 254 HA -0.07 0.05 0.53 -0.75 4.62 4.36 1dc1A1 TRP 254 HB2 -0.13 -0.01 0.07 -0.04 3.23 3.13 1dc1A1 TRP 254 HB3 -0.06 0.04 0.19 -0.04 3.23 3.36 1dc1A1 TRP 254 HD1 -0.08 -0.03 -0.05 -0.04 7.22 7.01 1dc1A1 TRP 254 HE1 -0.10 0.01 -0.06 -0.04 10.20 10.00 1dc1A1 TRP 254 HE3 -1.61 -0.01 -0.01 -0.04 7.59 5.92 1dc1A1 TRP 254 HZ2 -0.14 0.04 -0.17 -0.04 7.44 7.13 1dc1A1 TRP 254 HZ3 -0.76 0.03 -0.08 -0.04 7.13 6.28 1dc1A1 TRP 254 HH2 -0.19 0.08 -0.10 -0.04 7.19 6.94 1dc1A1 LYS 255 H -0.00 0.62 -0.06 -0.55 8.42 8.42 1dc1A1 LYS 255 HA -0.46 0.01 0.39 -0.75 4.32 3.50 1dc1A1 LYS 255 HB2 -0.06 0.17 0.22 -0.04 1.87 2.17 1dc1A1 LYS 255 HB3 -0.10 -0.01 -0.00 -0.04 1.79 1.63 1dc1A1 LYS 255 HG2 -0.07 -0.03 0.04 -0.04 1.46 1.36 1dc1A1 LYS 255 HG3 0.02 0.05 0.06 -0.04 1.46 1.54 1dc1A1 LYS 255 HD2 -0.03 0.02 -0.00 -0.04 1.69 1.64 1dc1A1 LYS 255 HD3 -0.00 -0.03 -0.02 -0.04 1.68 1.58 1dc1A1 LYS 255 HE2 -0.01 0.06 -0.02 -0.04 2.99 2.98 1dc1A1 LYS 255 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.92 1dc1A1 THR 256 H -0.04 0.37 -0.22 -0.55 8.28 7.83 1dc1A1 THR 256 HA -0.06 0.05 0.43 -0.75 4.39 4.06 1dc1A1 THR 256 HB 0.09 0.09 0.18 -0.04 4.32 4.64 1dc1A1 THR 256 HG23 0.04 -0.01 -0.02 -0.04 1.22 1.19 1dc1A1 ALA 257 H -0.03 0.53 -0.08 -0.55 8.40 8.27 1dc1A1 ALA 257 HA 0.02 -0.01 0.38 -0.75 4.34 3.98 1dc1A1 ALA 257 HB3 0.15 0.02 0.13 -0.04 1.41 1.68 1dc1A1 ASN 258 H -0.67 0.62 -0.25 -0.55 8.53 7.68 1dc1A1 ASN 258 HA -0.52 0.02 0.44 -0.75 4.76 3.95 1dc1A1 ASN 258 HB2 -1.69 0.00 0.08 -0.04 2.88 1.22 1dc1A1 ASN 258 HB3 -0.65 0.13 0.11 -0.04 2.79 2.34 1dc1A1 ASN 258 HD21 -0.16 -0.00 -0.09 -0.04 7.03 6.73 1dc1A1 ASN 258 HD22 -0.26 0.04 -0.14 -0.04 7.74 7.34 1dc1A1 THR 259 H -0.22 0.44 -0.15 -0.55 8.28 7.80 1dc1A1 THR 259 HA -0.11 0.04 0.56 -0.75 4.39 4.12 1dc1A1 THR 259 HB -0.08 0.15 0.19 -0.04 4.32 4.54 1dc1A1 THR 259 HG23 -0.04 -0.01 -0.06 -0.04 1.22 1.06 1dc1A1 ALA 260 H -0.08 0.44 -0.05 -0.55 8.40 8.17 1dc1A1 ALA 260 HA -0.01 0.03 0.43 -0.75 4.34 4.04 1dc1A1 ALA 260 HB3 0.01 0.03 0.12 -0.04 1.41 1.53 1dc1A1 LEU 261 H -0.07 0.68 -0.09 -0.55 8.37 8.35 1dc1A1 LEU 261 HA -0.01 0.02 0.40 -0.75 4.35 4.00 1dc1A1 LEU 261 HB2 -0.07 0.07 0.13 -0.04 1.64 1.72 1dc1A1 LEU 261 HB3 0.00 0.02 0.01 -0.04 1.64 1.63 1dc1A1 LEU 261 HG 0.06 0.03 0.04 -0.04 1.64 1.73 1dc1A1 LEU 261 HD13 0.15 -0.02 -0.10 -0.04 0.93 0.92 1dc1A1 LEU 261 HD23 0.07 -0.00 0.01 -0.04 0.89 0.92 1dc1A1 THR 262 H -0.07 0.45 -0.22 -0.55 8.28 7.89 1dc1A1 THR 262 HA -0.02 0.04 0.52 -0.75 4.39 4.18 1dc1A1 THR 262 HB -0.05 0.09 0.22 -0.04 4.32 4.53 1dc1A1 THR 262 HG23 -0.02 -0.02 -0.06 -0.04 1.22 1.07 1dc1A1 ARG 263 H -0.02 0.70 -0.01 -0.55 8.46 8.58 1dc1A1 ARG 263 HA 0.01 -0.01 0.47 -0.75 4.34 4.05 1dc1A1 ARG 263 HB2 0.01 0.13 0.17 -0.04 1.90 2.16 1dc1A1 ARG 263 HB3 0.02 -0.01 0.05 -0.04 1.80 1.81 1dc1A1 ARG 263 HG2 -0.00 -0.05 0.05 -0.04 1.67 1.63 1dc1A1 ARG 263 HG3 -0.02 0.18 0.09 -0.04 1.67 1.88 1dc1A1 ARG 263 HD2 -0.00 -0.05 -0.06 -0.04 3.22 3.06 1dc1A1 ARG 263 HD3 0.01 0.04 -0.00 -0.04 3.22 3.23 1dc1A1 ILE 264 H 0.01 0.42 -0.31 -0.55 8.25 7.82 1dc1A1 ILE 264 HA 0.13 -0.05 0.36 -0.75 4.18 3.86 1dc1A1 ILE 264 HB -0.03 0.14 0.19 -0.04 1.89 2.14 1dc1A1 ILE 264 HG12 -0.04 -0.08 -0.01 -0.04 1.49 1.33 1dc1A1 ILE 264 HG13 0.00 0.10 0.04 -0.04 1.21 1.32 1dc1A1 ILE 264 HG23 -0.24 -0.00 -0.19 -0.04 0.93 0.45 1dc1A1 ILE 264 HD13 -0.04 -0.03 -0.10 -0.04 0.88 0.67 1dc1A1 ARG 265 H 0.01 0.62 0.02 -0.55 8.46 8.56 1dc1A1 ARG 265 HA 0.04 0.07 0.40 -0.75 4.34 4.10 1dc1A1 ARG 265 HB2 0.01 0.00 0.22 -0.04 1.90 2.09 1dc1A1 ARG 265 HB3 0.02 -0.04 -0.02 -0.04 1.80 1.72 1dc1A1 ARG 265 HG2 0.01 0.05 0.08 -0.04 1.67 1.77 1dc1A1 ARG 265 HG3 -0.00 0.07 0.12 -0.04 1.67 1.82 1dc1A1 ARG 265 HD2 0.00 -0.10 -0.01 -0.04 3.22 3.07 1dc1A1 ARG 265 HD3 0.01 -0.01 0.04 -0.04 3.22 3.22 1dc1A1 ASN 266 H 0.04 0.65 -0.18 -0.55 8.53 8.49 1dc1A1 ASN 266 HA 0.03 -0.00 0.46 -0.75 4.76 4.49 1dc1A1 ASN 266 HB2 0.02 0.15 0.22 -0.04 2.88 3.23 1dc1A1 ASN 266 HB3 0.01 -0.06 -0.01 -0.04 2.79 2.69 1dc1A1 ASN 266 HD21 -0.00 -0.08 -0.03 -0.04 7.03 6.88 1dc1A1 ASN 266 HD22 -0.00 -0.02 -0.03 -0.04 7.74 7.65 1dc1A1 LYS 267 H 0.07 0.66 0.03 -0.55 8.42 8.62 1dc1A1 LYS 267 HA -0.01 0.00 0.44 -0.75 4.32 4.00 1dc1A1 LYS 267 HB2 0.08 -0.03 -0.04 -0.04 1.87 1.83 1dc1A1 LYS 267 HB3 -0.08 0.01 -0.11 -0.04 1.79 1.57 1dc1A1 LYS 267 HG2 0.03 -0.03 0.15 -0.04 1.46 1.57 1dc1A1 LYS 267 HG3 0.04 -0.07 0.00 -0.04 1.46 1.40 1dc1A1 LYS 267 HD2 -0.00 0.01 0.09 -0.04 1.69 1.75 1dc1A1 LYS 267 HD3 -0.03 0.16 0.02 -0.04 1.68 1.79 1dc1A1 LYS 267 HE2 -0.01 -0.04 -0.03 -0.04 2.99 2.87 1dc1A1 LYS 267 HE3 -0.00 -0.05 0.02 -0.04 2.99 2.91 1dc1A1 PHE 268 H 0.34 0.65 -0.11 -0.55 8.34 8.67 1dc1A1 PHE 268 HA -0.02 -0.03 0.54 -0.75 4.62 4.35 1dc1A1 PHE 268 HB2 -0.02 0.19 0.14 -0.04 3.15 3.42 1dc1A1 PHE 268 HB3 -0.01 0.05 -0.08 -0.04 3.06 2.98 1dc1A1 PHE 268 HD2 -0.04 0.12 0.02 -0.04 7.28 7.34 1dc1A1 PHE 268 HE2 -0.15 0.07 0.05 -0.04 7.38 7.32 1dc1A1 PHE 268 HZ -0.71 -0.10 -0.00 -0.04 7.32 6.48 1dc1A1 SER 269 H 0.12 0.63 -0.02 -0.55 8.46 8.64 1dc1A1 SER 269 HA 0.07 0.11 0.39 -0.75 4.49 4.31 1dc1A1 SER 269 HB2 0.03 -0.12 0.07 -0.04 3.95 3.90 1dc1A1 SER 269 HB3 0.05 0.00 0.19 -0.04 3.93 4.14 1dc1A1 GLU 270 H 0.02 0.46 -0.32 -0.55 8.60 8.21 1dc1A1 GLU 270 HA -0.00 -0.04 0.37 -0.75 4.29 3.87 1dc1A1 GLU 270 HB2 -0.04 0.32 0.11 -0.04 2.09 2.43 1dc1A1 GLU 270 HB3 -0.03 -0.10 -0.03 -0.04 1.99 1.79 1dc1A1 GLU 270 HG2 -0.01 -0.11 0.06 -0.04 2.34 2.24 1dc1A1 GLU 270 HG3 -0.00 0.27 0.11 -0.04 2.34 2.68 1dc1A1 LYS 271 H -0.03 0.46 -0.41 -0.55 8.42 7.88 1dc1A1 LYS 271 HA -0.03 0.08 0.78 -0.75 4.32 4.39 1dc1A1 LYS 271 HB2 -0.13 0.19 0.19 -0.04 1.87 2.07 1dc1A1 LYS 271 HB3 -0.06 -0.09 0.14 -0.04 1.79 1.73 1dc1A1 LYS 271 HG2 -0.18 -0.08 0.04 -0.04 1.46 1.20 1dc1A1 LYS 271 HG3 -0.08 -0.07 0.07 -0.04 1.46 1.35 1dc1A1 LYS 271 HD2 -0.06 -0.02 -0.48 -0.04 1.69 1.08 1dc1A1 LYS 271 HD3 -0.12 0.08 -0.02 -0.04 1.68 1.58 1dc1A1 LYS 271 HE2 -0.05 -0.05 0.01 -0.04 2.99 2.86 1dc1A1 LYS 271 HE3 -0.04 0.02 -0.05 -0.04 2.99 2.87 1dc1A1 GLY 272 H 0.01 0.78 -0.35 -0.55 8.43 8.33 1dc1A1 GLY 272 HA2 0.03 0.01 0.32 -0.51 4.01 3.86 1dc1A1 GLY 272 HA3 0.02 -0.01 0.51 -0.51 4.01 4.02 1dc1A1 LEU 273 H 0.07 0.46 -0.20 -0.55 8.37 8.15 1dc1A1 LEU 273 HA 0.09 0.13 0.78 -0.75 4.35 4.60 1dc1A1 LEU 273 HB2 0.29 -0.05 -0.04 -0.04 1.64 1.80 1dc1A1 LEU 273 HB3 0.26 0.03 -0.04 -0.04 1.64 1.86 1dc1A1 LEU 273 HG 0.03 0.09 -0.24 -0.04 1.64 1.48 1dc1A1 LEU 273 HD13 0.01 0.00 -0.21 -0.04 0.93 0.69 1dc1A1 LEU 273 HD23 0.08 0.01 -0.13 -0.04 0.89 0.81 1dc1A1 SER 274 H 0.09 0.15 -0.00 -0.55 8.46 8.15 1dc1A1 SER 274 HA 0.07 0.19 0.81 -0.75 4.49 4.80 1dc1A1 SER 274 HB2 0.05 -0.04 -0.06 -0.04 3.95 3.87 1dc1A1 SER 274 HB3 0.05 -0.00 0.18 -0.04 3.93 4.11 1dc1A1 PRO 275 HA -0.00 0.14 0.45 -0.51 4.44 4.52 1dc1A1 PRO 275 HB2 -0.21 -0.01 -0.22 -0.04 2.28 1.80 1dc1A1 PRO 275 HB3 -0.14 0.27 -0.08 -0.04 2.02 2.03 1dc1A1 PRO 275 HG2 -0.38 -0.03 -0.09 -0.04 2.03 1.49 1dc1A1 PRO 275 HG3 -1.05 -0.03 -0.05 -0.04 2.03 0.85 1dc1A1 PRO 275 HD2 0.06 0.15 -0.21 -0.04 3.68 3.64 1dc1A1 PRO 275 HD3 0.15 0.06 -0.12 -0.04 3.65 3.70 1dc1A1 LYS 276 H 0.01 0.67 0.42 -0.55 8.42 8.97 1dc1A1 LYS 276 HA 0.09 0.11 0.59 -0.75 4.32 4.36 1dc1A1 LYS 276 HB2 0.12 -0.04 0.18 -0.04 1.87 2.09 1dc1A1 LYS 276 HB3 0.31 -0.09 0.10 -0.04 1.79 2.06 1dc1A1 LYS 276 HG2 0.17 0.03 0.09 -0.04 1.46 1.71 1dc1A1 LYS 276 HG3 0.08 0.12 0.18 -0.04 1.46 1.80 1dc1A1 LYS 276 HD2 0.08 -0.04 -0.01 -0.04 1.69 1.68 1dc1A1 LYS 276 HD3 0.61 -0.05 0.01 -0.04 1.68 2.21 1dc1A1 LYS 276 HE2 0.12 -0.01 0.01 -0.04 2.99 3.07 1dc1A1 LYS 276 HE3 0.20 -0.01 0.03 -0.04 2.99 3.17 1dc1A1 THR 277 H 0.10 0.12 0.29 -0.55 8.28 8.25 1dc1A1 THR 277 HA 0.06 0.44 1.11 -0.75 4.39 5.24 1dc1A1 THR 277 HB 0.06 -0.07 0.13 -0.04 4.32 4.41 1dc1A1 THR 277 HG23 -0.03 0.05 -0.09 -0.04 1.22 1.11 1dc1A1 ILE 278 H 0.12 0.45 0.44 -0.55 8.25 8.71 1dc1A1 ILE 278 HA 0.14 0.29 0.91 -0.75 4.18 4.77 1dc1A1 ILE 278 HB 0.15 -0.02 -0.08 -0.04 1.89 1.91 1dc1A1 ILE 278 HG12 0.14 0.06 -0.22 -0.04 1.49 1.43 1dc1A1 ILE 278 HG13 0.12 -0.13 -0.25 -0.04 1.21 0.91 1dc1A1 ILE 278 HG23 0.32 -0.01 -0.35 -0.04 0.93 0.84 1dc1A1 ILE 278 HD13 0.17 0.00 -0.27 -0.04 0.88 0.74 1dc1A1 PHE 279 H 0.21 0.49 0.32 -0.55 8.34 8.80 1dc1A1 PHE 279 HA 0.14 0.20 0.96 -0.75 4.62 5.17 1dc1A1 PHE 279 HB2 0.30 0.04 -0.04 -0.04 3.15 3.41 1dc1A1 PHE 279 HB3 0.12 -0.02 0.11 -0.04 3.06 3.23 1dc1A1 PHE 279 HD2 0.12 -0.00 -0.09 -0.04 7.28 7.27 1dc1A1 PHE 279 HE2 0.14 -0.03 -0.13 -0.04 7.38 7.32 1dc1A1 PHE 279 HZ 0.25 -0.05 -0.10 -0.04 7.32 7.38 1dc1A1 ILE 280 H -0.52 0.66 0.33 -0.55 8.25 8.18 1dc1A1 ILE 280 HA -0.17 0.26 1.05 -0.75 4.18 4.56 1dc1A1 ILE 280 HB -0.13 -0.04 0.12 -0.04 1.89 1.79 1dc1A1 ILE 280 HG12 -0.01 0.01 -0.15 -0.04 1.49 1.30 1dc1A1 ILE 280 HG13 -0.01 -0.07 -0.46 -0.04 1.21 0.63 1dc1A1 ILE 280 HG23 -0.08 -0.01 -0.20 -0.04 0.93 0.60 1dc1A1 ILE 280 HD13 0.04 0.02 -0.19 -0.04 0.88 0.70 1dc1A1 GLY 281 H -0.15 0.54 0.33 -0.55 8.43 8.60 1dc1A1 GLY 281 HA2 -0.17 0.28 0.98 -0.51 4.01 4.59 1dc1A1 GLY 281 HA3 -0.04 0.03 0.29 -0.51 4.01 3.78 1dc1A1 ALA 282 H -0.01 0.58 0.27 -0.55 8.40 8.70 1dc1A1 ALA 282 HA -0.05 -0.11 0.70 -0.75 4.34 4.12 1dc1A1 ALA 282 HB3 -0.03 0.08 -0.06 -0.04 1.41 1.35 1dc1A1 ALA 283 H 0.09 0.14 -0.05 -0.55 8.40 8.03 1dc1A1 ALA 283 HA 0.13 0.14 0.75 -0.75 4.34 4.61 1dc1A1 ALA 283 HB3 0.25 -0.03 -0.27 -0.04 1.41 1.32 1dc1A1 ILE 284 H 0.06 0.25 0.03 -0.55 8.25 8.05 1dc1A1 ILE 284 HA 0.06 0.11 0.87 -0.75 4.18 4.47 1dc1A1 ILE 284 HB -0.00 0.25 0.08 -0.04 1.89 2.17 1dc1A1 ILE 284 HG12 0.16 0.01 -0.24 -0.04 1.49 1.38 1dc1A1 ILE 284 HG13 0.06 -0.10 -0.58 -0.04 1.21 0.54 1dc1A1 ILE 284 HG23 -0.10 -0.01 -0.27 -0.04 0.93 0.51 1dc1A1 ILE 284 HD13 0.06 -0.00 -0.04 -0.04 0.88 0.86 1dc1A1 GLU 285 H 0.01 0.10 0.05 -0.55 8.60 8.21 1dc1A1 GLU 285 HA 0.09 0.25 0.78 -0.75 4.29 4.65 1dc1A1 GLU 285 HB2 0.03 -0.07 0.06 -0.04 2.09 2.07 1dc1A1 GLU 285 HB3 0.06 -0.03 0.12 -0.04 1.99 2.10 1dc1A1 GLU 285 HG2 0.12 -0.05 -0.18 -0.04 2.34 2.18 1dc1A1 GLU 285 HG3 0.06 0.09 0.03 -0.04 2.34 2.48 1dc1A1 HIS 286 H 0.12 0.19 0.14 -0.55 8.41 8.31 1dc1A1 HIS 286 HA -0.06 0.13 0.27 -0.75 4.63 4.22 1dc1A1 HIS 286 HB2 -0.02 0.06 0.13 -0.04 3.26 3.39 1dc1A1 HIS 286 HB3 -0.02 -0.02 0.14 -0.04 3.20 3.26 1dc1A1 HIS 286 HD2 -0.03 0.00 -0.17 -0.04 6.97 6.73 1dc1A1 HIS 286 HE1 -0.09 0.00 -0.05 -0.04 7.75 7.57 1dc1A1 SER 287 H 0.05 0.09 -0.05 -0.55 8.46 8.01 1dc1A1 SER 287 HA -0.06 0.13 0.39 -0.75 4.49 4.20 1dc1A1 SER 287 HB2 0.05 0.03 0.11 -0.04 3.95 4.10 1dc1A1 SER 287 HB3 0.02 -0.07 0.07 -0.04 3.93 3.91 1dc1A1 MET 288 H -0.09 0.03 -0.18 -0.55 8.47 7.68 1dc1A1 MET 288 HA -0.22 0.12 0.43 -0.75 4.52 4.09 1dc1A1 MET 288 HB2 -1.20 0.08 0.01 -0.04 2.15 1.00 1dc1A1 MET 288 HB3 -0.10 -0.00 0.04 -0.04 2.03 1.93 1dc1A1 MET 288 HG2 -0.10 -0.15 -0.01 -0.04 2.63 2.32 1dc1A1 MET 288 HG3 -0.28 0.18 -0.09 -0.04 2.56 2.33 1dc1A1 MET 288 HE3 -0.18 0.04 -0.04 -0.04 2.10 1.88 1dc1A1 ALA 289 H -0.25 0.40 -0.37 -0.55 8.40 7.63 1dc1A1 ALA 289 HA -0.27 0.02 0.33 -0.75 4.34 3.66 1dc1A1 ALA 289 HB3 -0.23 0.08 -0.03 -0.04 1.41 1.18 1dc1A1 GLU 290 H -0.31 0.51 -0.12 -0.55 8.60 8.13 1dc1A1 GLU 290 HA -0.09 -0.01 0.47 -0.75 4.29 3.91 1dc1A1 GLU 290 HB2 -0.10 0.14 0.13 -0.04 2.09 2.23 1dc1A1 GLU 290 HB3 -0.04 -0.01 0.04 -0.04 1.99 1.93 1dc1A1 GLU 290 HG2 -0.56 -0.03 0.07 -0.04 2.34 1.78 1dc1A1 GLU 290 HG3 -0.35 -0.04 0.02 -0.04 2.34 1.93 1dc1A1 GLU 291 H -0.11 0.34 -0.18 -0.55 8.60 8.10 1dc1A1 GLU 291 HA 0.04 0.06 0.47 -0.75 4.29 4.12 1dc1A1 GLU 291 HB2 0.06 0.05 0.11 -0.04 2.09 2.28 1dc1A1 GLU 291 HB3 0.26 0.01 0.00 -0.04 1.99 2.23 1dc1A1 GLU 291 HG2 0.09 0.01 -0.01 -0.04 2.34 2.39 1dc1A1 GLU 291 HG3 0.04 0.13 0.05 -0.04 2.34 2.52 1dc1A1 ILE 292 H -0.34 0.58 -0.11 -0.55 8.25 7.83 1dc1A1 ILE 292 HA -0.16 0.05 0.40 -0.75 4.18 3.71 1dc1A1 ILE 292 HB -0.27 0.05 0.12 -0.04 1.89 1.74 1dc1A1 ILE 292 HG12 -1.20 -0.01 -0.04 -0.04 1.49 0.20 1dc1A1 ILE 292 HG13 -1.53 0.09 0.01 -0.04 1.21 -0.27 1dc1A1 ILE 292 HG23 -0.10 -0.00 -0.18 -0.04 0.93 0.62 1dc1A1 ILE 292 HD13 -0.65 -0.04 -0.17 -0.04 0.88 -0.01 1dc1A1 TRP 293 H 0.08 0.61 -0.13 -0.55 7.97 7.98 1dc1A1 TRP 293 HA -0.24 0.02 0.29 -0.75 4.62 3.94 1dc1A1 TRP 293 HB2 -0.15 0.04 0.13 -0.04 3.23 3.22 1dc1A1 TRP 293 HB3 -0.12 0.11 0.16 -0.04 3.23 3.34 1dc1A1 TRP 293 HD1 -0.05 0.03 -0.10 -0.04 7.22 7.06 1dc1A1 TRP 293 HE1 0.00 0.04 -0.05 -0.04 10.20 10.15 1dc1A1 TRP 293 HE3 -0.13 -0.00 -0.15 -0.04 7.59 7.26 1dc1A1 TRP 293 HZ2 0.05 0.10 -0.13 -0.04 7.44 7.43 1dc1A1 TRP 293 HZ3 0.07 0.02 -0.32 -0.04 7.13 6.87 1dc1A1 TRP 293 HH2 0.09 0.20 -0.50 -0.04 7.19 6.95 1dc1A1 ASP 294 H 0.09 0.60 -0.15 -0.55 8.40 8.38 1dc1A1 ASP 294 HA -0.07 0.01 0.44 -0.75 4.63 4.25 1dc1A1 ASP 294 HB2 0.05 -0.04 0.10 -0.04 2.71 2.78 1dc1A1 ASP 294 HB3 0.03 0.10 0.19 -0.04 2.70 2.98 1dc1A1 GLN 295 H -0.04 0.52 -0.20 -0.55 8.47 8.21 1dc1A1 GLN 295 HA -0.05 0.01 0.47 -0.75 4.36 4.05 1dc1A1 GLN 295 HB2 0.00 0.12 0.12 -0.04 2.15 2.35 1dc1A1 GLN 295 HB3 0.01 -0.09 -0.05 -0.04 2.02 1.85 1dc1A1 GLN 295 HG2 0.04 -0.04 -0.01 -0.04 2.40 2.36 1dc1A1 GLN 295 HG3 0.09 0.24 0.07 -0.04 2.39 2.76 1dc1A1 GLN 295 HE21 0.11 -0.04 -0.07 -0.04 6.97 6.93 1dc1A1 GLN 295 HE22 0.20 -0.02 -0.07 -0.04 7.69 7.75 1dc1A1 LEU 296 H -0.30 0.55 -0.15 -0.55 8.37 7.93 1dc1A1 LEU 296 HA -0.40 0.36 0.50 -0.75 4.35 4.05 1dc1A1 LEU 296 HB2 -1.02 0.05 0.10 -0.04 1.64 0.73 1dc1A1 LEU 296 HB3 -2.24 -0.02 -0.07 -0.04 1.64 -0.72 1dc1A1 LEU 296 HG -0.34 0.11 -0.12 -0.04 1.64 1.25 1dc1A1 LEU 296 HD13 -0.39 -0.05 -0.19 -0.04 0.93 0.26 1dc1A1 LEU 296 HD23 -0.38 0.03 -0.38 -0.04 0.89 0.12 1dc1A1 GLN 297 H -0.51 0.53 -0.10 -0.55 8.47 7.84 1dc1A1 GLN 297 HA -0.16 0.05 0.39 -0.75 4.36 3.87 1dc1A1 GLN 297 HB2 -0.24 0.05 0.16 -0.04 2.15 2.08 1dc1A1 GLN 297 HB3 -0.17 -0.05 0.04 -0.04 2.02 1.80 1dc1A1 GLN 297 HG2 -1.12 0.22 0.06 -0.04 2.40 1.51 1dc1A1 GLN 297 HG3 -0.46 -0.11 -0.03 -0.04 2.39 1.74 1dc1A1 GLN 297 HE21 -0.37 0.03 -0.06 -0.04 6.97 6.52 1dc1A1 GLN 297 HE22 -2.37 -0.07 -0.08 -0.04 7.69 5.12 1dc1A1 SER 298 H -0.13 0.45 -0.16 -0.55 8.46 8.06 1dc1A1 SER 298 HA -0.05 0.09 0.55 -0.75 4.49 4.33 1dc1A1 SER 298 HB2 -0.05 0.00 0.10 -0.04 3.95 3.97 1dc1A1 SER 298 HB3 -0.03 -0.04 0.13 -0.04 3.93 3.96 1dc1A1 GLY 299 H -0.09 0.36 -0.61 -0.55 8.43 7.54 1dc1A1 GLY 299 HA2 -0.02 0.10 0.27 -0.51 4.01 3.85 1dc1A1 GLY 299 HA3 -0.01 0.06 0.54 -0.51 4.01 4.09 1dc1A1 SER 300 H -0.04 0.12 -0.19 -0.55 8.46 7.80 1dc1A1 SER 300 HA 0.00 0.10 0.47 -0.75 4.49 4.31 1dc1A1 SER 300 HB2 -0.01 0.00 0.08 -0.04 3.95 3.98 1dc1A1 SER 300 HB3 0.00 -0.04 0.02 -0.04 3.93 3.88 1dc1A1 LEU 301 H -0.05 0.45 -0.21 -0.55 8.37 8.01 1dc1A1 LEU 301 HA 0.03 0.11 0.71 -0.75 4.35 4.46 1dc1A1 LEU 301 HB2 0.05 -0.06 -0.17 -0.04 1.64 1.42 1dc1A1 LEU 301 HB3 -0.08 -0.03 -0.27 -0.04 1.64 1.23 1dc1A1 LEU 301 HG 0.03 0.05 -0.16 -0.04 1.64 1.52 1dc1A1 LEU 301 HD13 0.16 -0.03 -0.21 -0.04 0.93 0.81 1dc1A1 LEU 301 HD23 0.08 -0.03 -0.12 -0.04 0.89 0.78 1dc1A1 THR 302 H 0.05 0.32 0.27 -0.55 8.28 8.37 1dc1A1 THR 302 HA 0.01 0.16 0.58 -0.75 4.39 4.38 1dc1A1 THR 302 HB 0.19 0.05 0.11 -0.04 4.32 4.63 1dc1A1 THR 302 HG23 0.22 0.00 0.05 -0.04 1.22 1.45 1dc1A1 ASN 303 H -0.01 0.37 0.21 -0.55 8.53 8.55 1dc1A1 ASN 303 HA -0.14 0.06 0.53 -0.75 4.76 4.46 1dc1A1 ASN 303 HB2 -0.90 0.06 -0.37 -0.04 2.88 1.63 1dc1A1 ASN 303 HB3 -0.16 -0.06 -0.18 -0.04 2.79 2.35 1dc1A1 ASN 303 HD21 -0.54 0.03 -0.21 -0.04 7.03 6.27 1dc1A1 ASN 303 HD22 -2.34 0.05 -0.12 -0.04 7.74 5.29 1dc1A1 SER 304 H 0.06 0.33 0.18 -0.55 8.46 8.48 1dc1A1 SER 304 HA 0.10 0.22 0.75 -0.75 4.49 4.81 1dc1A1 SER 304 HB2 0.06 0.02 -0.20 -0.04 3.95 3.79 1dc1A1 SER 304 HB3 0.03 -0.04 -0.10 -0.04 3.93 3.78 1dc1A1 ALA 305 H 0.05 0.45 0.34 -0.55 8.40 8.70 1dc1A1 ALA 305 HA 0.12 0.13 0.48 -0.75 4.34 4.31 1dc1A1 ALA 305 HB3 -0.03 0.03 -0.22 -0.04 1.41 1.14 1dc1A1 ASN 306 H 0.03 0.22 0.12 -0.55 8.53 8.35 1dc1A1 ASN 306 HA -0.01 0.30 0.91 -0.75 4.76 5.20 1dc1A1 ASN 306 HB2 -0.01 0.18 0.13 -0.04 2.88 3.14 1dc1A1 ASN 306 HB3 -0.02 -0.06 0.19 -0.04 2.79 2.87 1dc1A1 ASN 306 HD21 -0.09 -0.16 -0.05 -0.04 7.03 6.69 1dc1A1 ASN 306 HD22 -0.04 0.64 -0.06 -0.04 7.74 8.25 1dc1A1 LEU 307 H -0.05 0.47 -0.10 -0.55 8.37 8.15 1dc1A1 LEU 307 HA -0.05 0.09 0.19 -0.75 4.35 3.82 1dc1A1 LEU 307 HB2 -0.07 -0.02 -0.20 -0.04 1.64 1.31 1dc1A1 LEU 307 HB3 -0.06 -0.03 -0.17 -0.04 1.64 1.34 1dc1A1 LEU 307 HG -0.05 0.02 -0.10 -0.04 1.64 1.46 1dc1A1 LEU 307 HD13 -0.05 0.01 -0.11 -0.04 0.93 0.74 1dc1A1 LEU 307 HD23 -0.05 0.00 -0.11 -0.04 0.89 0.69 1dc1A1 THR 308 H -0.07 0.12 -0.29 -0.55 8.28 7.50 1dc1A1 THR 308 HA -0.06 0.17 0.56 -0.75 4.39 4.30 1dc1A1 THR 308 HB -0.10 -0.03 0.16 -0.04 4.32 4.31 1dc1A1 THR 308 HG23 -0.12 -0.00 0.06 -0.04 1.22 1.12 1dc1A1 LYS 309 H -0.05 0.53 -0.38 -0.55 8.42 7.97 1dc1A1 LYS 309 HA -0.04 0.11 0.93 -0.75 4.32 4.57 1dc1A1 LYS 309 HB2 -0.02 0.10 0.25 -0.04 1.87 2.16 1dc1A1 LYS 309 HB3 -0.02 -0.06 0.11 -0.04 1.79 1.78 1dc1A1 LYS 309 HG2 -0.04 0.00 -0.02 -0.04 1.46 1.36 1dc1A1 LYS 309 HG3 -0.05 -0.11 -0.15 -0.04 1.46 1.10 1dc1A1 LYS 309 HD2 -0.01 0.06 0.08 -0.04 1.69 1.78 1dc1A1 LYS 309 HD3 -0.02 -0.02 0.07 -0.04 1.68 1.67 1dc1A1 LYS 309 HE2 -0.05 -0.22 0.01 -0.04 2.99 2.69 1dc1A1 LYS 309 HE3 -0.05 0.03 -0.19 -0.04 2.99 2.74 1dc1A1 THR 310 H -0.04 0.26 0.10 -0.55 8.28 8.05 1dc1A1 THR 310 HA -0.04 0.09 0.32 -0.75 4.39 4.00 1dc1A1 THR 310 HB -0.03 -0.01 0.12 -0.04 4.32 4.36 1dc1A1 THR 310 HG23 -0.03 0.02 -0.07 -0.04 1.22 1.10 1dc1A1 GLU 311 H -0.02 0.10 -0.12 -0.55 8.60 8.01 1dc1A1 GLU 311 HA -0.03 0.11 0.43 -0.75 4.29 4.05 1dc1A1 GLU 311 HB2 0.00 -0.03 0.08 -0.04 2.09 2.10 1dc1A1 GLU 311 HB3 0.01 0.11 0.02 -0.04 1.99 2.09 1dc1A1 GLU 311 HG2 -0.01 0.04 0.04 -0.04 2.34 2.37 1dc1A1 GLU 311 HG3 -0.01 -0.08 0.06 -0.04 2.34 2.27 1dc1A1 GLN 312 H -0.04 0.18 -0.26 -0.55 8.47 7.80 1dc1A1 GLN 312 HA -0.24 0.12 0.50 -0.75 4.36 3.98 1dc1A1 GLN 312 HB2 -0.04 0.21 0.22 -0.04 2.15 2.49 1dc1A1 GLN 312 HB3 -0.03 -0.07 0.08 -0.04 2.02 1.95 1dc1A1 GLN 312 HG2 0.15 0.15 0.05 -0.04 2.40 2.71 1dc1A1 GLN 312 HG3 0.03 -0.10 0.10 -0.04 2.39 2.37 1dc1A1 GLN 312 HE21 0.03 0.50 0.06 -0.04 6.97 7.52 1dc1A1 GLN 312 HE22 0.05 -0.04 0.09 -0.04 7.69 7.75 1dc1A1 VAL 313 H -0.08 0.48 -0.05 -0.55 8.24 8.04 1dc1A1 VAL 313 HA -0.09 0.01 0.30 -0.75 4.13 3.59 1dc1A1 VAL 313 HB -0.06 0.03 0.04 -0.04 2.12 2.09 1dc1A1 VAL 313 HG13 -0.04 -0.00 -0.12 -0.04 0.97 0.77 1dc1A1 VAL 313 HG23 -0.05 0.07 -0.13 -0.04 0.95 0.79 1dc1A1 GLY 314 H -0.07 0.65 -0.12 -0.55 8.43 8.35 1dc1A1 GLY 314 HA2 -0.05 0.02 0.30 -0.51 4.01 3.78 1dc1A1 GLY 314 HA3 -0.04 0.07 0.28 -0.51 4.01 3.80 1dc1A1 SER 315 H -0.11 0.49 -0.21 -0.55 8.46 8.07 1dc1A1 SER 315 HA 0.02 0.02 0.36 -0.75 4.49 4.14 1dc1A1 SER 315 HB2 0.03 0.01 0.06 -0.04 3.95 4.01 1dc1A1 SER 315 HB3 -0.30 0.09 0.17 -0.04 3.93 3.84 1dc1A1 LEU 316 H -0.25 0.57 -0.21 -0.55 8.37 7.93 1dc1A1 LEU 316 HA 0.18 0.02 0.32 -0.75 4.35 4.12 1dc1A1 LEU 316 HB2 -0.14 0.06 -0.01 -0.04 1.64 1.51 1dc1A1 LEU 316 HB3 -0.02 0.09 0.05 -0.04 1.64 1.71 1dc1A1 LEU 316 HG 0.08 -0.09 -0.26 -0.04 1.64 1.33 1dc1A1 LEU 316 HD13 0.19 -0.01 -0.37 -0.04 0.93 0.70 1dc1A1 LEU 316 HD23 0.23 -0.00 -0.18 -0.04 0.89 0.89 1dc1A1 CYS 317 H 0.00 0.64 -0.16 -0.55 8.50 8.44 1dc1A1 CYS 317 HA 0.04 -0.02 0.35 -0.75 4.58 4.19 1dc1A1 CYS 317 HB2 -0.04 0.10 0.01 -0.04 2.97 3.00 1dc1A1 CYS 317 HB3 -0.08 -0.01 -0.16 -0.04 2.97 2.68 1dc1A1 ARG 318 H 0.02 0.65 -0.12 -0.55 8.46 8.46 1dc1A1 ARG 318 HA -0.05 0.03 0.41 -0.75 4.34 3.97 1dc1A1 ARG 318 HB2 0.06 0.09 0.11 -0.04 1.90 2.12 1dc1A1 ARG 318 HB3 0.03 -0.02 -0.04 -0.04 1.80 1.73 1dc1A1 ARG 318 HG2 -0.03 -0.02 0.01 -0.04 1.67 1.58 1dc1A1 ARG 318 HG3 -0.01 0.15 0.03 -0.04 1.67 1.79 1dc1A1 ARG 318 HD2 0.01 0.00 -0.04 -0.04 3.22 3.16 1dc1A1 ARG 318 HD3 -0.01 -0.04 -0.05 -0.04 3.22 3.08 1dc1A1 TRP 319 H 0.28 0.47 -0.26 -0.55 7.97 7.91 1dc1A1 TRP 319 HA 0.02 0.03 0.33 -0.75 4.62 4.25 1dc1A1 TRP 319 HB2 0.05 -0.01 0.06 -0.04 3.23 3.30 1dc1A1 TRP 319 HB3 0.05 0.14 0.13 -0.04 3.23 3.51 1dc1A1 TRP 319 HD1 0.03 0.00 -0.02 -0.04 7.22 7.20 1dc1A1 TRP 319 HE1 0.04 0.03 -0.04 -0.04 10.20 10.19 1dc1A1 TRP 319 HE3 0.06 0.14 -0.11 -0.04 7.59 7.64 1dc1A1 TRP 319 HZ2 0.05 0.04 -0.06 -0.04 7.44 7.43 1dc1A1 TRP 319 HZ3 0.06 -0.08 -0.21 -0.04 7.13 6.86 1dc1A1 TRP 319 HH2 0.05 -0.04 -0.17 -0.04 7.19 6.99 1dc1A1 ILE 320 H 0.17 0.54 -0.17 -0.55 8.25 8.24 1dc1A1 ILE 320 HA -0.61 0.00 0.27 -0.75 4.18 3.09 1dc1A1 ILE 320 HB -0.01 0.08 0.05 -0.04 1.89 1.98 1dc1A1 ILE 320 HG12 -0.00 -0.04 -0.12 -0.04 1.49 1.28 1dc1A1 ILE 320 HG13 0.31 0.15 -0.10 -0.04 1.21 1.54 1dc1A1 ILE 320 HG23 0.09 -0.02 -0.31 -0.04 0.93 0.65 1dc1A1 ILE 320 HD13 0.12 -0.04 -0.21 -0.04 0.88 0.71 1dc1A1 ILE 321 H -0.14 0.53 -0.28 -0.55 8.25 7.82 1dc1A1 ILE 321 HA -0.11 -0.01 0.31 -0.75 4.18 3.61 1dc1A1 ILE 321 HB -0.23 0.14 0.08 -0.04 1.89 1.84 1dc1A1 ILE 321 HG12 -1.39 -0.06 -0.06 -0.04 1.49 -0.06 1dc1A1 ILE 321 HG13 -0.56 -0.02 -0.02 -0.04 1.21 0.57 1dc1A1 ILE 321 HG23 -0.38 -0.02 -0.19 -0.04 0.93 0.30 1dc1A1 ILE 321 HD13 -0.37 0.02 -0.12 -0.04 0.88 0.37 1dc1A1 ASN 322 H -0.12 0.35 -0.52 -0.55 8.53 7.70 1dc1A1 ASN 322 HA 0.01 0.12 0.73 -0.75 4.76 4.86 1dc1A1 ASN 322 HB2 -0.04 0.11 0.05 -0.04 2.88 2.96 1dc1A1 ASN 322 HB3 -0.02 -0.06 0.09 -0.04 2.79 2.77 1dc1A1 ASN 322 HD21 -0.02 -0.09 -0.07 -0.04 7.03 6.81 1dc1A1 ASN 322 HD22 -0.01 0.45 -0.01 -0.04 7.74 8.14 1dc1A1 ILE 323 H -0.21 0.35 -0.46 -0.55 8.25 7.38 1dc1A1 ILE 323 HA -0.24 0.06 0.28 -0.75 4.18 3.52 1dc1A1 ILE 323 HB -0.27 0.16 0.03 -0.04 1.89 1.76 1dc1A1 ILE 323 HG12 -1.03 -0.05 -0.07 -0.04 1.49 0.30 1dc1A1 ILE 323 HG13 -1.21 0.29 -0.03 -0.04 1.21 0.23 1dc1A1 ILE 323 HG23 -0.19 -0.02 -0.04 -0.04 0.93 0.64 1dc1A1 ILE 323 HD13 -1.17 -0.03 -0.10 -0.04 0.88 -0.47