============================================================================= 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 9 1.000 84.905 67.174-120.568 -99.200 -91.000 TYR 11 0.840 83.118 63.965-115.163 -99.200 -91.000 HIS 14 0.900 76.334 59.704-118.010 -99.200 -91.000 PHE 41 1.000 72.686 80.059-123.823 -99.200 -91.000 PHE 56 1.000 76.148 94.185-101.043 -99.200 -91.000 PHE 57 1.000 81.271 89.043-105.678 -99.200 -91.000 TYR 63 0.840 68.962 75.130-112.347 -99.200 -91.000 TYR 68 0.840 62.078 75.636-123.731 -99.200 -91.000 PHE 77 1.000 43.622 79.735-114.787 -99.200 -91.000 PHE 78 1.000 47.942 83.804-115.151 -99.200 -91.000 PHE 103 1.000 83.391 85.869-108.640 -99.200 -91.000 PHE 107 1.000 85.078 91.576-109.465 -99.200 -91.000 PHE 145 1.000 85.414 81.714-110.838 -99.200 -91.000 TYR 156 0.840 79.424 52.780-100.007 -99.200 -91.000 TYR 161 0.840 83.639 55.229-102.048 -99.200 -91.000 PHE 207 1.000 85.262 57.187-107.089 -99.200 -91.000 HIS 209 0.900 89.691 67.626-105.239 -99.200 -91.000 TRP 231 1.040 86.782 91.587-117.342 -99.200 -91.000 TRP6 231 1.020 85.034 92.677-116.180 -99.200 -91.000 TRP 233 1.040 89.164 94.659-110.095 -99.200 -91.000 TRP6 233 1.020 89.961 93.792-108.044 -99.200 -91.000 TYR 258 0.840 85.527 90.617 -81.867 -99.200 -91.000 TYR 267 0.840 77.559 90.440 -82.986 -99.200 -91.000 HIS 298 0.900 84.872 92.068 -91.344 -99.200 -91.000 HIS 338 0.900 48.734 65.772 -84.567 -99.200 -91.000 PHE 343 1.000 69.311 70.516 -78.788 -99.200 -91.000 PHE 376 1.000 61.090 64.233 -92.908 -99.200 -91.000 PHE 378 1.000 63.140 69.725 -90.805 -99.200 -91.000 HIS 379 0.900 57.246 73.344 -95.243 -99.200 -91.000 TYR 380 0.840 65.766 77.584 -91.012 -99.200 -91.000 PHE 382 1.000 67.855 83.480 -88.826 -99.200 -91.000 TYR 385 0.840 60.883 85.836 -83.243 -99.200 -91.000 HIS 403 0.900 70.570 77.823 -94.097 -99.200 -91.000 PHE 421 1.000 53.622 57.137 -88.767 -99.200 -91.000 TYR 423 0.840 48.679 57.242 -90.525 -99.200 -91.000 TYR 475 0.840 95.757 70.714 -88.704 -99.200 -91.000 HIS 487 0.900 79.318 86.026 -89.939 -99.200 -91.000 PHE 493 1.000 83.535 68.689 -92.004 -99.200 -91.000 HIS 532 0.900 78.152 66.778 -74.371 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h1cM1 MET 1 HA 0.00 -0.08 0.20 -0.75 4.52 3.89 3h1cM1 MET 1 HB2 0.01 -0.00 0.14 -0.04 2.15 2.25 3h1cM1 MET 1 HB3 0.01 0.00 0.00 -0.04 2.03 2.00 3h1cM1 MET 1 HG2 0.00 -0.02 0.05 -0.04 2.63 2.62 3h1cM1 MET 1 HG3 0.00 -0.01 0.03 -0.04 2.56 2.55 3h1cM1 MET 1 HE3 0.00 -0.01 0.03 -0.04 2.10 2.08 3h1cM1 LEU 2 H 0.00 0.18 0.10 -0.55 8.37 8.11 3h1cM1 LEU 2 HA 0.01 0.15 0.80 -0.75 4.35 4.55 3h1cM1 LEU 2 HB2 0.01 0.09 -0.24 -0.04 1.64 1.45 3h1cM1 LEU 2 HB3 0.00 -0.07 0.01 -0.04 1.64 1.55 3h1cM1 LEU 2 HG 0.01 -0.06 -0.21 -0.04 1.64 1.34 3h1cM1 LEU 2 HD13 0.02 0.02 0.10 -0.04 0.93 1.02 3h1cM1 LEU 2 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 3h1cM1 ASN 3 H 0.01 0.31 0.12 -0.55 8.53 8.43 3h1cM1 ASN 3 HA 0.01 0.13 0.76 -0.75 4.76 4.91 3h1cM1 ASN 3 HB2 0.01 0.08 0.02 -0.04 2.88 2.95 3h1cM1 ASN 3 HB3 0.01 0.00 -0.13 -0.04 2.79 2.63 3h1cM1 ASN 3 HD21 0.01 -0.00 -0.05 -0.04 7.03 6.95 3h1cM1 ASN 3 HD22 0.01 0.03 -0.08 -0.04 7.74 7.66 3h1cM1 PRO 4 HA 0.02 0.20 0.63 -0.51 4.44 4.79 3h1cM1 PRO 4 HB2 0.02 0.01 -0.07 -0.04 2.28 2.20 3h1cM1 PRO 4 HB3 0.02 -0.06 -0.01 -0.04 2.02 1.93 3h1cM1 PRO 4 HG2 0.01 0.02 0.00 -0.04 2.03 2.03 3h1cM1 PRO 4 HG3 0.01 0.01 0.01 -0.04 2.03 2.01 3h1cM1 PRO 4 HD2 0.01 0.10 0.21 -0.04 3.68 3.96 3h1cM1 PRO 4 HD3 0.01 0.14 0.13 -0.04 3.65 3.89 3h1cM1 ILE 5 H 0.02 0.45 0.32 -0.55 8.25 8.49 3h1cM1 ILE 5 HA 0.02 0.14 0.95 -0.75 4.18 4.53 3h1cM1 ILE 5 HB 0.02 0.02 0.19 -0.04 1.89 2.08 3h1cM1 ILE 5 HG12 0.01 -0.00 -0.05 -0.04 1.49 1.42 3h1cM1 ILE 5 HG13 0.02 -0.03 -0.28 -0.04 1.21 0.87 3h1cM1 ILE 5 HG23 0.02 -0.00 -0.12 -0.04 0.93 0.78 3h1cM1 ILE 5 HD13 0.02 0.02 -0.03 -0.04 0.88 0.84 3h1cM1 VAL 6 H 0.02 0.21 0.16 -0.55 8.24 8.08 3h1cM1 VAL 6 HA 0.03 0.41 1.05 -0.75 4.13 4.86 3h1cM1 VAL 6 HB 0.02 -0.01 0.05 -0.04 2.12 2.14 3h1cM1 VAL 6 HG13 0.02 -0.02 -0.16 -0.04 0.97 0.77 3h1cM1 VAL 6 HG23 0.02 0.00 -0.20 -0.04 0.95 0.73 3h1cM1 ARG 7 H 0.05 0.50 0.35 -0.55 8.46 8.81 3h1cM1 ARG 7 HA 0.06 0.12 0.80 -0.75 4.34 4.56 3h1cM1 ARG 7 HB2 0.04 0.06 -0.05 -0.04 1.90 1.92 3h1cM1 ARG 7 HB3 0.08 -0.01 0.12 -0.04 1.80 1.95 3h1cM1 ARG 7 HG2 0.17 -0.05 -0.30 -0.04 1.67 1.45 3h1cM1 ARG 7 HG3 0.07 0.00 0.03 -0.04 1.67 1.73 3h1cM1 ARG 7 HD2 0.02 0.02 -0.03 -0.04 3.22 3.19 3h1cM1 ARG 7 HD3 -0.01 -0.04 -0.03 -0.04 3.22 3.10 3h1cM1 LYS 8 H 0.08 0.22 0.16 -0.55 8.42 8.32 3h1cM1 LYS 8 HA 0.03 0.38 1.15 -0.75 4.32 5.12 3h1cM1 LYS 8 HB2 0.03 -0.01 0.08 -0.04 1.87 1.93 3h1cM1 LYS 8 HB3 0.00 -0.03 -0.04 -0.04 1.79 1.68 3h1cM1 LYS 8 HG2 -0.01 0.04 -0.07 -0.04 1.46 1.38 3h1cM1 LYS 8 HG3 0.02 -0.05 -0.24 -0.04 1.46 1.14 3h1cM1 LYS 8 HD2 0.01 0.00 -0.07 -0.04 1.69 1.60 3h1cM1 LYS 8 HD3 -0.00 -0.02 -0.10 -0.04 1.68 1.52 3h1cM1 LYS 8 HE2 0.00 0.00 -0.08 -0.04 2.99 2.88 3h1cM1 LYS 8 HE3 -0.00 -0.00 -0.10 -0.04 2.99 2.85 3h1cM1 PHE 9 H -0.24 0.52 0.32 -0.55 8.34 8.38 3h1cM1 PHE 9 HA 0.02 0.11 0.68 -0.75 4.62 4.68 3h1cM1 PHE 9 HB2 0.03 0.01 -0.01 -0.04 3.15 3.13 3h1cM1 PHE 9 HB3 0.01 0.10 -0.13 -0.04 3.06 3.00 3h1cM1 PHE 9 HD2 0.03 0.02 -0.32 -0.04 7.28 6.97 3h1cM1 PHE 9 HE2 -0.13 -0.01 -0.14 -0.04 7.38 7.06 3h1cM1 PHE 9 HZ -0.15 -0.02 -0.05 -0.04 7.32 7.07 3h1cM1 GLN 10 H 0.15 0.20 0.11 -0.55 8.47 8.38 3h1cM1 GLN 10 HA 0.02 0.12 0.67 -0.75 4.36 4.41 3h1cM1 GLN 10 HB2 0.04 0.02 0.07 -0.04 2.15 2.23 3h1cM1 GLN 10 HB3 0.07 0.01 0.21 -0.04 2.02 2.27 3h1cM1 GLN 10 HG2 0.02 -0.12 -0.16 -0.04 2.40 2.10 3h1cM1 GLN 10 HG3 0.01 0.05 -0.16 -0.04 2.39 2.24 3h1cM1 GLN 10 HE21 -0.01 0.04 -0.03 -0.04 6.97 6.93 3h1cM1 GLN 10 HE22 -0.02 -0.09 -0.07 -0.04 7.69 7.47 3h1cM1 TYR 11 H 0.08 0.49 0.32 -0.55 8.29 8.63 3h1cM1 TYR 11 HA 0.12 0.13 0.88 -0.75 4.56 4.93 3h1cM1 TYR 11 HB2 0.31 0.00 -0.09 -0.04 3.06 3.24 3h1cM1 TYR 11 HB3 -0.02 -0.01 0.13 -0.04 2.98 3.04 3h1cM1 TYR 11 HD2 0.09 -0.02 0.00 -0.04 7.15 7.18 3h1cM1 TYR 11 HE2 0.03 0.13 -0.00 -0.04 6.85 6.97 3h1cM1 GLY 12 H -0.05 0.23 0.05 -0.55 8.43 8.11 3h1cM1 GLY 12 HA2 -0.12 0.03 0.35 -0.51 4.01 3.76 3h1cM1 GLY 12 HA3 -0.29 0.08 0.35 -0.51 4.01 3.63 3h1cM1 GLN 13 H -0.07 0.10 -0.05 -0.55 8.47 7.90 3h1cM1 GLN 13 HA -0.12 -0.01 0.28 -0.75 4.36 3.76 3h1cM1 GLN 13 HB2 -0.14 -0.03 -0.21 -0.04 2.15 1.72 3h1cM1 GLN 13 HB3 -0.39 0.16 0.25 -0.04 2.02 2.00 3h1cM1 GLN 13 HG2 -0.17 -0.00 0.05 -0.04 2.40 2.23 3h1cM1 GLN 13 HG3 -0.21 -0.03 0.16 -0.04 2.39 2.26 3h1cM1 GLN 13 HE21 -0.05 -0.01 -0.01 -0.04 6.97 6.87 3h1cM1 GLN 13 HE22 -0.07 0.04 -0.04 -0.04 7.69 7.57 3h1cM1 HIS 14 H -0.03 0.23 -0.75 -0.55 8.41 7.31 3h1cM1 HIS 14 HA -0.02 0.17 0.88 -0.75 4.63 4.91 3h1cM1 HIS 14 HB2 0.00 0.18 -0.05 -0.04 3.26 3.35 3h1cM1 HIS 14 HB3 -0.00 -0.09 -0.06 -0.04 3.20 3.01 3h1cM1 HIS 14 HD2 -0.01 -0.06 0.04 -0.04 6.97 6.90 3h1cM1 HIS 14 HE1 -0.00 0.06 -0.02 -0.04 7.75 7.75 3h1cM1 THR 15 H 0.08 0.14 0.18 -0.55 8.28 8.13 3h1cM1 THR 15 HA -0.06 0.17 0.95 -0.75 4.39 4.70 3h1cM1 THR 15 HB -0.01 -0.02 0.10 -0.04 4.32 4.35 3h1cM1 THR 15 HG23 -0.04 0.02 -0.16 -0.04 1.22 1.00 3h1cM1 VAL 16 H -0.37 0.57 0.33 -0.55 8.24 8.22 3h1cM1 VAL 16 HA -0.17 0.20 1.03 -0.75 4.13 4.43 3h1cM1 VAL 16 HB -1.48 0.02 0.15 -0.04 2.12 0.78 3h1cM1 VAL 16 HG13 -0.14 -0.00 -0.17 -0.04 0.97 0.61 3h1cM1 VAL 16 HG23 -0.16 -0.02 -0.11 -0.04 0.95 0.62 3h1cM1 THR 17 H -0.08 0.73 0.37 -0.55 8.28 8.75 3h1cM1 THR 17 HA -0.04 0.20 1.02 -0.75 4.39 4.82 3h1cM1 THR 17 HB -0.01 -0.04 0.15 -0.04 4.32 4.38 3h1cM1 THR 17 HG23 0.01 -0.00 -0.13 -0.04 1.22 1.05 3h1cM1 LEU 18 H 0.04 0.50 0.30 -0.55 8.37 8.66 3h1cM1 LEU 18 HA 0.04 0.24 1.04 -0.75 4.35 4.91 3h1cM1 LEU 18 HB2 0.08 -0.00 0.21 -0.04 1.64 1.89 3h1cM1 LEU 18 HB3 0.05 0.01 -0.01 -0.04 1.64 1.66 3h1cM1 LEU 18 HG 0.17 -0.01 -0.25 -0.04 1.64 1.51 3h1cM1 LEU 18 HD13 0.20 0.00 -0.11 -0.04 0.93 0.98 3h1cM1 LEU 18 HD23 0.09 0.01 -0.17 -0.04 0.89 0.78 3h1cM1 GLU 19 H 0.05 0.47 0.30 -0.55 8.60 8.87 3h1cM1 GLU 19 HA 0.04 0.37 1.07 -0.75 4.29 5.02 3h1cM1 THR 20 H 0.03 0.49 0.38 -0.55 8.28 8.64 3h1cM1 THR 20 HA 0.06 0.15 0.89 -0.75 4.39 4.73 3h1cM1 THR 20 HB 0.02 -0.06 -0.08 -0.04 4.32 4.16 3h1cM1 THR 20 HG23 0.02 0.03 -0.05 -0.04 1.22 1.18 3h1cM1 GLY 21 H 0.04 0.31 0.21 -0.55 8.43 8.45 3h1cM1 GLY 21 HA2 0.03 0.13 0.36 -0.51 4.01 4.03 3h1cM1 GLY 21 HA3 0.03 0.17 0.65 -0.51 4.01 4.34 3h1cM1 MET 22 H 0.05 -0.08 -0.32 -0.55 8.47 7.58 3h1cM1 MET 22 HA 0.03 0.25 0.77 -0.75 4.52 4.82 3h1cM1 MET 22 HB2 0.03 0.04 -0.25 -0.04 2.15 1.92 3h1cM1 MET 22 HB3 0.04 -0.11 -0.03 -0.04 2.03 1.88 3h1cM1 MET 22 HG2 0.01 -0.04 -0.29 -0.04 2.63 2.26 3h1cM1 MET 22 HG3 0.01 0.04 -0.15 -0.04 2.56 2.43 3h1cM1 MET 22 HE3 0.00 -0.02 -0.09 -0.04 2.10 1.96 3h1cM1 MET 23 H 0.09 0.02 -0.00 -0.55 8.47 8.03 3h1cM1 MET 23 HA 0.05 0.08 0.54 -0.75 4.52 4.44 3h1cM1 MET 23 HB2 0.27 0.02 -0.01 -0.04 2.15 2.39 3h1cM1 MET 23 HB3 0.09 -0.00 -0.06 -0.04 2.03 2.01 3h1cM1 MET 23 HG2 -0.08 0.03 -0.06 -0.04 2.63 2.48 3h1cM1 MET 23 HG3 0.00 -0.04 -0.08 -0.04 2.56 2.41 3h1cM1 MET 23 HE3 -0.09 0.01 -0.07 -0.04 2.10 1.91 3h1cM1 ALA 24 H 0.11 0.08 0.09 -0.55 8.40 8.14 3h1cM1 ALA 24 HA 0.10 -0.07 0.35 -0.75 4.34 3.97 3h1cM1 ALA 24 HB3 0.19 0.02 -0.01 -0.04 1.41 1.56 3h1cM1 ARG 25 H 0.05 0.06 0.00 -0.55 8.46 8.02 3h1cM1 ARG 25 HA 0.05 0.23 0.30 -0.75 4.34 4.16 3h1cM1 ARG 25 HB2 0.04 -0.00 0.03 -0.04 1.90 1.92 3h1cM1 ARG 25 HB3 0.03 -0.05 -0.00 -0.04 1.80 1.73 3h1cM1 ARG 25 HG2 0.03 0.03 0.02 -0.04 1.67 1.71 3h1cM1 ARG 25 HG3 0.03 0.11 -0.02 -0.04 1.67 1.76 3h1cM1 ARG 25 HD2 0.02 -0.06 -0.01 -0.04 3.22 3.13 3h1cM1 ARG 25 HD3 0.02 0.04 0.03 -0.04 3.22 3.27 3h1cM1 GLN 26 H 0.05 -0.12 -0.12 -0.55 8.47 7.73 3h1cM1 GLN 26 HA 0.04 0.13 0.31 -0.75 4.36 4.08 3h1cM1 GLN 26 HB2 0.04 -0.06 -0.02 -0.04 2.15 2.07 3h1cM1 GLN 26 HB3 0.03 0.02 0.03 -0.04 2.02 2.06 3h1cM1 GLN 26 HG2 0.03 0.00 -0.02 -0.04 2.40 2.38 3h1cM1 GLN 26 HG3 0.03 -0.06 0.03 -0.04 2.39 2.35 3h1cM1 GLN 26 HE21 0.02 -0.01 -0.00 -0.04 6.97 6.93 3h1cM1 GLN 26 HE22 0.02 0.07 0.01 -0.04 7.69 7.75 3h1cM1 ALA 27 H 0.05 -0.09 -0.40 -0.55 8.40 7.42 3h1cM1 ALA 27 HA 0.05 -0.01 0.46 -0.75 4.34 4.08 3h1cM1 ALA 27 HB3 0.02 0.03 -0.02 -0.04 1.41 1.40 3h1cM1 THR 28 H 0.06 0.04 0.34 -0.55 8.28 8.17 3h1cM1 THR 28 HA 0.11 0.12 0.48 -0.75 4.39 4.36 3h1cM1 THR 28 HB 0.05 0.06 0.11 -0.04 4.32 4.50 3h1cM1 THR 28 HG23 0.24 0.02 0.08 -0.04 1.22 1.52 3h1cM1 ALA 29 H -0.00 0.28 0.13 -0.55 8.40 8.26 3h1cM1 ALA 29 HA -0.00 0.19 0.49 -0.75 4.34 4.26 3h1cM1 ALA 29 HB3 -0.05 -0.00 -0.05 -0.04 1.41 1.26 3h1cM1 ALA 30 H -0.02 0.28 0.15 -0.55 8.40 8.26 3h1cM1 ALA 30 HA -0.19 0.21 0.89 -0.75 4.34 4.50 3h1cM1 ALA 30 HB3 -0.06 0.03 0.00 -0.04 1.41 1.35 3h1cM1 VAL 31 H -0.18 0.53 0.32 -0.55 8.24 8.36 3h1cM1 VAL 31 HA 0.02 0.34 1.16 -0.75 4.13 4.89 3h1cM1 VAL 31 HB -0.05 -0.03 0.12 -0.04 2.12 2.12 3h1cM1 VAL 31 HG13 0.01 -0.00 -0.16 -0.04 0.97 0.77 3h1cM1 VAL 31 HG23 -0.05 -0.00 -0.29 -0.04 0.95 0.57 3h1cM1 MET 32 H 0.09 0.92 0.40 -0.55 8.47 9.34 3h1cM1 MET 32 HA 0.20 0.07 0.86 -0.75 4.52 4.90 3h1cM1 MET 32 HB2 0.21 -0.01 0.07 -0.04 2.15 2.38 3h1cM1 MET 32 HB3 0.09 -0.05 0.26 -0.04 2.03 2.29 3h1cM1 MET 32 HG2 0.06 -0.00 -0.06 -0.04 2.63 2.58 3h1cM1 MET 32 HG3 0.08 0.02 -0.25 -0.04 2.56 2.37 3h1cM1 MET 32 HE3 0.01 -0.00 -0.11 -0.04 2.10 1.96 3h1cM1 VAL 33 H 0.07 0.37 0.24 -0.55 8.24 8.37 3h1cM1 VAL 33 HA 0.03 0.42 1.05 -0.75 4.13 4.87 3h1cM1 VAL 33 HB 0.03 -0.12 0.19 -0.04 2.12 2.17 3h1cM1 VAL 33 HG13 0.01 -0.01 -0.07 -0.04 0.97 0.87 3h1cM1 VAL 33 HG23 0.01 0.04 0.08 -0.04 0.95 1.05 3h1cM1 SER 34 H -0.00 0.63 0.35 -0.55 8.46 8.90 3h1cM1 SER 34 HA 0.01 0.10 0.97 -0.75 4.49 4.81 3h1cM1 SER 34 HB2 0.01 0.21 -0.07 -0.04 3.95 4.06 3h1cM1 SER 34 HB3 0.02 -0.08 -0.14 -0.04 3.93 3.69 3h1cM1 MET 35 H -0.02 0.20 0.05 -0.55 8.47 8.16 3h1cM1 MET 35 HA -0.05 0.52 1.22 -0.75 4.52 5.46 3h1cM1 MET 35 HB2 -0.04 0.02 -0.07 -0.04 2.15 2.01 3h1cM1 MET 35 HB3 -0.04 -0.10 0.06 -0.04 2.03 1.91 3h1cM1 MET 35 HG2 -0.16 -0.09 -0.33 -0.04 2.63 2.01 3h1cM1 MET 35 HG3 -0.00 0.02 -0.21 -0.04 2.56 2.33 3h1cM1 MET 35 HE3 -0.41 0.02 -0.06 -0.04 2.10 1.61 3h1cM1 ASP 36 H 0.00 0.59 0.26 -0.55 8.40 8.70 3h1cM1 ASP 36 HA 0.06 -0.00 0.48 -0.75 4.63 4.41 3h1cM1 ASP 36 HB2 0.06 -0.04 -0.09 -0.04 2.71 2.60 3h1cM1 ASP 36 HB3 -0.04 0.01 0.34 -0.04 2.70 2.96 3h1cM1 ASP 37 H -0.01 0.33 0.36 -0.55 8.40 8.53 3h1cM1 ASP 37 HA 0.01 0.17 0.58 -0.75 4.63 4.63 3h1cM1 ASP 37 HB2 0.01 -0.15 0.01 -0.04 2.71 2.54 3h1cM1 ASP 37 HB3 0.01 0.04 -0.08 -0.04 2.70 2.63 3h1cM1 THR 38 H -0.01 0.00 0.24 -0.55 8.28 7.96 3h1cM1 THR 38 HA 0.01 0.12 0.16 -0.75 4.39 3.92 3h1cM1 THR 38 HB -0.01 -0.04 0.04 -0.04 4.32 4.26 3h1cM1 THR 38 HG23 0.01 -0.06 0.31 -0.04 1.22 1.44 3h1cM1 ALA 39 H 0.02 0.59 0.39 -0.55 8.40 8.86 3h1cM1 ALA 39 HA 0.03 0.23 0.78 -0.75 4.34 4.63 3h1cM1 ALA 39 HB3 0.04 0.03 -0.07 -0.04 1.41 1.36 3h1cM1 VAL 40 H 0.06 0.66 0.29 -0.55 8.24 8.70 3h1cM1 VAL 40 HA 0.07 0.11 1.11 -0.75 4.13 4.67 3h1cM1 VAL 40 HB 0.07 0.04 0.00 -0.04 2.12 2.19 3h1cM1 VAL 40 HG13 0.11 -0.01 -0.32 -0.04 0.97 0.70 3h1cM1 VAL 40 HG23 0.09 -0.01 -0.15 -0.04 0.95 0.84 3h1cM1 PHE 41 H 0.20 0.56 0.34 -0.55 8.34 8.88 3h1cM1 PHE 41 HA 0.01 0.14 0.80 -0.75 4.62 4.82 3h1cM1 PHE 41 HB2 0.02 -0.04 0.09 -0.04 3.15 3.18 3h1cM1 PHE 41 HB3 0.01 -0.01 0.22 -0.04 3.06 3.24 3h1cM1 PHE 41 HD2 0.01 -0.03 -0.07 -0.04 7.28 7.15 3h1cM1 PHE 41 HE2 0.01 -0.01 -0.17 -0.04 7.38 7.17 3h1cM1 PHE 41 HZ 0.01 -0.04 -0.27 -0.04 7.32 6.98 3h1cM1 VAL 42 H -0.24 0.51 0.41 -0.55 8.24 8.38 3h1cM1 VAL 42 HA -0.17 0.23 1.09 -0.75 4.13 4.52 3h1cM1 VAL 42 HB -0.12 0.06 0.06 -0.04 2.12 2.08 3h1cM1 VAL 42 HG13 -0.07 -0.01 -0.34 -0.04 0.97 0.50 3h1cM1 VAL 42 HG23 -0.01 0.01 -0.11 -0.04 0.95 0.80 3h1cM1 THR 43 H -0.19 0.82 0.42 -0.55 8.28 8.79 3h1cM1 THR 43 HA -0.23 0.28 1.16 -0.75 4.39 4.85 3h1cM1 THR 43 HB -0.09 0.01 0.03 -0.04 4.32 4.23 3h1cM1 THR 43 HG23 -0.41 -0.01 -0.14 -0.04 1.22 0.62 3h1cM1 VAL 44 H -0.08 0.77 0.36 -0.55 8.24 8.74 3h1cM1 VAL 44 HA -0.05 0.32 1.13 -0.75 4.13 4.78 3h1cM1 VAL 44 HB -0.09 0.04 -0.00 -0.04 2.12 2.03 3h1cM1 VAL 44 HG13 -0.07 -0.01 -0.25 -0.04 0.97 0.60 3h1cM1 VAL 44 HG23 -0.10 -0.02 -0.24 -0.04 0.95 0.55 3h1cM1 VAL 45 H -0.01 0.57 0.32 -0.55 8.24 8.57 3h1cM1 VAL 45 HA 0.05 0.04 1.06 -0.75 4.13 4.53 3h1cM1 VAL 45 HB 0.02 -0.02 0.18 -0.04 2.12 2.25 3h1cM1 VAL 45 HG13 0.06 0.01 -0.13 -0.04 0.97 0.87 3h1cM1 VAL 45 HG23 0.02 -0.01 -0.09 -0.04 0.95 0.83 3h1cM1 GLY 46 H 0.15 0.22 0.15 -0.55 8.43 8.40 3h1cM1 GLY 46 HA2 0.10 0.21 0.99 -0.51 4.01 4.80 3h1cM1 GLY 46 HA3 0.09 0.06 0.26 -0.51 4.01 3.92 3h1cM1 GLN 47 H 0.17 0.54 0.20 -0.55 8.47 8.84 3h1cM1 GLN 47 HA 0.16 0.01 0.57 -0.75 4.36 4.35 3h1cM1 GLN 47 HB2 0.08 0.01 0.14 -0.04 2.15 2.34 3h1cM1 GLN 47 HB3 0.07 0.02 0.03 -0.04 2.02 2.10 3h1cM1 GLN 47 HG2 0.06 -0.03 0.01 -0.04 2.40 2.39 3h1cM1 GLN 47 HG3 0.06 0.06 -0.00 -0.04 2.39 2.47 3h1cM1 GLN 47 HE21 -0.00 -0.04 0.00 -0.04 6.97 6.90 3h1cM1 GLN 47 HE22 0.02 -0.01 -0.02 -0.04 7.69 7.64 3h1cM1 LYS 48 H 0.08 0.08 0.19 -0.55 8.42 8.21 3h1cM1 LYS 48 HA -0.19 0.13 0.34 -0.75 4.32 3.84 3h1cM1 LYS 48 HB2 -0.11 0.04 0.16 -0.04 1.87 1.92 3h1cM1 LYS 48 HB3 -0.05 -0.08 0.15 -0.04 1.79 1.77 3h1cM1 LYS 48 HG2 -0.13 -0.03 0.00 -0.04 1.46 1.26 3h1cM1 LYS 48 HG3 -0.15 0.00 -0.08 -0.04 1.46 1.19 3h1cM1 LYS 48 HD2 -0.83 0.04 0.03 -0.04 1.69 0.89 3h1cM1 LYS 48 HD3 -0.38 0.02 0.03 -0.04 1.68 1.31 3h1cM1 LYS 48 HE2 -0.21 -0.03 0.01 -0.04 2.99 2.72 3h1cM1 LYS 48 HE3 -0.27 -0.01 0.01 -0.04 2.99 2.68 3h1cM1 LYS 49 H 0.04 0.08 0.03 -0.55 8.42 8.01 3h1cM1 LYS 49 HA 0.07 0.21 0.93 -0.75 4.32 4.77 3h1cM1 LYS 49 HB2 0.02 0.08 0.03 -0.04 1.87 1.96 3h1cM1 LYS 49 HB3 0.01 0.04 -0.05 -0.04 1.79 1.75 3h1cM1 LYS 49 HG2 0.00 -0.08 0.05 -0.04 1.46 1.39 3h1cM1 LYS 49 HG3 0.01 -0.00 -0.06 -0.04 1.46 1.37 3h1cM1 LYS 49 HD2 0.00 0.03 -0.03 -0.04 1.69 1.65 3h1cM1 LYS 49 HD3 -0.01 0.02 -0.02 -0.04 1.68 1.63 3h1cM1 LYS 49 HE2 -0.00 -0.02 0.00 -0.04 2.99 2.93 3h1cM1 LYS 49 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.91 3h1cM1 ALA 50 H 0.03 0.16 0.09 -0.55 8.40 8.14 3h1cM1 ALA 50 HA -0.01 0.11 0.73 -0.75 4.34 4.42 3h1cM1 ALA 50 HB3 -0.04 0.01 -0.07 -0.04 1.41 1.27 3h1cM1 LYS 51 H -0.03 0.11 0.11 -0.55 8.42 8.06 3h1cM1 LYS 51 HA -0.00 0.13 0.50 -0.75 4.32 4.20 3h1cM1 LYS 51 HB2 -0.02 0.03 0.12 -0.04 1.87 1.96 3h1cM1 LYS 51 HB3 -0.02 0.00 0.00 -0.04 1.79 1.73 3h1cM1 PRO 52 HA 0.01 0.12 0.45 -0.51 4.44 4.51 3h1cM1 PRO 52 HB2 0.01 0.01 0.01 -0.04 2.28 2.27 3h1cM1 PRO 52 HB3 0.01 0.06 0.14 -0.04 2.02 2.18 3h1cM1 PRO 52 HG2 0.01 -0.02 0.08 -0.04 2.03 2.06 3h1cM1 PRO 52 HG3 0.00 0.06 0.09 -0.04 2.03 2.15 3h1cM1 PRO 52 HD2 0.00 0.04 0.25 -0.04 3.68 3.93 3h1cM1 PRO 52 HD3 0.00 0.23 0.22 -0.04 3.65 4.07 3h1cM1 GLY 53 H 0.01 0.07 -0.37 -0.55 8.43 7.59 3h1cM1 GLY 53 HA2 0.02 0.14 0.72 -0.51 4.01 4.38 3h1cM1 GLY 53 HA3 0.02 -0.02 0.33 -0.51 4.01 3.83 3h1cM1 GLN 54 H 0.01 0.38 -0.38 -0.55 8.47 7.94 3h1cM1 GLN 54 HA 0.04 0.09 0.89 -0.75 4.36 4.63 3h1cM1 GLN 54 HB2 -0.04 0.25 0.02 -0.04 2.15 2.34 3h1cM1 GLN 54 HB3 -0.10 0.10 -0.04 -0.04 2.02 1.94 3h1cM1 GLN 54 HG2 -0.03 -0.05 -0.25 -0.04 2.40 2.04 3h1cM1 GLN 54 HG3 -0.09 -0.08 0.02 -0.04 2.39 2.19 3h1cM1 GLN 54 HE21 -1.00 -0.02 0.07 -0.04 6.97 5.98 3h1cM1 GLN 54 HE22 -0.36 0.18 0.08 -0.04 7.69 7.56 3h1cM1 ASP 55 H 0.09 -0.03 0.18 -0.55 8.40 8.10 3h1cM1 ASP 55 HA 0.06 0.20 0.81 -0.75 4.63 4.95 3h1cM1 ASP 55 HB2 0.08 0.03 0.01 -0.04 2.71 2.79 3h1cM1 ASP 55 HB3 0.08 -0.03 -0.15 -0.04 2.70 2.56 3h1cM1 PHE 56 H 0.29 -0.08 0.18 -0.55 8.34 8.17 3h1cM1 PHE 56 HA 0.05 0.20 0.75 -0.75 4.62 4.87 3h1cM1 PHE 56 HB2 0.03 0.06 0.07 -0.04 3.15 3.26 3h1cM1 PHE 56 HB3 0.02 -0.05 0.04 -0.04 3.06 3.02 3h1cM1 PHE 56 HD2 -0.01 0.02 -0.09 -0.04 7.28 7.17 3h1cM1 PHE 56 HE2 -0.04 -0.01 -0.05 -0.04 7.38 7.24 3h1cM1 PHE 56 HZ -0.03 -0.02 -0.03 -0.04 7.32 7.19 3h1cM1 PHE 57 H 0.27 0.12 0.13 -0.55 8.34 8.30 3h1cM1 PHE 57 HA -0.22 0.23 0.65 -0.75 4.62 4.52 3h1cM1 PHE 57 HB2 -0.03 0.23 0.12 -0.04 3.15 3.44 3h1cM1 PHE 57 HB3 0.01 -0.11 0.17 -0.04 3.06 3.09 3h1cM1 PHE 57 HD2 -0.09 -0.02 -0.12 -0.04 7.28 7.01 3h1cM1 PHE 57 HE2 -0.20 0.03 -0.08 -0.04 7.38 7.08 3h1cM1 PHE 57 HZ -1.54 -0.05 -0.09 -0.04 7.32 5.60 3h1cM1 PRO 58 HA -0.24 0.04 0.65 -0.51 4.44 4.37 3h1cM1 PRO 58 HB2 -0.27 -0.04 0.07 -0.04 2.28 2.00 3h1cM1 PRO 58 HB3 -0.35 -0.03 0.03 -0.04 2.02 1.63 3h1cM1 PRO 58 HG2 -0.30 -0.08 0.08 -0.04 2.03 1.69 3h1cM1 PRO 58 HG3 -0.53 0.02 0.09 -0.04 2.03 1.57 3h1cM1 PRO 58 HD2 -0.38 0.17 -0.09 -0.04 3.68 3.34 3h1cM1 PRO 58 HD3 -0.36 0.36 0.34 -0.04 3.65 3.95 3h1cM1 LEU 59 H -0.34 0.22 0.15 -0.55 8.37 7.86 3h1cM1 LEU 59 HA -0.40 0.30 1.00 -0.75 4.35 4.49 3h1cM1 LEU 59 HB2 -0.82 0.08 -0.10 -0.04 1.64 0.75 3h1cM1 LEU 59 HB3 -0.21 -0.03 0.14 -0.04 1.64 1.49 3h1cM1 LEU 59 HG -0.04 -0.10 -0.26 -0.04 1.64 1.19 3h1cM1 LEU 59 HD13 -0.04 0.04 -0.09 -0.04 0.93 0.80 3h1cM1 LEU 59 HD23 0.20 0.01 -0.06 -0.04 0.89 0.99 3h1cM1 THR 60 H -0.13 0.48 0.21 -0.55 8.28 8.29 3h1cM1 THR 60 HA -0.04 0.14 1.00 -0.75 4.39 4.74 3h1cM1 THR 60 HB -0.04 0.01 -0.05 -0.04 4.32 4.19 3h1cM1 THR 60 HG23 -0.05 0.01 0.04 -0.04 1.22 1.17 3h1cM1 VAL 61 H -0.01 0.21 0.14 -0.55 8.24 8.04 3h1cM1 VAL 61 HA 0.01 0.23 1.07 -0.75 4.13 4.69 3h1cM1 VAL 61 HB 0.02 0.00 0.17 -0.04 2.12 2.26 3h1cM1 VAL 61 HG13 0.03 -0.00 -0.12 -0.04 0.97 0.84 3h1cM1 VAL 61 HG23 0.03 0.00 -0.17 -0.04 0.95 0.76 3h1cM1 ASN 62 H 0.02 0.53 0.24 -0.55 8.53 8.78 3h1cM1 ASN 62 HA 0.04 0.12 0.99 -0.75 4.76 5.16 3h1cM1 ASN 62 HB2 0.01 -0.00 0.13 -0.04 2.88 2.98 3h1cM1 ASN 62 HB3 0.01 -0.01 -0.03 -0.04 2.79 2.72 3h1cM1 ASN 62 HD21 0.00 0.01 -0.10 -0.04 7.03 6.90 3h1cM1 ASN 62 HD22 0.00 0.00 -0.07 -0.04 7.74 7.63 3h1cM1 TYR 63 H 0.13 0.21 0.18 -0.55 8.29 8.26 3h1cM1 TYR 63 HA -0.01 0.37 1.06 -0.75 4.56 5.23 3h1cM1 TYR 63 HB2 -0.01 0.04 -0.09 -0.04 3.06 2.96 3h1cM1 TYR 63 HB3 -0.01 0.03 0.13 -0.04 2.98 3.10 3h1cM1 TYR 63 HD2 -0.01 0.06 -0.08 -0.04 7.15 7.09 3h1cM1 TYR 63 HE2 -0.01 -0.04 -0.14 -0.04 6.85 6.63 3h1cM1 GLN 64 H -0.44 0.61 0.31 -0.55 8.47 8.40 3h1cM1 GLN 64 HA -0.20 0.03 0.83 -0.75 4.36 4.27 3h1cM1 GLN 64 HB2 -0.11 0.07 0.02 -0.04 2.15 2.08 3h1cM1 GLN 64 HB3 -0.11 -0.03 -0.07 -0.04 2.02 1.77 3h1cM1 GLN 64 HG2 -0.04 -0.04 -0.03 -0.04 2.40 2.25 3h1cM1 GLN 64 HG3 -0.04 -0.01 -0.59 -0.04 2.39 1.71 3h1cM1 GLN 64 HE21 -0.01 0.05 -0.07 -0.04 6.97 6.91 3h1cM1 GLN 64 HE22 -0.01 -0.02 -0.07 -0.04 7.69 7.55 3h1cM1 GLU 65 H -0.18 0.13 0.13 -0.55 8.60 8.13 3h1cM1 GLU 65 HA -0.25 0.08 0.95 -0.75 4.29 4.32 3h1cM1 GLU 65 HB2 -0.07 -0.05 0.17 -0.04 2.09 2.10 3h1cM1 GLU 65 HB3 -0.09 0.11 0.00 -0.04 1.99 1.97 3h1cM1 GLU 65 HG2 -0.09 0.06 -0.04 -0.04 2.34 2.24 3h1cM1 GLU 65 HG3 -0.15 -0.05 -0.10 -0.04 2.34 2.00 3h1cM1 ARG 66 H -0.24 0.32 0.24 -0.55 8.46 8.24 3h1cM1 ARG 66 HA -0.23 0.03 0.62 -0.75 4.34 4.01 3h1cM1 ARG 66 HB2 -0.64 0.37 0.25 -0.04 1.90 1.84 3h1cM1 ARG 66 HB3 -1.21 -0.10 0.07 -0.04 1.80 0.52 3h1cM1 ARG 66 HG2 -0.16 -0.05 -0.02 -0.04 1.67 1.39 3h1cM1 ARG 66 HG3 -0.10 0.07 0.02 -0.04 1.67 1.62 3h1cM1 ARG 66 HD2 0.07 0.02 0.04 -0.04 3.22 3.30 3h1cM1 ARG 66 HD3 -0.08 -0.07 0.02 -0.04 3.22 3.04 3h1cM1 THR 67 H -0.18 0.15 0.20 -0.55 8.28 7.91 3h1cM1 THR 67 HA -0.09 0.09 0.30 -0.75 4.39 3.94 3h1cM1 THR 67 HB -0.01 0.30 0.11 -0.04 4.32 4.69 3h1cM1 THR 67 HG23 -0.03 -0.02 0.03 -0.04 1.22 1.16 3h1cM1 TYR 68 H -0.40 0.07 -0.17 -0.55 8.29 7.24 3h1cM1 TYR 68 HA -0.00 0.06 0.53 -0.75 4.56 4.39 3h1cM1 TYR 68 HB2 -0.01 0.07 0.11 -0.04 3.06 3.20 3h1cM1 TYR 68 HB3 -0.01 0.01 0.07 -0.04 2.98 3.01 3h1cM1 TYR 68 HD2 -0.01 0.08 -0.12 -0.04 7.15 7.06 3h1cM1 TYR 68 HE2 -0.02 0.01 0.04 -0.04 6.85 6.83 3h1cM1 ALA 69 H -0.22 0.24 -0.58 -0.55 8.40 7.29 3h1cM1 ALA 69 HA 0.05 0.31 0.33 -0.75 4.34 4.27 3h1cM1 ALA 69 HB3 -0.09 -0.03 -0.28 -0.04 1.41 0.98 3h1cM1 ALA 70 H -0.01 0.15 -0.15 -0.55 8.40 7.85 3h1cM1 ALA 70 HA 0.01 0.19 0.82 -0.75 4.34 4.61 3h1cM1 ALA 70 HB3 0.00 0.01 0.05 -0.04 1.41 1.43 3h1cM1 GLY 71 H 0.03 0.03 -0.02 -0.55 8.43 7.93 3h1cM1 GLY 71 HA2 0.05 0.02 0.25 -0.51 4.01 3.82 3h1cM1 GLY 71 HA3 0.03 0.18 0.80 -0.51 4.01 4.51 3h1cM1 ARG 72 H 0.03 0.26 0.16 -0.55 8.46 8.36 3h1cM1 ARG 72 HA 0.02 0.15 0.81 -0.75 4.34 4.56 3h1cM1 ARG 72 HB2 0.01 -0.04 -0.06 -0.04 1.90 1.77 3h1cM1 ARG 72 HB3 0.01 0.06 -0.14 -0.04 1.80 1.70 3h1cM1 ARG 72 HG2 0.01 0.03 -0.01 -0.04 1.67 1.65 3h1cM1 ARG 72 HG3 0.01 0.05 -0.47 -0.04 1.67 1.22 3h1cM1 ARG 72 HD2 0.01 -0.02 -0.10 -0.04 3.22 3.06 3h1cM1 ARG 72 HD3 0.01 -0.01 -0.08 -0.04 3.22 3.10 3h1cM1 ILE 73 H 0.02 0.16 0.08 -0.55 8.25 7.96 3h1cM1 ILE 73 HA 0.03 0.08 0.59 -0.75 4.18 4.12 3h1cM1 ILE 73 HB 0.01 -0.01 0.11 -0.04 1.89 1.96 3h1cM1 ILE 73 HG12 0.02 0.02 -0.00 -0.04 1.49 1.48 3h1cM1 ILE 73 HG13 0.02 -0.08 -0.04 -0.04 1.21 1.07 3h1cM1 ILE 73 HG23 0.00 0.05 -0.05 -0.04 0.93 0.89 3h1cM1 ILE 73 HD13 0.00 0.01 0.00 -0.04 0.88 0.85 3h1cM1 PRO 74 HA 0.02 -0.00 0.29 -0.51 4.44 4.23 3h1cM1 PRO 74 HB2 0.04 -0.06 -0.10 -0.04 2.28 2.11 3h1cM1 PRO 74 HB3 0.03 -0.04 -0.06 -0.04 2.02 1.92 3h1cM1 PRO 74 HG2 0.04 0.22 -0.32 -0.04 2.03 1.92 3h1cM1 PRO 74 HG3 0.02 -0.06 -0.01 -0.04 2.03 1.93 3h1cM1 PRO 74 HD2 0.03 0.18 0.18 -0.04 3.68 4.03 3h1cM1 PRO 74 HD3 0.03 0.17 0.24 -0.04 3.65 4.05 3h1cM1 GLY 75 H 0.02 0.08 0.13 -0.55 8.43 8.12 3h1cM1 GLY 75 HA2 0.02 0.20 0.53 -0.51 4.01 4.26 3h1cM1 GLY 75 HA3 0.03 -0.01 0.35 -0.51 4.01 3.87 3h1cM1 SER 76 H 0.05 -0.08 -0.36 -0.55 8.46 7.53 3h1cM1 SER 76 HA 0.10 0.15 0.53 -0.75 4.49 4.52 3h1cM1 SER 76 HB2 0.10 -0.08 0.02 -0.04 3.95 3.95 3h1cM1 SER 76 HB3 0.16 -0.07 0.13 -0.04 3.93 4.11 3h1cM1 PHE 77 H 0.26 0.12 0.16 -0.55 8.34 8.33 3h1cM1 PHE 77 HA -0.04 0.20 0.45 -0.75 4.62 4.47 3h1cM1 PHE 77 HB2 -0.02 0.02 0.13 -0.04 3.15 3.25 3h1cM1 PHE 77 HB3 -0.02 -0.05 0.11 -0.04 3.06 3.05 3h1cM1 PHE 77 HD2 -0.44 -0.00 -0.07 -0.04 7.28 6.72 3h1cM1 PHE 77 HE2 -0.22 0.00 -0.02 -0.04 7.38 7.10 3h1cM1 PHE 77 HZ -0.12 -0.00 -0.01 -0.04 7.32 7.15 3h1cM1 PHE 78 H 0.38 0.00 -0.06 -0.55 8.34 8.11 3h1cM1 PHE 78 HA -0.04 0.20 0.55 -0.75 4.62 4.58 3h1cM1 PHE 78 HB2 0.07 -0.06 0.03 -0.04 3.15 3.14 3h1cM1 PHE 78 HB3 0.03 0.05 0.02 -0.04 3.06 3.12 3h1cM1 PHE 78 HD2 0.11 -0.03 0.01 -0.04 7.28 7.33 3h1cM1 PHE 78 HE2 0.09 0.01 -0.02 -0.04 7.38 7.41 3h1cM1 PHE 78 HZ 0.09 0.01 -0.02 -0.04 7.32 7.36 3h1cM1 ARG 79 H 0.08 0.06 -0.69 -0.55 8.46 7.36 3h1cM1 ARG 79 HA 0.04 0.03 0.14 -0.75 4.34 3.80 3h1cM1 ARG 79 HB2 0.01 0.11 0.08 -0.04 1.90 2.05 3h1cM1 ARG 79 HB3 0.01 -0.06 0.13 -0.04 1.80 1.84 3h1cM1 ARG 79 HG2 -0.10 0.05 -0.45 -0.04 1.67 1.13 3h1cM1 ARG 79 HG3 -0.07 -0.05 -0.12 -0.04 1.67 1.40 3h1cM1 ARG 79 HD2 -0.03 -0.08 -0.05 -0.04 3.22 3.02 3h1cM1 ARG 79 HD3 -0.02 0.20 -0.04 -0.04 3.22 3.32 3h1cM1 ARG 80 H 0.11 0.05 -0.19 -0.55 8.46 7.88 3h1cM1 ARG 80 HA 0.05 0.15 0.84 -0.75 4.34 4.62 3h1cM1 ARG 80 HB2 0.08 0.18 -0.28 -0.04 1.90 1.83 3h1cM1 ARG 80 HB3 0.07 -0.08 -0.14 -0.04 1.80 1.61 3h1cM1 ARG 80 HG2 0.02 0.26 -0.01 -0.04 1.67 1.90 3h1cM1 ARG 80 HG3 0.04 -0.05 0.09 -0.04 1.67 1.71 3h1cM1 ARG 80 HD2 -0.01 -0.03 -0.06 -0.04 3.22 3.07 3h1cM1 ARG 80 HD3 0.01 -0.01 -0.00 -0.04 3.22 3.17 3h1cM1 GLU 81 H 0.02 0.15 0.15 -0.55 8.60 8.37 3h1cM1 GLU 81 HA 0.01 0.13 0.84 -0.75 4.29 4.52 3h1cM1 GLU 81 HB2 -0.01 0.05 0.02 -0.04 2.09 2.11 3h1cM1 GLU 81 HB3 -0.02 -0.05 0.13 -0.04 1.99 2.01 3h1cM1 GLU 81 HG2 -0.04 0.05 0.09 -0.04 2.34 2.41 3h1cM1 GLU 81 HG3 0.00 0.01 -0.13 -0.04 2.34 2.18 3h1cM1 GLY 82 H -0.01 -0.02 0.13 -0.55 8.43 8.00 3h1cM1 GLY 82 HA2 -0.01 -0.00 0.29 -0.51 4.01 3.78 3h1cM1 GLY 82 HA3 -0.01 0.25 0.82 -0.51 4.01 4.55 3h1cM1 ARG 83 H 0.00 -0.01 0.07 -0.55 8.46 7.98 3h1cM1 ARG 83 HA 0.00 0.22 0.11 -0.75 4.34 3.92 3h1cM1 ARG 83 HB2 0.00 0.09 0.13 -0.04 1.90 2.08 3h1cM1 ARG 83 HB3 0.02 -0.08 0.17 -0.04 1.80 1.87 3h1cM1 ARG 83 HG2 0.02 0.04 -0.21 -0.04 1.67 1.48 3h1cM1 ARG 83 HG3 0.01 0.05 0.02 -0.04 1.67 1.70 3h1cM1 ARG 83 HD2 0.03 -0.05 0.00 -0.04 3.22 3.15 3h1cM1 ARG 83 HD3 0.02 0.02 -0.02 -0.04 3.22 3.20 3h1cM1 PRO 84 HA 0.01 -0.09 0.25 -0.51 4.44 4.10 3h1cM1 PRO 84 HB2 0.03 0.06 0.02 -0.04 2.28 2.35 3h1cM1 PRO 84 HB3 0.02 0.04 0.10 -0.04 2.02 2.14 3h1cM1 PRO 84 HG2 0.02 0.05 0.07 -0.04 2.03 2.13 3h1cM1 PRO 84 HG3 0.01 0.06 0.05 -0.04 2.03 2.11 3h1cM1 PRO 84 HD2 0.01 0.14 0.03 -0.04 3.68 3.82 3h1cM1 PRO 84 HD3 0.00 0.15 0.01 -0.04 3.65 3.78 3h1cM1 SER 85 H 0.03 -0.00 0.24 -0.55 8.46 8.17 3h1cM1 SER 85 HA 0.03 0.23 0.54 -0.75 4.49 4.54 3h1cM1 SER 85 HB2 0.03 0.15 0.21 -0.04 3.95 4.30 3h1cM1 SER 85 HB3 0.04 -0.21 0.19 -0.04 3.93 3.91 3h1cM1 GLU 86 H 0.04 0.21 0.21 -0.55 8.60 8.51 3h1cM1 GLU 86 HA 0.04 0.16 0.47 -0.75 4.29 4.21 3h1cM1 GLU 86 HB2 0.05 0.08 0.16 -0.04 2.09 2.34 3h1cM1 GLU 86 HB3 0.04 -0.03 0.12 -0.04 1.99 2.07 3h1cM1 GLU 86 HG2 0.03 -0.02 -0.10 -0.04 2.34 2.21 3h1cM1 GLU 86 HG3 0.04 0.02 0.09 -0.04 2.34 2.46 3h1cM1 GLY 87 H 0.04 0.06 -0.10 -0.55 8.43 7.88 3h1cM1 GLY 87 HA2 0.03 0.18 0.58 -0.51 4.01 4.28 3h1cM1 GLY 87 HA3 0.04 0.06 0.27 -0.51 4.01 3.87 3h1cM1 GLU 88 H 0.07 0.03 -0.21 -0.55 8.60 7.94 3h1cM1 GLU 88 HA 0.25 0.03 0.34 -0.75 4.29 4.16 3h1cM1 GLU 88 HB2 0.07 0.05 0.16 -0.04 2.09 2.33 3h1cM1 GLU 88 HB3 0.14 0.23 0.07 -0.04 1.99 2.39 3h1cM1 GLU 88 HG2 0.09 0.01 0.04 -0.04 2.34 2.44 3h1cM1 GLU 88 HG3 0.07 -0.05 0.10 -0.04 2.34 2.41 3h1cM1 THR 89 H 0.05 0.38 -0.37 -0.55 8.28 7.79 3h1cM1 THR 89 HA 0.04 0.08 0.51 -0.75 4.39 4.28 3h1cM1 THR 89 HB 0.02 0.07 -0.01 -0.04 4.32 4.36 3h1cM1 THR 89 HG23 0.01 -0.00 0.07 -0.04 1.22 1.26 3h1cM1 LEU 90 H 0.01 0.28 -0.37 -0.55 8.37 7.74 3h1cM1 LEU 90 HA -0.03 0.08 0.49 -0.75 4.35 4.13 3h1cM1 LEU 90 HB2 -0.02 0.16 0.18 -0.04 1.64 1.92 3h1cM1 LEU 90 HB3 -0.03 -0.01 0.01 -0.04 1.64 1.57 3h1cM1 LEU 90 HG 0.00 0.13 0.08 -0.04 1.64 1.82 3h1cM1 LEU 90 HD13 0.00 -0.03 0.04 -0.04 0.93 0.91 3h1cM1 LEU 90 HD23 -0.02 -0.01 0.00 -0.04 0.89 0.83 3h1cM1 ILE 91 H -0.09 0.33 -0.07 -0.55 8.25 7.88 3h1cM1 ILE 91 HA -0.18 0.08 0.49 -0.75 4.18 3.82 3h1cM1 ILE 91 HB -0.67 0.06 0.04 -0.04 1.89 1.28 3h1cM1 ILE 91 HG12 -0.25 -0.08 -0.03 -0.04 1.49 1.09 3h1cM1 ILE 91 HG13 -0.16 0.02 -0.02 -0.04 1.21 1.01 3h1cM1 ILE 91 HG23 -0.88 0.02 -0.12 -0.04 0.93 -0.10 3h1cM1 ILE 91 HD13 -0.01 0.05 -0.03 -0.04 0.88 0.85 3h1cM1 ALA 92 H -0.07 0.33 -0.31 -0.55 8.40 7.80 3h1cM1 ALA 92 HA -0.02 0.04 0.43 -0.75 4.34 4.03 3h1cM1 ALA 92 HB3 0.05 0.08 0.16 -0.04 1.41 1.67 3h1cM1 ARG 93 H -0.04 0.32 -0.33 -0.55 8.46 7.86 3h1cM1 ARG 93 HA -0.02 0.06 0.69 -0.75 4.34 4.31 3h1cM1 ARG 93 HB2 -0.04 0.13 0.22 -0.04 1.90 2.17 3h1cM1 ARG 93 HB3 -0.03 -0.03 0.03 -0.04 1.80 1.74 3h1cM1 ARG 93 HG2 -0.03 -0.03 0.06 -0.04 1.67 1.62 3h1cM1 ARG 93 HG3 -0.03 0.11 0.08 -0.04 1.67 1.79 3h1cM1 ARG 93 HD2 -0.08 0.13 0.09 -0.04 3.22 3.32 3h1cM1 ARG 93 HD3 -0.05 -0.05 0.07 -0.04 3.22 3.14 3h1cM1 LEU 94 H -0.07 0.32 -0.15 -0.55 8.37 7.92 3h1cM1 LEU 94 HA -0.03 0.05 0.48 -0.75 4.35 4.10 3h1cM1 LEU 94 HB2 -0.11 -0.00 0.21 -0.04 1.64 1.70 3h1cM1 LEU 94 HB3 -0.07 -0.01 0.00 -0.04 1.64 1.52 3h1cM1 LEU 94 HG -0.04 0.01 0.01 -0.04 1.64 1.58 3h1cM1 LEU 94 HD13 -0.05 -0.05 -0.19 -0.04 0.93 0.60 3h1cM1 LEU 94 HD23 -0.06 -0.03 -0.07 -0.04 0.89 0.69 3h1cM1 ILE 95 H -0.05 0.16 -0.55 -0.55 8.25 7.26 3h1cM1 ILE 95 HA -0.01 0.13 0.71 -0.75 4.18 4.26 3h1cM1 ILE 95 HB -0.02 0.06 0.04 -0.04 1.89 1.92 3h1cM1 ILE 95 HG12 -0.05 -0.04 -0.25 -0.04 1.49 1.11 3h1cM1 ILE 95 HG13 -0.11 0.05 -0.21 -0.04 1.21 0.90 3h1cM1 ILE 95 HG23 0.01 -0.01 -0.18 -0.04 0.93 0.72 3h1cM1 ILE 95 HD13 -0.09 -0.04 -0.21 -0.04 0.88 0.50 3h1cM1 ASP 96 H 0.00 0.30 -0.06 -0.55 8.40 8.09 3h1cM1 ASP 96 HA 0.06 0.05 0.31 -0.75 4.63 4.30 3h1cM1 ASP 96 HB2 0.02 0.04 0.17 -0.04 2.71 2.89 3h1cM1 ASP 96 HB3 0.01 -0.01 0.19 -0.04 2.70 2.84 3h1cM1 ARG 97 H 0.02 0.37 -0.16 -0.55 8.46 8.13 3h1cM1 ARG 97 HA 0.04 0.05 0.35 -0.75 4.34 4.03 3h1cM1 ARG 97 HB2 0.01 0.02 0.12 -0.04 1.90 2.01 3h1cM1 ARG 97 HB3 0.01 0.04 0.03 -0.04 1.80 1.84 3h1cM1 ARG 97 HG2 0.01 0.03 -0.10 -0.04 1.67 1.57 3h1cM1 ARG 97 HG3 0.02 -0.00 0.04 -0.04 1.67 1.68 3h1cM1 ARG 97 HD2 0.00 -0.02 -0.02 -0.04 3.22 3.14 3h1cM1 ARG 97 HD3 0.00 -0.04 -0.01 -0.04 3.22 3.13 3h1cM1 PRO 98 HA 0.01 0.15 0.43 -0.51 4.44 4.52 3h1cM1 PRO 98 HB2 0.02 -0.02 -0.14 -0.04 2.28 2.10 3h1cM1 PRO 98 HB3 0.01 -0.06 -0.02 -0.04 2.02 1.91 3h1cM1 PRO 98 HG2 0.03 0.11 -0.07 -0.04 2.03 2.07 3h1cM1 PRO 98 HG3 0.01 0.11 0.00 -0.04 2.03 2.10 3h1cM1 PRO 98 HD2 0.02 0.00 -0.78 -0.04 3.68 2.89 3h1cM1 PRO 98 HD3 0.01 0.09 -0.10 -0.04 3.65 3.60 3h1cM1 ILE 99 H 0.09 0.27 -0.42 -0.55 8.25 7.64 3h1cM1 ILE 99 HA 0.12 0.08 0.46 -0.75 4.18 4.09 3h1cM1 ILE 99 HB 0.40 -0.03 -0.03 -0.04 1.89 2.18 3h1cM1 ILE 99 HG12 0.13 0.28 0.09 -0.04 1.49 1.95 3h1cM1 ILE 99 HG13 0.26 0.10 -0.17 -0.04 1.21 1.35 3h1cM1 ILE 99 HG23 0.13 -0.01 -0.12 -0.04 0.93 0.89 3h1cM1 ILE 99 HD13 0.19 -0.05 -0.15 -0.04 0.88 0.83 3h1cM1 ARG 100 H 0.13 0.26 -0.25 -0.55 8.46 8.06 3h1cM1 ARG 100 HA 0.43 0.02 0.36 -0.75 4.34 4.39 3h1cM1 ARG 100 HB2 0.16 0.07 0.12 -0.04 1.90 2.22 3h1cM1 ARG 100 HB3 0.11 0.10 0.11 -0.04 1.80 2.07 3h1cM1 ARG 100 HG2 0.15 0.03 -0.17 -0.04 1.67 1.64 3h1cM1 ARG 100 HG3 0.32 -0.02 0.03 -0.04 1.67 1.95 3h1cM1 ARG 100 HD2 0.09 -0.01 -0.01 -0.04 3.22 3.24 3h1cM1 ARG 100 HD3 0.13 -0.03 -0.01 -0.04 3.22 3.27 3h1cM1 PRO 101 HA 0.00 0.11 0.45 -0.51 4.44 4.49 3h1cM1 PRO 101 HB2 -0.05 -0.00 -0.07 -0.04 2.28 2.11 3h1cM1 PRO 101 HB3 -0.01 0.07 0.23 -0.04 2.02 2.27 3h1cM1 PRO 101 HG2 -0.01 0.13 0.02 -0.04 2.03 2.13 3h1cM1 PRO 101 HG3 0.02 -0.06 0.02 -0.04 2.03 1.96 3h1cM1 PRO 101 HD2 -0.01 0.23 -0.33 -0.04 3.68 3.53 3h1cM1 PRO 101 HD3 0.05 0.12 0.01 -0.04 3.65 3.79 3h1cM1 LEU 102 H -0.16 0.20 -0.74 -0.55 8.37 7.13 3h1cM1 LEU 102 HA -0.33 0.08 0.49 -0.75 4.35 3.84 3h1cM1 LEU 102 HB2 -0.91 0.23 -0.01 -0.04 1.64 0.91 3h1cM1 LEU 102 HB3 -1.19 -0.24 -0.08 -0.04 1.64 0.08 3h1cM1 LEU 102 HG -0.25 0.05 -0.18 -0.04 1.64 1.23 3h1cM1 LEU 102 HD13 -0.26 -0.04 -0.10 -0.04 0.93 0.49 3h1cM1 LEU 102 HD23 -0.30 -0.03 -0.30 -0.04 0.89 0.22 3h1cM1 PHE 103 H -0.11 0.26 -0.13 -0.55 8.34 7.81 3h1cM1 PHE 103 HA -0.46 0.14 0.59 -0.75 4.62 4.14 3h1cM1 PHE 103 HB2 -0.54 0.08 0.13 -0.04 3.15 2.79 3h1cM1 PHE 103 HB3 -0.72 0.00 0.02 -0.04 3.06 2.32 3h1cM1 PHE 103 HD2 -0.41 0.10 0.07 -0.04 7.28 7.01 3h1cM1 PHE 103 HE2 0.03 -0.06 -0.15 -0.04 7.38 7.16 3h1cM1 PHE 103 HZ 0.09 -0.10 -0.11 -0.04 7.32 7.16 3h1cM1 PRO 104 HA -0.09 0.05 0.31 -0.51 4.44 4.21 3h1cM1 PRO 104 HB2 0.04 0.00 -0.15 -0.04 2.28 2.14 3h1cM1 PRO 104 HB3 -0.05 0.03 0.05 -0.04 2.02 2.00 3h1cM1 PRO 104 HG2 -0.54 -0.07 0.00 -0.04 2.03 1.38 3h1cM1 PRO 104 HG3 -0.32 0.03 0.00 -0.04 2.03 1.70 3h1cM1 PRO 104 HD2 -0.45 0.16 0.22 -0.04 3.68 3.57 3h1cM1 PRO 104 HD3 -0.35 0.14 0.08 -0.04 3.65 3.48 3h1cM1 GLU 105 H 0.02 0.12 0.14 -0.55 8.60 8.33 3h1cM1 GLU 105 HA 0.03 0.08 0.51 -0.75 4.29 4.16 3h1cM1 GLU 105 HB2 0.03 0.08 0.16 -0.04 2.09 2.31 3h1cM1 GLU 105 HB3 0.06 -0.04 0.22 -0.04 1.99 2.19 3h1cM1 GLU 105 HG2 0.08 -0.03 -0.15 -0.04 2.34 2.21 3h1cM1 GLU 105 HG3 0.06 0.02 0.02 -0.04 2.34 2.41 3h1cM1 GLY 106 H 0.09 0.22 0.25 -0.55 8.43 8.44 3h1cM1 GLY 106 HA2 0.19 -0.02 0.27 -0.51 4.01 3.95 3h1cM1 GLY 106 HA3 0.36 0.12 0.79 -0.51 4.01 4.77 3h1cM1 PHE 107 H 0.07 0.45 0.08 -0.55 8.34 8.38 3h1cM1 PHE 107 HA -0.14 -0.00 0.58 -0.75 4.62 4.31 3h1cM1 PHE 107 HB2 -0.72 0.05 0.04 -0.04 3.15 2.48 3h1cM1 PHE 107 HB3 -0.56 0.06 0.11 -0.04 3.06 2.63 3h1cM1 PHE 107 HD2 -1.32 -0.00 -0.09 -0.04 7.28 5.83 3h1cM1 PHE 107 HE2 -0.28 0.04 -0.08 -0.04 7.38 7.02 3h1cM1 PHE 107 HZ -0.23 0.01 -0.10 -0.04 7.32 6.96 3h1cM1 VAL 108 H -0.24 0.07 0.18 -0.55 8.24 7.70 3h1cM1 VAL 108 HA 0.01 0.21 0.67 -0.75 4.13 4.26 3h1cM1 VAL 108 HB -0.03 -0.05 -0.10 -0.04 2.12 1.90 3h1cM1 VAL 108 HG13 -0.07 0.00 -0.30 -0.04 0.97 0.56 3h1cM1 VAL 108 HG23 0.08 0.07 -0.25 -0.04 0.95 0.81 3h1cM1 ASN 109 H -0.92 -0.01 0.03 -0.55 8.53 7.08 3h1cM1 ASN 109 HA -0.16 -0.06 0.40 -0.75 4.76 4.18 3h1cM1 ASN 109 HB2 -0.96 -0.01 0.02 -0.04 2.88 1.88 3h1cM1 ASN 109 HB3 -0.01 0.20 -0.10 -0.04 2.79 2.84 3h1cM1 ASN 109 HD21 0.31 0.01 0.04 -0.04 7.03 7.36 3h1cM1 ASN 109 HD22 0.30 0.03 -0.01 -0.04 7.74 8.02 3h1cM1 GLU 110 H -0.07 0.02 0.17 -0.55 8.60 8.17 3h1cM1 GLU 110 HA -0.18 0.26 0.56 -0.75 4.29 4.17 3h1cM1 GLU 110 HB2 -0.12 -0.01 0.17 -0.04 2.09 2.09 3h1cM1 GLU 110 HB3 -0.05 -0.08 0.17 -0.04 1.99 1.99 3h1cM1 GLU 110 HG2 -0.07 -0.01 -0.24 -0.04 2.34 1.98 3h1cM1 GLU 110 HG3 -0.15 0.10 0.04 -0.04 2.34 2.29 3h1cM1 VAL 111 H -0.17 0.47 0.36 -0.55 8.24 8.34 3h1cM1 VAL 111 HA 0.01 0.26 1.04 -0.75 4.13 4.68 3h1cM1 VAL 111 HB 0.01 -0.05 -0.07 -0.04 2.12 1.98 3h1cM1 VAL 111 HG13 0.09 0.00 -0.16 -0.04 0.97 0.86 3h1cM1 VAL 111 HG23 -0.10 0.02 0.01 -0.04 0.95 0.84 3h1cM1 GLN 112 H -0.01 0.51 0.32 -0.55 8.47 8.74 3h1cM1 GLN 112 HA -0.04 0.29 1.09 -0.75 4.36 4.94 3h1cM1 GLN 112 HB2 -0.03 -0.01 -0.06 -0.04 2.15 2.01 3h1cM1 GLN 112 HB3 -0.01 -0.06 0.15 -0.04 2.02 2.06 3h1cM1 GLN 112 HG2 -0.01 -0.05 -0.22 -0.04 2.40 2.08 3h1cM1 GLN 112 HG3 -0.02 0.11 0.04 -0.04 2.39 2.47 3h1cM1 GLN 112 HE21 -0.00 -0.02 -0.07 -0.04 6.97 6.84 3h1cM1 GLN 112 HE22 -0.01 -0.01 -0.10 -0.04 7.69 7.52 3h1cM1 VAL 113 H -0.01 0.45 0.27 -0.55 8.24 8.40 3h1cM1 VAL 113 HA -0.03 0.32 1.12 -0.75 4.13 4.78 3h1cM1 VAL 113 HB 0.01 -0.09 0.15 -0.04 2.12 2.16 3h1cM1 VAL 113 HG13 -0.03 -0.00 -0.16 -0.04 0.97 0.74 3h1cM1 VAL 113 HG23 0.01 0.02 -0.16 -0.04 0.95 0.78 3h1cM1 ILE 114 H -0.04 0.69 0.31 -0.55 8.25 8.66 3h1cM1 ILE 114 HA 0.00 0.15 1.04 -0.75 4.18 4.62 3h1cM1 ILE 114 HB -0.03 -0.01 0.17 -0.04 1.89 1.98 3h1cM1 ILE 114 HG12 -0.00 -0.02 -0.07 -0.04 1.49 1.36 3h1cM1 ILE 114 HG13 -0.01 -0.05 -0.24 -0.04 1.21 0.87 3h1cM1 ILE 114 HG23 0.01 -0.01 -0.11 -0.04 0.93 0.78 3h1cM1 ILE 114 HD13 0.00 0.00 -0.06 -0.04 0.88 0.79 3h1cM1 ALA 115 H 0.03 0.76 0.41 -0.55 8.40 9.05 3h1cM1 ALA 115 HA -0.02 0.28 1.07 -0.75 4.34 4.92 3h1cM1 ALA 115 HB3 0.14 -0.02 -0.04 -0.04 1.41 1.45 3h1cM1 THR 116 H 0.03 0.70 0.26 -0.55 8.28 8.72 3h1cM1 THR 116 HA -0.17 0.23 1.08 -0.75 4.39 4.79 3h1cM1 THR 116 HB -0.00 0.00 -0.06 -0.04 4.32 4.21 3h1cM1 THR 116 HG23 0.18 0.02 0.05 -0.04 1.22 1.42 3h1cM1 VAL 117 H -0.20 0.39 0.38 -0.55 8.24 8.26 3h1cM1 VAL 117 HA -0.00 0.14 0.92 -0.75 4.13 4.44 3h1cM1 VAL 117 HB -0.13 -0.14 0.26 -0.04 2.12 2.07 3h1cM1 VAL 117 HG13 -0.01 0.02 -0.04 -0.04 0.97 0.89 3h1cM1 VAL 117 HG23 -0.09 0.01 -0.00 -0.04 0.95 0.83 3h1cM1 VAL 118 H 0.03 0.47 0.43 -0.55 8.24 8.62 3h1cM1 VAL 118 HA 0.07 0.12 0.86 -0.75 4.13 4.43 3h1cM1 VAL 118 HB 0.10 -0.03 -0.03 -0.04 2.12 2.12 3h1cM1 VAL 118 HG13 0.06 0.02 -0.14 -0.04 0.97 0.87 3h1cM1 VAL 118 HG23 0.19 0.00 0.00 -0.04 0.95 1.10 3h1cM1 SER 119 H 0.03 0.28 0.36 -0.55 8.46 8.58 3h1cM1 SER 119 HA 0.04 0.25 0.72 -0.75 4.49 4.74 3h1cM1 SER 119 HB2 0.03 0.10 0.08 -0.04 3.95 4.11 3h1cM1 SER 119 HB3 0.05 0.07 -0.07 -0.04 3.93 3.93 3h1cM1 VAL 120 H 0.01 0.68 0.22 -0.55 8.24 8.61 3h1cM1 VAL 120 HA 0.01 -0.03 0.92 -0.75 4.13 4.28 3h1cM1 VAL 120 HB -0.00 -0.08 -0.30 -0.04 2.12 1.70 3h1cM1 VAL 120 HG13 -0.00 0.03 -0.40 -0.04 0.97 0.56 3h1cM1 VAL 120 HG23 0.01 -0.01 -0.06 -0.04 0.95 0.85 3h1cM1 ASN 121 H 0.00 0.14 0.21 -0.55 8.53 8.33 3h1cM1 ASN 121 HA 0.01 0.34 0.93 -0.75 4.76 5.29 3h1cM1 ASN 121 HB2 0.00 0.03 0.06 -0.04 2.88 2.93 3h1cM1 ASN 121 HB3 -0.01 -0.14 0.25 -0.04 2.79 2.85 3h1cM1 ASN 121 HD21 0.02 0.02 0.05 -0.04 7.03 7.08 3h1cM1 ASN 121 HD22 0.01 0.14 0.13 -0.04 7.74 7.98 3h1cM1 PRO 122 HA 0.01 0.07 0.31 -0.51 4.44 4.32 3h1cM1 PRO 122 HB2 0.01 -0.02 -0.01 -0.04 2.28 2.22 3h1cM1 PRO 122 HB3 0.01 0.07 0.10 -0.04 2.02 2.17 3h1cM1 PRO 122 HG2 0.01 0.06 0.09 -0.04 2.03 2.15 3h1cM1 PRO 122 HG3 0.01 0.15 0.10 -0.04 2.03 2.25 3h1cM1 PRO 122 HD2 0.01 0.06 0.21 -0.04 3.68 3.93 3h1cM1 PRO 122 HD3 0.01 0.32 0.26 -0.04 3.65 4.20 3h1cM1 GLN 123 H 0.01 -0.03 -0.61 -0.55 8.47 7.30 3h1cM1 GLN 123 HA 0.02 0.06 0.92 -0.75 4.36 4.61 3h1cM1 GLN 123 HB2 0.03 0.04 0.03 -0.04 2.15 2.22 3h1cM1 GLN 123 HB3 0.04 -0.07 0.09 -0.04 2.02 2.04 3h1cM1 GLN 123 HG2 0.02 0.00 -0.13 -0.04 2.40 2.25 3h1cM1 GLN 123 HG3 0.03 0.07 -0.01 -0.04 2.39 2.44 3h1cM1 GLN 123 HE21 0.02 0.02 -0.08 -0.04 6.97 6.89 3h1cM1 GLN 123 HE22 0.02 0.05 -0.12 -0.04 7.69 7.60 3h1cM1 VAL 124 H -0.01 0.13 0.03 -0.55 8.24 7.84 3h1cM1 VAL 124 HA -0.06 0.17 0.80 -0.75 4.13 4.28 3h1cM1 VAL 124 HB -0.06 -0.10 0.20 -0.04 2.12 2.12 3h1cM1 VAL 124 HG13 -0.17 0.04 -0.10 -0.04 0.97 0.70 3h1cM1 VAL 124 HG23 -0.15 0.01 -0.01 -0.04 0.95 0.76 3h1cM1 ASN 125 H -0.03 0.21 0.14 -0.55 8.53 8.31 3h1cM1 ASN 125 HA 0.01 0.22 0.69 -0.75 4.76 4.93 3h1cM1 ASN 125 HB2 0.01 0.14 0.06 -0.04 2.88 3.05 3h1cM1 ASN 125 HB3 0.00 -0.07 0.13 -0.04 2.79 2.81 3h1cM1 ASN 125 HD21 0.01 -0.01 -0.03 -0.04 7.03 6.96 3h1cM1 ASN 125 HD22 0.01 0.09 -0.04 -0.04 7.74 7.77 3h1cM1 PRO 126 HA 0.03 0.08 0.43 -0.51 4.44 4.47 3h1cM1 PRO 126 HB2 0.13 0.01 0.04 -0.04 2.28 2.42 3h1cM1 PRO 126 HB3 0.05 0.09 0.10 -0.04 2.02 2.22 3h1cM1 PRO 126 HG2 0.12 -0.00 -0.04 -0.04 2.03 2.07 3h1cM1 PRO 126 HG3 0.06 0.08 0.04 -0.04 2.03 2.17 3h1cM1 PRO 126 HD2 0.03 0.06 0.21 -0.04 3.68 3.94 3h1cM1 PRO 126 HD3 0.02 0.37 0.28 -0.04 3.65 4.29 3h1cM1 ASP 127 H 0.01 0.12 -0.56 -0.55 8.40 7.42 3h1cM1 ASP 127 HA -0.12 0.10 0.38 -0.75 4.63 4.24 3h1cM1 ASP 127 HB2 -0.08 0.08 -0.03 -0.04 2.71 2.63 3h1cM1 ASP 127 HB3 -0.05 -0.01 0.01 -0.04 2.70 2.61 3h1cM1 ILE 128 H -0.00 0.22 -0.11 -0.55 8.25 7.81 3h1cM1 ILE 128 HA -0.01 0.19 0.62 -0.75 4.18 4.23 3h1cM1 ILE 128 HB 0.05 0.08 -0.08 -0.04 1.89 1.90 3h1cM1 ILE 128 HG12 0.04 0.01 -0.01 -0.04 1.49 1.49 3h1cM1 ILE 128 HG13 0.01 -0.05 0.09 -0.04 1.21 1.22 3h1cM1 ILE 128 HG23 0.03 0.00 -0.16 -0.04 0.93 0.76 3h1cM1 ILE 128 HD13 0.04 0.02 -0.12 -0.04 0.88 0.78 3h1cM1 VAL 129 H 0.01 0.08 -0.31 -0.55 8.24 7.47 3h1cM1 VAL 129 HA 0.01 0.13 0.46 -0.75 4.13 3.98 3h1cM1 VAL 129 HB 0.03 0.05 0.03 -0.04 2.12 2.19 3h1cM1 VAL 129 HG13 0.01 0.01 -0.12 -0.04 0.97 0.83 3h1cM1 VAL 129 HG23 -0.00 0.03 -0.04 -0.04 0.95 0.90 3h1cM1 ALA 130 H 0.03 0.39 -0.27 -0.55 8.40 8.01 3h1cM1 ALA 130 HA 0.05 0.09 0.47 -0.75 4.34 4.20 3h1cM1 ALA 130 HB3 0.10 0.03 -0.02 -0.04 1.41 1.49 3h1cM1 MET 131 H -0.02 0.15 -0.47 -0.55 8.47 7.58 3h1cM1 MET 131 HA -0.02 0.10 0.42 -0.75 4.52 4.26 3h1cM1 MET 131 HB2 -0.01 0.01 0.08 -0.04 2.15 2.18 3h1cM1 MET 131 HB3 -0.01 0.04 -0.09 -0.04 2.03 1.93 3h1cM1 MET 131 HG2 -0.03 0.11 -0.09 -0.04 2.63 2.58 3h1cM1 MET 131 HG3 -0.06 0.04 -0.04 -0.04 2.56 2.46 3h1cM1 MET 131 HE3 -0.00 0.05 -0.05 -0.04 2.10 2.06 3h1cM1 ILE 132 H -0.01 0.32 -0.29 -0.55 8.25 7.72 3h1cM1 ILE 132 HA -0.03 0.14 0.53 -0.75 4.18 4.07 3h1cM1 ILE 132 HB -0.00 0.08 0.10 -0.04 1.89 2.03 3h1cM1 ILE 132 HG12 -0.05 -0.04 0.06 -0.04 1.49 1.42 3h1cM1 ILE 132 HG13 -0.02 0.05 0.06 -0.04 1.21 1.26 3h1cM1 ILE 132 HG23 0.02 0.00 -0.11 -0.04 0.93 0.80 3h1cM1 ILE 132 HD13 -0.03 -0.01 -0.00 -0.04 0.88 0.80 3h1cM1 GLY 133 H -0.01 0.32 -0.28 -0.55 8.43 7.92 3h1cM1 GLY 133 HA2 -0.03 0.04 0.39 -0.51 4.01 3.90 3h1cM1 GLY 133 HA3 -0.02 0.10 0.32 -0.51 4.01 3.90 3h1cM1 ALA 134 H -0.03 0.44 -0.27 -0.55 8.40 8.00 3h1cM1 ALA 134 HA -0.09 0.04 0.45 -0.75 4.34 3.98 3h1cM1 ALA 134 HB3 -0.03 0.03 -0.01 -0.04 1.41 1.35 3h1cM1 SER 135 H -0.06 0.31 -0.40 -0.55 8.46 7.76 3h1cM1 SER 135 HA -0.15 0.04 0.43 -0.75 4.49 4.05 3h1cM1 SER 135 HB2 -0.02 0.09 0.11 -0.04 3.95 4.09 3h1cM1 SER 135 HB3 -0.05 0.10 0.16 -0.04 3.93 4.10 3h1cM1 ALA 136 H -0.08 0.46 -0.22 -0.55 8.40 8.01 3h1cM1 ALA 136 HA -0.09 0.08 0.47 -0.75 4.34 4.05 3h1cM1 ALA 136 HB3 -0.04 0.01 0.02 -0.04 1.41 1.36 3h1cM1 ALA 137 H -0.12 0.41 -0.22 -0.55 8.40 7.92 3h1cM1 ALA 137 HA -0.10 0.06 0.30 -0.75 4.34 3.84 3h1cM1 ALA 137 HB3 -0.12 0.01 -0.06 -0.04 1.41 1.19 3h1cM1 LEU 138 H -0.30 0.47 -0.22 -0.55 8.37 7.78 3h1cM1 LEU 138 HA -0.33 0.02 0.37 -0.75 4.35 3.66 3h1cM1 LEU 138 HB2 -0.90 0.11 0.04 -0.04 1.64 0.84 3h1cM1 LEU 138 HB3 -1.40 0.02 -0.05 -0.04 1.64 0.17 3h1cM1 LEU 138 HG -0.24 -0.07 -0.05 -0.04 1.64 1.24 3h1cM1 LEU 138 HD13 -0.21 0.01 -0.11 -0.04 0.93 0.58 3h1cM1 LEU 138 HD23 -0.03 -0.01 -0.11 -0.04 0.89 0.71 3h1cM1 SER 139 H -0.29 0.17 -0.63 -0.55 8.46 7.18 3h1cM1 SER 139 HA -0.17 0.16 0.63 -0.75 4.49 4.35 3h1cM1 SER 139 HB2 -0.13 0.01 0.04 -0.04 3.95 3.82 3h1cM1 SER 139 HB3 -0.11 0.08 0.03 -0.04 3.93 3.89 3h1cM1 LEU 140 H -0.13 0.31 -0.13 -0.55 8.37 7.87 3h1cM1 LEU 140 HA -0.04 0.11 0.60 -0.75 4.35 4.26 3h1cM1 LEU 140 HB2 -0.06 -0.01 0.09 -0.04 1.64 1.62 3h1cM1 LEU 140 HB3 -0.03 0.04 0.09 -0.04 1.64 1.70 3h1cM1 LEU 140 HG -0.05 -0.00 -0.08 -0.04 1.64 1.46 3h1cM1 LEU 140 HD13 -0.03 -0.04 -0.16 -0.04 0.93 0.66 3h1cM1 LEU 140 HD23 -0.02 0.03 -0.30 -0.04 0.89 0.56 3h1cM1 SER 141 H -0.13 0.16 -0.40 -0.55 8.46 7.54 3h1cM1 SER 141 HA -0.00 0.22 0.35 -0.75 4.49 4.31 3h1cM1 SER 141 HB2 -0.11 -0.09 -0.07 -0.04 3.95 3.65 3h1cM1 SER 141 HB3 -0.11 0.04 -0.03 -0.04 3.93 3.79 3h1cM1 GLY 142 H -0.11 0.20 -0.37 -0.55 8.43 7.60 3h1cM1 GLY 142 HA2 0.02 0.06 0.15 -0.51 4.01 3.73 3h1cM1 GLY 142 HA3 0.19 0.31 0.61 -0.51 4.01 4.62 3h1cM1 ILE 143 H -0.51 0.02 -0.37 -0.55 8.25 6.85 3h1cM1 ILE 143 HA -1.21 0.06 0.42 -0.75 4.18 2.69 3h1cM1 ILE 143 HB -0.45 0.02 -0.01 -0.04 1.89 1.40 3h1cM1 ILE 143 HG12 -1.98 0.03 -0.09 -0.04 1.49 -0.60 3h1cM1 ILE 143 HG13 -0.91 0.02 -0.15 -0.04 1.21 0.12 3h1cM1 ILE 143 HG23 -0.55 0.02 -0.16 -0.04 0.93 0.20 3h1cM1 ILE 143 HD13 -0.25 -0.03 -0.12 -0.04 0.88 0.45 3h1cM1 PRO 144 HA -0.16 0.02 0.39 -0.51 4.44 4.18 3h1cM1 PRO 144 HB2 -0.51 -0.01 0.11 -0.04 2.28 1.83 3h1cM1 PRO 144 HB3 -0.13 0.04 0.11 -0.04 2.02 2.00 3h1cM1 PRO 144 HG2 -1.15 -0.02 0.08 -0.04 2.03 0.90 3h1cM1 PRO 144 HG3 -0.24 0.02 0.06 -0.04 2.03 1.83 3h1cM1 PRO 144 HD2 -0.49 0.02 0.21 -0.04 3.68 3.38 3h1cM1 PRO 144 HD3 0.02 0.19 0.24 -0.04 3.65 4.07 3h1cM1 PHE 145 H -0.12 0.22 0.18 -0.55 8.34 8.07 3h1cM1 PHE 145 HA -0.58 0.12 0.73 -0.75 4.62 4.14 3h1cM1 PHE 145 HB2 -0.45 0.26 -0.20 -0.04 3.15 2.71 3h1cM1 PHE 145 HB3 -0.30 -0.02 0.04 -0.04 3.06 2.74 3h1cM1 PHE 145 HD2 -0.85 0.01 -0.14 -0.04 7.28 6.25 3h1cM1 PHE 145 HE2 -0.43 -0.04 -0.05 -0.04 7.38 6.82 3h1cM1 PHE 145 HZ -0.19 -0.05 -0.06 -0.04 7.32 6.98 3h1cM1 ASN 146 H -0.72 0.42 0.05 -0.55 8.53 7.74 3h1cM1 ASN 146 HA -0.19 0.15 0.62 -0.75 4.76 4.60 3h1cM1 ASN 146 HB2 -0.34 0.17 0.20 -0.04 2.88 2.86 3h1cM1 ASN 146 HB3 -0.19 -0.09 0.24 -0.04 2.79 2.71 3h1cM1 ASN 146 HD21 -0.13 -0.11 -0.02 -0.04 7.03 6.73 3h1cM1 ASN 146 HD22 -0.22 0.22 -0.00 -0.04 7.74 7.70 3h1cM1 GLY 147 H -0.21 0.07 -0.67 -0.55 8.43 7.07 3h1cM1 GLY 147 HA2 -0.12 0.08 0.48 -0.51 4.01 3.94 3h1cM1 GLY 147 HA3 0.11 -0.09 0.26 -0.51 4.01 3.78 3h1cM1 PRO 148 HA 0.18 0.04 0.30 -0.51 4.44 4.45 3h1cM1 PRO 148 HB2 -0.02 0.04 -0.02 -0.04 2.28 2.24 3h1cM1 PRO 148 HB3 -0.02 0.15 0.04 -0.04 2.02 2.16 3h1cM1 PRO 148 HG2 -0.05 -0.02 0.00 -0.04 2.03 1.93 3h1cM1 PRO 148 HG3 -0.04 0.04 -0.01 -0.04 2.03 1.98 3h1cM1 PRO 148 HD2 -0.04 -0.01 0.24 -0.04 3.68 3.83 3h1cM1 PRO 148 HD3 -0.02 0.19 0.28 -0.04 3.65 4.06 3h1cM1 ILE 149 H 0.04 0.16 0.10 -0.55 8.25 8.00 3h1cM1 ILE 149 HA -0.01 0.30 0.85 -0.75 4.18 4.56 3h1cM1 ILE 149 HB 0.01 -0.02 -0.01 -0.04 1.89 1.83 3h1cM1 ILE 149 HG12 0.10 -0.02 -0.07 -0.04 1.49 1.46 3h1cM1 ILE 149 HG13 0.02 -0.01 -0.08 -0.04 1.21 1.09 3h1cM1 ILE 149 HG23 0.01 -0.01 -0.37 -0.04 0.93 0.52 3h1cM1 ILE 149 HD13 0.04 0.02 -0.18 -0.04 0.88 0.71 3h1cM1 GLY 150 H -0.01 0.39 0.24 -0.55 8.43 8.50 3h1cM1 GLY 150 HA2 -0.07 0.13 0.83 -0.51 4.01 4.39 3h1cM1 GLY 150 HA3 -0.06 0.10 0.31 -0.51 4.01 3.84 3h1cM1 ALA 151 H -0.06 0.18 0.16 -0.55 8.40 8.14 3h1cM1 ALA 151 HA 0.02 0.33 1.00 -0.75 4.34 4.94 3h1cM1 ALA 151 HB3 0.01 -0.01 0.00 -0.04 1.41 1.37 3h1cM1 ALA 152 H 0.06 0.54 0.29 -0.55 8.40 8.74 3h1cM1 ALA 152 HA 0.17 0.10 0.86 -0.75 4.34 4.71 3h1cM1 ALA 152 HB3 0.11 0.00 -0.03 -0.04 1.41 1.46 3h1cM1 ARG 153 H 0.10 0.17 0.25 -0.55 8.46 8.42 3h1cM1 ARG 153 HA 0.07 0.40 1.22 -0.75 4.34 5.27 3h1cM1 ARG 153 HB2 0.05 -0.08 0.07 -0.04 1.90 1.90 3h1cM1 ARG 153 HB3 0.06 -0.07 0.20 -0.04 1.80 1.96 3h1cM1 ARG 153 HG2 0.05 0.05 -0.05 -0.04 1.67 1.69 3h1cM1 ARG 153 HG3 0.04 0.08 -0.04 -0.04 1.67 1.71 3h1cM1 ARG 153 HD2 0.03 -0.10 -0.03 -0.04 3.22 3.08 3h1cM1 ARG 153 HD3 0.04 0.06 -0.00 -0.04 3.22 3.27 3h1cM1 VAL 154 H 0.09 0.61 0.40 -0.55 8.24 8.78 3h1cM1 VAL 154 HA 0.18 0.23 1.05 -0.75 4.13 4.84 3h1cM1 VAL 154 HB 0.13 -0.06 0.08 -0.04 2.12 2.23 3h1cM1 VAL 154 HG13 0.24 0.02 -0.04 -0.04 0.97 1.15 3h1cM1 VAL 154 HG23 0.17 0.07 -0.14 -0.04 0.95 1.01 3h1cM1 GLY 155 H 0.15 0.61 0.40 -0.55 8.43 9.04 3h1cM1 GLY 155 HA2 0.11 0.49 0.98 -0.51 4.01 5.08 3h1cM1 GLY 155 HA3 0.08 -0.02 0.42 -0.51 4.01 3.98 3h1cM1 TYR 156 H 0.11 0.16 0.14 -0.55 8.29 8.16 3h1cM1 TYR 156 HA -0.11 0.31 0.70 -0.75 4.56 4.71 3h1cM1 TYR 156 HB2 -0.00 0.07 -0.28 -0.04 3.06 2.81 3h1cM1 TYR 156 HB3 -0.04 -0.18 0.20 -0.04 2.98 2.91 3h1cM1 TYR 156 HD2 -0.22 0.04 -0.10 -0.04 7.15 6.83 3h1cM1 TYR 156 HE2 -0.51 0.03 -0.14 -0.04 6.85 6.19 3h1cM1 ILE 157 H -0.22 0.57 0.16 -0.55 8.25 8.21 3h1cM1 ILE 157 HA -0.10 0.20 0.97 -0.75 4.18 4.49 3h1cM1 ILE 157 HB -0.09 0.03 0.03 -0.04 1.89 1.82 3h1cM1 ILE 157 HG12 -0.02 0.10 -0.21 -0.04 1.49 1.32 3h1cM1 ILE 157 HG13 -0.02 -0.25 -0.29 -0.04 1.21 0.61 3h1cM1 ILE 157 HG23 -0.06 0.02 -0.09 -0.04 0.93 0.76 3h1cM1 ILE 157 HD13 -0.01 0.02 -0.04 -0.04 0.88 0.81 3h1cM1 ASN 158 H -0.13 0.22 0.14 -0.55 8.53 8.22 3h1cM1 ASN 158 HA -0.12 0.05 0.32 -0.75 4.76 4.25 3h1cM1 ASN 158 HB2 -0.13 0.14 -0.04 -0.04 2.88 2.80 3h1cM1 ASN 158 HB3 -0.10 0.02 0.16 -0.04 2.79 2.82 3h1cM1 ASN 158 HD21 -0.05 0.01 -0.05 -0.04 7.03 6.90 3h1cM1 ASN 158 HD22 -0.07 0.03 -0.10 -0.04 7.74 7.56 3h1cM1 ASP 159 H -0.37 0.06 -0.20 -0.55 8.40 7.34 3h1cM1 ASP 159 HA -0.74 -0.03 0.17 -0.75 4.63 3.27 3h1cM1 ASP 159 HB2 -0.15 0.17 -0.08 -0.04 2.71 2.61 3h1cM1 ASP 159 HB3 -0.13 -0.02 0.19 -0.04 2.70 2.70 3h1cM1 GLN 160 H -0.84 0.16 -0.41 -0.55 8.47 6.83 3h1cM1 GLN 160 HA -0.56 0.06 0.63 -0.75 4.36 3.73 3h1cM1 GLN 160 HB2 -0.25 0.13 -0.32 -0.04 2.15 1.66 3h1cM1 GLN 160 HB3 -0.25 0.06 -0.09 -0.04 2.02 1.70 3h1cM1 GLN 160 HG2 -0.12 -0.02 -0.03 -0.04 2.40 2.19 3h1cM1 GLN 160 HG3 -0.19 -0.05 0.06 -0.04 2.39 2.17 3h1cM1 GLN 160 HE21 -0.05 -0.03 0.02 -0.04 6.97 6.87 3h1cM1 GLN 160 HE22 -0.07 -0.02 0.00 -0.04 7.69 7.57 3h1cM1 TYR 161 H -0.40 0.13 0.10 -0.55 8.29 7.58 3h1cM1 TYR 161 HA -0.13 0.27 0.59 -0.75 4.56 4.53 3h1cM1 TYR 161 HB2 -1.29 -0.01 0.05 -0.04 3.06 1.76 3h1cM1 TYR 161 HB3 -0.54 0.02 0.01 -0.04 2.98 2.43 3h1cM1 TYR 161 HD2 -0.14 0.08 -0.01 -0.04 7.15 7.03 3h1cM1 TYR 161 HE2 0.01 0.05 -0.09 -0.04 6.85 6.79 3h1cM1 VAL 162 H 0.08 0.30 0.14 -0.55 8.24 8.22 3h1cM1 VAL 162 HA 0.08 0.19 0.88 -0.75 4.13 4.52 3h1cM1 VAL 162 HB 0.04 -0.13 0.01 -0.04 2.12 2.00 3h1cM1 VAL 162 HG13 0.03 0.03 -0.18 -0.04 0.97 0.81 3h1cM1 VAL 162 HG23 -0.04 0.03 -0.21 -0.04 0.95 0.69 3h1cM1 LEU 163 H 0.18 0.17 0.10 -0.55 8.37 8.27 3h1cM1 LEU 163 HA 0.18 0.14 0.76 -0.75 4.35 4.67 3h1cM1 LEU 163 HB2 0.12 -0.02 0.07 -0.04 1.64 1.77 3h1cM1 LEU 163 HB3 0.01 0.01 0.15 -0.04 1.64 1.78 3h1cM1 LEU 163 HG -0.10 0.06 -0.12 -0.04 1.64 1.44 3h1cM1 LEU 163 HD13 -0.05 0.00 0.00 -0.04 0.93 0.84 3h1cM1 LEU 163 HD23 -0.43 0.01 -0.03 -0.04 0.89 0.40 3h1cM1 ASN 164 H 0.09 0.76 0.43 -0.55 8.53 9.26 3h1cM1 ASN 164 HA 0.07 -0.02 0.44 -0.75 4.76 4.50 3h1cM1 ASN 164 HB2 0.10 0.16 0.01 -0.04 2.88 3.10 3h1cM1 ASN 164 HB3 0.08 -0.05 0.11 -0.04 2.79 2.89 3h1cM1 ASN 164 HD21 0.18 0.03 0.05 -0.04 7.03 7.24 3h1cM1 ASN 164 HD22 -0.06 0.14 -0.03 -0.04 7.74 7.75 3h1cM1 PRO 165 HA 0.06 0.07 0.49 -0.51 4.44 4.55 3h1cM1 PRO 165 HB2 0.04 0.04 -0.09 -0.04 2.28 2.23 3h1cM1 PRO 165 HB3 0.04 -0.01 -0.08 -0.04 2.02 1.93 3h1cM1 PRO 165 HG2 0.06 0.07 -0.07 -0.04 2.03 2.05 3h1cM1 PRO 165 HG3 0.07 0.03 -0.10 -0.04 2.03 1.99 3h1cM1 PRO 165 HD2 0.06 0.05 0.05 -0.04 3.68 3.80 3h1cM1 PRO 165 HD3 0.08 0.19 -0.05 -0.04 3.65 3.83 3h1cM1 THR 166 H 0.05 0.06 0.18 -0.55 8.28 8.02 3h1cM1 THR 166 HA 0.05 0.37 0.63 -0.75 4.39 4.68 3h1cM1 THR 166 HB 0.04 -0.12 0.28 -0.04 4.32 4.48 3h1cM1 THR 166 HG23 0.11 0.05 0.03 -0.04 1.22 1.38 3h1cM1 GLN 167 H 0.03 0.24 0.30 -0.55 8.47 8.49 3h1cM1 GLN 167 HA 0.02 0.11 0.46 -0.75 4.36 4.20 3h1cM1 GLN 167 HB2 0.02 0.13 0.27 -0.04 2.15 2.53 3h1cM1 GLN 167 HB3 0.02 -0.01 0.08 -0.04 2.02 2.07 3h1cM1 GLN 167 HG2 0.01 0.07 0.05 -0.04 2.40 2.49 3h1cM1 GLN 167 HG3 0.02 -0.03 0.09 -0.04 2.39 2.43 3h1cM1 GLN 167 HE21 0.02 -0.03 -0.02 -0.04 6.97 6.90 3h1cM1 GLN 167 HE22 0.02 0.01 0.02 -0.04 7.69 7.70 3h1cM1 ASP 168 H 0.02 0.02 -0.22 -0.55 8.40 7.67 3h1cM1 ASP 168 HA 0.01 0.25 0.82 -0.75 4.63 4.96 3h1cM1 ASP 168 HB2 0.01 -0.03 0.02 -0.04 2.71 2.67 3h1cM1 ASP 168 HB3 0.01 0.06 0.09 -0.04 2.70 2.82 3h1cM1 GLU 169 H 0.02 0.19 -0.32 -0.55 8.60 7.95 3h1cM1 GLU 169 HA 0.01 0.23 0.77 -0.75 4.29 4.54 3h1cM1 GLU 169 HB2 0.03 -0.04 0.11 -0.04 2.09 2.15 3h1cM1 GLU 169 HB3 0.02 0.05 0.03 -0.04 1.99 2.05 3h1cM1 GLU 169 HG2 0.01 0.10 -0.03 -0.04 2.34 2.37 3h1cM1 GLU 169 HG3 0.02 -0.11 -0.08 -0.04 2.34 2.14 3h1cM1 LEU 170 H 0.02 0.32 -0.07 -0.55 8.37 8.09 3h1cM1 LEU 170 HA 0.03 0.06 0.48 -0.75 4.35 4.15 3h1cM1 LEU 170 HB2 0.03 0.04 0.05 -0.04 1.64 1.71 3h1cM1 LEU 170 HB3 0.03 0.02 0.01 -0.04 1.64 1.66 3h1cM1 LEU 170 HG 0.02 -0.01 0.00 -0.04 1.64 1.62 3h1cM1 LEU 170 HD13 0.02 0.02 -0.26 -0.04 0.93 0.66 3h1cM1 LEU 170 HD23 0.02 0.02 -0.09 -0.04 0.89 0.80 3h1cM1 LYS 171 H 0.01 0.06 -0.42 -0.55 8.42 7.52 3h1cM1 LYS 171 HA 0.01 0.16 0.50 -0.75 4.32 4.24 3h1cM1 LYS 171 HB2 0.01 0.01 -0.05 -0.04 1.87 1.80 3h1cM1 LYS 171 HB3 0.01 0.03 -0.00 -0.04 1.79 1.79 3h1cM1 LYS 171 HG2 0.01 0.01 -0.00 -0.04 1.46 1.44 3h1cM1 LYS 171 HG3 0.01 0.01 -0.01 -0.04 1.46 1.43 3h1cM1 LYS 171 HD2 0.01 -0.00 0.03 -0.04 1.69 1.69 3h1cM1 LYS 171 HD3 0.01 -0.01 0.00 -0.04 1.68 1.64 3h1cM1 LYS 171 HE2 0.01 -0.03 0.00 -0.04 2.99 2.94 3h1cM1 LYS 171 HE3 0.01 0.11 0.05 -0.04 2.99 3.12 3h1cM1 GLU 172 H 0.01 0.09 -0.34 -0.55 8.60 7.81 3h1cM1 GLU 172 HA 0.00 0.15 0.68 -0.75 4.29 4.36 3h1cM1 GLU 172 HB2 -0.00 0.07 0.07 -0.04 2.09 2.18 3h1cM1 GLU 172 HB3 -0.01 -0.06 0.07 -0.04 1.99 1.94 3h1cM1 GLU 172 HG2 -0.00 -0.03 -0.06 -0.04 2.34 2.21 3h1cM1 GLU 172 HG3 -0.01 -0.01 0.03 -0.04 2.34 2.31 3h1cM1 SER 173 H 0.02 0.01 -0.40 -0.55 8.46 7.55 3h1cM1 SER 173 HA 0.03 0.16 0.53 -0.75 4.49 4.46 3h1cM1 SER 173 HB2 0.03 -0.01 0.09 -0.04 3.95 4.02 3h1cM1 SER 173 HB3 0.04 0.19 0.16 -0.04 3.93 4.28 3h1cM1 LYS 174 H 0.12 0.29 0.34 -0.55 8.42 8.61 3h1cM1 LYS 174 HA 0.02 0.27 0.83 -0.75 4.32 4.69 3h1cM1 LYS 174 HB2 0.14 -0.05 0.14 -0.04 1.87 2.06 3h1cM1 LYS 174 HB3 0.02 -0.04 0.17 -0.04 1.79 1.90 3h1cM1 LEU 175 H 0.08 0.05 0.07 -0.55 8.37 8.03 3h1cM1 LEU 175 HA -0.00 0.23 0.95 -0.75 4.35 4.78 3h1cM1 LEU 175 HB2 -0.08 0.01 -0.18 -0.04 1.64 1.34 3h1cM1 LEU 175 HB3 0.07 -0.09 -0.11 -0.04 1.64 1.46 3h1cM1 LEU 175 HG 0.01 0.02 -0.19 -0.04 1.64 1.43 3h1cM1 LEU 175 HD13 -0.06 -0.01 -0.18 -0.04 0.93 0.64 3h1cM1 LEU 175 HD23 0.13 0.04 -0.38 -0.04 0.89 0.64 3h1cM1 ASP 176 H 0.01 0.57 0.23 -0.55 8.40 8.66 3h1cM1 ASP 176 HA 0.05 0.26 0.88 -0.75 4.63 5.06 3h1cM1 ASP 176 HB2 0.02 0.05 -0.10 -0.04 2.71 2.65 3h1cM1 ASP 176 HB3 0.01 0.03 0.17 -0.04 2.70 2.87 3h1cM1 LEU 177 H 0.05 0.43 0.30 -0.55 8.37 8.60 3h1cM1 LEU 177 HA 0.01 0.29 1.09 -0.75 4.35 4.99 3h1cM1 LEU 177 HB2 0.01 0.07 -0.06 -0.04 1.64 1.61 3h1cM1 LEU 177 HB3 0.01 -0.05 -0.11 -0.04 1.64 1.44 3h1cM1 LEU 177 HG 0.06 0.02 -0.01 -0.04 1.64 1.67 3h1cM1 LEU 177 HD13 0.05 0.01 -0.29 -0.04 0.93 0.65 3h1cM1 LEU 177 HD23 0.02 -0.02 -0.19 -0.04 0.89 0.66 3h1cM1 VAL 178 H 0.01 0.73 0.41 -0.55 8.24 8.83 3h1cM1 VAL 178 HA 0.03 0.25 1.17 -0.75 4.13 4.83 3h1cM1 VAL 178 HB -0.00 -0.01 0.21 -0.04 2.12 2.27 3h1cM1 VAL 178 HG13 0.01 0.00 -0.14 -0.04 0.97 0.80 3h1cM1 VAL 178 HG23 0.01 -0.02 -0.09 -0.04 0.95 0.81 3h1cM1 VAL 179 H 0.04 0.68 0.39 -0.55 8.24 8.81 3h1cM1 VAL 179 HA 0.02 0.24 1.15 -0.75 4.13 4.79 3h1cM1 VAL 179 HB 0.04 -0.05 -0.04 -0.04 2.12 2.03 3h1cM1 VAL 179 HG13 0.06 0.01 -0.05 -0.04 0.97 0.95 3h1cM1 VAL 179 HG23 0.05 0.02 -0.09 -0.04 0.95 0.89 3h1cM1 ALA 180 H 0.02 0.73 0.48 -0.55 8.40 9.09 3h1cM1 ALA 180 HA 0.03 0.35 0.95 -0.75 4.34 4.92 3h1cM1 ALA 180 HB3 0.01 -0.01 0.07 -0.04 1.41 1.44 3h1cM1 GLY 181 H 0.04 0.32 0.30 -0.55 8.43 8.54 3h1cM1 GLY 181 HA2 0.02 0.04 0.49 -0.51 4.01 4.04 3h1cM1 GLY 181 HA3 0.08 0.01 0.56 -0.51 4.01 4.14 3h1cM1 THR 182 H 0.00 0.18 0.17 -0.55 8.28 8.08 3h1cM1 THR 182 HA -0.01 0.31 0.65 -0.75 4.39 4.58 3h1cM1 THR 182 HB -0.06 0.03 0.06 -0.04 4.32 4.32 3h1cM1 THR 182 HG23 -0.03 -0.06 0.03 -0.04 1.22 1.11 3h1cM1 GLU 183 H -0.03 0.27 0.13 -0.55 8.60 8.43 3h1cM1 GLU 183 HA -0.05 0.07 0.36 -0.75 4.29 3.91 3h1cM1 GLU 183 HB2 -0.05 0.05 0.10 -0.04 2.09 2.15 3h1cM1 GLU 183 HB3 -0.03 0.00 0.06 -0.04 1.99 1.98 3h1cM1 GLU 183 HG2 -0.03 -0.00 -0.10 -0.04 2.34 2.16 3h1cM1 GLU 183 HG3 -0.06 -0.03 0.02 -0.04 2.34 2.23 3h1cM1 ALA 184 H -0.00 0.04 -0.17 -0.55 8.40 7.72 3h1cM1 ALA 184 HA 0.01 0.13 0.53 -0.75 4.34 4.26 3h1cM1 ALA 184 HB3 -0.02 -0.00 0.03 -0.04 1.41 1.38 3h1cM1 ALA 185 H 0.03 0.12 -0.14 -0.55 8.40 7.86 3h1cM1 ALA 185 HA -0.10 0.20 0.72 -0.75 4.34 4.41 3h1cM1 ALA 185 HB3 -0.06 0.03 0.02 -0.04 1.41 1.36 3h1cM1 VAL 186 H -0.23 0.10 0.09 -0.55 8.24 7.64 3h1cM1 VAL 186 HA -0.04 0.10 0.60 -0.75 4.13 4.04 3h1cM1 VAL 186 HB -0.12 -0.04 -0.08 -0.04 2.12 1.85 3h1cM1 VAL 186 HG13 -0.02 -0.01 -0.09 -0.04 0.97 0.80 3h1cM1 VAL 186 HG23 -0.49 0.01 -0.10 -0.04 0.95 0.33 3h1cM1 LEU 187 H -0.00 0.58 0.56 -0.55 8.37 8.95 3h1cM1 LEU 187 HA -0.02 0.18 1.01 -0.75 4.35 4.76 3h1cM1 LEU 187 HB2 -0.01 -0.07 0.01 -0.04 1.64 1.53 3h1cM1 LEU 187 HB3 -0.02 0.12 -0.00 -0.04 1.64 1.70 3h1cM1 LEU 187 HG -0.04 -0.09 -0.42 -0.04 1.64 1.05 3h1cM1 LEU 187 HD13 -0.06 0.02 -0.08 -0.04 0.93 0.77 3h1cM1 LEU 187 HD23 -0.05 0.03 -0.13 -0.04 0.89 0.69 3h1cM1 MET 188 H 0.01 0.65 0.39 -0.55 8.47 8.96 3h1cM1 MET 188 HA 0.00 0.28 0.90 -0.75 4.52 4.96 3h1cM1 VAL 189 H -0.01 0.77 0.40 -0.55 8.24 8.86 3h1cM1 VAL 189 HA 0.00 0.34 1.08 -0.75 4.13 4.80 3h1cM1 VAL 189 HB -0.01 -0.07 0.05 -0.04 2.12 2.05 3h1cM1 VAL 189 HG13 -0.01 0.00 -0.19 -0.04 0.97 0.74 3h1cM1 VAL 189 HG23 0.02 -0.02 -0.20 -0.04 0.95 0.70 3h1cM1 GLU 190 H -0.01 0.58 0.36 -0.55 8.60 8.98 3h1cM1 GLU 190 HA -0.05 0.16 1.03 -0.75 4.29 4.68 3h1cM1 GLU 190 HB2 -0.03 0.03 0.02 -0.04 2.09 2.07 3h1cM1 GLU 190 HB3 -0.02 -0.04 0.20 -0.04 1.99 2.08 3h1cM1 GLU 190 HG2 -0.03 -0.04 -0.02 -0.04 2.34 2.21 3h1cM1 GLU 190 HG3 -0.03 0.03 -0.15 -0.04 2.34 2.14 3h1cM1 SER 191 H -0.06 0.32 0.30 -0.55 8.46 8.48 3h1cM1 SER 191 HA -0.02 0.25 1.19 -0.75 4.49 5.16 3h1cM1 SER 191 HB2 -0.03 -0.00 -0.05 -0.04 3.95 3.83 3h1cM1 SER 191 HB3 -0.03 -0.05 -0.23 -0.04 3.93 3.58 3h1cM1 GLU 192 H -0.02 0.61 0.32 -0.55 8.60 8.96 3h1cM1 GLU 192 HA -0.05 0.21 0.68 -0.75 4.29 4.37 3h1cM1 GLU 192 HB2 -0.04 0.10 0.16 -0.04 2.09 2.27 3h1cM1 GLU 192 HB3 -0.04 -0.02 0.11 -0.04 1.99 2.00 3h1cM1 GLU 192 HG2 -0.01 0.04 0.13 -0.04 2.34 2.45 3h1cM1 GLU 192 HG3 -0.01 -0.00 0.06 -0.04 2.34 2.34 3h1cM1 ALA 193 H -0.05 0.88 0.38 -0.55 8.40 9.06 3h1cM1 ALA 193 HA -0.03 0.23 1.10 -0.75 4.34 4.88 3h1cM1 ALA 193 HB3 -0.06 -0.01 -0.06 -0.04 1.41 1.24 3h1cM1 GLN 194 H -0.04 0.68 0.28 -0.55 8.47 8.84 3h1cM1 GLN 194 HA -0.04 0.10 0.68 -0.75 4.36 4.34 3h1cM1 GLN 194 HB2 -0.02 -0.05 0.29 -0.04 2.15 2.33 3h1cM1 GLN 194 HB3 -0.02 0.02 0.18 -0.04 2.02 2.15 3h1cM1 GLN 194 HG2 -0.02 0.03 0.03 -0.04 2.40 2.40 3h1cM1 GLN 194 HG3 -0.02 0.03 0.05 -0.04 2.39 2.42 3h1cM1 GLN 194 HE21 -0.00 0.01 0.01 -0.04 6.97 6.95 3h1cM1 GLN 194 HE22 -0.01 -0.01 -0.00 -0.04 7.69 7.62 3h1cM1 LEU 195 H -0.05 0.41 -0.10 -0.55 8.37 8.08 3h1cM1 LEU 195 HA -0.04 -0.06 0.01 -0.75 4.35 3.50 3h1cM1 LEU 195 HB2 -0.03 0.18 -0.20 -0.04 1.64 1.54 3h1cM1 LEU 195 HB3 -0.03 -0.10 0.03 -0.04 1.64 1.50 3h1cM1 LEU 195 HG -0.04 -0.08 -0.16 -0.04 1.64 1.32 3h1cM1 LEU 195 HD13 -0.04 0.03 -0.21 -0.04 0.93 0.66 3h1cM1 LEU 195 HD23 -0.03 -0.03 -0.06 -0.04 0.89 0.74 3h1cM1 LEU 196 H -0.06 0.38 0.07 -0.55 8.37 8.21 3h1cM1 LEU 196 HA -0.07 0.26 0.90 -0.75 4.35 4.69 3h1cM1 LEU 196 HB2 -0.11 0.02 -0.08 -0.04 1.64 1.42 3h1cM1 LEU 196 HB3 -0.16 -0.10 -0.03 -0.04 1.64 1.31 3h1cM1 LEU 196 HG -0.10 0.08 -0.47 -0.04 1.64 1.10 3h1cM1 LEU 196 HD13 -0.29 -0.02 -0.20 -0.04 0.93 0.38 3h1cM1 LEU 196 HD23 -0.15 0.02 -0.06 -0.04 0.89 0.65 3h1cM1 SER 197 H -0.06 0.11 0.13 -0.55 8.46 8.09 3h1cM1 SER 197 HA -0.02 0.27 0.45 -0.75 4.49 4.44 3h1cM1 SER 197 HB2 -0.01 -0.07 0.17 -0.04 3.95 4.01 3h1cM1 SER 197 HB3 -0.02 0.18 0.13 -0.04 3.93 4.19 3h1cM1 GLU 198 H 0.00 0.25 0.15 -0.55 8.60 8.46 3h1cM1 GLU 198 HA 0.01 0.14 0.39 -0.75 4.29 4.08 3h1cM1 GLU 198 HB2 0.01 -0.00 0.07 -0.04 2.09 2.13 3h1cM1 GLU 198 HB3 0.03 0.03 -0.03 -0.04 1.99 1.97 3h1cM1 GLU 198 HG2 0.03 0.10 -0.07 -0.04 2.34 2.36 3h1cM1 GLU 198 HG3 0.02 0.03 -0.04 -0.04 2.34 2.31 3h1cM1 ASP 199 H 0.01 0.12 -0.12 -0.55 8.40 7.86 3h1cM1 ASP 199 HA 0.03 0.13 0.47 -0.75 4.63 4.51 3h1cM1 ASP 199 HB2 0.02 -0.01 0.02 -0.04 2.71 2.70 3h1cM1 ASP 199 HB3 0.04 0.07 -0.01 -0.04 2.70 2.76 3h1cM1 GLN 200 H -0.00 0.09 -0.33 -0.55 8.47 7.68 3h1cM1 GLN 200 HA 0.12 0.12 0.47 -0.75 4.36 4.32 3h1cM1 GLN 200 HB2 -0.12 0.05 -0.03 -0.04 2.15 2.01 3h1cM1 GLN 200 HB3 -0.30 0.04 -0.08 -0.04 2.02 1.65 3h1cM1 GLN 200 HG2 -0.02 0.07 -0.06 -0.04 2.40 2.34 3h1cM1 GLN 200 HG3 -0.01 -0.09 -0.07 -0.04 2.39 2.19 3h1cM1 GLN 200 HE21 0.04 0.06 -0.01 -0.04 6.97 7.02 3h1cM1 GLN 200 HE22 0.14 0.03 -0.04 -0.04 7.69 7.77 3h1cM1 MET 201 H -0.01 0.27 -0.37 -0.55 8.47 7.82 3h1cM1 MET 201 HA -0.02 0.08 0.35 -0.75 4.52 4.18 3h1cM1 MET 201 HB2 -0.02 0.13 -0.07 -0.04 2.15 2.14 3h1cM1 MET 201 HB3 0.01 0.04 0.06 -0.04 2.03 2.10 3h1cM1 MET 201 HG2 -0.01 0.02 -0.14 -0.04 2.63 2.46 3h1cM1 MET 201 HG3 0.01 -0.02 -0.29 -0.04 2.56 2.21 3h1cM1 MET 201 HE3 -0.06 0.01 -0.26 -0.04 2.10 1.75 3h1cM1 LEU 202 H 0.03 0.47 -0.17 -0.55 8.37 8.15 3h1cM1 LEU 202 HA 0.03 0.08 0.45 -0.75 4.35 4.16 3h1cM1 LEU 202 HB2 0.04 0.05 0.01 -0.04 1.64 1.70 3h1cM1 LEU 202 HB3 0.02 0.07 0.08 -0.04 1.64 1.77 3h1cM1 LEU 202 HG 0.00 -0.03 -0.21 -0.04 1.64 1.36 3h1cM1 LEU 202 HD13 0.00 -0.01 -0.08 -0.04 0.93 0.80 3h1cM1 LEU 202 HD23 -0.00 0.01 -0.09 -0.04 0.89 0.77 3h1cM1 GLY 203 H 0.04 0.37 -0.31 -0.55 8.43 7.99 3h1cM1 GLY 203 HA2 -0.02 0.02 0.34 -0.51 4.01 3.84 3h1cM1 GLY 203 HA3 0.04 0.15 0.25 -0.51 4.01 3.94 3h1cM1 ALA 204 H -0.02 0.33 -0.53 -0.55 8.40 7.63 3h1cM1 ALA 204 HA -0.46 0.06 0.46 -0.75 4.34 3.64 3h1cM1 ALA 204 HB3 0.10 0.05 -0.05 -0.04 1.41 1.48 3h1cM1 VAL 205 H -0.01 0.29 -0.37 -0.55 8.24 7.61 3h1cM1 VAL 205 HA 0.03 0.06 0.42 -0.75 4.13 3.89 3h1cM1 VAL 205 HB 0.01 0.12 0.04 -0.04 2.12 2.26 3h1cM1 VAL 205 HG13 0.01 -0.01 -0.14 -0.04 0.97 0.79 3h1cM1 VAL 205 HG23 0.02 0.06 -0.04 -0.04 0.95 0.96 3h1cM1 VAL 206 H -0.01 0.40 -0.19 -0.55 8.24 7.89 3h1cM1 VAL 206 HA 0.05 0.06 0.39 -0.75 4.13 3.87 3h1cM1 VAL 206 HB 0.01 0.09 0.05 -0.04 2.12 2.22 3h1cM1 VAL 206 HG13 0.04 -0.00 -0.10 -0.04 0.97 0.87 3h1cM1 VAL 206 HG23 -0.01 0.06 -0.02 -0.04 0.95 0.94 3h1cM1 PHE 207 H 0.03 0.40 -0.28 -0.55 8.34 7.94 3h1cM1 PHE 207 HA -0.07 0.05 0.37 -0.75 4.62 4.22 3h1cM1 PHE 207 HB2 -0.36 0.09 0.10 -0.04 3.15 2.93 3h1cM1 PHE 207 HB3 -0.30 0.06 0.07 -0.04 3.06 2.85 3h1cM1 PHE 207 HD2 -0.03 0.02 -0.13 -0.04 7.28 7.10 3h1cM1 PHE 207 HE2 0.04 -0.02 -0.17 -0.04 7.38 7.19 3h1cM1 PHE 207 HZ 0.03 0.01 -0.07 -0.04 7.32 7.25 3h1cM1 GLY 208 H 0.08 0.37 -0.39 -0.55 8.43 7.94 3h1cM1 GLY 208 HA2 -0.06 0.02 0.37 -0.51 4.01 3.84 3h1cM1 GLY 208 HA3 0.06 0.09 0.19 -0.51 4.01 3.84 3h1cM1 HIS 209 H 0.10 0.45 -0.23 -0.55 8.41 8.19 3h1cM1 HIS 209 HA -0.02 0.05 0.29 -0.75 4.63 4.19 3h1cM1 HIS 209 HB2 -0.02 -0.02 -0.03 -0.04 3.26 3.16 3h1cM1 HIS 209 HB3 -0.03 0.05 0.06 -0.04 3.20 3.24 3h1cM1 HIS 209 HD2 -0.03 -0.02 -0.22 -0.04 6.97 6.65 3h1cM1 HIS 209 HE1 -0.03 0.27 -0.49 -0.04 7.75 7.45 3h1cM1 GLU 210 H -0.04 0.43 -0.27 -0.55 8.60 8.17 3h1cM1 GLU 210 HA -0.20 0.12 0.47 -0.75 4.29 3.93 3h1cM1 GLU 210 HB2 -0.10 0.09 0.06 -0.04 2.09 2.10 3h1cM1 GLU 210 HB3 -0.08 -0.04 -0.01 -0.04 1.99 1.82 3h1cM1 GLU 210 HG2 -0.00 -0.00 -0.02 -0.04 2.34 2.28 3h1cM1 GLU 210 HG3 0.07 0.05 0.00 -0.04 2.34 2.42 3h1cM1 GLN 211 H -0.20 0.28 -0.36 -0.55 8.47 7.64 3h1cM1 GLN 211 HA -0.12 0.09 0.54 -0.75 4.36 4.11 3h1cM1 GLN 211 HB2 -0.25 0.07 0.12 -0.04 2.15 2.05 3h1cM1 GLN 211 HB3 -0.19 -0.08 0.04 -0.04 2.02 1.75 3h1cM1 GLN 211 HG2 -0.75 0.29 0.11 -0.04 2.40 2.00 3h1cM1 GLN 211 HG3 -1.02 -0.08 0.00 -0.04 2.39 1.25 3h1cM1 GLN 211 HE21 -0.12 -0.02 -0.03 -0.04 6.97 6.76 3h1cM1 GLN 211 HE22 -0.35 0.02 -0.04 -0.04 7.69 7.28 3h1cM1 GLN 212 H -0.05 0.46 -0.24 -0.55 8.47 8.10 3h1cM1 GLN 212 HA 0.18 0.04 0.47 -0.75 4.36 4.30 3h1cM1 GLN 212 HB2 -0.02 -0.19 -0.02 -0.04 2.15 1.88 3h1cM1 GLN 212 HB3 0.08 0.04 -0.12 -0.04 2.02 1.98 3h1cM1 GLN 212 HG2 -0.07 0.14 0.06 -0.04 2.40 2.49 3h1cM1 GLN 212 HG3 -0.10 0.04 -0.25 -0.04 2.39 2.04 3h1cM1 GLN 212 HE21 0.09 -0.18 -0.21 -0.04 6.97 6.63 3h1cM1 GLN 212 HE22 0.07 0.16 -0.12 -0.04 7.69 7.76 3h1cM1 GLN 213 H -0.09 0.27 -0.82 -0.55 8.47 7.28 3h1cM1 GLN 213 HA -0.13 0.07 0.36 -0.75 4.36 3.91 3h1cM1 GLN 213 HB2 -0.10 0.18 0.02 -0.04 2.15 2.21 3h1cM1 GLN 213 HB3 -0.10 -0.05 -0.01 -0.04 2.02 1.82 3h1cM1 GLN 213 HG2 -0.29 0.20 0.04 -0.04 2.40 2.31 3h1cM1 GLN 213 HG3 -0.17 -0.01 0.05 -0.04 2.39 2.21 3h1cM1 GLN 213 HE21 -0.15 -0.02 0.02 -0.04 6.97 6.78 3h1cM1 GLN 213 HE22 -0.54 0.10 -0.10 -0.04 7.69 7.10 3h1cM1 VAL 214 H -0.00 0.33 -0.29 -0.55 8.24 7.72 3h1cM1 VAL 214 HA -0.10 0.08 0.41 -0.75 4.13 3.78 3h1cM1 VAL 214 HB 0.20 0.00 0.02 -0.04 2.12 2.31 3h1cM1 VAL 214 HG13 0.05 0.01 -0.06 -0.04 0.97 0.93 3h1cM1 VAL 214 HG23 0.07 0.04 0.08 -0.04 0.95 1.10 3h1cM1 VAL 215 H -0.21 0.23 -0.29 -0.55 8.24 7.43 3h1cM1 VAL 215 HA -0.56 0.05 0.42 -0.75 4.13 3.29 3h1cM1 VAL 215 HB -0.22 0.15 0.13 -0.04 2.12 2.15 3h1cM1 VAL 215 HG13 -0.07 -0.00 -0.03 -0.04 0.97 0.83 3h1cM1 VAL 215 HG23 -0.63 -0.01 0.06 -0.04 0.95 0.33 3h1cM1 ILE 216 H -0.16 0.29 -0.23 -0.55 8.25 7.59 3h1cM1 ILE 216 HA -0.12 0.06 0.30 -0.75 4.18 3.67 3h1cM1 ILE 216 HB -0.11 0.10 0.03 -0.04 1.89 1.87 3h1cM1 ILE 216 HG12 -0.08 -0.02 -0.35 -0.04 1.49 1.00 3h1cM1 ILE 216 HG13 -0.11 0.05 -0.03 -0.04 1.21 1.07 3h1cM1 ILE 216 HG23 -0.07 -0.01 -0.09 -0.04 0.93 0.72 3h1cM1 ILE 216 HD13 -0.10 -0.02 -0.20 -0.04 0.88 0.52 3h1cM1 GLN 217 H -0.17 0.49 -0.21 -0.55 8.47 8.04 3h1cM1 GLN 217 HA -0.11 0.06 0.45 -0.75 4.36 4.01 3h1cM1 GLN 217 HB2 -0.15 0.06 0.11 -0.04 2.15 2.13 3h1cM1 GLN 217 HB3 -0.10 -0.04 0.01 -0.04 2.02 1.85 3h1cM1 GLN 217 HG2 -0.08 -0.03 0.01 -0.04 2.40 2.26 3h1cM1 GLN 217 HG3 -0.10 0.25 0.06 -0.04 2.39 2.56 3h1cM1 GLN 217 HE21 -0.05 -0.03 -0.04 -0.04 6.97 6.81 3h1cM1 GLN 217 HE22 -0.06 0.01 -0.03 -0.04 7.69 7.57 3h1cM1 ASN 218 H -0.35 0.35 -0.33 -0.55 8.53 7.66 3h1cM1 ASN 218 HA -0.19 0.09 0.59 -0.75 4.76 4.50 3h1cM1 ASN 218 HB2 -1.04 0.10 0.09 -0.04 2.88 1.99 3h1cM1 ASN 218 HB3 -0.48 -0.03 -0.06 -0.04 2.79 2.18 3h1cM1 ASN 218 HD21 -0.20 -0.09 -0.03 -0.04 7.03 6.66 3h1cM1 ASN 218 HD22 -0.43 0.50 0.10 -0.04 7.74 7.86 3h1cM1 ILE 219 H -0.20 0.42 -0.16 -0.55 8.25 7.76 3h1cM1 ILE 219 HA -0.07 0.05 0.54 -0.75 4.18 3.94 3h1cM1 ILE 219 HB -0.10 0.08 0.11 -0.04 1.89 1.94 3h1cM1 ILE 219 HG12 -0.05 -0.06 -0.02 -0.04 1.49 1.32 3h1cM1 ILE 219 HG13 -0.11 0.05 0.01 -0.04 1.21 1.12 3h1cM1 ILE 219 HG23 -0.06 0.01 -0.17 -0.04 0.93 0.66 3h1cM1 ILE 219 HD13 -0.07 -0.03 -0.14 -0.04 0.88 0.60 3h1cM1 ASN 220 H -0.09 0.45 -0.14 -0.55 8.53 8.21 3h1cM1 ASN 220 HA -0.05 0.07 0.38 -0.75 4.76 4.41 3h1cM1 ASN 220 HB2 -0.07 0.09 0.09 -0.04 2.88 2.96 3h1cM1 ASN 220 HB3 -0.05 -0.02 0.01 -0.04 2.79 2.69 3h1cM1 ASN 220 HD21 -0.06 -0.06 0.02 -0.04 7.03 6.89 3h1cM1 ASN 220 HD22 -0.07 -0.04 -0.02 -0.04 7.74 7.57 3h1cM1 GLU 221 H -0.07 0.23 -0.49 -0.55 8.60 7.72 3h1cM1 GLU 221 HA -0.03 0.08 0.56 -0.75 4.29 4.14 3h1cM1 GLU 221 HB2 -0.06 0.12 0.06 -0.04 2.09 2.18 3h1cM1 GLU 221 HB3 -0.03 -0.04 0.03 -0.04 1.99 1.91 3h1cM1 GLU 221 HG2 -0.07 0.30 0.11 -0.04 2.34 2.65 3h1cM1 GLU 221 HG3 -0.05 -0.06 0.03 -0.04 2.34 2.22 3h1cM1 LEU 222 H -0.04 0.34 -0.33 -0.55 8.37 7.79 3h1cM1 LEU 222 HA -0.01 0.04 0.53 -0.75 4.35 4.16 3h1cM1 LEU 222 HB2 -0.02 0.13 0.16 -0.04 1.64 1.87 3h1cM1 LEU 222 HB3 -0.02 0.09 0.01 -0.04 1.64 1.68 3h1cM1 LEU 222 HG 0.01 -0.03 0.01 -0.04 1.64 1.59 3h1cM1 LEU 222 HD13 0.03 0.00 -0.04 -0.04 0.93 0.88 3h1cM1 LEU 222 HD23 0.00 -0.02 -0.07 -0.04 0.89 0.76 3h1cM1 VAL 223 H -0.03 0.36 -0.22 -0.55 8.24 7.80 3h1cM1 VAL 223 HA -0.02 0.07 0.42 -0.75 4.13 3.85 3h1cM1 VAL 223 HB -0.03 0.11 0.05 -0.04 2.12 2.22 3h1cM1 VAL 223 HG13 -0.02 0.02 -0.06 -0.04 0.97 0.86 3h1cM1 VAL 223 HG23 -0.04 0.07 -0.11 -0.04 0.95 0.82 3h1cM1 LYS 224 H -0.02 0.22 -0.39 -0.55 8.42 7.67 3h1cM1 LYS 224 HA -0.00 0.11 0.51 -0.75 4.32 4.18 3h1cM1 LYS 224 HB2 -0.01 0.12 0.09 -0.04 1.87 2.03 3h1cM1 LYS 224 HB3 -0.01 -0.05 0.07 -0.04 1.79 1.76 3h1cM1 LYS 224 HG2 -0.01 -0.02 0.02 -0.04 1.46 1.41 3h1cM1 LYS 224 HG3 -0.02 0.14 0.05 -0.04 1.46 1.60 3h1cM1 LYS 224 HD2 -0.02 -0.01 0.03 -0.04 1.69 1.64 3h1cM1 LYS 224 HD3 -0.01 -0.05 0.02 -0.04 1.68 1.60 3h1cM1 LYS 224 HE2 -0.02 0.05 -0.02 -0.04 2.99 2.96 3h1cM1 LYS 224 HE3 -0.02 -0.06 -0.02 -0.04 2.99 2.86 3h1cM1 GLU 225 H -0.01 0.09 -0.56 -0.55 8.60 7.57 3h1cM1 GLU 225 HA 0.00 0.13 0.78 -0.75 4.29 4.44 3h1cM1 GLU 225 HB2 0.00 -0.00 0.17 -0.04 2.09 2.22 3h1cM1 GLU 225 HB3 0.01 -0.05 -0.01 -0.04 1.99 1.90 3h1cM1 GLU 225 HG2 0.00 -0.04 -0.03 -0.04 2.34 2.24 3h1cM1 GLU 225 HG3 -0.00 0.18 -0.01 -0.04 2.34 2.46 3h1cM1 ALA 226 H 0.00 0.69 0.13 -0.55 8.40 8.68 3h1cM1 ALA 226 HA 0.01 0.20 0.83 -0.75 4.34 4.62 3h1cM1 ALA 226 HB3 0.01 -0.03 0.04 -0.04 1.41 1.39 3h1cM1 GLY 227 H 0.01 0.19 -0.25 -0.55 8.43 7.83 3h1cM1 GLY 227 HA2 0.00 0.02 0.66 -0.51 4.01 4.18 3h1cM1 GLY 227 HA3 0.00 0.16 0.38 -0.51 4.01 4.05 3h1cM1 LYS 228 H 0.03 0.39 0.25 -0.55 8.42 8.54 3h1cM1 LYS 228 HA 0.05 0.02 0.57 -0.75 4.32 4.20 3h1cM1 LYS 228 HB2 0.08 0.17 0.09 -0.04 1.87 2.17 3h1cM1 LYS 228 HB3 0.11 -0.01 0.07 -0.04 1.79 1.92 3h1cM1 LYS 228 HG2 0.05 -0.10 0.08 -0.04 1.46 1.46 3h1cM1 LYS 228 HG3 0.04 0.01 0.14 -0.04 1.46 1.61 3h1cM1 LYS 228 HD2 0.09 0.21 0.23 -0.04 1.69 2.18 3h1cM1 LYS 228 HD3 0.10 -0.10 0.12 -0.04 1.68 1.75 3h1cM1 LYS 228 HE2 0.05 -0.12 0.08 -0.04 2.99 2.95 3h1cM1 LYS 228 HE3 0.04 -0.08 0.10 -0.04 2.99 3.02 3h1cM1 PRO 229 HA 0.06 -0.02 0.38 -0.51 4.44 4.35 3h1cM1 PRO 229 HB2 0.07 0.06 -0.04 -0.04 2.28 2.32 3h1cM1 PRO 229 HB3 0.05 -0.03 0.11 -0.04 2.02 2.10 3h1cM1 PRO 229 HG2 0.06 0.02 0.08 -0.04 2.03 2.15 3h1cM1 PRO 229 HG3 0.04 -0.02 0.09 -0.04 2.03 2.09 3h1cM1 PRO 229 HD2 0.06 0.08 0.24 -0.04 3.68 4.02 3h1cM1 PRO 229 HD3 0.04 0.13 0.19 -0.04 3.65 3.98 3h1cM1 ARG 230 H 0.09 0.01 0.15 -0.55 8.46 8.15 3h1cM1 ARG 230 HA 0.18 0.12 0.45 -0.75 4.34 4.34 3h1cM1 ARG 230 HB2 0.09 -0.11 0.11 -0.04 1.90 1.96 3h1cM1 ARG 230 HB3 0.13 0.08 0.02 -0.04 1.80 1.98 3h1cM1 ARG 230 HG2 0.05 -0.04 0.03 -0.04 1.67 1.67 3h1cM1 ARG 230 HG3 0.05 0.09 0.05 -0.04 1.67 1.82 3h1cM1 TRP 231 H 0.43 0.63 0.23 -0.55 7.97 8.71 3h1cM1 TRP 231 HA 0.09 0.02 0.43 -0.75 4.62 4.40 3h1cM1 TRP 231 HB2 0.09 0.09 0.16 -0.04 3.23 3.53 3h1cM1 TRP 231 HB3 0.20 -0.06 -0.11 -0.04 3.23 3.22 3h1cM1 TRP 231 HD1 0.05 0.15 -0.14 -0.04 7.22 7.23 3h1cM1 TRP 231 HE1 0.04 0.15 -0.06 -0.04 10.20 10.28 3h1cM1 TRP 231 HE3 0.25 -0.03 -0.07 -0.04 7.59 7.71 3h1cM1 TRP 231 HZ2 0.07 0.02 -0.06 -0.04 7.44 7.42 3h1cM1 TRP 231 HZ3 0.19 0.10 -0.08 -0.04 7.13 7.31 3h1cM1 TRP 231 HH2 0.10 -0.02 -0.78 -0.04 7.19 6.45 3h1cM1 ASP 232 H 0.11 0.13 0.12 -0.55 8.40 8.22 3h1cM1 ASP 232 HA 0.17 0.11 0.58 -0.75 4.63 4.73 3h1cM1 ASP 232 HB2 0.06 0.05 0.13 -0.04 2.71 2.90 3h1cM1 ASP 232 HB3 0.04 -0.03 0.23 -0.04 2.70 2.90 3h1cM1 TRP 233 H 0.39 0.49 0.12 -0.55 7.97 8.42 3h1cM1 TRP 233 HA 0.14 0.12 0.92 -0.75 4.62 5.05 3h1cM1 TRP 233 HB2 0.38 -0.02 -0.18 -0.04 3.23 3.37 3h1cM1 TRP 233 HB3 0.22 0.03 0.04 -0.04 3.23 3.48 3h1cM1 TRP 233 HD1 0.30 0.04 -0.01 -0.04 7.22 7.52 3h1cM1 TRP 233 HE1 0.06 -0.09 0.01 -0.04 10.20 10.14 3h1cM1 TRP 233 HE3 0.12 0.02 -0.35 -0.04 7.59 7.34 3h1cM1 TRP 233 HZ2 0.09 0.16 -0.19 -0.04 7.44 7.47 3h1cM1 TRP 233 HZ3 0.09 -0.01 -0.23 -0.04 7.13 6.93 3h1cM1 TRP 233 HH2 0.11 -0.05 -0.43 -0.04 7.19 6.78 3h1cM1 GLN 234 H -0.61 0.21 0.12 -0.55 8.47 7.64 3h1cM1 GLN 234 HA -0.12 0.21 0.89 -0.75 4.36 4.59 3h1cM1 GLN 234 HB2 -0.23 -0.05 0.05 -0.04 2.15 1.88 3h1cM1 GLN 234 HB3 -0.17 0.08 -0.00 -0.04 2.02 1.89 3h1cM1 GLN 234 HG2 -0.02 -0.04 -0.40 -0.04 2.40 1.90 3h1cM1 GLN 234 HG3 -0.05 -0.05 -0.07 -0.04 2.39 2.17 3h1cM1 GLN 234 HE21 0.04 -0.03 0.01 -0.04 6.97 6.94 3h1cM1 GLN 234 HE22 0.05 -0.02 -0.09 -0.04 7.69 7.59 3h1cM1 PRO 235 HA -0.55 0.06 0.43 -0.51 4.44 3.87 3h1cM1 PRO 235 HB2 -0.01 0.01 -0.09 -0.04 2.28 2.16 3h1cM1 PRO 235 HB3 0.13 0.10 0.08 -0.04 2.02 2.29 3h1cM1 PRO 235 HG2 0.11 0.01 0.04 -0.04 2.03 2.15 3h1cM1 PRO 235 HG3 0.39 0.06 -0.01 -0.04 2.03 2.43 3h1cM1 PRO 235 HD2 -0.05 0.06 0.16 -0.04 3.68 3.81 3h1cM1 PRO 235 HD3 0.05 0.21 0.19 -0.04 3.65 4.06 3h1cM1 GLU 236 H -0.08 0.10 0.15 -0.55 8.60 8.22 3h1cM1 GLU 236 HA -0.11 0.10 0.46 -0.75 4.29 3.99 3h1cM1 GLU 236 HB2 -0.02 0.02 0.16 -0.04 2.09 2.21 3h1cM1 GLU 236 HB3 0.00 -0.04 0.11 -0.04 1.99 2.02 3h1cM1 GLU 236 HG2 -0.00 -0.09 0.02 -0.04 2.34 2.23 3h1cM1 GLU 236 HG3 -0.02 0.12 -0.08 -0.04 2.34 2.32 3h1cM1 PRO 237 HA -0.03 0.03 0.38 -0.51 4.44 4.31 3h1cM1 PRO 237 HB2 -0.02 -0.02 -0.06 -0.04 2.28 2.14 3h1cM1 PRO 237 HB3 -0.03 0.05 0.10 -0.04 2.02 2.09 3h1cM1 PRO 237 HG2 -0.03 -0.05 0.09 -0.04 2.03 2.00 3h1cM1 PRO 237 HG3 -0.04 0.04 0.08 -0.04 2.03 2.07 3h1cM1 PRO 237 HD2 -0.06 0.02 0.24 -0.04 3.68 3.83 3h1cM1 PRO 237 HD3 -0.08 0.25 0.21 -0.04 3.65 3.99 3h1cM1 VAL 238 H -0.01 0.13 0.16 -0.55 8.24 7.97 3h1cM1 VAL 238 HA 0.01 0.06 0.48 -0.75 4.13 3.92 3h1cM1 VAL 238 HB 0.01 0.10 0.11 -0.04 2.12 2.30 3h1cM1 VAL 238 HG13 0.00 -0.01 0.10 -0.04 0.97 1.03 3h1cM1 VAL 238 HG23 0.01 -0.02 -0.13 -0.04 0.95 0.77 3h1cM1 ASN 239 H 0.01 0.20 0.20 -0.55 8.53 8.38 3h1cM1 ASN 239 HA 0.00 0.17 0.84 -0.75 4.76 5.01 3h1cM1 ASN 239 HB2 0.00 0.22 0.07 -0.04 2.88 3.13 3h1cM1 ASN 239 HB3 0.01 -0.05 0.21 -0.04 2.79 2.92 3h1cM1 ASN 239 HD21 0.00 0.06 -0.05 -0.04 7.03 7.01 3h1cM1 ASN 239 HD22 0.00 0.04 0.00 -0.04 7.74 7.75 3h1cM1 GLU 240 H 0.00 0.32 0.17 -0.55 8.60 8.55 3h1cM1 GLU 240 HA 0.00 0.12 0.50 -0.75 4.29 4.15 3h1cM1 GLU 240 HB2 0.00 0.02 0.06 -0.04 2.09 2.14 3h1cM1 GLU 240 HB3 0.00 0.04 0.05 -0.04 1.99 2.04 3h1cM1 GLU 240 HG2 0.00 0.05 -0.00 -0.04 2.34 2.35 3h1cM1 GLU 240 HG3 0.00 0.01 -0.06 -0.04 2.34 2.25 3h1cM1 ALA 241 H 0.00 0.09 -0.18 -0.55 8.40 7.76 3h1cM1 ALA 241 HA 0.00 0.17 0.51 -0.75 4.34 4.27 3h1cM1 ALA 241 HB3 0.00 0.03 0.05 -0.04 1.41 1.45 3h1cM1 LEU 242 H 0.01 0.17 -0.28 -0.55 8.37 7.73 3h1cM1 LEU 242 HA 0.01 0.18 0.94 -0.75 4.35 4.72 3h1cM1 LEU 242 HB2 0.01 0.07 0.08 -0.04 1.64 1.76 3h1cM1 LEU 242 HB3 0.01 0.01 0.04 -0.04 1.64 1.66 3h1cM1 LEU 242 HG 0.01 -0.04 -0.15 -0.04 1.64 1.42 3h1cM1 LEU 242 HD13 0.01 0.01 -0.01 -0.04 0.93 0.90 3h1cM1 LEU 242 HD23 0.01 0.02 0.03 -0.04 0.89 0.90 3h1cM1 ASN 243 H 0.01 0.33 0.01 -0.55 8.53 8.34 3h1cM1 ASN 243 HA 0.01 0.08 0.62 -0.75 4.76 4.72 3h1cM1 ASN 243 HB2 0.01 0.02 0.11 -0.04 2.88 2.98 3h1cM1 ASN 243 HB3 0.01 0.03 0.17 -0.04 2.79 2.96 3h1cM1 ASN 243 HD21 0.02 0.00 0.00 -0.04 7.03 7.01 3h1cM1 ASN 243 HD22 0.01 0.02 -0.02 -0.04 7.74 7.72 3h1cM1 ALA 244 H 0.01 -0.10 -0.74 -0.55 8.40 7.02 3h1cM1 ALA 244 HA 0.01 0.22 0.73 -0.75 4.34 4.55 3h1cM1 ALA 244 HB3 0.00 0.04 -0.03 -0.04 1.41 1.38 3h1cM1 ARG 245 H 0.01 0.03 -0.14 -0.55 8.46 7.80 3h1cM1 ARG 245 HA 0.01 0.15 0.54 -0.75 4.34 4.29 3h1cM1 ARG 245 HB2 0.01 -0.01 0.27 -0.04 1.90 2.12 3h1cM1 ARG 245 HB3 0.01 0.01 0.01 -0.04 1.80 1.79 3h1cM1 ARG 245 HG2 0.01 -0.01 0.06 -0.04 1.67 1.69 3h1cM1 ARG 245 HG3 0.00 0.05 0.09 -0.04 1.67 1.77 3h1cM1 ARG 245 HD2 0.00 -0.02 0.05 -0.04 3.22 3.21 3h1cM1 ARG 245 HD3 0.01 0.06 0.10 -0.04 3.22 3.34 3h1cM1 VAL 246 H 0.01 0.40 0.05 -0.55 8.24 8.15 3h1cM1 VAL 246 HA 0.01 0.12 0.59 -0.75 4.13 4.09 3h1cM1 VAL 246 HB 0.02 0.09 0.07 -0.04 2.12 2.25 3h1cM1 VAL 246 HG13 0.02 -0.00 -0.03 -0.04 0.97 0.92 3h1cM1 VAL 246 HG23 0.02 0.02 0.08 -0.04 0.95 1.03 3h1cM1 ALA 247 H 0.01 0.14 -0.47 -0.55 8.40 7.54 3h1cM1 ALA 247 HA 0.01 -0.02 0.48 -0.75 4.34 4.06 3h1cM1 ALA 247 HB3 0.01 0.06 0.03 -0.04 1.41 1.47 3h1cM1 ALA 248 H 0.01 -0.02 -1.01 -0.55 8.40 6.83 3h1cM1 ALA 248 HA 0.01 0.14 0.71 -0.75 4.34 4.44 3h1cM1 ALA 248 HB3 0.01 0.07 0.00 -0.04 1.41 1.45 3h1cM1 LEU 249 H 0.01 0.08 0.08 -0.55 8.37 8.00 3h1cM1 LEU 249 HA 0.01 0.20 0.82 -0.75 4.35 4.62 3h1cM1 LEU 249 HB2 0.01 0.09 0.13 -0.04 1.64 1.82 3h1cM1 LEU 249 HB3 0.01 -0.00 0.14 -0.04 1.64 1.75 3h1cM1 LEU 249 HG 0.01 -0.02 0.09 -0.04 1.64 1.68 3h1cM1 LEU 249 HD13 0.01 0.01 0.06 -0.04 0.93 0.96 3h1cM1 LEU 249 HD23 0.01 -0.00 0.04 -0.04 0.89 0.90 3h1cM1 ALA 250 H 0.01 0.20 0.19 -0.55 8.40 8.25 3h1cM1 ALA 250 HA 0.01 0.23 0.95 -0.75 4.34 4.78 3h1cM1 ALA 250 HB3 0.02 0.04 0.02 -0.04 1.41 1.45 3h1cM1 GLU 251 H 0.01 0.08 -0.02 -0.55 8.60 8.12 3h1cM1 GLU 251 HA 0.02 0.08 0.29 -0.75 4.29 3.92 3h1cM1 GLU 251 HB2 0.01 -0.05 0.07 -0.04 2.09 2.07 3h1cM1 GLU 251 HB3 0.01 0.11 -0.12 -0.04 1.99 1.94 3h1cM1 GLU 251 HG2 0.01 -0.00 -0.21 -0.04 2.34 2.09 3h1cM1 GLU 251 HG3 0.00 -0.03 0.02 -0.04 2.34 2.30 3h1cM1 ALA 252 H 0.01 0.13 -0.38 -0.55 8.40 7.61 3h1cM1 ALA 252 HA 0.01 0.12 0.43 -0.75 4.34 4.14 3h1cM1 ALA 252 HB3 0.01 0.04 -0.03 -0.04 1.41 1.38 3h1cM1 ARG 253 H 0.01 0.14 -0.41 -0.55 8.46 7.65 3h1cM1 ARG 253 HA 0.01 0.11 0.54 -0.75 4.34 4.25 3h1cM1 ARG 253 HB2 0.01 0.09 0.10 -0.04 1.90 2.05 3h1cM1 ARG 253 HB3 0.00 -0.01 0.03 -0.04 1.80 1.77 3h1cM1 ARG 253 HG2 0.00 -0.02 -0.06 -0.04 1.67 1.56 3h1cM1 ARG 253 HG3 0.01 0.07 -0.02 -0.04 1.67 1.68 3h1cM1 ARG 253 HD2 -0.00 -0.03 0.01 -0.04 3.22 3.16 3h1cM1 ARG 253 HD3 0.00 0.00 0.01 -0.04 3.22 3.19 3h1cM1 LEU 254 H 0.03 0.53 -0.10 -0.55 8.37 8.29 3h1cM1 LEU 254 HA 0.04 0.04 0.50 -0.75 4.35 4.18 3h1cM1 LEU 254 HB2 0.05 0.07 0.02 -0.04 1.64 1.74 3h1cM1 LEU 254 HB3 0.14 -0.01 -0.04 -0.04 1.64 1.69 3h1cM1 LEU 254 HG 0.03 0.02 -0.02 -0.04 1.64 1.63 3h1cM1 LEU 254 HD13 0.04 -0.03 -0.17 -0.04 0.93 0.73 3h1cM1 LEU 254 HD23 0.09 -0.01 0.01 -0.04 0.89 0.93 3h1cM1 SER 255 H 0.04 0.29 -0.41 -0.55 8.46 7.83 3h1cM1 SER 255 HA 0.07 0.07 0.45 -0.75 4.49 4.33 3h1cM1 SER 255 HB2 0.02 0.11 0.05 -0.04 3.95 4.10 3h1cM1 SER 255 HB3 0.02 -0.00 -0.01 -0.04 3.93 3.90 3h1cM1 ASP 256 H 0.02 0.24 -0.27 -0.55 8.40 7.85 3h1cM1 ASP 256 HA 0.02 0.13 0.54 -0.75 4.63 4.57 3h1cM1 ASP 256 HB2 0.00 0.10 0.07 -0.04 2.71 2.84 3h1cM1 ASP 256 HB3 0.00 -0.03 0.04 -0.04 2.70 2.66 3h1cM1 ALA 257 H 0.01 0.17 -0.46 -0.55 8.40 7.58 3h1cM1 ALA 257 HA -0.08 0.05 0.50 -0.75 4.34 4.06 3h1cM1 ALA 257 HB3 -0.14 0.04 0.06 -0.04 1.41 1.34 3h1cM1 TYR 258 H 0.13 0.37 -0.25 -0.55 8.29 8.00 3h1cM1 TYR 258 HA -0.02 0.11 0.66 -0.75 4.56 4.55 3h1cM1 TYR 258 HB2 -0.03 0.11 0.07 -0.04 3.06 3.17 3h1cM1 TYR 258 HB3 -0.02 -0.05 0.16 -0.04 2.98 3.03 3h1cM1 TYR 258 HD2 -0.04 0.14 0.05 -0.04 7.15 7.25 3h1cM1 TYR 258 HE2 -0.10 -0.07 0.00 -0.04 6.85 6.64 3h1cM1 ARG 259 H 0.03 0.15 -0.76 -0.55 8.46 7.33 3h1cM1 ARG 259 HA 0.05 0.20 0.76 -0.75 4.34 4.59 3h1cM1 ARG 259 HB2 0.03 0.05 0.03 -0.04 1.90 1.97 3h1cM1 ARG 259 HB3 0.02 0.03 -0.02 -0.04 1.80 1.79 3h1cM1 ARG 259 HG2 0.02 -0.02 0.06 -0.04 1.67 1.68 3h1cM1 ARG 259 HG3 0.02 0.03 0.02 -0.04 1.67 1.71 3h1cM1 ARG 259 HD2 0.01 -0.03 -0.02 -0.04 3.22 3.13 3h1cM1 ARG 259 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.14 3h1cM1 ILE 260 H -0.01 0.15 -0.15 -0.55 8.25 7.69 3h1cM1 ILE 260 HA 0.01 -0.01 0.48 -0.75 4.18 3.90 3h1cM1 ILE 260 HB -0.03 0.05 0.05 -0.04 1.89 1.92 3h1cM1 ILE 260 HG12 -0.01 -0.05 0.02 -0.04 1.49 1.41 3h1cM1 ILE 260 HG13 -0.02 0.08 0.12 -0.04 1.21 1.34 3h1cM1 ILE 260 HG23 0.00 -0.05 -0.11 -0.04 0.93 0.73 3h1cM1 ILE 260 HD13 -0.05 0.02 0.06 -0.04 0.88 0.88 3h1cM1 THR 261 H 0.02 0.04 0.18 -0.55 8.28 7.96 3h1cM1 THR 261 HA 0.03 0.22 0.36 -0.75 4.39 4.25 3h1cM1 THR 261 HB 0.03 -0.03 0.06 -0.04 4.32 4.33 3h1cM1 THR 261 HG23 0.02 0.02 0.00 -0.04 1.22 1.23 3h1cM1 ASP 262 H 0.02 0.04 0.03 -0.55 8.40 7.95 3h1cM1 ASP 262 HA 0.03 0.08 0.46 -0.75 4.63 4.45 3h1cM1 ASP 262 HB2 0.02 0.10 0.12 -0.04 2.71 2.90 3h1cM1 ASP 262 HB3 0.02 -0.06 0.06 -0.04 2.70 2.68 3h1cM1 LYS 263 H 0.04 0.15 0.22 -0.55 8.42 8.28 3h1cM1 LYS 263 HA 0.15 0.16 0.47 -0.75 4.32 4.34 3h1cM1 LYS 263 HB2 0.04 -0.00 0.19 -0.04 1.87 2.06 3h1cM1 LYS 263 HB3 -0.01 0.03 0.18 -0.04 1.79 1.95 3h1cM1 LYS 263 HG2 -0.23 -0.00 -0.03 -0.04 1.46 1.16 3h1cM1 LYS 263 HG3 0.06 -0.06 0.10 -0.04 1.46 1.53 3h1cM1 LYS 263 HD2 -0.05 -0.06 0.10 -0.04 1.69 1.65 3h1cM1 LYS 263 HD3 -0.13 0.08 0.07 -0.04 1.68 1.65 3h1cM1 LYS 263 HE2 -0.72 0.00 0.06 -0.04 2.99 2.28 3h1cM1 LYS 263 HE3 -0.28 -0.12 0.09 -0.04 2.99 2.65 3h1cM1 GLN 264 H 0.02 0.10 0.05 -0.55 8.47 8.09 3h1cM1 GLN 264 HA 0.02 0.15 0.44 -0.75 4.36 4.21 3h1cM1 GLN 264 HB2 0.01 -0.06 0.09 -0.04 2.15 2.16 3h1cM1 GLN 264 HB3 0.01 0.07 0.01 -0.04 2.02 2.07 3h1cM1 GLN 264 HG2 -0.02 0.10 0.07 -0.04 2.40 2.52 3h1cM1 GLN 264 HG3 -0.01 -0.06 0.09 -0.04 2.39 2.36 3h1cM1 GLN 264 HE21 -0.00 0.01 0.01 -0.04 6.97 6.95 3h1cM1 GLN 264 HE22 -0.01 0.06 0.03 -0.04 7.69 7.73 3h1cM1 GLU 265 H 0.03 0.03 -0.36 -0.55 8.60 7.76 3h1cM1 GLU 265 HA 0.02 0.14 0.55 -0.75 4.29 4.24 3h1cM1 GLU 265 HB2 0.01 0.00 -0.00 -0.04 2.09 2.06 3h1cM1 GLU 265 HB3 0.00 0.06 0.03 -0.04 1.99 2.04 3h1cM1 GLU 265 HG2 0.01 0.06 -0.01 -0.04 2.34 2.36 3h1cM1 GLU 265 HG3 0.01 -0.10 -0.04 -0.04 2.34 2.18 3h1cM1 ARG 266 H 0.05 0.23 -0.32 -0.55 8.46 7.87 3h1cM1 ARG 266 HA -0.07 0.15 0.65 -0.75 4.34 4.31 3h1cM1 ARG 266 HB2 -0.01 0.16 0.03 -0.04 1.90 2.03 3h1cM1 ARG 266 HB3 0.08 -0.03 0.19 -0.04 1.80 2.00 3h1cM1 ARG 266 HG2 -0.36 -0.12 -0.20 -0.04 1.67 0.95 3h1cM1 ARG 266 HG3 -0.31 0.24 0.08 -0.04 1.67 1.65 3h1cM1 ARG 266 HD2 -0.20 -0.06 -0.01 -0.04 3.22 2.90 3h1cM1 ARG 266 HD3 -0.03 0.30 -0.02 -0.04 3.22 3.44 3h1cM1 TYR 267 H 0.26 0.66 0.11 -0.55 8.29 8.77 3h1cM1 TYR 267 HA -0.07 0.02 0.41 -0.75 4.56 4.17 3h1cM1 TYR 267 HB2 -0.02 0.13 0.16 -0.04 3.06 3.28 3h1cM1 TYR 267 HB3 -0.02 0.01 0.01 -0.04 2.98 2.94 3h1cM1 TYR 267 HD2 -0.02 0.07 0.09 -0.04 7.15 7.26 3h1cM1 TYR 267 HE2 -0.01 -0.04 0.01 -0.04 6.85 6.76 3h1cM1 ALA 268 H 0.07 0.27 -0.38 -0.55 8.40 7.81 3h1cM1 ALA 268 HA 0.03 0.08 0.61 -0.75 4.34 4.31 3h1cM1 ALA 268 HB3 0.02 0.03 0.09 -0.04 1.41 1.51 3h1cM1 GLN 269 H -0.03 0.28 -0.34 -0.55 8.47 7.84 3h1cM1 GLN 269 HA -0.03 0.04 0.59 -0.75 4.36 4.21 3h1cM1 GLN 269 HB2 -0.04 0.10 0.20 -0.04 2.15 2.37 3h1cM1 GLN 269 HB3 -0.09 0.15 0.28 -0.04 2.02 2.32 3h1cM1 GLN 269 HG2 -0.05 0.04 0.03 -0.04 2.40 2.37 3h1cM1 GLN 269 HG3 -0.06 -0.06 -0.14 -0.04 2.39 2.09 3h1cM1 GLN 269 HE21 -0.01 -0.03 -0.00 -0.04 6.97 6.89 3h1cM1 GLN 269 HE22 -0.02 0.04 -0.00 -0.04 7.69 7.66 3h1cM1 VAL 270 H -0.14 0.74 0.08 -0.55 8.24 8.37 3h1cM1 VAL 270 HA -0.12 0.02 0.41 -0.75 4.13 3.68 3h1cM1 VAL 270 HB -0.25 0.05 0.11 -0.04 2.12 1.98 3h1cM1 VAL 270 HG13 -0.11 -0.01 -0.09 -0.04 0.97 0.71 3h1cM1 VAL 270 HG23 -0.55 0.04 -0.01 -0.04 0.95 0.39 3h1cM1 ASP 271 H -0.03 0.33 -0.47 -0.55 8.40 7.68 3h1cM1 ASP 271 HA -0.00 0.02 0.41 -0.75 4.63 4.31 3h1cM1 ASP 271 HB2 0.02 0.14 0.15 -0.04 2.71 2.98 3h1cM1 ASP 271 HB3 0.01 0.12 0.12 -0.04 2.70 2.91 3h1cM1 VAL 272 H -0.01 0.40 -0.18 -0.55 8.24 7.90 3h1cM1 VAL 272 HA 0.00 0.02 0.47 -0.75 4.13 3.87 3h1cM1 VAL 272 HB -0.00 -0.04 0.10 -0.04 2.12 2.13 3h1cM1 VAL 272 HG13 0.00 0.03 0.06 -0.04 0.97 1.02 3h1cM1 VAL 272 HG23 -0.01 0.04 0.09 -0.04 0.95 1.03 3h1cM1 ILE 273 H -0.02 0.39 -0.28 -0.55 8.25 7.80 3h1cM1 ILE 273 HA -0.00 0.08 0.66 -0.75 4.18 4.17 3h1cM1 ILE 273 HB -0.02 0.14 0.12 -0.04 1.89 2.09 3h1cM1 ILE 273 HG12 -0.00 -0.07 -0.10 -0.04 1.49 1.28 3h1cM1 ILE 273 HG13 -0.00 -0.02 0.03 -0.04 1.21 1.18 3h1cM1 ILE 273 HG23 0.01 -0.01 -0.13 -0.04 0.93 0.76 3h1cM1 ILE 273 HD13 -0.02 -0.01 -0.05 -0.04 0.88 0.76 3h1cM1 LYS 274 H 0.00 0.46 -0.09 -0.55 8.42 8.23 3h1cM1 LYS 274 HA 0.02 0.00 0.45 -0.75 4.32 4.03 3h1cM1 LYS 274 HB2 0.02 0.06 0.13 -0.04 1.87 2.03 3h1cM1 LYS 274 HB3 0.01 0.15 0.16 -0.04 1.79 2.07 3h1cM1 LYS 274 HG2 0.03 -0.02 -0.13 -0.04 1.46 1.29 3h1cM1 LYS 274 HG3 0.03 -0.06 0.05 -0.04 1.46 1.44 3h1cM1 LYS 274 HD2 0.04 0.01 -0.02 -0.04 1.69 1.69 3h1cM1 LYS 274 HD3 0.03 0.02 -0.02 -0.04 1.68 1.68 3h1cM1 LYS 274 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.95 3h1cM1 LYS 274 HE3 0.05 -0.04 0.02 -0.04 2.99 2.98 3h1cM1 SER 275 H 0.01 0.43 -0.19 -0.55 8.46 8.16 3h1cM1 SER 275 HA 0.01 0.05 0.49 -0.75 4.49 4.29 3h1cM1 SER 275 HB2 0.01 0.04 0.13 -0.04 3.95 4.09 3h1cM1 SER 275 HB3 0.01 -0.04 0.02 -0.04 3.93 3.88 3h1cM1 GLU 276 H 0.01 0.44 -0.17 -0.55 8.60 8.33 3h1cM1 GLU 276 HA 0.01 0.04 0.48 -0.75 4.29 4.07 3h1cM1 GLU 276 HB2 0.00 0.12 0.17 -0.04 2.09 2.35 3h1cM1 GLU 276 HB3 0.01 -0.04 0.08 -0.04 1.99 1.99 3h1cM1 GLU 276 HG2 0.00 -0.06 0.04 -0.04 2.34 2.28 3h1cM1 GLU 276 HG3 0.00 0.06 0.12 -0.04 2.34 2.49 3h1cM1 THR 277 H 0.01 0.39 -0.27 -0.55 8.28 7.86 3h1cM1 THR 277 HA 0.01 0.08 0.54 -0.75 4.39 4.27 3h1cM1 THR 277 HB 0.02 0.05 0.09 -0.04 4.32 4.43 3h1cM1 THR 277 HG23 0.01 -0.03 -0.04 -0.04 1.22 1.12 3h1cM1 ILE 278 H 0.01 0.40 -0.14 -0.55 8.25 7.97 3h1cM1 ILE 278 HA 0.01 0.03 0.50 -0.75 4.18 3.97 3h1cM1 ILE 278 HB 0.02 0.13 0.13 -0.04 1.89 2.13 3h1cM1 ILE 278 HG12 0.02 -0.08 0.01 -0.04 1.49 1.40 3h1cM1 ILE 278 HG13 0.02 0.05 0.09 -0.04 1.21 1.33 3h1cM1 ILE 278 HG23 0.02 -0.01 -0.05 -0.04 0.93 0.84 3h1cM1 ILE 278 HD13 0.02 -0.00 0.00 -0.04 0.88 0.87 3h1cM1 ALA 279 H 0.01 0.41 -0.22 -0.55 8.40 8.06 3h1cM1 ALA 279 HA 0.01 0.02 0.40 -0.75 4.34 4.02 3h1cM1 ALA 279 HB3 0.01 0.04 0.10 -0.04 1.41 1.52 3h1cM1 THR 280 H 0.01 0.35 -0.38 -0.55 8.28 7.70 3h1cM1 THR 280 HA 0.01 0.07 0.58 -0.75 4.39 4.29 3h1cM1 THR 280 HB 0.01 0.08 0.09 -0.04 4.32 4.46 3h1cM1 THR 280 HG23 0.01 -0.02 0.03 -0.04 1.22 1.19 3h1cM1 LEU 281 H 0.01 0.31 -0.20 -0.55 8.37 7.94 3h1cM1 LEU 281 HA 0.01 0.03 0.55 -0.75 4.35 4.18 3h1cM1 LEU 281 HB2 0.01 0.09 0.21 -0.04 1.64 1.91 3h1cM1 LEU 281 HB3 0.01 -0.05 0.06 -0.04 1.64 1.62 3h1cM1 LEU 281 HG 0.01 0.09 0.06 -0.04 1.64 1.75 3h1cM1 LEU 281 HD13 0.01 -0.03 -0.05 -0.04 0.93 0.82 3h1cM1 LEU 281 HD23 0.01 -0.03 0.02 -0.04 0.89 0.86 3h1cM1 LEU 282 H 0.01 0.52 -0.11 -0.55 8.37 8.25 3h1cM1 LEU 282 HA 0.01 0.11 0.49 -0.75 4.35 4.21 3h1cM1 LEU 282 HB2 0.01 0.06 0.09 -0.04 1.64 1.76 3h1cM1 LEU 282 HB3 0.01 -0.03 -0.04 -0.04 1.64 1.53 3h1cM1 LEU 282 HG 0.01 0.06 -0.01 -0.04 1.64 1.65 3h1cM1 LEU 282 HD13 0.01 -0.03 -0.09 -0.04 0.93 0.78 3h1cM1 LEU 282 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 3h1cM1 ALA 283 H 0.01 0.28 -0.33 -0.55 8.40 7.82 3h1cM1 ALA 283 HA 0.01 0.05 0.49 -0.75 4.34 4.13 3h1cM1 ALA 283 HB3 0.01 0.01 0.09 -0.04 1.41 1.47 3h1cM1 GLU 284 H 0.01 0.14 -0.48 -0.55 8.60 7.73 3h1cM1 GLU 284 HA 0.00 0.02 0.52 -0.75 4.29 4.08 3h1cM1 GLU 284 HB2 0.01 0.12 0.26 -0.04 2.09 2.43 3h1cM1 GLU 284 HB3 0.00 -0.09 0.05 -0.04 1.99 1.91 3h1cM1 GLU 284 HG2 0.01 0.77 0.23 -0.04 2.34 3.31 3h1cM1 GLU 284 HG3 0.01 -0.13 0.02 -0.04 2.34 2.19 3h1cM1 ASP 285 H 0.01 0.56 0.11 -0.55 8.40 8.53 3h1cM1 ASP 285 HA 0.00 0.12 0.40 -0.75 4.63 4.41 3h1cM1 ASP 285 HB2 0.00 -0.11 0.12 -0.04 2.71 2.69 3h1cM1 ASP 285 HB3 0.00 0.18 0.00 -0.04 2.70 2.84 3h1cM1 GLU 286 H 0.00 0.15 0.13 -0.55 8.60 8.34 3h1cM1 GLU 286 HA 0.01 0.21 0.63 -0.75 4.29 4.39 3h1cM1 GLU 286 HB2 0.00 -0.03 0.10 -0.04 2.09 2.12 3h1cM1 GLU 286 HB3 0.01 0.01 0.18 -0.04 1.99 2.14 3h1cM1 GLU 286 HG2 0.01 -0.03 0.03 -0.04 2.34 2.30 3h1cM1 GLU 286 HG3 0.01 0.13 -0.02 -0.04 2.34 2.42 3h1cM1 THR 287 H 0.00 0.04 -0.35 -0.55 8.28 7.43 3h1cM1 THR 287 HA 0.00 0.13 0.39 -0.75 4.39 4.16 3h1cM1 THR 287 HB 0.00 0.01 0.03 -0.04 4.32 4.32 3h1cM1 THR 287 HG23 0.00 -0.01 0.01 -0.04 1.22 1.18 3h1cM1 LEU 288 H 0.01 0.11 -0.22 -0.55 8.37 7.72 3h1cM1 LEU 288 HA 0.01 0.04 0.38 -0.75 4.35 4.02 3h1cM1 LEU 288 HB2 0.01 0.07 -0.07 -0.04 1.64 1.61 3h1cM1 LEU 288 HB3 0.01 -0.06 0.09 -0.04 1.64 1.64 3h1cM1 LEU 288 HG 0.01 -0.06 -0.02 -0.04 1.64 1.52 3h1cM1 LEU 288 HD13 0.01 0.02 0.03 -0.04 0.93 0.95 3h1cM1 LEU 288 HD23 0.01 -0.01 0.01 -0.04 0.89 0.85 3h1cM1 ASP 289 H 0.01 0.06 0.17 -0.55 8.40 8.10 3h1cM1 ASP 289 HA 0.01 0.22 0.77 -0.75 4.63 4.89 3h1cM1 ASP 289 HB2 0.01 0.14 0.14 -0.04 2.71 2.96 3h1cM1 ASP 289 HB3 0.02 -0.11 0.14 -0.04 2.70 2.71 3h1cM1 GLU 290 H 0.02 0.23 0.19 -0.55 8.60 8.49 3h1cM1 GLU 290 HA 0.02 0.14 0.47 -0.75 4.29 4.17 3h1cM1 GLU 290 HB2 0.02 0.09 0.11 -0.04 2.09 2.27 3h1cM1 GLU 290 HB3 0.02 -0.01 0.14 -0.04 1.99 2.10 3h1cM1 GLU 290 HG2 0.02 0.04 -0.02 -0.04 2.34 2.34 3h1cM1 GLU 290 HG3 0.03 -0.03 -0.17 -0.04 2.34 2.12 3h1cM1 ASN 291 H 0.03 0.15 0.03 -0.55 8.53 8.19 3h1cM1 ASN 291 HA 0.04 0.12 0.50 -0.75 4.76 4.67 3h1cM1 ASN 291 HB2 0.04 0.06 0.06 -0.04 2.88 3.00 3h1cM1 ASN 291 HB3 0.05 0.08 0.04 -0.04 2.79 2.91 3h1cM1 ASN 291 HD21 0.04 -0.00 -0.21 -0.04 7.03 6.82 3h1cM1 ASN 291 HD22 0.04 0.17 -0.08 -0.04 7.74 7.82 3h1cM1 GLU 292 H 0.03 0.06 -0.34 -0.55 8.60 7.80 3h1cM1 GLU 292 HA 0.03 0.17 0.51 -0.75 4.29 4.25 3h1cM1 GLU 292 HB2 0.02 0.01 0.09 -0.04 2.09 2.18 3h1cM1 GLU 292 HB3 0.02 0.05 0.05 -0.04 1.99 2.07 3h1cM1 GLU 292 HG2 0.02 -0.04 -0.03 -0.04 2.34 2.25 3h1cM1 GLU 292 HG3 0.02 0.07 0.07 -0.04 2.34 2.46 3h1cM1 LEU 293 H 0.03 0.31 -0.24 -0.55 8.37 7.92 3h1cM1 LEU 293 HA 0.03 0.05 0.51 -0.75 4.35 4.19 3h1cM1 LEU 293 HB2 0.03 0.15 0.10 -0.04 1.64 1.88 3h1cM1 LEU 293 HB3 0.03 -0.03 0.03 -0.04 1.64 1.63 3h1cM1 LEU 293 HG 0.02 0.06 0.07 -0.04 1.64 1.75 3h1cM1 LEU 293 HD13 0.02 0.00 -0.01 -0.04 0.93 0.90 3h1cM1 LEU 293 HD23 0.02 -0.02 0.00 -0.04 0.89 0.85 3h1cM1 GLY 294 H 0.04 0.28 -0.21 -0.55 8.43 7.99 3h1cM1 GLY 294 HA2 0.05 0.05 0.47 -0.51 4.01 4.08 3h1cM1 GLY 294 HA3 0.05 0.10 0.28 -0.51 4.01 3.93 3h1cM1 GLU 295 H 0.05 0.26 -0.42 -0.55 8.60 7.95 3h1cM1 GLU 295 HA 0.07 0.11 0.55 -0.75 4.29 4.27 3h1cM1 GLU 295 HB2 0.05 0.13 0.14 -0.04 2.09 2.37 3h1cM1 GLU 295 HB3 0.05 0.07 0.15 -0.04 1.99 2.22 3h1cM1 GLU 295 HG2 0.07 -0.04 -0.16 -0.04 2.34 2.17 3h1cM1 GLU 295 HG3 0.06 0.00 0.04 -0.04 2.34 2.41 3h1cM1 ILE 296 H 0.05 0.34 -0.12 -0.55 8.25 7.97 3h1cM1 ILE 296 HA 0.06 0.13 0.60 -0.75 4.18 4.21 3h1cM1 ILE 296 HB 0.03 -0.04 0.04 -0.04 1.89 1.88 3h1cM1 ILE 296 HG12 0.03 -0.02 0.03 -0.04 1.49 1.49 3h1cM1 ILE 296 HG13 0.04 0.07 0.21 -0.04 1.21 1.48 3h1cM1 ILE 296 HG23 0.03 0.02 0.02 -0.04 0.93 0.97 3h1cM1 ILE 296 HD13 0.03 -0.02 -0.10 -0.04 0.88 0.75 3h1cM1 LEU 297 H 0.06 0.41 -0.21 -0.55 8.37 8.08 3h1cM1 LEU 297 HA 0.04 0.02 0.55 -0.75 4.35 4.21 3h1cM1 LEU 297 HB2 0.06 0.10 0.16 -0.04 1.64 1.92 3h1cM1 LEU 297 HB3 0.06 -0.01 -0.04 -0.04 1.64 1.61 3h1cM1 LEU 297 HG 0.03 -0.01 0.03 -0.04 1.64 1.66 3h1cM1 LEU 297 HD13 0.03 -0.00 -0.05 -0.04 0.93 0.87 3h1cM1 LEU 297 HD23 0.03 -0.02 -0.01 -0.04 0.89 0.84 3h1cM1 HIS 298 H 0.16 0.33 -0.39 -0.55 8.41 7.97 3h1cM1 HIS 298 HA 0.03 0.03 0.52 -0.75 4.63 4.45 3h1cM1 HIS 298 HB2 0.04 0.08 0.14 -0.04 3.26 3.49 3h1cM1 HIS 298 HB3 0.04 0.22 0.13 -0.04 3.20 3.55 3h1cM1 HIS 298 HD2 0.05 0.05 -0.14 -0.04 6.97 6.87 3h1cM1 HIS 298 HE1 0.08 -0.02 -0.03 -0.04 7.75 7.73 3h1cM1 ALA 299 H 0.09 0.20 -0.39 -0.55 8.40 7.76 3h1cM1 ALA 299 HA -0.00 0.10 0.50 -0.75 4.34 4.18 3h1cM1 ALA 299 HB3 0.04 0.06 0.12 -0.04 1.41 1.59 3h1cM1 ILE 300 H 0.00 0.33 -0.27 -0.55 8.25 7.76 3h1cM1 ILE 300 HA -0.03 0.07 0.54 -0.75 4.18 4.02 3h1cM1 ILE 300 HB 0.01 0.13 0.07 -0.04 1.89 2.06 3h1cM1 ILE 300 HG12 0.00 -0.01 0.02 -0.04 1.49 1.46 3h1cM1 ILE 300 HG13 0.01 0.21 0.10 -0.04 1.21 1.49 3h1cM1 ILE 300 HG23 0.00 -0.03 -0.07 -0.04 0.93 0.79 3h1cM1 ILE 300 HD13 0.02 -0.05 -0.11 -0.04 0.88 0.70 3h1cM1 GLU 301 H -0.06 0.38 -0.22 -0.55 8.60 8.15 3h1cM1 GLU 301 HA -0.14 0.02 0.42 -0.75 4.29 3.83 3h1cM1 GLU 301 HB2 -0.20 0.19 0.14 -0.04 2.09 2.18 3h1cM1 GLU 301 HB3 -0.12 -0.04 0.02 -0.04 1.99 1.80 3h1cM1 GLU 301 HG2 0.23 -0.06 0.04 -0.04 2.34 2.51 3h1cM1 GLU 301 HG3 0.04 0.23 0.11 -0.04 2.34 2.68 3h1cM1 LYS 302 H -0.21 0.37 -0.32 -0.55 8.42 7.71 3h1cM1 LYS 302 HA -0.20 0.03 0.54 -0.75 4.32 3.94 3h1cM1 LYS 302 HB2 -0.21 0.04 0.13 -0.04 1.87 1.79 3h1cM1 LYS 302 HB3 -0.10 0.09 0.14 -0.04 1.79 1.89 3h1cM1 LYS 302 HG2 -0.05 -0.04 -0.07 -0.04 1.46 1.25 3h1cM1 LYS 302 HG3 -0.06 0.05 0.16 -0.04 1.46 1.57 3h1cM1 LYS 302 HD2 0.02 -0.01 0.03 -0.04 1.69 1.69 3h1cM1 LYS 302 HD3 0.00 -0.04 0.02 -0.04 1.68 1.62 3h1cM1 LYS 302 HE2 -0.00 -0.05 0.02 -0.04 2.99 2.92 3h1cM1 LYS 302 HE3 0.01 0.16 0.04 -0.04 2.99 3.16 3h1cM1 ASN 303 H -0.10 0.29 -0.30 -0.55 8.53 7.88 3h1cM1 ASN 303 HA -0.06 0.06 0.42 -0.75 4.76 4.43 3h1cM1 ASN 303 HB2 -0.04 0.12 0.16 -0.04 2.88 3.08 3h1cM1 ASN 303 HB3 -0.05 0.04 0.19 -0.04 2.79 2.93 3h1cM1 ASN 303 HD21 -0.02 -0.02 -0.04 -0.04 7.03 6.91 3h1cM1 ASN 303 HD22 -0.02 -0.01 -0.02 -0.04 7.74 7.65 3h1cM1 VAL 304 H -0.12 0.51 -0.08 -0.55 8.24 8.01 3h1cM1 VAL 304 HA -0.05 0.04 0.37 -0.75 4.13 3.73 3h1cM1 VAL 304 HB -0.15 0.06 0.06 -0.04 2.12 2.05 3h1cM1 VAL 304 HG13 -0.01 -0.01 -0.10 -0.04 0.97 0.82 3h1cM1 VAL 304 HG23 -0.02 0.04 -0.01 -0.04 0.95 0.92 3h1cM1 VAL 305 H -0.24 0.33 -0.22 -0.55 8.24 7.56 3h1cM1 VAL 305 HA -0.11 0.08 0.44 -0.75 4.13 3.78 3h1cM1 VAL 305 HB -0.20 0.14 0.10 -0.04 2.12 2.12 3h1cM1 VAL 305 HG13 -0.07 -0.03 -0.12 -0.04 0.97 0.71 3h1cM1 VAL 305 HG23 -0.54 0.03 0.06 -0.04 0.95 0.45 3h1cM1 ARG 306 H -0.09 0.47 -0.16 -0.55 8.46 8.12 3h1cM1 ARG 306 HA -0.04 -0.01 0.42 -0.75 4.34 3.95 3h1cM1 ARG 306 HB2 -0.05 0.14 0.15 -0.04 1.90 2.10 3h1cM1 ARG 306 HB3 -0.03 -0.08 0.02 -0.04 1.80 1.67 3h1cM1 ARG 306 HG2 -0.03 -0.12 0.09 -0.04 1.67 1.57 3h1cM1 ARG 306 HG3 -0.05 0.01 0.14 -0.04 1.67 1.72 3h1cM1 ARG 306 HD2 -0.03 0.23 0.14 -0.04 3.22 3.53 3h1cM1 ARG 306 HD3 -0.04 -0.02 0.01 -0.04 3.22 3.13 3h1cM1 SER 307 H -0.05 0.41 -0.34 -0.55 8.46 7.93 3h1cM1 SER 307 HA -0.02 0.04 0.54 -0.75 4.49 4.29 3h1cM1 SER 307 HB2 -0.03 0.12 0.11 -0.04 3.95 4.10 3h1cM1 SER 307 HB3 -0.02 -0.08 0.03 -0.04 3.93 3.83 3h1cM1 ARG 308 H -0.03 0.37 -0.23 -0.55 8.46 8.01 3h1cM1 ARG 308 HA -0.01 0.02 0.57 -0.75 4.34 4.16 3h1cM1 ARG 308 HB2 -0.02 0.09 0.12 -0.04 1.90 2.06 3h1cM1 ARG 308 HB3 -0.01 0.10 -0.05 -0.04 1.80 1.80 3h1cM1 ARG 308 HG2 -0.01 -0.08 -0.00 -0.04 1.67 1.54 3h1cM1 ARG 308 HG3 -0.02 0.11 0.05 -0.04 1.67 1.76 3h1cM1 ARG 308 HD2 0.00 0.00 -0.06 -0.04 3.22 3.13 3h1cM1 ARG 308 HD3 0.01 0.07 -0.06 -0.04 3.22 3.20 3h1cM1 VAL 309 H -0.02 0.36 -0.12 -0.55 8.24 7.91 3h1cM1 VAL 309 HA -0.01 0.15 0.42 -0.75 4.13 3.93 3h1cM1 VAL 309 HB -0.02 0.06 0.06 -0.04 2.12 2.19 3h1cM1 VAL 309 HG13 -0.01 -0.02 -0.15 -0.04 0.97 0.75 3h1cM1 VAL 309 HG23 -0.01 0.04 -0.02 -0.04 0.95 0.92 3h1cM1 LEU 310 H -0.02 0.35 -0.29 -0.55 8.37 7.86 3h1cM1 LEU 310 HA -0.03 0.02 0.32 -0.75 4.35 3.91 3h1cM1 LEU 310 HB2 -0.02 0.06 0.10 -0.04 1.64 1.74 3h1cM1 LEU 310 HB3 -0.02 -0.07 -0.04 -0.04 1.64 1.47 3h1cM1 LEU 310 HG -0.02 0.41 0.12 -0.04 1.64 2.11 3h1cM1 LEU 310 HD13 -0.01 -0.04 -0.09 -0.04 0.93 0.75 3h1cM1 LEU 310 HD23 -0.01 -0.05 -0.18 -0.04 0.89 0.61 3h1cM1 ALA 311 H -0.02 0.29 -0.28 -0.55 8.40 7.85 3h1cM1 ALA 311 HA -0.02 0.04 0.40 -0.75 4.34 4.00 3h1cM1 ALA 311 HB3 -0.02 -0.00 0.10 -0.04 1.41 1.45 3h1cM1 GLY 312 H -0.02 0.28 -0.34 -0.55 8.43 7.81 3h1cM1 GLY 312 HA2 -0.02 0.01 0.20 -0.51 4.01 3.69 3h1cM1 GLY 312 HA3 -0.02 0.11 0.81 -0.51 4.01 4.40 3h1cM1 GLU 313 H -0.01 0.18 0.11 -0.55 8.60 8.33 3h1cM1 GLU 313 HA -0.01 0.04 0.54 -0.75 4.29 4.11 3h1cM1 GLU 313 HB2 -0.01 0.02 0.19 -0.04 2.09 2.25 3h1cM1 GLU 313 HB3 -0.00 0.05 0.04 -0.04 1.99 2.04 3h1cM1 GLU 313 HG2 -0.00 -0.01 -0.01 -0.04 2.34 2.28 3h1cM1 GLU 313 HG3 -0.01 -0.06 -0.03 -0.04 2.34 2.20 3h1cM1 PRO 314 HA 0.00 0.10 0.41 -0.51 4.44 4.44 3h1cM1 PRO 314 HB2 0.01 0.07 -0.06 -0.04 2.28 2.26 3h1cM1 PRO 314 HB3 0.00 -0.04 0.01 -0.04 2.02 1.95 3h1cM1 PRO 314 HG2 0.01 0.04 0.06 -0.04 2.03 2.09 3h1cM1 PRO 314 HG3 0.00 0.00 0.05 -0.04 2.03 2.05 3h1cM1 PRO 314 HD2 -0.00 0.04 0.24 -0.04 3.68 3.92 3h1cM1 PRO 314 HD3 -0.00 0.14 0.19 -0.04 3.65 3.94 3h1cM1 ARG 315 H 0.01 0.41 0.29 -0.55 8.46 8.61 3h1cM1 ARG 315 HA 0.02 0.19 0.30 -0.75 4.34 4.09 3h1cM1 ARG 315 HB2 0.02 -0.16 0.09 -0.04 1.90 1.81 3h1cM1 ARG 315 HB3 0.03 -0.19 0.14 -0.04 1.80 1.74 3h1cM1 ARG 315 HG2 0.01 -0.02 -0.04 -0.04 1.67 1.58 3h1cM1 ARG 315 HG3 0.01 0.14 -0.03 -0.04 1.67 1.74 3h1cM1 ARG 315 HD2 0.01 0.06 -0.31 -0.04 3.22 2.94 3h1cM1 ARG 315 HD3 0.01 -0.06 -0.20 -0.04 3.22 2.93 3h1cM1 ILE 316 H 0.04 0.05 0.13 -0.55 8.25 7.93 3h1cM1 ILE 316 HA 0.07 0.37 0.37 -0.75 4.18 4.23 3h1cM1 ILE 316 HB 0.08 -0.21 0.11 -0.04 1.89 1.83 3h1cM1 ILE 316 HG12 0.12 0.20 0.09 -0.04 1.49 1.86 3h1cM1 ILE 316 HG13 0.05 -0.07 0.12 -0.04 1.21 1.28 3h1cM1 ILE 316 HG23 0.13 0.07 -0.12 -0.04 0.93 0.97 3h1cM1 ILE 316 HD13 0.11 -0.04 -0.02 -0.04 0.88 0.89 3h1cM1 ASP 317 H 0.05 -0.04 -0.15 -0.55 8.40 7.71 3h1cM1 ASP 317 HA 0.04 0.18 0.61 -0.75 4.63 4.70 3h1cM1 ASP 317 HB2 0.04 -0.01 0.11 -0.04 2.71 2.80 3h1cM1 ASP 317 HB3 0.05 0.00 0.06 -0.04 2.70 2.77 3h1cM1 GLY 318 H 0.03 0.28 -0.79 -0.55 8.43 7.40 3h1cM1 GLY 318 HA2 0.02 0.12 0.18 -0.51 4.01 3.82 3h1cM1 GLY 318 HA3 0.02 0.09 0.46 -0.51 4.01 4.06 3h1cM1 ARG 319 H 0.02 0.01 0.11 -0.55 8.46 8.04 3h1cM1 ARG 319 HA 0.01 0.19 0.78 -0.75 4.34 4.57 3h1cM1 ARG 319 HB2 0.02 -0.16 -0.09 -0.04 1.90 1.63 3h1cM1 ARG 319 HB3 0.01 0.25 0.01 -0.04 1.80 2.03 3h1cM1 ARG 319 HG2 0.01 0.05 -0.09 -0.04 1.67 1.59 3h1cM1 ARG 319 HG3 0.02 -0.01 -0.54 -0.04 1.67 1.10 3h1cM1 ARG 319 HD2 0.01 0.27 -0.23 -0.04 3.22 3.23 3h1cM1 ARG 319 HD3 0.02 -0.08 -0.31 -0.04 3.22 2.81 3h1cM1 GLU 320 H -0.00 0.10 0.14 -0.55 8.60 8.30 3h1cM1 GLU 320 HA -0.00 0.24 0.74 -0.75 4.29 4.52 3h1cM1 GLU 320 HB2 -0.01 -0.10 0.14 -0.04 2.09 2.08 3h1cM1 GLU 320 HB3 -0.01 -0.06 0.20 -0.04 1.99 2.08 3h1cM1 GLU 320 HG2 -0.00 -0.00 0.01 -0.04 2.34 2.30 3h1cM1 GLU 320 HG3 -0.01 0.02 0.05 -0.04 2.34 2.36 3h1cM1 LYS 321 H -0.01 0.18 0.16 -0.55 8.42 8.20 3h1cM1 LYS 321 HA 0.00 0.08 0.37 -0.75 4.32 4.02 3h1cM1 LYS 321 HB2 -0.01 0.24 0.13 -0.04 1.87 2.19 3h1cM1 LYS 321 HB3 -0.01 0.05 0.09 -0.04 1.79 1.89 3h1cM1 LYS 321 HG2 -0.01 -0.08 0.14 -0.04 1.46 1.47 3h1cM1 LYS 321 HG3 -0.01 -0.01 -0.03 -0.04 1.46 1.36 3h1cM1 LYS 321 HD2 -0.03 -0.02 0.05 -0.04 1.69 1.65 3h1cM1 LYS 321 HD3 -0.03 0.07 0.05 -0.04 1.68 1.73 3h1cM1 LYS 321 HE2 -0.04 0.03 0.04 -0.04 2.99 2.98 3h1cM1 LYS 321 HE3 -0.02 -0.01 0.04 -0.04 2.99 2.96 3h1cM1 ASP 322 H -0.01 -0.09 -0.21 -0.55 8.40 7.55 3h1cM1 ASP 322 HA -0.00 0.22 0.87 -0.75 4.63 4.97 3h1cM1 ASP 322 HB2 -0.01 0.01 0.03 -0.04 2.71 2.70 3h1cM1 ASP 322 HB3 -0.01 0.02 -0.04 -0.04 2.70 2.63 3h1cM1 MET 323 H -0.02 -0.07 -0.07 -0.55 8.47 7.77 3h1cM1 MET 323 HA -0.06 0.12 0.63 -0.75 4.52 4.46 3h1cM1 MET 323 HB2 -0.05 0.09 0.10 -0.04 2.15 2.24 3h1cM1 MET 323 HB3 -0.04 -0.04 0.07 -0.04 2.03 1.99 3h1cM1 MET 323 HG2 -0.01 -0.21 0.12 -0.04 2.63 2.49 3h1cM1 MET 323 HG3 -0.01 0.11 -0.07 -0.04 2.56 2.54 3h1cM1 MET 323 HE3 -0.01 0.03 -0.01 -0.04 2.10 2.07 3h1cM1 ILE 324 H -0.09 0.10 0.16 -0.55 8.25 7.86 3h1cM1 ILE 324 HA 0.01 0.30 0.74 -0.75 4.18 4.47 3h1cM1 ILE 324 HB 0.04 -0.14 0.10 -0.04 1.89 1.85 3h1cM1 ILE 324 HG12 -0.05 -0.00 0.03 -0.04 1.49 1.42 3h1cM1 ILE 324 HG13 -0.15 -0.05 0.07 -0.04 1.21 1.04 3h1cM1 ILE 324 HG23 0.01 0.03 -0.21 -0.04 0.93 0.71 3h1cM1 ILE 324 HD13 0.17 0.09 -0.11 -0.04 0.88 0.99 3h1cM1 ARG 325 H 0.04 0.04 0.11 -0.55 8.46 8.11 3h1cM1 ARG 325 HA 0.03 0.13 0.38 -0.75 4.34 4.12 3h1cM1 ARG 325 HB2 0.06 -0.04 0.02 -0.04 1.90 1.90 3h1cM1 ARG 325 HB3 0.04 -0.10 0.16 -0.04 1.80 1.86 3h1cM1 ARG 325 HG2 0.04 0.07 0.01 -0.04 1.67 1.75 3h1cM1 ARG 325 HG3 0.04 0.12 0.06 -0.04 1.67 1.86 3h1cM1 ARG 325 HD2 0.05 -0.08 0.06 -0.04 3.22 3.20 3h1cM1 ARG 325 HD3 0.05 0.01 -0.01 -0.04 3.22 3.23 3h1cM1 GLY 326 H 0.03 0.05 0.19 -0.55 8.43 8.15 3h1cM1 GLY 326 HA2 0.03 0.13 0.54 -0.51 4.01 4.21 3h1cM1 GLY 326 HA3 0.01 0.05 0.37 -0.51 4.01 3.94 3h1cM1 LEU 327 H 0.00 0.21 0.25 -0.55 8.37 8.28 3h1cM1 LEU 327 HA -0.12 0.29 1.15 -0.75 4.35 4.92 3h1cM1 LEU 327 HB2 -0.02 0.01 0.10 -0.04 1.64 1.69 3h1cM1 LEU 327 HB3 -0.15 -0.01 0.00 -0.04 1.64 1.44 3h1cM1 LEU 327 HG 0.09 0.10 -0.29 -0.04 1.64 1.51 3h1cM1 LEU 327 HD13 0.14 -0.00 -0.05 -0.04 0.93 0.98 3h1cM1 LEU 327 HD23 0.14 -0.01 -0.03 -0.04 0.89 0.95 3h1cM1 ASP 328 H -0.37 0.45 0.28 -0.55 8.40 8.22 3h1cM1 ASP 328 HA -0.13 0.13 0.74 -0.75 4.63 4.62 3h1cM1 ASP 328 HB2 -0.08 0.04 -0.10 -0.04 2.71 2.52 3h1cM1 ASP 328 HB3 -0.13 -0.08 0.14 -0.04 2.70 2.59 3h1cM1 VAL 329 H -0.12 0.25 0.10 -0.55 8.24 7.92 3h1cM1 VAL 329 HA -0.14 0.10 0.97 -0.75 4.13 4.31 3h1cM1 VAL 329 HB -0.03 0.07 0.12 -0.04 2.12 2.24 3h1cM1 VAL 329 HG13 0.08 0.00 -0.11 -0.04 0.97 0.90 3h1cM1 VAL 329 HG23 -0.07 -0.02 -0.19 -0.04 0.95 0.63 3h1cM1 ARG 330 H 0.01 0.41 0.21 -0.55 8.46 8.54 3h1cM1 ARG 330 HA 0.00 0.19 0.91 -0.75 4.34 4.69 3h1cM1 ARG 330 HB2 0.00 0.04 0.15 -0.04 1.90 2.06 3h1cM1 ARG 330 HB3 0.01 0.03 -0.05 -0.04 1.80 1.74 3h1cM1 ARG 330 HG2 -0.01 0.09 -0.05 -0.04 1.67 1.66 3h1cM1 ARG 330 HG3 -0.03 -0.09 -0.45 -0.04 1.67 1.06 3h1cM1 ARG 330 HD2 -0.01 -0.04 -0.08 -0.04 3.22 3.04 3h1cM1 ARG 330 HD3 -0.01 0.03 -0.06 -0.04 3.22 3.14 3h1cM1 THR 331 H 0.02 0.27 0.12 -0.55 8.28 8.13 3h1cM1 THR 331 HA 0.04 0.11 1.01 -0.75 4.39 4.79 3h1cM1 THR 331 HB 0.04 -0.07 0.01 -0.04 4.32 4.27 3h1cM1 THR 331 HG23 0.02 0.02 -0.06 -0.04 1.22 1.15 3h1cM1 GLY 332 H 0.02 0.46 0.19 -0.55 8.43 8.56 3h1cM1 GLY 332 HA2 0.01 0.08 0.33 -0.51 4.01 3.93 3h1cM1 GLY 332 HA3 0.01 0.14 0.50 -0.51 4.01 4.15 3h1cM1 VAL 333 H 0.02 -0.01 -0.26 -0.55 8.24 7.44 3h1cM1 VAL 333 HA 0.01 0.15 0.28 -0.75 4.13 3.81 3h1cM1 VAL 333 HB 0.02 0.02 -0.19 -0.04 2.12 1.93 3h1cM1 VAL 333 HG13 0.02 -0.02 -0.20 -0.04 0.97 0.74 3h1cM1 VAL 333 HG23 0.01 -0.00 -0.10 -0.04 0.95 0.82 3h1cM1 LEU 334 H 0.01 0.02 -0.19 -0.55 8.37 7.66 3h1cM1 LEU 334 HA -0.00 0.23 0.82 -0.75 4.35 4.64 3h1cM1 LEU 334 HB2 0.00 0.03 -0.05 -0.04 1.64 1.58 3h1cM1 LEU 334 HB3 -0.01 -0.06 -0.00 -0.04 1.64 1.53 3h1cM1 LEU 334 HG 0.01 -0.12 -0.23 -0.04 1.64 1.26 3h1cM1 LEU 334 HD13 0.01 0.01 -0.04 -0.04 0.93 0.87 3h1cM1 LEU 334 HD23 -0.00 0.03 -0.09 -0.04 0.89 0.79 3h1cM1 PRO 335 HA -0.02 0.23 0.45 -0.51 4.44 4.59 3h1cM1 PRO 335 HB2 -0.02 0.03 -0.03 -0.04 2.28 2.22 3h1cM1 PRO 335 HB3 -0.01 0.06 0.03 -0.04 2.02 2.06 3h1cM1 PRO 335 HG2 -0.02 -0.01 0.09 -0.04 2.03 2.05 3h1cM1 PRO 335 HG3 -0.01 0.06 0.07 -0.04 2.03 2.11 3h1cM1 PRO 335 HD2 -0.01 -0.04 0.19 -0.04 3.68 3.78 3h1cM1 PRO 335 HD3 -0.01 0.20 0.25 -0.04 3.65 4.05 3h1cM1 ARG 336 H -0.03 -0.00 0.02 -0.55 8.46 7.90 3h1cM1 ARG 336 HA -0.05 0.18 0.49 -0.75 4.34 4.20 3h1cM1 ARG 336 HB2 -0.03 -0.07 0.11 -0.04 1.90 1.87 3h1cM1 ARG 336 HB3 -0.05 0.00 -0.06 -0.04 1.80 1.65 3h1cM1 ARG 336 HG2 -0.03 -0.01 -0.05 -0.04 1.67 1.55 3h1cM1 ARG 336 HG3 -0.03 -0.03 0.00 -0.04 1.67 1.58 3h1cM1 ARG 336 HD2 -0.04 -0.03 -0.00 -0.04 3.22 3.11 3h1cM1 ARG 336 HD3 -0.05 0.09 0.05 -0.04 3.22 3.27 3h1cM1 THR 337 H -0.04 -0.08 -0.12 -0.55 8.28 7.50 3h1cM1 THR 337 HA -0.10 0.04 0.36 -0.75 4.39 3.93 3h1cM1 THR 337 HB -0.01 -0.06 0.05 -0.04 4.32 4.26 3h1cM1 THR 337 HG23 0.00 -0.01 -0.20 -0.04 1.22 0.97 3h1cM1 HIS 338 H 0.04 0.03 0.23 -0.55 8.41 8.16 3h1cM1 HIS 338 HA -0.00 0.15 0.47 -0.75 4.63 4.49 3h1cM1 HIS 338 HB2 0.01 0.10 0.35 -0.04 3.26 3.68 3h1cM1 HIS 338 HB3 0.01 0.03 0.05 -0.04 3.20 3.25 3h1cM1 HIS 338 HD2 -0.01 0.09 0.07 -0.04 6.97 7.07 3h1cM1 HIS 338 HE1 -0.00 -0.00 0.10 -0.04 7.75 7.81 3h1cM1 GLY 339 H 0.10 0.44 0.26 -0.55 8.43 8.69 3h1cM1 GLY 339 HA2 0.04 0.20 0.86 -0.51 4.01 4.61 3h1cM1 GLY 339 HA3 0.05 -0.00 0.42 -0.51 4.01 3.96 3h1cM1 SER 340 H 0.03 0.28 0.24 -0.55 8.46 8.46 3h1cM1 SER 340 HA 0.02 0.20 1.00 -0.75 4.49 4.96 3h1cM1 SER 340 HB2 0.02 -0.06 0.17 -0.04 3.95 4.04 3h1cM1 SER 340 HB3 0.02 -0.19 0.09 -0.04 3.93 3.81 3h1cM1 ALA 341 H 0.04 0.44 0.32 -0.55 8.40 8.65 3h1cM1 ALA 341 HA 0.06 0.16 0.87 -0.75 4.34 4.67 3h1cM1 ALA 341 HB3 0.07 -0.00 -0.01 -0.04 1.41 1.43 3h1cM1 LEU 342 H 0.07 0.77 0.31 -0.55 8.37 8.98 3h1cM1 LEU 342 HA 0.09 0.12 0.86 -0.75 4.35 4.67 3h1cM1 LEU 342 HB2 0.04 -0.00 -0.07 -0.04 1.64 1.57 3h1cM1 LEU 342 HB3 0.03 0.05 0.16 -0.04 1.64 1.84 3h1cM1 LEU 342 HG 0.02 -0.00 -0.19 -0.04 1.64 1.43 3h1cM1 LEU 342 HD13 0.05 -0.02 -0.07 -0.04 0.93 0.85 3h1cM1 LEU 342 HD23 0.01 0.01 -0.06 -0.04 0.89 0.80 3h1cM1 PHE 343 H 0.22 0.36 0.21 -0.55 8.34 8.58 3h1cM1 PHE 343 HA 0.03 0.30 1.03 -0.75 4.62 5.22 3h1cM1 PHE 343 HB2 0.04 0.01 0.05 -0.04 3.15 3.21 3h1cM1 PHE 343 HB3 0.05 -0.09 0.09 -0.04 3.06 3.07 3h1cM1 PHE 343 HD2 0.04 -0.04 -0.17 -0.04 7.28 7.06 3h1cM1 PHE 343 HE2 0.03 0.00 -0.08 -0.04 7.38 7.28 3h1cM1 PHE 343 HZ 0.03 0.01 -0.04 -0.04 7.32 7.28 3h1cM1 THR 344 H -0.54 0.56 0.30 -0.55 8.28 8.04 3h1cM1 THR 344 HA 0.05 0.25 0.99 -0.75 4.39 4.93 3h1cM1 THR 344 HB -0.11 -0.01 0.12 -0.04 4.32 4.28 3h1cM1 THR 344 HG23 -0.00 -0.01 -0.28 -0.04 1.22 0.88 3h1cM1 ARG 345 H 0.12 0.52 0.18 -0.55 8.46 8.73 3h1cM1 ARG 345 HA 0.02 0.42 1.04 -0.75 4.34 5.07 3h1cM1 GLY 346 H 0.02 0.83 0.14 -0.55 8.43 8.87 3h1cM1 GLY 346 HA2 0.03 0.01 0.39 -0.51 4.01 3.93 3h1cM1 GLY 346 HA3 0.04 -0.04 0.56 -0.51 4.01 4.06 3h1cM1 GLU 347 H 0.05 0.11 0.16 -0.55 8.60 8.37 3h1cM1 GLU 347 HA 0.03 0.24 0.66 -0.75 4.29 4.46 3h1cM1 GLU 347 HB2 0.02 0.04 0.18 -0.04 2.09 2.29 3h1cM1 GLU 347 HB3 0.03 0.05 -0.00 -0.04 1.99 2.02 3h1cM1 GLU 347 HG2 0.04 -0.04 0.08 -0.04 2.34 2.39 3h1cM1 GLU 347 HG3 0.03 -0.00 0.07 -0.04 2.34 2.39 3h1cM1 THR 348 H 0.06 0.35 -0.33 -0.55 8.28 7.81 3h1cM1 THR 348 HA 0.07 0.15 0.56 -0.75 4.39 4.42 3h1cM1 THR 348 HB 0.11 0.09 0.21 -0.04 4.32 4.68 3h1cM1 THR 348 HG23 0.11 -0.09 0.08 -0.04 1.22 1.29 3h1cM1 GLN 349 H 0.07 0.24 0.30 -0.55 8.47 8.54 3h1cM1 GLN 349 HA 0.11 0.41 1.12 -0.75 4.36 5.25 3h1cM1 GLN 349 HB2 0.06 -0.16 0.11 -0.04 2.15 2.12 3h1cM1 GLN 349 HB3 0.07 0.05 0.04 -0.04 2.02 2.14 3h1cM1 GLN 349 HG2 0.04 0.10 -0.11 -0.04 2.40 2.39 3h1cM1 GLN 349 HG3 0.04 -0.09 -0.30 -0.04 2.39 2.00 3h1cM1 GLN 349 HE21 0.02 0.04 -0.09 -0.04 6.97 6.89 3h1cM1 GLN 349 HE22 0.01 0.03 -0.13 -0.04 7.69 7.56 3h1cM1 ALA 350 H 0.14 0.49 0.23 -0.55 8.40 8.71 3h1cM1 ALA 350 HA 0.12 0.20 0.73 -0.75 4.34 4.63 3h1cM1 ALA 350 HB3 0.16 0.00 -0.07 -0.04 1.41 1.46 3h1cM1 LEU 351 H 0.08 0.67 0.28 -0.55 8.37 8.85 3h1cM1 LEU 351 HA 0.07 0.22 0.89 -0.75 4.35 4.77 3h1cM1 LEU 351 HB2 0.06 -0.05 0.16 -0.04 1.64 1.76 3h1cM1 LEU 351 HB3 0.05 -0.02 0.29 -0.04 1.64 1.92 3h1cM1 LEU 351 HG 0.03 0.03 -0.10 -0.04 1.64 1.56 3h1cM1 LEU 351 HD13 0.03 0.03 0.00 -0.04 0.93 0.96 3h1cM1 LEU 351 HD23 0.03 -0.01 -0.02 -0.04 0.89 0.85 3h1cM1 VAL 352 H 0.07 0.47 0.33 -0.55 8.24 8.56 3h1cM1 VAL 352 HA 0.03 0.22 0.94 -0.75 4.13 4.56 3h1cM1 VAL 352 HB 0.06 0.05 -0.03 -0.04 2.12 2.16 3h1cM1 VAL 352 HG13 0.00 -0.01 -0.39 -0.04 0.97 0.53 3h1cM1 VAL 352 HG23 0.11 0.02 -0.17 -0.04 0.95 0.87 3h1cM1 THR 353 H -0.03 0.79 0.41 -0.55 8.28 8.90 3h1cM1 THR 353 HA 0.01 0.23 0.96 -0.75 4.39 4.83 3h1cM1 THR 353 HB 0.01 0.05 0.07 -0.04 4.32 4.41 3h1cM1 THR 353 HG23 0.01 -0.00 -0.10 -0.04 1.22 1.08 3h1cM1 ALA 354 H 0.02 0.35 0.22 -0.55 8.40 8.44 3h1cM1 ALA 354 HA -0.03 0.23 1.01 -0.75 4.34 4.79 3h1cM1 ALA 354 HB3 0.02 0.01 -0.12 -0.04 1.41 1.28 3h1cM1 THR 355 H -0.01 0.49 0.28 -0.55 8.28 8.48 3h1cM1 THR 355 HA 0.07 0.09 1.06 -0.75 4.39 4.84 3h1cM1 THR 355 HB 0.00 -0.05 0.10 -0.04 4.32 4.33 3h1cM1 THR 355 HG23 0.08 0.02 0.01 -0.04 1.22 1.29 3h1cM1 LEU 356 H -0.43 0.16 0.22 -0.55 8.37 7.77 3h1cM1 LEU 356 HA -0.03 0.35 1.02 -0.75 4.35 4.93 3h1cM1 LEU 356 HB2 -0.57 -0.02 0.09 -0.04 1.64 1.10 3h1cM1 LEU 356 HB3 -0.17 0.06 -0.01 -0.04 1.64 1.48 3h1cM1 LEU 356 HG -0.10 -0.13 -0.28 -0.04 1.64 1.09 3h1cM1 LEU 356 HD13 -0.05 0.02 -0.13 -0.04 0.93 0.73 3h1cM1 LEU 356 HD23 0.22 0.02 -0.17 -0.04 0.89 0.92 3h1cM1 GLY 357 H 0.03 0.50 0.27 -0.55 8.43 8.68 3h1cM1 GLY 357 HA2 0.00 0.13 0.74 -0.51 4.01 4.38 3h1cM1 GLY 357 HA3 0.02 -0.00 0.32 -0.51 4.01 3.84 3h1cM1 THR 358 H 0.04 0.09 0.17 -0.55 8.28 8.03 3h1cM1 THR 358 HA 0.10 0.29 0.75 -0.75 4.39 4.78 3h1cM1 THR 358 HB 0.01 -0.09 0.23 -0.04 4.32 4.43 3h1cM1 THR 358 HG23 0.06 0.05 0.04 -0.04 1.22 1.32 3h1cM1 ALA 359 H -0.04 0.21 0.20 -0.55 8.40 8.23 3h1cM1 ALA 359 HA -0.03 0.13 0.42 -0.75 4.34 4.10 3h1cM1 ALA 359 HB3 -0.06 0.04 0.09 -0.04 1.41 1.45 3h1cM1 ARG 360 H -0.00 0.02 -0.16 -0.55 8.46 7.77 3h1cM1 ARG 360 HA 0.00 0.16 0.51 -0.75 4.34 4.26 3h1cM1 ARG 360 HB2 0.01 -0.05 0.01 -0.04 1.90 1.84 3h1cM1 ARG 360 HB3 0.01 0.06 0.03 -0.04 1.80 1.86 3h1cM1 ARG 360 HG2 -0.00 0.05 0.00 -0.04 1.67 1.69 3h1cM1 ARG 360 HG3 -0.00 -0.08 0.04 -0.04 1.67 1.58 3h1cM1 ARG 360 HD2 0.00 0.03 0.01 -0.04 3.22 3.22 3h1cM1 ARG 360 HD3 0.00 0.01 0.01 -0.04 3.22 3.20 3h1cM1 ASP 361 H 0.02 0.10 -0.41 -0.55 8.40 7.56 3h1cM1 ASP 361 HA 0.02 0.09 0.39 -0.75 4.63 4.37 3h1cM1 ASP 361 HB2 0.03 0.15 0.02 -0.04 2.71 2.87 3h1cM1 ASP 361 HB3 0.02 0.02 0.03 -0.04 2.70 2.73 3h1cM1 ALA 362 H 0.02 0.15 -0.61 -0.55 8.40 7.41 3h1cM1 ALA 362 HA 0.03 0.05 0.45 -0.75 4.34 4.11 3h1cM1 ALA 362 HB3 0.02 0.03 -0.05 -0.04 1.41 1.38 3h1cM1 GLN 363 H 0.03 0.27 0.20 -0.55 8.47 8.43 3h1cM1 GLN 363 HA 0.03 0.06 0.48 -0.75 4.36 4.18 3h1cM1 GLN 363 HB2 0.05 0.05 0.11 -0.04 2.15 2.31 3h1cM1 GLN 363 HB3 0.04 -0.00 0.18 -0.04 2.02 2.19 3h1cM1 GLN 363 HG2 0.04 -0.09 -0.22 -0.04 2.40 2.08 3h1cM1 GLN 363 HG3 0.04 0.03 -0.02 -0.04 2.39 2.40 3h1cM1 GLN 363 HE21 0.07 -0.04 -0.00 -0.04 6.97 6.95 3h1cM1 GLN 363 HE22 0.05 0.02 -0.03 -0.04 7.69 7.69 3h1cM1 VAL 364 H 0.03 0.20 0.09 -0.55 8.24 8.01 3h1cM1 VAL 364 HA 0.02 0.16 0.81 -0.75 4.13 4.37 3h1cM1 VAL 364 HB 0.02 -0.03 0.18 -0.04 2.12 2.25 3h1cM1 VAL 364 HG13 0.02 -0.01 -0.13 -0.04 0.97 0.81 3h1cM1 VAL 364 HG23 0.02 0.05 -0.09 -0.04 0.95 0.89 3h1cM1 LEU 365 H 0.03 0.27 -0.08 -0.55 8.37 8.04 3h1cM1 LEU 365 HA 0.03 0.09 0.75 -0.75 4.35 4.46 3h1cM1 LEU 365 HB2 0.03 -0.08 -0.00 -0.04 1.64 1.55 3h1cM1 LEU 365 HB3 0.03 -0.00 0.01 -0.04 1.64 1.64 3h1cM1 LEU 365 HG 0.03 -0.04 0.01 -0.04 1.64 1.60 3h1cM1 LEU 365 HD13 0.03 0.07 0.13 -0.04 0.93 1.12 3h1cM1 LEU 365 HD23 0.03 -0.03 -0.07 -0.04 0.89 0.77 3h1cM1 ASP 366 H 0.02 0.16 0.12 -0.55 8.40 8.16 3h1cM1 ASP 366 HA 0.02 0.12 0.88 -0.75 4.63 4.89 3h1cM1 ASP 366 HB2 0.02 0.07 -0.05 -0.04 2.71 2.71 3h1cM1 ASP 366 HB3 0.02 0.05 -0.04 -0.04 2.70 2.69 3h1cM1 GLU 367 H 0.02 0.29 0.09 -0.55 8.60 8.46 3h1cM1 GLU 367 HA 0.02 0.09 0.58 -0.75 4.29 4.23 3h1cM1 GLU 367 HB2 0.03 0.05 0.05 -0.04 2.09 2.18 3h1cM1 GLU 367 HB3 0.02 0.07 0.13 -0.04 1.99 2.17 3h1cM1 GLU 367 HG2 0.02 -0.33 0.19 -0.04 2.34 2.18 3h1cM1 GLU 367 HG3 0.03 0.02 0.11 -0.04 2.34 2.46 3h1cM1 LEU 368 H 0.02 0.06 0.10 -0.55 8.37 7.99 3h1cM1 LEU 368 HA -0.01 0.16 0.29 -0.75 4.35 4.04 3h1cM1 LEU 368 HB2 -0.01 -0.04 0.03 -0.04 1.64 1.58 3h1cM1 LEU 368 HB3 0.01 -0.06 0.04 -0.04 1.64 1.60 3h1cM1 LEU 368 HG -0.02 -0.05 -0.10 -0.04 1.64 1.43 3h1cM1 LEU 368 HD13 0.00 0.03 -0.37 -0.04 0.93 0.54 3h1cM1 LEU 368 HD23 -0.05 0.01 -0.07 -0.04 0.89 0.74 3h1cM1 MET 369 H 0.01 -0.08 -0.21 -0.55 8.47 7.65 3h1cM1 MET 369 HA 0.01 0.16 0.53 -0.75 4.52 4.46 3h1cM1 MET 369 HB2 0.02 -0.09 0.10 -0.04 2.15 2.13 3h1cM1 MET 369 HB3 0.01 0.10 -0.02 -0.04 2.03 2.09 3h1cM1 MET 369 HG2 0.01 0.08 -0.12 -0.04 2.63 2.57 3h1cM1 MET 369 HG3 0.02 -0.16 -0.08 -0.04 2.56 2.29 3h1cM1 MET 369 HE3 0.02 0.01 -0.12 -0.04 2.10 1.97 3h1cM1 GLY 370 H 0.01 0.08 0.03 -0.55 8.43 8.00 3h1cM1 GLY 370 HA2 0.01 0.20 0.53 -0.51 4.01 4.24 3h1cM1 GLY 370 HA3 0.01 0.06 0.18 -0.51 4.01 3.76 3h1cM1 GLU 371 H 0.01 0.21 0.04 -0.55 8.60 8.31 3h1cM1 GLU 371 HA 0.02 0.06 0.60 -0.75 4.29 4.21 3h1cM1 GLU 371 HB2 0.01 0.00 0.05 -0.04 2.09 2.12 3h1cM1 GLU 371 HB3 0.01 0.01 0.17 -0.04 1.99 2.14 3h1cM1 GLU 371 HG2 0.02 0.01 -0.21 -0.04 2.34 2.11 3h1cM1 GLU 371 HG3 0.02 0.01 -0.25 -0.04 2.34 2.08 3h1cM1 ARG 372 H 0.02 0.27 0.28 -0.55 8.46 8.48 3h1cM1 ARG 372 HA 0.02 0.10 0.73 -0.75 4.34 4.43 3h1cM1 ARG 372 HB2 0.02 0.06 -0.01 -0.04 1.90 1.93 3h1cM1 ARG 372 HB3 0.02 -0.04 -0.02 -0.04 1.80 1.72 3h1cM1 ARG 372 HG2 0.02 0.00 0.18 -0.04 1.67 1.83 3h1cM1 ARG 372 HG3 0.03 0.01 -0.00 -0.04 1.67 1.66 3h1cM1 ARG 372 HD2 0.02 -0.02 -0.00 -0.04 3.22 3.18 3h1cM1 ARG 372 HD3 0.02 -0.09 0.00 -0.04 3.22 3.11 3h1cM1 THR 373 H 0.02 0.14 0.15 -0.55 8.28 8.05 3h1cM1 THR 373 HA 0.03 0.15 0.78 -0.75 4.39 4.58 3h1cM1 THR 373 HB 0.02 0.08 -0.12 -0.04 4.32 4.25 3h1cM1 THR 373 HG23 0.02 0.01 -0.08 -0.04 1.22 1.13 3h1cM1 ASP 374 H 0.03 0.51 0.28 -0.55 8.40 8.67 3h1cM1 ASP 374 HA 0.06 0.09 0.86 -0.75 4.63 4.88 3h1cM1 ASP 374 HB2 0.04 -0.03 0.02 -0.04 2.71 2.70 3h1cM1 ASP 374 HB3 0.04 -0.03 0.15 -0.04 2.70 2.81 3h1cM1 THR 375 H 0.09 0.12 0.14 -0.55 8.28 8.08 3h1cM1 THR 375 HA 0.06 0.11 0.69 -0.75 4.39 4.49 3h1cM1 THR 375 HB 0.12 0.01 0.10 -0.04 4.32 4.50 3h1cM1 THR 375 HG23 0.08 -0.00 -0.13 -0.04 1.22 1.13 3h1cM1 PHE 376 H 0.23 0.04 0.12 -0.55 8.34 8.18 3h1cM1 PHE 376 HA 0.07 0.15 0.72 -0.75 4.62 4.80 3h1cM1 PHE 376 HB2 0.06 0.07 0.12 -0.04 3.15 3.35 3h1cM1 PHE 376 HB3 0.05 -0.06 0.16 -0.04 3.06 3.17 3h1cM1 PHE 376 HD2 0.07 -0.02 -0.05 -0.04 7.28 7.25 3h1cM1 PHE 376 HE2 0.12 -0.03 -0.06 -0.04 7.38 7.37 3h1cM1 PHE 376 HZ 0.33 -0.03 -0.11 -0.04 7.32 7.46 3h1cM1 LEU 377 H -0.34 0.84 0.45 -0.55 8.37 8.78 3h1cM1 LEU 377 HA -0.20 0.09 0.91 -0.75 4.35 4.40 3h1cM1 LEU 377 HB2 -0.10 0.01 0.20 -0.04 1.64 1.71 3h1cM1 LEU 377 HB3 -0.14 -0.06 -0.03 -0.04 1.64 1.37 3h1cM1 LEU 377 HG -0.02 0.17 -0.33 -0.04 1.64 1.42 3h1cM1 LEU 377 HD13 0.06 -0.02 -0.07 -0.04 0.93 0.85 3h1cM1 LEU 377 HD23 0.00 -0.01 -0.08 -0.04 0.89 0.76 3h1cM1 PHE 378 H -0.21 0.21 0.14 -0.55 8.34 7.93 3h1cM1 PHE 378 HA -0.25 0.29 1.02 -0.75 4.62 4.93 3h1cM1 PHE 378 HB2 -0.23 -0.04 -0.09 -0.04 3.15 2.75 3h1cM1 PHE 378 HB3 -0.10 0.06 0.06 -0.04 3.06 3.05 3h1cM1 PHE 378 HD2 0.06 -0.03 -0.23 -0.04 7.28 7.04 3h1cM1 PHE 378 HE2 0.11 -0.04 -0.16 -0.04 7.38 7.25 3h1cM1 PHE 378 HZ 0.05 -0.07 -0.26 -0.04 7.32 7.00 3h1cM1 HIS 379 H -0.19 0.88 0.37 -0.55 8.41 8.92 3h1cM1 HIS 379 HA 0.14 0.13 1.01 -0.75 4.63 5.16 3h1cM1 HIS 379 HB2 -0.04 -0.00 0.03 -0.04 3.26 3.21 3h1cM1 HIS 379 HB3 0.02 0.02 -0.02 -0.04 3.20 3.17 3h1cM1 HIS 379 HD2 -0.06 0.01 -0.25 -0.04 6.97 6.62 3h1cM1 HIS 379 HE1 0.02 -0.03 -0.04 -0.04 7.75 7.66 3h1cM1 TYR 380 H 0.31 0.25 0.22 -0.55 8.29 8.52 3h1cM1 TYR 380 HA 0.16 0.17 1.02 -0.75 4.56 5.15 3h1cM1 TYR 380 HB2 0.25 0.01 -0.18 -0.04 3.06 3.10 3h1cM1 TYR 380 HB3 0.16 0.08 0.07 -0.04 2.98 3.25 3h1cM1 TYR 380 HD2 0.16 0.07 -0.05 -0.04 7.15 7.29 3h1cM1 TYR 380 HE2 0.18 -0.02 -0.15 -0.04 6.85 6.82 3h1cM1 ASN 381 H -0.33 0.43 0.25 -0.55 8.53 8.33 3h1cM1 ASN 381 HA -0.21 0.10 0.91 -0.75 4.76 4.81 3h1cM1 ASN 381 HB2 -0.11 0.08 0.18 -0.04 2.88 2.99 3h1cM1 ASN 381 HB3 -0.11 -0.01 -0.01 -0.04 2.79 2.61 3h1cM1 ASN 381 HD21 -0.02 -0.01 -0.18 -0.04 7.03 6.78 3h1cM1 ASN 381 HD22 -0.02 0.06 -0.14 -0.04 7.74 7.60 3h1cM1 PHE 382 H -0.10 0.16 0.04 -0.55 8.34 7.89 3h1cM1 PHE 382 HA -0.24 0.21 0.94 -0.75 4.62 4.77 3h1cM1 PHE 382 HB2 -0.14 -0.04 -0.10 -0.04 3.15 2.83 3h1cM1 PHE 382 HB3 -0.06 -0.06 0.14 -0.04 3.06 3.04 3h1cM1 PHE 382 HD2 0.04 -0.03 -0.07 -0.04 7.28 7.19 3h1cM1 PHE 382 HE2 0.03 -0.03 -0.12 -0.04 7.38 7.22 3h1cM1 PHE 382 HZ 0.02 0.02 -0.13 -0.04 7.32 7.18 3h1cM1 PRO 383 HA -0.20 0.18 0.56 -0.51 4.44 4.47 3h1cM1 PRO 383 HB2 -1.14 -0.11 0.02 -0.04 2.28 1.00 3h1cM1 PRO 383 HB3 -0.22 0.08 0.10 -0.04 2.02 1.94 3h1cM1 PRO 383 HG2 -0.52 0.14 0.05 -0.04 2.03 1.66 3h1cM1 PRO 383 HG3 -0.21 0.02 -0.03 -0.04 2.03 1.78 3h1cM1 PRO 383 HD2 -0.62 0.23 0.22 -0.04 3.68 3.48 3h1cM1 PRO 383 HD3 -0.31 0.21 -0.18 -0.04 3.65 3.33 3h1cM1 PRO 384 HA -0.15 0.07 0.35 -0.51 4.44 4.21 3h1cM1 PRO 384 HB2 -0.02 0.26 -0.12 -0.04 2.28 2.36 3h1cM1 PRO 384 HB3 -0.02 0.01 -0.08 -0.04 2.02 1.88 3h1cM1 PRO 384 HG2 0.02 0.05 0.09 -0.04 2.03 2.15 3h1cM1 PRO 384 HG3 -0.00 0.13 0.05 -0.04 2.03 2.16 3h1cM1 PRO 384 HD2 -0.08 0.08 0.22 -0.04 3.68 3.87 3h1cM1 PRO 384 HD3 -0.06 0.24 0.20 -0.04 3.65 3.98 3h1cM1 TYR 385 H -0.27 0.12 -0.26 -0.55 8.29 7.32 3h1cM1 TYR 385 HA -0.07 0.11 0.58 -0.75 4.56 4.42 3h1cM1 TYR 385 HB2 -0.06 0.04 0.11 -0.04 3.06 3.10 3h1cM1 TYR 385 HB3 -0.06 0.00 0.08 -0.04 2.98 2.97 3h1cM1 TYR 385 HD2 -0.07 0.03 -0.14 -0.04 7.15 6.94 3h1cM1 TYR 385 HE2 -0.06 -0.02 0.01 -0.04 6.85 6.74 3h1cM1 SER 386 H -0.57 0.28 -0.37 -0.55 8.46 7.25 3h1cM1 SER 386 HA -0.11 0.37 0.29 -0.75 4.49 4.30 3h1cM1 SER 386 HB2 -0.29 -0.19 -0.47 -0.04 3.95 2.95 3h1cM1 SER 386 HB3 -0.55 0.22 -0.23 -0.04 3.93 3.32 3h1cM1 VAL 387 H -0.19 0.14 -0.25 -0.55 8.24 7.39 3h1cM1 VAL 387 HA -0.05 0.16 0.85 -0.75 4.13 4.34 3h1cM1 VAL 387 HB -0.02 0.01 -0.01 -0.04 2.12 2.06 3h1cM1 VAL 387 HG13 0.14 0.01 -0.07 -0.04 0.97 1.02 3h1cM1 VAL 387 HG23 -0.02 -0.01 -0.04 -0.04 0.95 0.84 3h1cM1 GLY 388 H -0.04 0.13 -0.05 -0.55 8.43 7.92 3h1cM1 GLY 388 HA2 0.00 0.05 0.28 -0.51 4.01 3.83 3h1cM1 GLY 388 HA3 -0.02 0.13 0.77 -0.51 4.01 4.37 3h1cM1 GLU 389 H -0.01 0.42 0.23 -0.55 8.60 8.70 3h1cM1 GLU 389 HA 0.00 0.14 0.59 -0.75 4.29 4.27 3h1cM1 GLU 389 HB2 0.01 -0.07 0.17 -0.04 2.09 2.16 3h1cM1 GLU 389 HB3 0.00 0.10 -0.16 -0.04 1.99 1.89 3h1cM1 GLU 389 HG2 -0.00 -0.06 -0.11 -0.04 2.34 2.12 3h1cM1 GLU 389 HG3 0.01 0.02 -0.23 -0.04 2.34 2.09 3h1cM1 THR 390 H 0.01 0.19 0.17 -0.55 8.28 8.09 3h1cM1 THR 390 HA 0.01 0.18 0.95 -0.75 4.39 4.78 3h1cM1 THR 390 HB 0.01 0.02 0.03 -0.04 4.32 4.34 3h1cM1 THR 390 HG23 0.01 0.01 -0.10 -0.04 1.22 1.09 3h1cM1 GLY 391 H 0.01 0.31 0.22 -0.55 8.43 8.42 3h1cM1 GLY 391 HA2 0.01 0.07 0.47 -0.51 4.01 4.05 3h1cM1 GLY 391 HA3 0.01 0.06 0.36 -0.51 4.01 3.93 3h1cM1 MET 392 H 0.01 0.09 0.16 -0.55 8.47 8.18 3h1cM1 MET 392 HA 0.01 0.10 0.46 -0.75 4.52 4.34 3h1cM1 MET 392 HB2 0.01 -0.02 0.11 -0.04 2.15 2.21 3h1cM1 MET 392 HB3 0.00 -0.04 0.09 -0.04 2.03 2.04 3h1cM1 MET 392 HG2 0.00 -0.01 0.09 -0.04 2.63 2.67 3h1cM1 MET 392 HG3 0.00 0.03 0.05 -0.04 2.56 2.59 3h1cM1 MET 392 HE3 0.00 -0.01 0.01 -0.04 2.10 2.06 3h1cM1 VAL 393 H 0.00 0.15 0.07 -0.55 8.24 7.91 3h1cM1 VAL 393 HA -0.00 0.17 0.83 -0.75 4.13 4.38 3h1cM1 VAL 393 HB 0.01 -0.01 0.15 -0.04 2.12 2.22 3h1cM1 VAL 393 HG13 0.00 0.01 0.12 -0.04 0.97 1.06 3h1cM1 VAL 393 HG23 0.01 0.03 -0.10 -0.04 0.95 0.85 3h1cM1 GLY 394 H 0.00 0.04 -0.06 -0.55 8.43 7.87 3h1cM1 GLY 394 HA2 -0.00 0.23 0.94 -0.51 4.01 4.66 3h1cM1 GLY 394 HA3 0.00 -0.07 0.34 -0.51 4.01 3.77 3h1cM1 SER 395 H 0.01 0.00 0.00 -0.55 8.46 7.93 3h1cM1 SER 395 HA 0.00 0.22 0.74 -0.75 4.49 4.69 3h1cM1 SER 395 HB2 0.01 -0.05 0.01 -0.04 3.95 3.88 3h1cM1 SER 395 HB3 0.02 0.06 0.18 -0.04 3.93 4.14 3h1cM1 PRO 396 HA 0.03 0.06 0.79 -0.51 4.44 4.81 3h1cM1 PRO 396 HB2 0.07 0.03 -0.06 -0.04 2.28 2.27 3h1cM1 PRO 396 HB3 0.06 0.12 0.02 -0.04 2.02 2.17 3h1cM1 PRO 396 HG2 0.05 0.01 0.15 -0.04 2.03 2.20 3h1cM1 PRO 396 HG3 0.07 0.06 0.05 -0.04 2.03 2.17 3h1cM1 PRO 396 HD2 0.02 0.11 0.20 -0.04 3.68 3.97 3h1cM1 PRO 396 HD3 0.02 0.20 0.00 -0.04 3.65 3.83 3h1cM1 LYS 397 H 0.03 0.13 0.10 -0.55 8.42 8.12 3h1cM1 LYS 397 HA 0.01 0.13 0.34 -0.75 4.32 4.05 3h1cM1 LYS 397 HB2 0.02 -0.06 0.10 -0.04 1.87 1.89 3h1cM1 LYS 397 HB3 0.00 -0.06 0.18 -0.04 1.79 1.87 3h1cM1 LYS 397 HG2 0.01 0.04 0.05 -0.04 1.46 1.53 3h1cM1 LYS 397 HG3 0.02 0.02 0.06 -0.04 1.46 1.52 3h1cM1 LYS 397 HD2 0.04 0.02 0.04 -0.04 1.69 1.75 3h1cM1 LYS 397 HD3 0.01 0.02 0.05 -0.04 1.68 1.71 3h1cM1 LYS 397 HE2 0.03 0.04 0.03 -0.04 2.99 3.04 3h1cM1 LYS 397 HE3 0.01 -0.02 0.02 -0.04 2.99 2.97 3h1cM1 ARG 398 H -0.01 0.19 0.18 -0.55 8.46 8.27 3h1cM1 ARG 398 HA -0.01 0.14 0.43 -0.75 4.34 4.14 3h1cM1 ARG 398 HB2 -0.02 0.00 0.14 -0.04 1.90 1.97 3h1cM1 ARG 398 HB3 -0.02 0.06 0.08 -0.04 1.80 1.87 3h1cM1 ARG 398 HG2 0.00 0.03 0.09 -0.04 1.67 1.75 3h1cM1 ARG 398 HG3 -0.00 -0.04 0.12 -0.04 1.67 1.70 3h1cM1 ARG 398 HD2 -0.00 0.05 0.06 -0.04 3.22 3.28 3h1cM1 ARG 398 HD3 0.00 0.03 0.06 -0.04 3.22 3.27 3h1cM1 ARG 399 H -0.05 0.06 -0.21 -0.55 8.46 7.71 3h1cM1 ARG 399 HA -0.24 0.16 0.49 -0.75 4.34 3.99 3h1cM1 ARG 399 HB2 -0.08 0.01 0.07 -0.04 1.90 1.86 3h1cM1 ARG 399 HB3 -0.11 0.02 -0.04 -0.04 1.80 1.63 3h1cM1 ARG 399 HG2 -0.26 -0.01 -0.03 -0.04 1.67 1.33 3h1cM1 ARG 399 HG3 -0.17 0.04 0.04 -0.04 1.67 1.54 3h1cM1 ARG 399 HD2 -0.05 -0.00 -0.01 -0.04 3.22 3.12 3h1cM1 ARG 399 HD3 -0.07 0.01 -0.04 -0.04 3.22 3.08 3h1cM1 GLU 400 H -0.01 0.15 -0.30 -0.55 8.60 7.89 3h1cM1 GLU 400 HA 0.26 0.12 0.54 -0.75 4.29 4.46 3h1cM1 GLU 400 HB2 0.20 0.09 0.01 -0.04 2.09 2.35 3h1cM1 GLU 400 HB3 0.17 -0.00 -0.01 -0.04 1.99 2.10 3h1cM1 GLU 400 HG2 0.05 -0.07 -0.01 -0.04 2.34 2.26 3h1cM1 GLU 400 HG3 0.08 0.13 -0.13 -0.04 2.34 2.37 3h1cM1 ILE 401 H -0.01 0.20 -0.46 -0.55 8.25 7.43 3h1cM1 ILE 401 HA 0.09 0.17 0.82 -0.75 4.18 4.50 3h1cM1 ILE 401 HB 0.00 0.07 0.09 -0.04 1.89 2.01 3h1cM1 ILE 401 HG12 0.06 -0.04 0.03 -0.04 1.49 1.50 3h1cM1 ILE 401 HG13 0.05 0.06 -0.14 -0.04 1.21 1.14 3h1cM1 ILE 401 HG23 0.03 -0.01 -0.04 -0.04 0.93 0.86 3h1cM1 ILE 401 HD13 0.03 0.00 -0.03 -0.04 0.88 0.84 3h1cM1 GLY 402 H -0.09 0.32 -0.04 -0.55 8.43 8.08 3h1cM1 GLY 402 HA2 -0.03 0.06 0.44 -0.51 4.01 3.97 3h1cM1 GLY 402 HA3 -0.08 0.14 0.30 -0.51 4.01 3.87 3h1cM1 HIS 403 H -0.16 0.30 -0.24 -0.55 8.41 7.76 3h1cM1 HIS 403 HA -0.21 0.08 0.51 -0.75 4.63 4.26 3h1cM1 HIS 403 HB2 -0.39 0.02 -0.03 -0.04 3.26 2.82 3h1cM1 HIS 403 HB3 -0.71 -0.03 -0.03 -0.04 3.20 2.38 3h1cM1 HIS 403 HD2 -0.04 -0.07 -0.12 -0.04 6.97 6.70 3h1cM1 HIS 403 HE1 -0.09 0.02 -0.02 -0.04 7.75 7.62 3h1cM1 GLY 404 H 0.06 0.20 -0.63 -0.55 8.43 7.50 3h1cM1 GLY 404 HA2 0.13 0.03 0.35 -0.51 4.01 4.01 3h1cM1 GLY 404 HA3 0.15 0.16 0.24 -0.51 4.01 4.05 3h1cM1 ARG 405 H -0.01 0.36 -0.14 -0.55 8.46 8.12 3h1cM1 ARG 405 HA -0.04 0.09 0.56 -0.75 4.34 4.20 3h1cM1 ARG 405 HB2 -0.01 0.04 0.10 -0.04 1.90 1.99 3h1cM1 ARG 405 HB3 -0.03 0.09 0.07 -0.04 1.80 1.90 3h1cM1 ARG 405 HG2 -0.01 -0.02 -0.02 -0.04 1.67 1.58 3h1cM1 ARG 405 HG3 -0.03 -0.02 -0.04 -0.04 1.67 1.54 3h1cM1 ARG 405 HD2 0.01 0.01 -0.01 -0.04 3.22 3.19 3h1cM1 ARG 405 HD3 0.01 0.00 0.05 -0.04 3.22 3.24 3h1cM1 LEU 406 H -0.09 0.27 -0.40 -0.55 8.37 7.61 3h1cM1 LEU 406 HA -0.10 0.07 0.40 -0.75 4.35 3.96 3h1cM1 LEU 406 HB2 -0.06 0.22 0.20 -0.04 1.64 1.96 3h1cM1 LEU 406 HB3 -0.16 0.07 0.05 -0.04 1.64 1.56 3h1cM1 LEU 406 HG -0.09 0.00 0.01 -0.04 1.64 1.52 3h1cM1 LEU 406 HD13 -0.09 -0.00 -0.06 -0.04 0.93 0.74 3h1cM1 LEU 406 HD23 -0.15 -0.02 -0.18 -0.04 0.89 0.49 3h1cM1 ALA 407 H -0.30 0.42 -0.26 -0.55 8.40 7.71 3h1cM1 ALA 407 HA -0.29 0.04 0.46 -0.75 4.34 3.80 3h1cM1 ALA 407 HB3 -0.61 0.03 -0.03 -0.04 1.41 0.75 3h1cM1 LYS 408 H -0.36 0.21 -0.53 -0.55 8.42 7.19 3h1cM1 LYS 408 HA 0.05 0.06 0.45 -0.75 4.32 4.13 3h1cM1 LYS 408 HB2 -0.03 0.16 0.15 -0.04 1.87 2.12 3h1cM1 LYS 408 HB3 -0.02 0.11 0.16 -0.04 1.79 2.00 3h1cM1 LYS 408 HG2 0.22 -0.02 -0.13 -0.04 1.46 1.49 3h1cM1 LYS 408 HG3 0.44 -0.02 -0.04 -0.04 1.46 1.80 3h1cM1 LYS 408 HD2 0.05 -0.05 0.04 -0.04 1.69 1.69 3h1cM1 LYS 408 HD3 0.05 -0.04 0.02 -0.04 1.68 1.67 3h1cM1 LYS 408 HE2 0.23 0.21 0.02 -0.04 2.99 3.42 3h1cM1 LYS 408 HE3 0.07 -0.05 0.04 -0.04 2.99 3.01 3h1cM1 ARG 409 H -0.11 0.48 -0.22 -0.55 8.46 8.05 3h1cM1 ARG 409 HA -0.04 0.05 0.47 -0.75 4.34 4.06 3h1cM1 ARG 409 HB2 -0.08 0.13 0.14 -0.04 1.90 2.04 3h1cM1 ARG 409 HB3 -0.06 0.02 0.14 -0.04 1.80 1.85 3h1cM1 ARG 409 HG2 -0.03 -0.05 0.02 -0.04 1.67 1.57 3h1cM1 ARG 409 HG3 -0.04 0.12 0.06 -0.04 1.67 1.77 3h1cM1 ARG 409 HD2 -0.06 -0.00 -0.01 -0.04 3.22 3.11 3h1cM1 ARG 409 HD3 -0.04 0.03 -0.12 -0.04 3.22 3.05 3h1cM1 GLY 410 H -0.13 0.21 -0.50 -0.55 8.43 7.46 3h1cM1 GLY 410 HA2 -0.09 0.04 0.33 -0.51 4.01 3.78 3h1cM1 GLY 410 HA3 -0.11 0.00 0.19 -0.51 4.01 3.59 3h1cM1 VAL 411 H -0.08 0.21 -0.45 -0.55 8.24 7.38 3h1cM1 VAL 411 HA -0.08 0.17 0.85 -0.75 4.13 4.32 3h1cM1 VAL 411 HB 0.11 0.08 0.01 -0.04 2.12 2.27 3h1cM1 VAL 411 HG13 0.01 -0.01 -0.08 -0.04 0.97 0.85 3h1cM1 VAL 411 HG23 0.12 0.04 -0.14 -0.04 0.95 0.94 3h1cM1 LEU 412 H -0.17 0.34 0.01 -0.55 8.37 8.01 3h1cM1 LEU 412 HA -0.52 0.04 0.35 -0.75 4.35 3.47 3h1cM1 LEU 412 HB2 -0.10 0.21 0.17 -0.04 1.64 1.87 3h1cM1 LEU 412 HB3 -0.09 0.02 0.05 -0.04 1.64 1.58 3h1cM1 LEU 412 HG -0.13 -0.01 0.06 -0.04 1.64 1.52 3h1cM1 LEU 412 HD13 0.07 -0.02 -0.02 -0.04 0.93 0.93 3h1cM1 LEU 412 HD23 -0.04 0.01 -0.14 -0.04 0.89 0.67 3h1cM1 ALA 413 H -0.11 0.13 -0.34 -0.55 8.40 7.53 3h1cM1 ALA 413 HA -0.07 0.11 0.41 -0.75 4.34 4.04 3h1cM1 ALA 413 HB3 -0.06 -0.02 0.07 -0.04 1.41 1.36 3h1cM1 VAL 414 H -0.12 0.21 -0.40 -0.55 8.24 7.38 3h1cM1 VAL 414 HA -0.06 0.06 0.62 -0.75 4.13 4.00 3h1cM1 VAL 414 HB -0.08 0.12 0.09 -0.04 2.12 2.20 3h1cM1 VAL 414 HG13 -0.04 0.01 0.05 -0.04 0.97 0.94 3h1cM1 VAL 414 HG23 -0.06 -0.03 -0.07 -0.04 0.95 0.75 3h1cM1 MET 415 H -0.19 0.30 -0.04 -0.55 8.47 7.99 3h1cM1 MET 415 HA -0.10 -0.01 0.34 -0.75 4.52 4.00 3h1cM1 MET 415 HB2 -0.31 0.05 0.12 -0.04 2.15 1.98 3h1cM1 MET 415 HB3 -0.14 0.10 -0.01 -0.04 2.03 1.94 3h1cM1 MET 415 HG2 -0.40 0.06 -0.06 -0.04 2.63 2.19 3h1cM1 MET 415 HG3 -1.04 -0.10 -0.08 -0.04 2.56 1.30 3h1cM1 MET 415 HE3 0.18 0.00 -0.03 -0.04 2.10 2.21 3h1cM1 PRO 416 HA -0.00 0.05 0.54 -0.51 4.44 4.52 3h1cM1 PRO 416 HB2 0.08 -0.08 0.06 -0.04 2.28 2.30 3h1cM1 PRO 416 HB3 0.01 0.11 0.16 -0.04 2.02 2.26 3h1cM1 PRO 416 HG2 0.08 0.02 0.01 -0.04 2.03 2.10 3h1cM1 PRO 416 HG3 -0.06 0.18 -0.04 -0.04 2.03 2.07 3h1cM1 PRO 416 HD2 -0.04 -0.01 0.12 -0.04 3.68 3.71 3h1cM1 PRO 416 HD3 -0.06 0.14 0.11 -0.04 3.65 3.80 3h1cM1 ASP 417 H 0.03 0.03 0.18 -0.55 8.40 8.09 3h1cM1 ASP 417 HA 0.03 0.21 0.49 -0.75 4.63 4.60 3h1cM1 ASP 417 HB2 0.02 -0.10 0.21 -0.04 2.71 2.79 3h1cM1 ASP 417 HB3 0.01 0.14 0.14 -0.04 2.70 2.95 3h1cM1 MET 418 H 0.02 0.14 0.14 -0.55 8.47 8.22 3h1cM1 MET 418 HA 0.03 0.30 0.35 -0.75 4.52 4.45 3h1cM1 MET 418 HB2 0.01 -0.04 0.09 -0.04 2.15 2.17 3h1cM1 MET 418 HB3 -0.01 0.02 0.07 -0.04 2.03 2.07 3h1cM1 MET 418 HG2 0.03 -0.00 0.01 -0.04 2.63 2.63 3h1cM1 MET 418 HG3 0.01 -0.01 0.02 -0.04 2.56 2.54 3h1cM1 MET 418 HE3 -0.04 -0.01 -0.04 -0.04 2.10 1.98 3h1cM1 ASP 419 H 0.02 -0.06 -0.38 -0.55 8.40 7.44 3h1cM1 ASP 419 HA -0.01 0.22 0.73 -0.75 4.63 4.81 3h1cM1 ASP 419 HB2 0.01 -0.06 0.03 -0.04 2.71 2.66 3h1cM1 ASP 419 HB3 0.01 0.05 -0.03 -0.04 2.70 2.69 3h1cM1 LYS 420 H 0.05 -0.03 -0.12 -0.55 8.42 7.76 3h1cM1 LYS 420 HA 0.06 0.11 0.56 -0.75 4.32 4.31 3h1cM1 LYS 420 HB2 0.05 -0.10 0.09 -0.04 1.87 1.87 3h1cM1 LYS 420 HB3 0.09 0.04 0.07 -0.04 1.79 1.95 3h1cM1 LYS 420 HG2 0.10 0.07 -0.05 -0.04 1.46 1.54 3h1cM1 LYS 420 HG3 0.06 -0.03 0.06 -0.04 1.46 1.51 3h1cM1 LYS 420 HD2 0.03 -0.07 0.03 -0.04 1.69 1.64 3h1cM1 LYS 420 HD3 0.04 0.07 0.03 -0.04 1.68 1.78 3h1cM1 LYS 420 HE2 0.03 -0.05 0.01 -0.04 2.99 2.94 3h1cM1 LYS 420 HE3 0.02 0.00 -0.00 -0.04 2.99 2.97 3h1cM1 PHE 421 H 0.17 0.29 -0.21 -0.55 8.34 8.04 3h1cM1 PHE 421 HA 0.10 0.20 0.69 -0.75 4.62 4.87 3h1cM1 PHE 421 HB2 0.06 0.03 -0.15 -0.04 3.15 3.05 3h1cM1 PHE 421 HB3 0.07 0.03 0.10 -0.04 3.06 3.22 3h1cM1 PHE 421 HD2 0.12 0.05 -0.00 -0.04 7.28 7.40 3h1cM1 PHE 421 HE2 0.05 0.01 -0.10 -0.04 7.38 7.29 3h1cM1 PHE 421 HZ -0.08 -0.02 -0.13 -0.04 7.32 7.04 3h1cM1 PRO 422 HA -0.15 0.11 0.55 -0.51 4.44 4.43 3h1cM1 PRO 422 HB2 -0.36 -0.10 0.22 -0.04 2.28 2.01 3h1cM1 PRO 422 HB3 -0.17 0.26 0.11 -0.04 2.02 2.19 3h1cM1 PRO 422 HG2 -0.43 -0.04 0.03 -0.04 2.03 1.55 3h1cM1 PRO 422 HG3 -0.16 0.09 -0.04 -0.04 2.03 1.89 3h1cM1 PRO 422 HD2 -0.34 0.08 -0.05 -0.04 3.68 3.33 3h1cM1 PRO 422 HD3 -0.06 0.25 -0.28 -0.04 3.65 3.52 3h1cM1 TYR 423 H -0.18 0.47 -0.23 -0.55 8.29 7.80 3h1cM1 TYR 423 HA -0.15 0.08 0.73 -0.75 4.56 4.46 3h1cM1 TYR 423 HB2 -0.72 -0.02 -0.12 -0.04 3.06 2.15 3h1cM1 TYR 423 HB3 -0.16 0.08 0.03 -0.04 2.98 2.89 3h1cM1 TYR 423 HD2 -0.83 0.07 -0.09 -0.04 7.15 6.27 3h1cM1 TYR 423 HE2 -0.18 -0.04 -0.05 -0.04 6.85 6.55 3h1cM1 THR 424 H 0.09 0.25 -0.10 -0.55 8.28 7.97 3h1cM1 THR 424 HA 0.10 0.08 0.50 -0.75 4.39 4.31 3h1cM1 THR 424 HB 0.05 -0.13 -0.08 -0.04 4.32 4.12 3h1cM1 THR 424 HG23 0.04 0.05 -0.23 -0.04 1.22 1.04 3h1cM1 VAL 425 H 0.13 0.25 0.17 -0.55 8.24 8.25 3h1cM1 VAL 425 HA 0.08 0.36 1.06 -0.75 4.13 4.88 3h1cM1 VAL 425 HB 0.27 -0.08 0.14 -0.04 2.12 2.41 3h1cM1 VAL 425 HG13 0.10 -0.01 -0.15 -0.04 0.97 0.87 3h1cM1 VAL 425 HG23 0.30 0.06 -0.15 -0.04 0.95 1.12 3h1cM1 ARG 426 H -0.01 0.69 0.30 -0.55 8.46 8.89 3h1cM1 ARG 426 HA -0.13 0.19 1.01 -0.75 4.34 4.66 3h1cM1 ARG 426 HB2 0.01 0.03 -0.09 -0.04 1.90 1.81 3h1cM1 ARG 426 HB3 -0.01 -0.05 0.11 -0.04 1.80 1.82 3h1cM1 ARG 426 HG2 0.04 -0.04 -0.30 -0.04 1.67 1.32 3h1cM1 ARG 426 HG3 0.14 -0.01 -0.12 -0.04 1.67 1.63 3h1cM1 ARG 426 HD2 0.05 0.04 -0.09 -0.04 3.22 3.17 3h1cM1 ARG 426 HD3 0.01 -0.01 -0.09 -0.04 3.22 3.08 3h1cM1 VAL 427 H -0.34 0.84 0.30 -0.55 8.24 8.50 3h1cM1 VAL 427 HA -0.20 0.31 1.10 -0.75 4.13 4.59 3h1cM1 VAL 427 HB -0.93 -0.05 0.21 -0.04 2.12 1.31 3h1cM1 VAL 427 HG13 -0.36 -0.01 -0.16 -0.04 0.97 0.40 3h1cM1 VAL 427 HG23 -0.08 0.01 -0.11 -0.04 0.95 0.73 3h1cM1 VAL 428 H -0.14 0.61 0.31 -0.55 8.24 8.48 3h1cM1 VAL 428 HA -0.08 0.20 1.02 -0.75 4.13 4.51 3h1cM1 VAL 428 HB -0.03 -0.02 0.09 -0.04 2.12 2.11 3h1cM1 VAL 428 HG13 -0.00 -0.00 -0.18 -0.04 0.97 0.74 3h1cM1 VAL 428 HG23 -0.01 0.01 -0.20 -0.04 0.95 0.70 3h1cM1 SER 429 H 0.04 0.67 0.36 -0.55 8.46 8.99 3h1cM1 SER 429 HA 0.05 0.17 0.91 -0.75 4.49 4.88 3h1cM1 SER 429 HB2 0.22 0.01 -0.07 -0.04 3.95 4.07 3h1cM1 SER 429 HB3 0.39 -0.04 0.16 -0.04 3.93 4.39 3h1cM1 GLU 430 H 0.06 0.51 0.08 -0.55 8.60 8.71 3h1cM1 GLU 430 HA -0.03 0.16 1.00 -0.75 4.29 4.67 3h1cM1 GLU 430 HB2 0.04 0.05 0.24 -0.04 2.09 2.37 3h1cM1 GLU 430 HB3 0.04 -0.00 -0.02 -0.04 1.99 1.97 3h1cM1 GLU 430 HG2 0.01 0.03 -0.26 -0.04 2.34 2.09 3h1cM1 GLU 430 HG3 0.02 -0.01 -0.06 -0.04 2.34 2.25 3h1cM1 ILE 431 H -0.09 0.46 0.22 -0.55 8.25 8.30 3h1cM1 ILE 431 HA 0.06 0.14 0.78 -0.75 4.18 4.40 3h1cM1 ILE 431 HB -0.18 0.00 0.28 -0.04 1.89 1.95 3h1cM1 ILE 431 HG12 0.10 0.10 0.07 -0.04 1.49 1.72 3h1cM1 ILE 431 HG13 0.51 -0.07 0.01 -0.04 1.21 1.61 3h1cM1 ILE 431 HG23 0.05 0.01 -0.11 -0.04 0.93 0.84 3h1cM1 ILE 431 HD13 0.30 -0.02 0.03 -0.04 0.88 1.15 3h1cM1 THR 432 H 0.04 0.17 0.17 -0.55 8.28 8.12 3h1cM1 THR 432 HA 0.15 0.17 0.72 -0.75 4.39 4.67 3h1cM1 THR 432 HB 0.11 0.04 0.01 -0.04 4.32 4.44 3h1cM1 THR 432 HG23 0.10 0.03 -0.09 -0.04 1.22 1.23 3h1cM1 GLU 433 H 0.04 0.09 0.30 -0.55 8.60 8.48 3h1cM1 GLU 433 HA -0.00 0.42 0.84 -0.75 4.29 4.79 3h1cM1 GLU 433 HB2 0.05 -0.32 -0.03 -0.04 2.09 1.75 3h1cM1 GLU 433 HB3 0.03 0.29 0.01 -0.04 1.99 2.27 3h1cM1 GLU 433 HG2 0.03 0.16 0.03 -0.04 2.34 2.52 3h1cM1 GLU 433 HG3 0.04 -0.07 -0.44 -0.04 2.34 1.83 3h1cM1 SER 434 H 0.01 0.49 0.20 -0.55 8.46 8.62 3h1cM1 SER 434 HA 0.11 0.11 1.38 -0.75 4.49 5.34 3h1cM1 SER 434 HB2 0.18 -0.03 -0.19 -0.04 3.95 3.87 3h1cM1 SER 434 HB3 0.08 0.09 0.15 -0.04 3.93 4.21 3h1cM1 ASN 435 H 0.09 -0.06 0.03 -0.55 8.53 8.05 3h1cM1 ASN 435 HA 0.06 0.19 0.86 -0.75 4.76 5.12 3h1cM1 ASN 435 HB2 0.06 0.21 -0.19 -0.04 2.88 2.92 3h1cM1 ASN 435 HB3 0.07 -0.25 0.17 -0.04 2.79 2.74 3h1cM1 ASN 435 HD21 0.08 -0.01 0.07 -0.04 7.03 7.13 3h1cM1 ASN 435 HD22 0.06 0.11 0.13 -0.04 7.74 8.00 3h1cM1 GLY 436 H 0.07 -0.00 0.10 -0.55 8.43 8.06 3h1cM1 GLY 436 HA2 0.08 0.24 0.54 -0.51 4.01 4.36 3h1cM1 GLY 436 HA3 0.06 0.38 0.40 -0.51 4.01 4.34 3h1cM1 SER 437 H 0.06 0.08 0.12 -0.55 8.46 8.18 3h1cM1 SER 437 HA -0.00 0.19 0.44 -0.75 4.49 4.37 3h1cM1 SER 438 H 0.08 0.11 -0.06 -0.55 8.46 8.05 3h1cM1 SER 438 HA 0.18 0.14 0.37 -0.75 4.49 4.42 3h1cM1 SER 438 HB2 0.25 0.05 -0.01 -0.04 3.95 4.20 3h1cM1 SER 438 HB3 0.19 -0.09 -0.12 -0.04 3.93 3.86 3h1cM1 SER 439 H -0.04 0.85 -1.43 -0.55 8.46 7.30 3h1cM1 SER 439 HA -0.07 0.12 0.32 -0.75 4.49 4.10 3h1cM1 SER 439 HB2 -0.34 0.04 -0.01 -0.04 3.95 3.60 3h1cM1 SER 439 HB3 -0.21 0.10 0.05 -0.04 3.93 3.83 3h1cM1 MET 440 H -0.04 -0.02 -0.11 -0.55 8.47 7.75 3h1cM1 MET 440 HA -0.09 0.13 0.33 -0.75 4.52 4.14 3h1cM1 MET 440 HB2 -0.01 -0.12 0.06 -0.04 2.15 2.04 3h1cM1 MET 440 HB3 -0.04 0.45 -0.17 -0.04 2.03 2.23 3h1cM1 MET 440 HG2 -0.05 0.00 -0.02 -0.04 2.63 2.52 3h1cM1 MET 440 HG3 -0.02 -0.13 -0.01 -0.04 2.56 2.36 3h1cM1 MET 440 HE3 -0.12 -0.00 -0.29 -0.04 2.10 1.65 3h1cM1 ALA 441 H 0.00 -0.01 -0.46 -0.55 8.40 7.38 3h1cM1 ALA 441 HA -0.35 0.18 0.50 -0.75 4.34 3.90 3h1cM1 ALA 441 HB3 0.17 0.03 -0.11 -0.04 1.41 1.46 3h1cM1 SER 442 H 0.01 0.15 -0.32 -0.55 8.46 7.75 3h1cM1 SER 442 HA 0.10 0.05 0.29 -0.75 4.49 4.18 3h1cM1 SER 442 HB2 0.14 0.05 0.07 -0.04 3.95 4.17 3h1cM1 SER 442 HB3 0.03 0.10 0.06 -0.04 3.93 4.08 3h1cM1 VAL 443 H -0.06 0.29 -0.23 -0.55 8.24 7.69 3h1cM1 VAL 443 HA 0.02 0.07 0.25 -0.75 4.13 3.71 3h1cM1 VAL 443 HB -0.10 0.04 -0.09 -0.04 2.12 1.93 3h1cM1 VAL 443 HG13 -0.07 0.01 -0.25 -0.04 0.97 0.63 3h1cM1 VAL 443 HG23 -0.14 0.03 -0.01 -0.04 0.95 0.79 3h1cM1 CYS 444 H -0.21 0.16 -0.50 -0.55 8.50 7.40 3h1cM1 CYS 444 HA -0.17 0.28 0.66 -0.75 4.58 4.60 3h1cM1 CYS 444 HB2 -1.07 0.16 0.22 -0.04 2.97 2.24 3h1cM1 CYS 444 HB3 -0.83 -0.02 0.08 -0.04 2.97 2.16 3h1cM1 GLY 445 H -0.13 0.58 0.06 -0.55 8.43 8.40 3h1cM1 GLY 445 HA2 0.08 -0.01 0.44 -0.51 4.01 4.01 3h1cM1 GLY 445 HA3 0.07 0.01 0.31 -0.51 4.01 3.89 3h1cM1 ALA 446 H 0.09 0.64 -0.20 -0.55 8.40 8.38 3h1cM1 ALA 446 HA 0.10 0.01 0.37 -0.75 4.34 4.07 3h1cM1 ALA 446 HB3 0.33 0.04 -0.03 -0.04 1.41 1.70 3h1cM1 SER 447 H 0.04 0.43 -0.18 -0.55 8.46 8.21 3h1cM1 SER 447 HA 0.04 0.05 0.46 -0.75 4.49 4.28 3h1cM1 SER 447 HB2 0.01 0.05 0.24 -0.04 3.95 4.21 3h1cM1 SER 447 HB3 0.01 0.22 0.21 -0.04 3.93 4.32 3h1cM1 LEU 448 H 0.05 0.29 -0.28 -0.55 8.37 7.88 3h1cM1 LEU 448 HA 0.04 0.12 0.50 -0.75 4.35 4.26 3h1cM1 LEU 448 HB2 0.08 0.05 0.10 -0.04 1.64 1.83 3h1cM1 LEU 448 HB3 0.07 -0.03 0.05 -0.04 1.64 1.70 3h1cM1 LEU 448 HG 0.08 0.27 0.11 -0.04 1.64 2.06 3h1cM1 LEU 448 HD13 0.28 -0.05 -0.08 -0.04 0.93 1.04 3h1cM1 LEU 448 HD23 0.09 -0.01 -0.01 -0.04 0.89 0.93 3h1cM1 ALA 449 H 0.05 0.42 -0.29 -0.55 8.40 8.03 3h1cM1 ALA 449 HA 0.03 0.05 0.36 -0.75 4.34 4.02 3h1cM1 ALA 449 HB3 0.03 0.02 -0.20 -0.04 1.41 1.22 3h1cM1 LEU 450 H 0.04 0.47 -0.21 -0.55 8.37 8.13 3h1cM1 LEU 450 HA 0.01 0.02 0.49 -0.75 4.35 4.11 3h1cM1 LEU 450 HB2 0.02 0.11 0.11 -0.04 1.64 1.84 3h1cM1 LEU 450 HB3 -0.01 0.02 0.01 -0.04 1.64 1.62 3h1cM1 LEU 450 HG 0.09 0.09 0.01 -0.04 1.64 1.79 3h1cM1 LEU 450 HD13 0.10 -0.02 -0.11 -0.04 0.93 0.86 3h1cM1 LEU 450 HD23 0.11 -0.02 -0.07 -0.04 0.89 0.87 3h1cM1 MET 451 H 0.01 0.37 -0.25 -0.55 8.47 8.05 3h1cM1 MET 451 HA -0.02 0.03 0.49 -0.75 4.52 4.28 3h1cM1 MET 451 HB2 0.01 0.07 0.07 -0.04 2.15 2.27 3h1cM1 MET 451 HB3 0.00 0.01 -0.14 -0.04 2.03 1.86 3h1cM1 MET 451 HG2 -0.01 -0.04 -0.12 -0.04 2.63 2.42 3h1cM1 MET 451 HG3 -0.00 0.06 -0.00 -0.04 2.56 2.58 3h1cM1 MET 451 HE3 -0.01 0.00 -0.18 -0.04 2.10 1.88 3h1cM1 ASP 452 H 0.02 0.23 -0.34 -0.55 8.40 7.76 3h1cM1 ASP 452 HA 0.01 0.10 0.56 -0.75 4.63 4.55 3h1cM1 ASP 452 HB2 0.02 0.14 0.27 -0.04 2.71 3.11 3h1cM1 ASP 452 HB3 0.03 -0.12 0.29 -0.04 2.70 2.86 3h1cM1 ALA 453 H 0.02 0.21 -0.19 -0.55 8.40 7.89 3h1cM1 ALA 453 HA 0.06 0.31 0.49 -0.75 4.34 4.45 3h1cM1 ALA 453 HB3 0.04 -0.05 -0.11 -0.04 1.41 1.25 3h1cM1 GLY 454 H -0.02 0.22 -0.22 -0.55 8.43 7.87 3h1cM1 GLY 454 HA2 -0.03 -0.04 0.19 -0.51 4.01 3.62 3h1cM1 GLY 454 HA3 -0.01 0.17 0.77 -0.51 4.01 4.43 3h1cM1 VAL 455 H -0.09 0.58 0.19 -0.55 8.24 8.37 3h1cM1 VAL 455 HA -0.59 0.17 0.59 -0.75 4.13 3.54 3h1cM1 VAL 455 HB -0.12 -0.09 0.10 -0.04 2.12 1.97 3h1cM1 VAL 455 HG13 -0.36 -0.01 -0.18 -0.04 0.97 0.38 3h1cM1 VAL 455 HG23 -0.10 -0.01 -0.08 -0.04 0.95 0.72 3h1cM1 PRO 456 HA -0.09 0.10 0.34 -0.51 4.44 4.28 3h1cM1 PRO 456 HB2 -0.04 -0.02 0.14 -0.04 2.28 2.33 3h1cM1 PRO 456 HB3 -0.05 0.05 0.08 -0.04 2.02 2.05 3h1cM1 PRO 456 HG2 -0.14 -0.04 0.06 -0.04 2.03 1.87 3h1cM1 PRO 456 HG3 -0.01 0.06 0.06 -0.04 2.03 2.10 3h1cM1 PRO 456 HD2 -1.17 0.01 0.14 -0.04 3.68 2.62 3h1cM1 PRO 456 HD3 -0.40 0.36 0.29 -0.04 3.65 3.86 3h1cM1 ILE 457 H -0.08 0.40 0.26 -0.55 8.25 8.28 3h1cM1 ILE 457 HA -0.06 0.14 0.61 -0.75 4.18 4.11 3h1cM1 ILE 457 HB -0.05 -0.05 -0.02 -0.04 1.89 1.74 3h1cM1 ILE 457 HG12 -0.05 0.16 0.04 -0.04 1.49 1.61 3h1cM1 ILE 457 HG13 -0.03 -0.01 -0.15 -0.04 1.21 0.98 3h1cM1 ILE 457 HG23 -0.06 -0.01 -0.13 -0.04 0.93 0.69 3h1cM1 ILE 457 HD13 -0.01 0.04 -0.04 -0.04 0.88 0.83 3h1cM1 LYS 458 H -0.04 0.37 0.17 -0.55 8.42 8.36 3h1cM1 LYS 458 HA -0.02 0.06 0.39 -0.75 4.32 4.00 3h1cM1 LYS 458 HB2 -0.03 -0.04 0.21 -0.04 1.87 1.97 3h1cM1 LYS 458 HB3 -0.02 -0.08 0.03 -0.04 1.79 1.68 3h1cM1 LYS 458 HG2 -0.02 -0.06 0.05 -0.04 1.46 1.39 3h1cM1 LYS 458 HG3 -0.03 0.18 0.10 -0.04 1.46 1.67 3h1cM1 LYS 458 HD2 -0.03 0.11 0.08 -0.04 1.69 1.81 3h1cM1 LYS 458 HD3 -0.02 -0.10 0.03 -0.04 1.68 1.54 3h1cM1 LYS 458 HE2 -0.02 -0.04 0.01 -0.04 2.99 2.90 3h1cM1 LYS 458 HE3 -0.01 -0.09 0.02 -0.04 2.99 2.87 3h1cM1 ALA 459 H -0.03 0.17 0.03 -0.55 8.40 8.02 3h1cM1 ALA 459 HA -0.01 0.21 0.56 -0.75 4.34 4.34 3h1cM1 ALA 459 HB3 -0.02 -0.02 0.01 -0.04 1.41 1.34 3h1cM1 ALA 460 H -0.01 0.13 0.14 -0.55 8.40 8.12 3h1cM1 ALA 460 HA -0.01 0.10 0.63 -0.75 4.34 4.31 3h1cM1 ALA 460 HB3 0.00 0.03 0.05 -0.04 1.41 1.46 3h1cM1 VAL 461 H -0.01 0.18 0.20 -0.55 8.24 8.06 3h1cM1 VAL 461 HA -0.03 0.18 0.87 -0.75 4.13 4.40 3h1cM1 VAL 461 HB -0.03 0.01 -0.12 -0.04 2.12 1.94 3h1cM1 VAL 461 HG13 -0.02 -0.00 -0.03 -0.04 0.97 0.88 3h1cM1 VAL 461 HG23 -0.05 0.05 -0.12 -0.04 0.95 0.79 3h1cM1 ALA 462 H -0.04 0.68 0.31 -0.55 8.40 8.81 3h1cM1 ALA 462 HA -0.09 0.10 0.76 -0.75 4.34 4.35 3h1cM1 ALA 462 HB3 -0.02 0.02 -0.03 -0.04 1.41 1.34 3h1cM1 GLY 463 H -0.11 0.24 0.22 -0.55 8.43 8.23 3h1cM1 GLY 463 HA2 -0.06 0.27 1.16 -0.51 4.01 4.87 3h1cM1 GLY 463 HA3 -0.08 -0.06 0.38 -0.51 4.01 3.73 3h1cM1 ILE 464 H -0.03 0.75 0.45 -0.55 8.25 8.86 3h1cM1 ILE 464 HA -0.00 -0.02 0.70 -0.75 4.18 4.10 3h1cM1 ILE 464 HB 0.03 0.02 0.06 -0.04 1.89 1.97 3h1cM1 ILE 464 HG12 0.04 0.01 -0.32 -0.04 1.49 1.19 3h1cM1 ILE 464 HG13 0.01 -0.05 -0.09 -0.04 1.21 1.04 3h1cM1 ILE 464 HG23 0.05 0.01 -0.03 -0.04 0.93 0.93 3h1cM1 ILE 464 HD13 0.03 0.07 -0.01 -0.04 0.88 0.94 3h1cM1 ALA 465 H 0.02 0.08 0.23 -0.55 8.40 8.18 3h1cM1 ALA 465 HA 0.01 0.35 1.17 -0.75 4.34 5.11 3h1cM1 ALA 465 HB3 -0.01 -0.02 -0.08 -0.04 1.41 1.26 3h1cM1 MET 466 H 0.14 0.60 0.33 -0.55 8.47 8.99 3h1cM1 MET 466 HA 0.07 0.19 1.08 -0.75 4.52 5.11 3h1cM1 MET 466 HB2 0.30 -0.02 0.14 -0.04 2.15 2.54 3h1cM1 MET 466 HB3 0.07 0.06 0.08 -0.04 2.03 2.20 3h1cM1 MET 466 HG2 0.17 -0.05 -0.18 -0.04 2.63 2.52 3h1cM1 MET 466 HG3 0.15 0.22 0.00 -0.04 2.56 2.89 3h1cM1 MET 466 HE3 0.03 0.02 -0.35 -0.04 2.10 1.75 3h1cM1 GLY 467 H 0.04 0.78 0.40 -0.55 8.43 9.11 3h1cM1 GLY 467 HA2 0.04 0.31 1.02 -0.51 4.01 4.87 3h1cM1 GLY 467 HA3 0.03 -0.00 0.36 -0.51 4.01 3.89 3h1cM1 LEU 468 H 0.02 0.19 0.32 -0.55 8.37 8.36 3h1cM1 LEU 468 HA 0.01 0.37 0.93 -0.75 4.35 4.92 3h1cM1 LEU 468 HB2 -0.03 -0.00 -0.27 -0.04 1.64 1.30 3h1cM1 LEU 468 HB3 -0.01 -0.08 -0.01 -0.04 1.64 1.50 3h1cM1 LEU 468 HG 0.02 0.04 -0.23 -0.04 1.64 1.43 3h1cM1 LEU 468 HD13 0.02 0.04 -0.18 -0.04 0.93 0.77 3h1cM1 LEU 468 HD23 -0.06 -0.01 -0.18 -0.04 0.89 0.60 3h1cM1 VAL 469 H 0.02 0.43 0.23 -0.55 8.24 8.37 3h1cM1 VAL 469 HA 0.01 0.19 0.78 -0.75 4.13 4.36 3h1cM1 VAL 469 HB 0.00 -0.04 0.10 -0.04 2.12 2.15 3h1cM1 VAL 469 HG13 -0.01 0.03 -0.09 -0.04 0.97 0.86 3h1cM1 VAL 469 HG23 -0.00 0.00 -0.12 -0.04 0.95 0.79 3h1cM1 LYS 470 H 0.01 0.29 0.05 -0.55 8.42 8.21 3h1cM1 LYS 470 HA 0.04 0.37 1.02 -0.75 4.32 5.00 3h1cM1 LYS 470 HB2 0.02 -0.12 -0.24 -0.04 1.87 1.49 3h1cM1 LYS 470 HB3 0.00 0.03 -0.06 -0.04 1.79 1.72 3h1cM1 LYS 470 HG2 0.02 -0.05 -0.39 -0.04 1.46 1.00 3h1cM1 LYS 470 HG3 0.08 0.12 -0.30 -0.04 1.46 1.32 3h1cM1 LYS 470 HD2 -0.04 -0.12 -0.20 -0.04 1.69 1.29 3h1cM1 LYS 470 HD3 -0.02 0.04 -0.21 -0.04 1.68 1.45 3h1cM1 LYS 470 HE2 -0.01 0.18 -0.18 -0.04 2.99 2.94 3h1cM1 LYS 470 HE3 0.00 -0.02 -0.24 -0.04 2.99 2.69 3h1cM1 GLU 471 H 0.02 0.47 0.04 -0.55 8.60 8.58 3h1cM1 GLU 471 HA 0.00 0.15 0.73 -0.75 4.29 4.42 3h1cM1 GLU 471 HB2 -0.00 0.05 -0.16 -0.04 2.09 1.94 3h1cM1 GLU 471 HB3 -0.00 -0.04 0.16 -0.04 1.99 2.07 3h1cM1 GLU 471 HG2 -0.01 -0.01 -0.01 -0.04 2.34 2.28 3h1cM1 GLU 471 HG3 -0.00 -0.04 -0.09 -0.04 2.34 2.17 3h1cM1 GLY 472 H 0.00 0.24 -0.03 -0.55 8.43 8.10 3h1cM1 GLY 472 HA2 0.00 0.06 0.36 -0.51 4.01 3.92 3h1cM1 GLY 472 HA3 0.01 0.07 0.66 -0.51 4.01 4.23 3h1cM1 ASP 473 H 0.02 0.13 0.22 -0.55 8.40 8.22 3h1cM1 ASP 473 HA 0.04 0.21 0.80 -0.75 4.63 4.93 3h1cM1 ASP 473 HB2 0.05 -0.02 0.07 -0.04 2.71 2.76 3h1cM1 ASP 473 HB3 0.02 0.03 -0.07 -0.04 2.70 2.64 3h1cM1 ASN 474 H 0.03 0.10 0.12 -0.55 8.53 8.22 3h1cM1 ASN 474 HA -0.01 0.07 0.60 -0.75 4.76 4.66 3h1cM1 ASN 474 HB2 -0.01 0.01 0.15 -0.04 2.88 2.99 3h1cM1 ASN 474 HB3 -0.05 0.09 0.04 -0.04 2.79 2.84 3h1cM1 ASN 474 HD21 -0.02 -0.00 0.01 -0.04 7.03 6.97 3h1cM1 ASN 474 HD22 -0.05 0.03 0.02 -0.04 7.74 7.70 3h1cM1 TYR 475 H -0.27 0.22 0.22 -0.55 8.29 7.90 3h1cM1 TYR 475 HA -0.03 0.32 0.91 -0.75 4.56 5.01 3h1cM1 TYR 475 HB2 -0.04 -0.04 -0.09 -0.04 3.06 2.84 3h1cM1 TYR 475 HB3 -0.04 0.05 -0.27 -0.04 2.98 2.69 3h1cM1 TYR 475 HD2 -0.04 0.15 -0.13 -0.04 7.15 7.09 3h1cM1 TYR 475 HE2 -0.03 -0.00 -0.02 -0.04 6.85 6.75 3h1cM1 VAL 476 H 0.06 0.39 0.21 -0.55 8.24 8.35 3h1cM1 VAL 476 HA -0.05 0.14 0.90 -0.75 4.13 4.37 3h1cM1 VAL 476 HB -0.00 -0.08 0.04 -0.04 2.12 2.03 3h1cM1 VAL 476 HG13 -0.02 0.02 -0.13 -0.04 0.97 0.80 3h1cM1 VAL 476 HG23 -0.05 0.09 -0.18 -0.04 0.95 0.77 3h1cM1 VAL 477 H 0.02 0.18 0.10 -0.55 8.24 7.98 3h1cM1 VAL 477 HA 0.02 0.23 0.90 -0.75 4.13 4.52 3h1cM1 VAL 477 HB 0.03 -0.01 0.09 -0.04 2.12 2.18 3h1cM1 VAL 477 HG13 -0.01 0.01 -0.14 -0.04 0.97 0.79 3h1cM1 VAL 477 HG23 0.08 -0.02 -0.12 -0.04 0.95 0.86 3h1cM1 LEU 478 H 0.02 0.62 0.27 -0.55 8.37 8.73 3h1cM1 LEU 478 HA 0.01 0.38 0.95 -0.75 4.35 4.93 3h1cM1 LEU 478 HB2 0.02 -0.16 -0.02 -0.04 1.64 1.45 3h1cM1 LEU 478 HB3 0.02 0.04 -0.12 -0.04 1.64 1.54 3h1cM1 LEU 478 HG 0.01 0.07 -0.26 -0.04 1.64 1.42 3h1cM1 LEU 478 HD13 0.01 0.02 -0.25 -0.04 0.93 0.68 3h1cM1 LEU 478 HD23 0.02 -0.01 -0.11 -0.04 0.89 0.75 3h1cM1 SER 479 H 0.02 0.46 0.13 -0.55 8.46 8.52 3h1cM1 SER 479 HA 0.04 0.05 0.82 -0.75 4.49 4.64 3h1cM1 SER 479 HB2 0.01 0.08 -0.21 -0.04 3.95 3.78 3h1cM1 SER 479 HB3 0.02 -0.08 -0.09 -0.04 3.93 3.74 3h1cM1 ASP 480 H 0.04 0.36 0.25 -0.55 8.40 8.51 3h1cM1 ASP 480 HA 0.04 -0.03 0.43 -0.75 4.63 4.32 3h1cM1 ASP 480 HB2 0.05 0.01 0.01 -0.04 2.71 2.74 3h1cM1 ASP 480 HB3 0.04 0.12 0.16 -0.04 2.70 2.98 3h1cM1 ILE 481 H 0.04 0.11 -0.08 -0.55 8.25 7.77 3h1cM1 ILE 481 HA 0.05 0.13 0.28 -0.75 4.18 3.89 3h1cM1 ILE 481 HB 0.06 0.01 -0.17 -0.04 1.89 1.75 3h1cM1 ILE 481 HG12 0.04 0.09 -0.24 -0.04 1.49 1.34 3h1cM1 ILE 481 HG13 0.04 -0.11 -0.12 -0.04 1.21 0.99 3h1cM1 ILE 481 HG23 0.04 0.02 -0.17 -0.04 0.93 0.78 3h1cM1 ILE 481 HD13 0.04 -0.02 -0.18 -0.04 0.88 0.69 3h1cM1 LEU 482 H 0.07 0.08 0.10 -0.55 8.37 8.07 3h1cM1 LEU 482 HA 0.08 0.10 0.52 -0.75 4.35 4.30 3h1cM1 LEU 482 HB2 0.09 -0.09 0.11 -0.04 1.64 1.71 3h1cM1 LEU 482 HB3 0.11 -0.09 0.19 -0.04 1.64 1.81 3h1cM1 LEU 482 HG 0.06 0.08 0.03 -0.04 1.64 1.77 3h1cM1 LEU 482 HD13 0.07 0.02 0.03 -0.04 0.93 1.01 3h1cM1 LEU 482 HD23 0.07 0.02 0.01 -0.04 0.89 0.94 3h1cM1 GLY 483 H 0.12 0.11 0.06 -0.55 8.43 8.18 3h1cM1 GLY 483 HA2 0.17 0.27 0.52 -0.51 4.01 4.47 3h1cM1 GLY 483 HA3 0.15 0.10 0.36 -0.51 4.01 4.11 3h1cM1 ASP 484 H 0.17 0.04 -0.05 -0.55 8.40 8.01 3h1cM1 ASP 484 HA 0.13 0.19 0.58 -0.75 4.63 4.77 3h1cM1 ASP 484 HB2 0.16 -0.05 0.06 -0.04 2.71 2.84 3h1cM1 ASP 484 HB3 0.13 0.10 0.00 -0.04 2.70 2.89 3h1cM1 GLU 485 H 0.11 -0.04 -0.35 -0.55 8.60 7.78 3h1cM1 GLU 485 HA 0.05 0.18 0.35 -0.75 4.29 4.11 3h1cM1 GLU 485 HB2 0.07 -0.14 0.04 -0.04 2.09 2.02 3h1cM1 GLU 485 HB3 0.05 0.07 -0.02 -0.04 1.99 2.05 3h1cM1 GLU 485 HG2 0.03 0.14 -0.04 -0.04 2.34 2.44 3h1cM1 GLU 485 HG3 0.07 -0.08 -0.01 -0.04 2.34 2.27 3h1cM1 ASP 486 H 0.15 0.23 -0.44 -0.55 8.40 7.79 3h1cM1 ASP 486 HA 0.05 0.08 0.56 -0.75 4.63 4.57 3h1cM1 ASP 486 HB2 0.07 0.02 0.01 -0.04 2.71 2.77 3h1cM1 ASP 486 HB3 0.14 0.10 0.05 -0.04 2.70 2.95 3h1cM1 HIS 487 H 0.32 0.17 -0.22 -0.55 8.41 8.14 3h1cM1 HIS 487 HA 0.07 0.11 0.46 -0.75 4.63 4.51 3h1cM1 HIS 487 HB2 0.10 0.01 0.16 -0.04 3.26 3.49 3h1cM1 HIS 487 HB3 0.13 0.02 -0.02 -0.04 3.20 3.29 3h1cM1 HIS 487 HD2 0.11 0.00 -0.00 -0.04 6.97 7.04 3h1cM1 HIS 487 HE1 0.08 -0.04 0.01 -0.04 7.75 7.76 3h1cM1 LEU 488 H 0.12 0.40 -0.09 -0.55 8.37 8.25 3h1cM1 LEU 488 HA 0.04 0.18 0.62 -0.75 4.35 4.43 3h1cM1 LEU 488 HB2 -0.04 -0.02 0.05 -0.04 1.64 1.60 3h1cM1 LEU 488 HB3 -0.08 -0.01 0.21 -0.04 1.64 1.72 3h1cM1 LEU 488 HG 0.03 -0.01 0.04 -0.04 1.64 1.65 3h1cM1 LEU 488 HD13 -0.22 -0.01 -0.09 -0.04 0.93 0.57 3h1cM1 LEU 488 HD23 -0.17 -0.01 -0.11 -0.04 0.89 0.57 3h1cM1 GLY 489 H 0.05 0.03 -0.79 -0.55 8.43 7.18 3h1cM1 GLY 489 HA2 0.01 0.06 0.63 -0.51 4.01 4.20 3h1cM1 GLY 489 HA3 0.02 -0.01 0.45 -0.51 4.01 3.96 3h1cM1 ASP 490 H 0.01 -0.12 0.37 -0.55 8.40 8.12 3h1cM1 ASP 490 HA 0.01 0.23 0.83 -0.75 4.63 4.95 3h1cM1 ASP 490 HB2 -0.00 0.01 -0.00 -0.04 2.71 2.68 3h1cM1 ASP 490 HB3 -0.01 -0.08 0.02 -0.04 2.70 2.59 3h1cM1 MET 491 H 0.01 0.04 0.38 -0.55 8.47 8.36 3h1cM1 MET 491 HA 0.02 0.28 0.84 -0.75 4.52 4.90 3h1cM1 MET 491 HB2 0.05 -0.02 -0.10 -0.04 2.15 2.05 3h1cM1 MET 491 HB3 0.00 0.05 -0.13 -0.04 2.03 1.92 3h1cM1 MET 491 HG2 -0.00 -0.09 -0.04 -0.04 2.63 2.45 3h1cM1 MET 491 HG3 0.04 0.02 -0.23 -0.04 2.56 2.34 3h1cM1 MET 491 HE3 -0.03 -0.00 -0.18 -0.04 2.10 1.85 3h1cM1 ASP 492 H 0.03 0.42 0.17 -0.55 8.40 8.48 3h1cM1 ASP 492 HA 0.04 0.19 0.95 -0.75 4.63 5.07 3h1cM1 ASP 492 HB2 -0.01 0.07 0.04 -0.04 2.71 2.77 3h1cM1 ASP 492 HB3 -0.01 0.02 0.21 -0.04 2.70 2.89 3h1cM1 PHE 493 H 0.16 0.68 0.18 -0.55 8.34 8.81 3h1cM1 PHE 493 HA -0.03 0.23 0.87 -0.75 4.62 4.94 3h1cM1 PHE 493 HB2 -0.02 -0.03 -0.07 -0.04 3.15 2.98 3h1cM1 PHE 493 HB3 -0.02 -0.06 0.20 -0.04 3.06 3.14 3h1cM1 PHE 493 HD2 -0.02 -0.04 -0.08 -0.04 7.28 7.10 3h1cM1 PHE 493 HE2 -0.03 -0.03 -0.20 -0.04 7.38 7.08 3h1cM1 PHE 493 HZ -0.03 -0.02 -0.13 -0.04 7.32 7.10 3h1cM1 LYS 494 H -0.21 0.59 0.30 -0.55 8.42 8.54 3h1cM1 LYS 494 HA -0.11 0.01 0.66 -0.75 4.32 4.13 3h1cM1 LYS 494 HB2 -0.16 0.00 0.19 -0.04 1.87 1.86 3h1cM1 LYS 494 HB3 -0.14 -0.00 -0.09 -0.04 1.79 1.52 3h1cM1 LYS 494 HG2 -0.09 -0.07 -0.11 -0.04 1.46 1.15 3h1cM1 LYS 494 HG3 -0.09 0.03 -0.15 -0.04 1.46 1.21 3h1cM1 LYS 494 HD2 -0.12 0.04 -0.06 -0.04 1.69 1.51 3h1cM1 LYS 494 HD3 -0.14 -0.02 -0.11 -0.04 1.68 1.36 3h1cM1 LYS 494 HE2 -0.13 0.05 -0.06 -0.04 2.99 2.81 3h1cM1 LYS 494 HE3 -0.23 0.01 -0.06 -0.04 2.99 2.67 3h1cM1 VAL 495 H -0.10 0.57 0.38 -0.55 8.24 8.54 3h1cM1 VAL 495 HA -0.18 0.20 1.01 -0.75 4.13 4.40 3h1cM1 VAL 495 HB -0.03 0.03 0.20 -0.04 2.12 2.28 3h1cM1 VAL 495 HG13 -0.04 -0.01 -0.12 -0.04 0.97 0.76 3h1cM1 VAL 495 HG23 -0.16 0.00 -0.20 -0.04 0.95 0.55 3h1cM1 ALA 496 H -0.10 0.77 0.36 -0.55 8.40 8.89 3h1cM1 ALA 496 HA -0.07 0.25 1.17 -0.75 4.34 4.94 3h1cM1 ALA 496 HB3 -0.09 -0.02 0.02 -0.04 1.41 1.28 3h1cM1 GLY 497 H -0.05 0.83 0.49 -0.55 8.43 9.16 3h1cM1 GLY 497 HA2 -0.05 -0.06 0.63 -0.51 4.01 4.02 3h1cM1 GLY 497 HA3 -0.04 0.11 0.65 -0.51 4.01 4.22 3h1cM1 SER 498 H -0.03 0.18 0.18 -0.55 8.46 8.24 3h1cM1 SER 498 HA -0.02 0.25 0.83 -0.75 4.49 4.80 3h1cM1 SER 498 HB2 -0.03 0.03 0.04 -0.04 3.95 3.95 3h1cM1 SER 498 HB3 -0.02 -0.19 0.12 -0.04 3.93 3.80 3h1cM1 ARG 499 H -0.01 0.17 0.18 -0.55 8.46 8.25 3h1cM1 ARG 499 HA 0.00 0.12 0.44 -0.75 4.34 4.15 3h1cM1 ARG 499 HB2 -0.00 0.03 0.13 -0.04 1.90 2.02 3h1cM1 ARG 499 HB3 -0.00 -0.03 0.10 -0.04 1.80 1.83 3h1cM1 ARG 499 HG2 0.00 -0.01 -0.09 -0.04 1.67 1.53 3h1cM1 ARG 499 HG3 0.01 0.00 0.07 -0.04 1.67 1.71 3h1cM1 ARG 499 HD2 0.00 0.01 0.01 -0.04 3.22 3.19 3h1cM1 ARG 499 HD3 0.00 -0.01 -0.01 -0.04 3.22 3.17 3h1cM1 ASP 500 H -0.01 -0.05 -0.10 -0.55 8.40 7.70 3h1cM1 ASP 500 HA -0.00 0.20 0.74 -0.75 4.63 4.81 3h1cM1 ASP 500 HB2 -0.01 -0.02 0.04 -0.04 2.71 2.67 3h1cM1 ASP 500 HB3 -0.01 0.01 -0.04 -0.04 2.70 2.62 3h1cM1 GLY 501 H -0.02 -0.05 -0.10 -0.55 8.43 7.71 3h1cM1 GLY 501 HA2 -0.02 0.24 0.53 -0.51 4.01 4.25 3h1cM1 GLY 501 HA3 -0.03 0.01 -0.11 -0.51 4.01 3.37 3h1cM1 ILE 502 H -0.04 0.45 0.16 -0.55 8.25 8.27 3h1cM1 ILE 502 HA -0.04 0.12 0.93 -0.75 4.18 4.44 3h1cM1 ILE 502 HB -0.05 -0.03 0.01 -0.04 1.89 1.78 3h1cM1 ILE 502 HG12 -0.02 0.05 -0.20 -0.04 1.49 1.27 3h1cM1 ILE 502 HG13 -0.02 -0.02 -0.25 -0.04 1.21 0.88 3h1cM1 ILE 502 HG23 -0.06 -0.02 -0.17 -0.04 0.93 0.64 3h1cM1 ILE 502 HD13 -0.01 -0.01 -0.20 -0.04 0.88 0.62 3h1cM1 SER 503 H -0.06 0.41 0.65 -0.55 8.46 8.92 3h1cM1 SER 503 HA -0.06 0.23 0.91 -0.75 4.49 4.82 3h1cM1 SER 503 HB2 -0.07 0.03 0.09 -0.04 3.95 3.95 3h1cM1 SER 503 HB3 -0.06 -0.10 0.08 -0.04 3.93 3.81 3h1cM1 ALA 504 H -0.08 0.74 0.40 -0.55 8.40 8.91 3h1cM1 ALA 504 HA -0.08 0.18 0.79 -0.75 4.34 4.47 3h1cM1 ALA 504 HB3 -0.10 -0.00 -0.12 -0.04 1.41 1.14 3h1cM1 LEU 505 H -0.10 0.35 0.08 -0.55 8.37 8.15 3h1cM1 LEU 505 HA -0.21 0.26 0.78 -0.75 4.35 4.43 3h1cM1 LEU 505 HB2 -0.14 0.02 -0.13 -0.04 1.64 1.35 3h1cM1 LEU 505 HB3 -0.11 -0.08 -0.05 -0.04 1.64 1.36 3h1cM1 LEU 505 HG -0.27 0.04 -0.39 -0.04 1.64 0.97 3h1cM1 LEU 505 HD13 -0.50 0.06 -0.06 -0.04 0.93 0.39 3h1cM1 LEU 505 HD23 -0.05 -0.03 -0.18 -0.04 0.89 0.58 3h1cM1 GLN 506 H -0.23 0.40 0.23 -0.55 8.47 8.32 3h1cM1 GLN 506 HA -0.11 0.32 1.15 -0.75 4.36 4.96 3h1cM1 GLN 506 HB2 -0.11 -0.04 0.05 -0.04 2.15 2.01 3h1cM1 GLN 506 HB3 -0.13 -0.11 0.14 -0.04 2.02 1.88 3h1cM1 GLN 506 HG2 -0.06 0.04 -0.14 -0.04 2.40 2.19 3h1cM1 GLN 506 HG3 -0.06 0.10 0.16 -0.04 2.39 2.55 3h1cM1 GLN 506 HE21 0.01 -0.04 -0.05 -0.04 6.97 6.85 3h1cM1 GLN 506 HE22 -0.02 0.07 -0.05 -0.04 7.69 7.65 3h1cM1 MET 507 H -0.06 0.78 0.42 -0.55 8.47 9.06 3h1cM1 MET 507 HA 0.00 0.17 0.93 -0.75 4.52 4.87 3h1cM1 MET 507 HB2 -0.03 0.01 -0.21 -0.04 2.15 1.89 3h1cM1 MET 507 HB3 0.02 -0.10 0.07 -0.04 2.03 1.98 3h1cM1 MET 507 HG2 0.12 0.02 -0.17 -0.04 2.63 2.56 3h1cM1 MET 507 HG3 0.44 0.00 -0.07 -0.04 2.56 2.90 3h1cM1 MET 507 HE3 0.19 -0.00 -0.15 -0.04 2.10 2.10 3h1cM1 ASP 508 H 0.04 0.21 0.06 -0.55 8.40 8.16 3h1cM1 ASP 508 HA 0.01 0.36 0.74 -0.75 4.63 4.98 3h1cM1 ASP 508 HB2 0.01 0.13 0.07 -0.04 2.71 2.87 3h1cM1 ASP 508 HB3 -0.00 0.02 0.03 -0.04 2.70 2.71 3h1cM1 ILE 509 H 0.01 0.48 0.18 -0.55 8.25 8.37 3h1cM1 ILE 509 HA 0.01 -0.00 0.85 -0.75 4.18 4.28 3h1cM1 ILE 509 HB -0.02 0.12 0.13 -0.04 1.89 2.07 3h1cM1 ILE 509 HG12 -0.02 -0.05 -0.07 -0.04 1.49 1.30 3h1cM1 ILE 509 HG13 0.03 -0.15 -0.14 -0.04 1.21 0.91 3h1cM1 ILE 509 HG23 -0.03 -0.09 0.01 -0.04 0.93 0.78 3h1cM1 ILE 509 HD13 -0.01 0.09 -0.23 -0.04 0.88 0.70 3h1cM1 LYS 510 H -0.00 0.71 0.48 -0.55 8.42 9.05 3h1cM1 LYS 510 HA -0.01 0.09 0.59 -0.75 4.32 4.24 3h1cM1 LYS 510 HB2 0.00 -0.06 0.08 -0.04 1.87 1.85 3h1cM1 LYS 510 HB3 0.00 0.08 0.14 -0.04 1.79 1.98 3h1cM1 LYS 510 HG2 0.01 0.01 0.03 -0.04 1.46 1.47 3h1cM1 LYS 510 HG3 0.01 -0.03 0.10 -0.04 1.46 1.51 3h1cM1 LYS 510 HD2 0.02 -0.04 -0.01 -0.04 1.69 1.61 3h1cM1 LYS 510 HD3 0.03 0.07 -0.03 -0.04 1.68 1.71 3h1cM1 LYS 510 HE2 0.04 -0.01 0.02 -0.04 2.99 3.00 3h1cM1 LYS 510 HE3 0.04 -0.03 0.01 -0.04 2.99 2.98 3h1cM1 ILE 511 H -0.02 0.08 -0.01 -0.55 8.25 7.75 3h1cM1 ILE 511 HA -0.04 0.25 0.96 -0.75 4.18 4.60 3h1cM1 ILE 511 HB -0.02 0.06 0.04 -0.04 1.89 1.93 3h1cM1 ILE 511 HG12 -0.01 0.01 0.01 -0.04 1.49 1.46 3h1cM1 ILE 511 HG13 -0.02 -0.08 0.12 -0.04 1.21 1.20 3h1cM1 ILE 511 HG23 -0.01 0.01 -0.08 -0.04 0.93 0.81 3h1cM1 ILE 511 HD13 -0.03 -0.02 -0.28 -0.04 0.88 0.50 3h1cM1 GLU 512 H -0.05 0.16 0.10 -0.55 8.60 8.27 3h1cM1 GLU 512 HA -0.05 0.09 0.50 -0.75 4.29 4.08 3h1cM1 GLU 512 HB2 -0.05 0.03 0.00 -0.04 2.09 2.03 3h1cM1 GLU 512 HB3 -0.05 -0.12 0.07 -0.04 1.99 1.84 3h1cM1 GLU 512 HG2 -0.08 0.01 -0.09 -0.04 2.34 2.14 3h1cM1 GLU 512 HG3 -0.08 0.05 0.01 -0.04 2.34 2.29 3h1cM1 GLY 513 H -0.05 0.06 0.10 -0.55 8.43 7.99 3h1cM1 GLY 513 HA2 -0.04 0.04 0.22 -0.51 4.01 3.71 3h1cM1 GLY 513 HA3 -0.04 0.21 0.74 -0.51 4.01 4.41 3h1cM1 ILE 514 H -0.07 0.02 0.03 -0.55 8.25 7.69 3h1cM1 ILE 514 HA -0.10 0.04 0.33 -0.75 4.18 3.70 3h1cM1 ILE 514 HB -0.08 0.15 0.06 -0.04 1.89 1.99 3h1cM1 ILE 514 HG12 -0.12 -0.01 -0.29 -0.04 1.49 1.03 3h1cM1 ILE 514 HG13 -0.12 -0.05 -0.02 -0.04 1.21 0.98 3h1cM1 ILE 514 HG23 -0.12 -0.00 0.06 -0.04 0.93 0.82 3h1cM1 ILE 514 HD13 -0.07 -0.01 -0.13 -0.04 0.88 0.62 3h1cM1 THR 515 H -0.15 0.10 0.17 -0.55 8.28 7.85 3h1cM1 THR 515 HA -0.10 0.30 0.95 -0.75 4.39 4.79 3h1cM1 THR 515 HB -0.18 -0.28 0.07 -0.04 4.32 3.89 3h1cM1 THR 515 HG23 -0.08 -0.03 0.10 -0.04 1.22 1.17 3h1cM1 LYS 516 H -0.08 0.28 0.15 -0.55 8.42 8.21 3h1cM1 LYS 516 HA -0.08 0.10 0.49 -0.75 4.32 4.08 3h1cM1 LYS 516 HB2 -0.05 0.09 0.10 -0.04 1.87 1.96 3h1cM1 LYS 516 HB3 -0.04 0.02 0.05 -0.04 1.79 1.77 3h1cM1 LYS 516 HG2 -0.03 -0.03 -0.07 -0.04 1.46 1.29 3h1cM1 LYS 516 HG3 -0.03 0.01 0.01 -0.04 1.46 1.40 3h1cM1 LYS 516 HD2 -0.01 0.04 -0.03 -0.04 1.69 1.66 3h1cM1 LYS 516 HD3 -0.01 0.02 -0.05 -0.04 1.68 1.60 3h1cM1 LYS 516 HE2 -0.00 -0.02 -0.07 -0.04 2.99 2.86 3h1cM1 LYS 516 HE3 0.00 -0.01 -0.07 -0.04 2.99 2.87 3h1cM1 GLU 517 H -0.10 0.11 -0.14 -0.55 8.60 7.92 3h1cM1 GLU 517 HA -0.07 0.12 0.42 -0.75 4.29 4.01 3h1cM1 GLU 517 HB2 -0.07 0.04 0.08 -0.04 2.09 2.10 3h1cM1 GLU 517 HB3 -0.15 0.01 0.05 -0.04 1.99 1.85 3h1cM1 GLU 517 HG2 -0.06 -0.01 -0.16 -0.04 2.34 2.07 3h1cM1 GLU 517 HG3 -0.02 0.01 0.02 -0.04 2.34 2.31 3h1cM1 ILE 518 H -0.25 0.14 -0.25 -0.55 8.25 7.34 3h1cM1 ILE 518 HA -0.33 0.12 0.46 -0.75 4.18 3.68 3h1cM1 ILE 518 HB -0.43 0.02 0.01 -0.04 1.89 1.45 3h1cM1 ILE 518 HG12 -0.27 0.00 0.01 -0.04 1.49 1.20 3h1cM1 ILE 518 HG13 -0.24 0.18 0.03 -0.04 1.21 1.14 3h1cM1 ILE 518 HG23 -1.09 0.02 -0.05 -0.04 0.93 -0.23 3h1cM1 ILE 518 HD13 -0.21 0.00 -0.25 -0.04 0.88 0.38 3h1cM1 MET 519 H -0.17 0.28 -0.36 -0.55 8.47 7.66 3h1cM1 MET 519 HA -0.33 0.08 0.50 -0.75 4.52 4.02 3h1cM1 MET 519 HB2 -0.11 0.08 0.09 -0.04 2.15 2.18 3h1cM1 MET 519 HB3 -0.07 -0.01 -0.10 -0.04 2.03 1.81 3h1cM1 MET 519 HG2 -0.16 -0.02 -0.06 -0.04 2.63 2.35 3h1cM1 MET 519 HG3 -0.15 0.06 -0.07 -0.04 2.56 2.35 3h1cM1 MET 519 HE3 -0.10 0.04 -0.25 -0.04 2.10 1.75 3h1cM1 GLN 520 H -0.10 0.35 -0.31 -0.55 8.47 7.87 3h1cM1 GLN 520 HA -0.02 0.05 0.45 -0.75 4.36 4.08 3h1cM1 GLN 520 HB2 -0.03 0.06 0.09 -0.04 2.15 2.23 3h1cM1 GLN 520 HB3 -0.04 0.17 0.09 -0.04 2.02 2.20 3h1cM1 GLN 520 HG2 -0.01 0.02 -0.03 -0.04 2.40 2.34 3h1cM1 GLN 520 HG3 -0.01 -0.01 -0.13 -0.04 2.39 2.20 3h1cM1 GLN 520 HE21 0.01 -0.06 -0.08 -0.04 6.97 6.80 3h1cM1 GLN 520 HE22 0.01 -0.00 0.00 -0.04 7.69 7.65 3h1cM1 VAL 521 H -0.08 0.23 -0.30 -0.55 8.24 7.53 3h1cM1 VAL 521 HA -0.00 0.09 0.52 -0.75 4.13 3.99 3h1cM1 VAL 521 HB -0.00 0.08 0.08 -0.04 2.12 2.24 3h1cM1 VAL 521 HG13 0.06 0.00 -0.06 -0.04 0.97 0.94 3h1cM1 VAL 521 HG23 0.06 0.07 0.03 -0.04 0.95 1.07 3h1cM1 ALA 522 H -0.17 0.48 -0.14 -0.55 8.40 8.02 3h1cM1 ALA 522 HA -0.09 0.06 0.38 -0.75 4.34 3.93 3h1cM1 ALA 522 HB3 -0.52 0.03 0.04 -0.04 1.41 0.91 3h1cM1 LEU 523 H -0.08 0.36 -0.40 -0.55 8.37 7.72 3h1cM1 LEU 523 HA 0.26 0.11 0.56 -0.75 4.35 4.52 3h1cM1 LEU 523 HB2 0.16 0.14 0.05 -0.04 1.64 1.95 3h1cM1 LEU 523 HB3 0.06 0.05 -0.01 -0.04 1.64 1.70 3h1cM1 LEU 523 HG 0.09 -0.05 -0.03 -0.04 1.64 1.60 3h1cM1 LEU 523 HD13 0.21 0.01 -0.06 -0.04 0.93 1.04 3h1cM1 LEU 523 HD23 0.08 -0.02 -0.04 -0.04 0.89 0.87 3h1cM1 ASN 524 H 0.01 0.27 -0.41 -0.55 8.53 7.85 3h1cM1 ASN 524 HA 0.03 0.05 0.58 -0.75 4.76 4.67 3h1cM1 ASN 524 HB2 0.01 0.18 0.17 -0.04 2.88 3.20 3h1cM1 ASN 524 HB3 0.01 0.09 0.16 -0.04 2.79 3.01 3h1cM1 ASN 524 HD21 0.01 -0.01 -0.03 -0.04 7.03 6.96 3h1cM1 ASN 524 HD22 0.01 0.02 -0.02 -0.04 7.74 7.71 3h1cM1 GLN 525 H 0.02 0.56 -0.07 -0.55 8.47 8.42 3h1cM1 GLN 525 HA 0.02 0.06 0.57 -0.75 4.36 4.25 3h1cM1 GLN 525 HB2 0.02 0.08 0.02 -0.04 2.15 2.22 3h1cM1 GLN 525 HB3 0.02 0.01 0.01 -0.04 2.02 2.01 3h1cM1 GLN 525 HG2 0.01 -0.04 0.01 -0.04 2.40 2.34 3h1cM1 GLN 525 HG3 0.01 0.09 0.04 -0.04 2.39 2.50 3h1cM1 GLN 525 HE21 0.01 0.04 -0.02 -0.04 6.97 6.96 3h1cM1 GLN 525 HE22 0.01 -0.04 -0.03 -0.04 7.69 7.58 3h1cM1 ALA 526 H 0.07 0.20 -0.59 -0.55 8.40 7.53 3h1cM1 ALA 526 HA 0.06 0.03 0.49 -0.75 4.34 4.17 3h1cM1 ALA 526 HB3 0.12 0.08 0.06 -0.04 1.41 1.62 3h1cM1 LYS 527 H 0.04 0.26 -0.41 -0.55 8.42 7.76 3h1cM1 LYS 527 HA 0.03 0.09 0.46 -0.75 4.32 4.14 3h1cM1 LYS 527 HB2 0.03 0.04 0.13 -0.04 1.87 2.02 3h1cM1 LYS 527 HB3 0.02 0.16 0.14 -0.04 1.79 2.08 3h1cM1 LYS 527 HG2 0.02 -0.01 -0.10 -0.04 1.46 1.33 3h1cM1 LYS 527 HG3 0.01 0.00 -0.01 -0.04 1.46 1.42 3h1cM1 LYS 527 HD2 0.02 0.02 -0.03 -0.04 1.69 1.66 3h1cM1 LYS 527 HD3 0.01 0.02 -0.03 -0.04 1.68 1.64 3h1cM1 LYS 527 HE2 0.01 -0.04 0.01 -0.04 2.99 2.93 3h1cM1 LYS 527 HE3 0.02 0.00 0.03 -0.04 2.99 3.00 3h1cM1 GLY 528 H 0.03 0.33 -0.16 -0.55 8.43 8.08 3h1cM1 GLY 528 HA2 0.03 0.06 0.38 -0.51 4.01 3.97 3h1cM1 GLY 528 HA3 0.03 0.07 0.27 -0.51 4.01 3.87 3h1cM1 ALA 529 H 0.04 0.39 -0.29 -0.55 8.40 7.99 3h1cM1 ALA 529 HA 0.05 0.07 0.54 -0.75 4.34 4.25 3h1cM1 ALA 529 HB3 0.04 0.02 0.06 -0.04 1.41 1.49 3h1cM1 ARG 530 H 0.04 0.42 -0.33 -0.55 8.46 8.04 3h1cM1 ARG 530 HA 0.04 -0.04 0.37 -0.75 4.34 3.96 3h1cM1 ARG 530 HB2 0.02 0.21 0.12 -0.04 1.90 2.21 3h1cM1 ARG 530 HB3 0.02 0.12 0.04 -0.04 1.80 1.93 3h1cM1 ARG 530 HG2 0.00 0.03 -0.15 -0.04 1.67 1.51 3h1cM1 ARG 530 HG3 -0.00 -0.14 -0.09 -0.04 1.67 1.39 3h1cM1 ARG 530 HD2 -0.02 -0.08 0.09 -0.04 3.22 3.16 3h1cM1 ARG 530 HD3 -0.01 -0.04 -0.12 -0.04 3.22 3.01 3h1cM1 LEU 531 H 0.05 0.41 -0.27 -0.55 8.37 8.01 3h1cM1 LEU 531 HA 0.03 0.05 0.43 -0.75 4.35 4.11 3h1cM1 LEU 531 HB2 0.05 0.10 0.06 -0.04 1.64 1.81 3h1cM1 LEU 531 HB3 0.04 -0.05 0.03 -0.04 1.64 1.62 3h1cM1 LEU 531 HG 0.03 0.14 0.06 -0.04 1.64 1.83 3h1cM1 LEU 531 HD13 0.02 -0.03 -0.03 -0.04 0.93 0.85 3h1cM1 LEU 531 HD23 0.01 0.02 0.05 -0.04 0.89 0.93 3h1cM1 HIS 532 H 0.15 0.25 -0.51 -0.55 8.41 7.75 3h1cM1 HIS 532 HA 0.03 0.08 0.49 -0.75 4.63 4.47 3h1cM1 HIS 532 HB2 0.03 0.09 0.12 -0.04 3.26 3.45 3h1cM1 HIS 532 HB3 0.04 0.16 0.16 -0.04 3.20 3.51 3h1cM1 HIS 532 HD2 0.02 0.01 0.02 -0.04 6.97 6.98 3h1cM1 HIS 532 HE1 0.02 0.02 -0.03 -0.04 7.75 7.71 3h1cM1 ILE 533 H 0.13 0.39 -0.09 -0.55 8.25 8.14 3h1cM1 ILE 533 HA 0.06 0.04 0.47 -0.75 4.18 4.00 3h1cM1 ILE 533 HB 0.09 0.12 0.11 -0.04 1.89 2.17 3h1cM1 ILE 533 HG12 0.24 -0.04 -0.00 -0.04 1.49 1.64 3h1cM1 ILE 533 HG13 0.25 -0.01 0.01 -0.04 1.21 1.41 3h1cM1 ILE 533 HG23 0.15 -0.01 -0.12 -0.04 0.93 0.91 3h1cM1 ILE 533 HD13 0.19 -0.01 -0.01 -0.04 0.88 1.01 3h1cM1 LEU 534 H 0.03 0.43 -0.25 -0.55 8.37 8.04 3h1cM1 LEU 534 HA 0.03 0.02 0.36 -0.75 4.35 4.01 3h1cM1 LEU 534 HB2 0.02 0.10 0.07 -0.04 1.64 1.78 3h1cM1 LEU 534 HB3 0.01 -0.02 -0.05 -0.04 1.64 1.54 3h1cM1 LEU 534 HG 0.01 0.02 -0.03 -0.04 1.64 1.60 3h1cM1 LEU 534 HD13 0.00 -0.00 -0.24 -0.04 0.93 0.65 3h1cM1 LEU 534 HD23 -0.00 -0.02 -0.23 -0.04 0.89 0.60 3h1cM1 GLY 535 H -0.03 0.35 -0.42 -0.55 8.43 7.79 3h1cM1 GLY 535 HA2 -0.02 0.04 0.45 -0.51 4.01 3.98 3h1cM1 GLY 535 HA3 -0.05 0.10 0.29 -0.51 4.01 3.84 3h1cM1 VAL 536 H -0.08 0.32 -0.21 -0.55 8.24 7.72 3h1cM1 VAL 536 HA -0.05 0.09 0.58 -0.75 4.13 3.99 3h1cM1 VAL 536 HB -0.01 0.08 0.09 -0.04 2.12 2.23 3h1cM1 VAL 536 HG13 -0.05 -0.02 -0.02 -0.04 0.97 0.84 3h1cM1 VAL 536 HG23 -0.20 0.07 0.06 -0.04 0.95 0.84 3h1cM1 MET 537 H 0.03 0.43 -0.14 -0.55 8.47 8.25 3h1cM1 MET 537 HA 0.07 -0.02 0.48 -0.75 4.52 4.29 3h1cM1 MET 537 HB2 0.05 0.08 0.14 -0.04 2.15 2.38 3h1cM1 MET 537 HB3 0.06 0.01 -0.00 -0.04 2.03 2.05 3h1cM1 MET 537 HG2 0.20 -0.06 0.01 -0.04 2.63 2.74 3h1cM1 MET 537 HG3 0.22 0.06 0.01 -0.04 2.56 2.80 3h1cM1 MET 537 HE3 0.02 0.02 0.04 -0.04 2.10 2.14 3h1cM1 GLU 538 H 0.01 0.32 -0.31 -0.55 8.60 8.07 3h1cM1 GLU 538 HA 0.01 0.32 0.56 -0.75 4.29 4.42 3h1cM1 GLU 538 HB2 -0.00 0.08 0.09 -0.04 2.09 2.21 3h1cM1 GLU 538 HB3 0.00 -0.06 0.02 -0.04 1.99 1.91 3h1cM1 GLU 538 HG2 0.00 -0.01 0.07 -0.04 2.34 2.36 3h1cM1 GLU 538 HG3 0.01 0.27 0.10 -0.04 2.34 2.68 3h1cM1 GLN 539 H -0.00 0.19 -0.45 -0.55 8.47 7.66 3h1cM1 GLN 539 HA -0.00 0.03 0.40 -0.75 4.36 4.04 3h1cM1 GLN 539 HB2 -0.01 0.17 0.13 -0.04 2.15 2.40 3h1cM1 GLN 539 HB3 -0.01 -0.06 0.05 -0.04 2.02 1.96 3h1cM1 GLN 539 HG2 -0.01 -0.06 0.04 -0.04 2.40 2.33 3h1cM1 GLN 539 HG3 -0.02 0.28 0.14 -0.04 2.39 2.75 3h1cM1 GLN 539 HE21 -0.02 -0.06 0.00 -0.04 6.97 6.85 3h1cM1 GLN 539 HE22 -0.02 -0.01 0.00 -0.04 7.69 7.63 3h1cM1 ALA 540 H 0.01 0.18 -0.36 -0.55 8.40 7.68 3h1cM1 ALA 540 HA 0.00 0.07 0.65 -0.75 4.34 4.31 3h1cM1 ALA 540 HB3 0.02 -0.01 0.07 -0.04 1.41 1.45 3h1cM1 ILE 541 H 0.02 0.38 0.10 -0.55 8.25 8.20 3h1cM1 ILE 541 HA 0.01 0.16 0.76 -0.75 4.18 4.36 3h1cM1 ASN 542 H 0.00 0.06 0.12 -0.55 8.53 8.17 3h1cM1 ASN 542 HA 0.00 0.19 0.97 -0.75 4.76 5.16 3h1cM1 ASN 542 HB2 0.00 -0.06 0.14 -0.04 2.88 2.92 3h1cM1 ASN 542 HB3 0.00 -0.03 0.01 -0.04 2.79 2.72 3h1cM1 ASN 542 HD21 0.00 0.04 -0.07 -0.04 7.03 6.96 3h1cM1 ASN 542 HD22 0.00 -0.06 -0.02 -0.04 7.74 7.62 3h1cM1 ALA 543 H 0.00 0.06 0.17 -0.55 8.40 8.09 3h1cM1 ALA 543 HA -0.01 0.24 0.86 -0.75 4.34 4.69 3h1cM1 ALA 543 HB3 -0.00 0.01 0.03 -0.04 1.41 1.41 3h1cM1 PRO 544 HA -0.01 0.19 0.32 -0.51 4.44 4.42 3h1cM1 PRO 544 HB2 -0.05 0.04 -0.25 -0.04 2.28 1.97 3h1cM1 PRO 544 HB3 -0.03 0.00 -0.01 -0.04 2.02 1.94 3h1cM1 PRO 544 HG2 -0.03 0.01 -0.03 -0.04 2.03 1.94 3h1cM1 PRO 544 HG3 -0.04 0.09 0.05 -0.04 2.03 2.10 3h1cM1 PRO 544 HD2 -0.01 0.06 0.16 -0.04 3.68 3.84 3h1cM1 PRO 544 HD3 -0.02 0.17 0.08 -0.04 3.65 3.85