============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 6 0.840 30.984 -36.214 -59.641 -99.200 -91.000 TYR 13 0.840 22.718 -26.993 -59.279 -99.200 -91.000 HIS 16 0.900 14.657 -34.475 -62.307 -99.200 -91.000 TYR 18 0.840 18.412 -38.808 -72.086 -99.200 -91.000 PHE 32 1.000 38.847 -53.143 -70.309 -99.200 -91.000 TYR 34 0.840 39.542 -47.364 -66.929 -99.200 -91.000 TYR 41 0.840 31.800 -50.120 -63.971 -99.200 -91.000 TYR 42 0.840 35.783 -56.504 -70.614 -99.200 -91.000 PHE 44 1.000 30.158 -56.770 -73.994 -99.200 -91.000 TYR 48 0.840 22.261 -46.430 -77.164 -99.200 -91.000 HIS 55 0.900 34.165 -45.333 -74.587 -99.200 -91.000 HIS 57 0.900 42.400 -45.172 -82.602 -99.200 -91.000 PHE 78 1.000 31.981 -16.906 -94.836 -99.200 -91.000 PHE 79 1.000 31.714 -23.252-101.831 -99.200 -91.000 TYR 89 0.840 38.054 -41.732 -96.575 -99.200 -91.000 TYR 96 0.840 25.169 -45.668-102.246 -99.200 -91.000 TYR 113 0.840 11.767 -39.382 -92.289 -99.200 -91.000 TRP 119 1.040 13.728 -40.161-107.067 -99.200 -91.000 TRP6 119 1.020 12.174 -41.945-107.173 -99.200 -91.000 TYR 121 0.840 5.546 -34.689-103.966 -99.200 -91.000 TYR 137 0.840 12.972 -55.836 -89.608 -99.200 -91.000 PHE 155 1.000 10.739 -50.936 -96.549 -99.200 -91.000 TYR 173 0.840 12.811 -57.757 -94.692 -99.200 -91.000 TYR 178 0.840 18.306 -54.201-105.863 -99.200 -91.000 TYR 184 0.840 5.034 -53.437-106.910 -99.200 -91.000 PHE 188 1.000 16.972 -51.711 -99.589 -99.200 -91.000 HIS 207 0.900 29.362 -53.194 -98.521 -99.200 -91.000 HIS 208 0.900 27.349 -59.158 -92.885 -99.200 -91.000 TYR 209 0.840 21.761 -60.501 -95.306 -99.200 -91.000 HIS 226 0.900 37.555 -38.212 -80.411 -99.200 -91.000 TYR 227 0.840 31.783 -31.683 -84.246 -99.200 -91.000 HIS 247 0.900 20.643 -20.718 -91.034 -99.200 -91.000 TYR 251 0.840 28.190 -25.634 -84.563 -99.200 -91.000 PHE 284 1.000 29.973 -62.418 -77.353 -99.200 -91.000 PHE 312 1.000 18.261 -61.958 -69.993 -99.200 -91.000 HIS 337 0.900 10.954 -52.345 -76.566 -99.200 -91.000 PHE 367 1.000 22.057 -63.154 -57.625 -99.200 -91.000 PHE 368 1.000 19.352 -61.272 -61.715 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1z7dC1 LYS 7 HA -0.07 -0.10 0.21 -0.75 4.32 3.60 1z7dC1 LYS 7 HB2 -0.33 0.01 -0.05 -0.04 1.87 1.47 1z7dC1 LYS 7 HB3 -0.45 -0.09 -0.03 -0.04 1.79 1.18 1z7dC1 LYS 7 HG2 -0.08 0.02 0.02 -0.04 1.46 1.38 1z7dC1 LYS 7 HG3 -0.26 0.02 -0.02 -0.04 1.46 1.16 1z7dC1 LYS 7 HD2 -0.18 -0.03 0.00 -0.04 1.69 1.44 1z7dC1 LYS 7 HD3 -0.09 -0.01 0.03 -0.04 1.68 1.57 1z7dC1 LYS 7 HE2 -0.06 0.00 -0.00 -0.04 2.99 2.89 1z7dC1 LYS 7 HE3 -0.05 0.01 0.00 -0.04 2.99 2.91 1z7dC1 THR 8 H -0.06 0.01 0.11 -0.55 8.28 7.79 1z7dC1 THR 8 HA 0.06 0.26 0.52 -0.75 4.39 4.49 1z7dC1 THR 8 HB 0.03 0.04 0.13 -0.04 4.32 4.47 1z7dC1 THR 8 HG23 0.00 0.04 0.02 -0.04 1.22 1.24 1z7dC1 PRO 9 HA 0.17 0.08 0.50 -0.51 4.44 4.68 1z7dC1 PRO 9 HB2 0.05 0.03 0.10 -0.04 2.28 2.42 1z7dC1 PRO 9 HB3 0.06 0.09 0.09 -0.04 2.02 2.21 1z7dC1 PRO 9 HG2 0.06 0.11 0.13 -0.04 2.03 2.28 1z7dC1 PRO 9 HG3 0.08 -0.04 0.15 -0.04 2.03 2.18 1z7dC1 PRO 9 HD2 0.05 0.11 0.23 -0.04 3.68 4.03 1z7dC1 PRO 9 HD3 0.08 0.21 0.18 -0.04 3.65 4.08 1z7dC1 GLU 10 H 0.04 0.15 -0.15 -0.55 8.60 8.08 1z7dC1 GLU 10 HA 0.03 0.09 0.41 -0.75 4.29 4.07 1z7dC1 GLU 10 HB2 0.00 0.02 -0.03 -0.04 2.09 2.04 1z7dC1 GLU 10 HB3 0.01 0.06 0.05 -0.04 1.99 2.06 1z7dC1 GLU 10 HG2 0.01 0.07 0.02 -0.04 2.34 2.41 1z7dC1 GLU 10 HG3 0.02 0.03 0.03 -0.04 2.34 2.38 1z7dC1 ASP 11 H -0.02 0.10 -0.25 -0.55 8.40 7.67 1z7dC1 ASP 11 HA -0.06 0.07 0.43 -0.75 4.63 4.32 1z7dC1 ASP 11 HB2 -0.25 0.14 0.10 -0.04 2.71 2.66 1z7dC1 ASP 11 HB3 -0.24 0.06 -0.01 -0.04 2.70 2.47 1z7dC1 TYR 12 H -0.01 0.43 -0.18 -0.55 8.29 7.99 1z7dC1 TYR 12 HA 0.02 0.05 0.49 -0.75 4.56 4.37 1z7dC1 TYR 12 HB2 0.01 0.10 0.12 -0.04 3.06 3.25 1z7dC1 TYR 12 HB3 0.01 -0.02 -0.03 -0.04 2.98 2.90 1z7dC1 TYR 12 HD2 0.01 -0.01 -0.14 -0.04 7.15 6.98 1z7dC1 TYR 12 HE2 0.00 0.09 -0.09 -0.04 6.85 6.81 1z7dC1 ILE 13 H 0.11 0.54 -0.05 -0.55 8.25 8.30 1z7dC1 ILE 13 HA 0.06 0.03 0.37 -0.75 4.18 3.89 1z7dC1 ILE 13 HB 0.03 -0.02 0.13 -0.04 1.89 2.00 1z7dC1 ILE 13 HG12 0.03 -0.01 -0.07 -0.04 1.49 1.41 1z7dC1 ILE 13 HG13 0.07 0.15 0.00 -0.04 1.21 1.39 1z7dC1 ILE 13 HG23 0.00 0.00 -0.11 -0.04 0.93 0.78 1z7dC1 ILE 13 HD13 0.02 -0.03 -0.15 -0.04 0.88 0.68 1z7dC1 ASN 14 H 0.02 0.72 -0.05 -0.55 8.53 8.68 1z7dC1 ASN 14 HA 0.00 0.02 0.45 -0.75 4.76 4.48 1z7dC1 ASN 14 HB2 0.00 0.11 0.15 -0.04 2.88 3.10 1z7dC1 ASN 14 HB3 0.00 -0.03 -0.02 -0.04 2.79 2.70 1z7dC1 ASN 14 HD21 -0.00 -0.04 -0.02 -0.04 7.03 6.92 1z7dC1 ASN 14 HD22 -0.01 -0.02 -0.05 -0.04 7.74 7.63 1z7dC1 ASN 15 H 0.05 0.46 -0.30 -0.55 8.53 8.19 1z7dC1 ASN 15 HA 0.15 0.02 0.56 -0.75 4.76 4.73 1z7dC1 ASN 15 HB2 0.05 0.09 0.16 -0.04 2.88 3.13 1z7dC1 ASN 15 HB3 0.12 0.11 0.18 -0.04 2.79 3.16 1z7dC1 ASN 15 HD21 0.05 -0.03 -0.06 -0.04 7.03 6.94 1z7dC1 ASN 15 HD22 0.14 0.03 -0.06 -0.04 7.74 7.81 1z7dC1 GLU 16 H 0.11 0.54 -0.07 -0.55 8.60 8.63 1z7dC1 GLU 16 HA 0.14 -0.01 0.48 -0.75 4.29 4.15 1z7dC1 GLU 16 HB2 0.07 0.14 0.15 -0.04 2.09 2.40 1z7dC1 GLU 16 HB3 0.08 -0.03 -0.04 -0.04 1.99 1.96 1z7dC1 GLU 16 HG2 0.09 -0.05 0.02 -0.04 2.34 2.35 1z7dC1 GLU 16 HG3 0.10 0.08 0.04 -0.04 2.34 2.52 1z7dC1 LEU 17 H 0.04 0.49 -0.15 -0.55 8.37 8.20 1z7dC1 LEU 17 HA -0.02 0.03 0.43 -0.75 4.35 4.04 1z7dC1 LEU 17 HB2 -0.01 0.06 0.17 -0.04 1.64 1.82 1z7dC1 LEU 17 HB3 -0.03 -0.03 -0.02 -0.04 1.64 1.52 1z7dC1 LEU 17 HG -0.10 0.03 0.01 -0.04 1.64 1.55 1z7dC1 LEU 17 HD13 -0.07 -0.03 -0.07 -0.04 0.93 0.72 1z7dC1 LEU 17 HD23 -0.53 -0.01 0.03 -0.04 0.89 0.35 1z7dC1 LYS 18 H 0.03 0.27 -0.44 -0.55 8.42 7.73 1z7dC1 LYS 18 HA -0.07 0.06 0.57 -0.75 4.32 4.12 1z7dC1 LYS 18 HB2 -0.13 -0.02 0.10 -0.04 1.87 1.77 1z7dC1 LYS 18 HB3 -0.16 0.12 0.21 -0.04 1.79 1.92 1z7dC1 LYS 18 HG2 -1.68 -0.01 -0.18 -0.04 1.46 -0.46 1z7dC1 LYS 18 HG3 -0.48 -0.02 -0.02 -0.04 1.46 0.89 1z7dC1 LYS 18 HD2 -0.17 -0.02 0.00 -0.04 1.69 1.46 1z7dC1 LYS 18 HD3 -0.17 -0.01 -0.00 -0.04 1.68 1.46 1z7dC1 LYS 18 HE2 -0.26 -0.01 -0.02 -0.04 2.99 2.65 1z7dC1 LYS 18 HE3 -0.33 -0.00 -0.02 -0.04 2.99 2.60 1z7dC1 TYR 19 H 0.12 0.41 0.07 -0.55 8.29 8.34 1z7dC1 TYR 19 HA 0.03 0.13 0.69 -0.75 4.56 4.65 1z7dC1 TYR 19 HB2 0.04 0.05 0.08 -0.04 3.06 3.18 1z7dC1 TYR 19 HB3 0.03 -0.07 0.11 -0.04 2.98 3.00 1z7dC1 TYR 19 HD2 0.02 0.11 0.06 -0.04 7.15 7.30 1z7dC1 TYR 19 HE2 0.01 -0.03 0.00 -0.04 6.85 6.79 1z7dC1 GLY 20 H 0.13 0.48 -0.11 -0.55 8.43 8.39 1z7dC1 GLY 20 HA2 0.09 0.05 0.84 -0.51 4.01 4.49 1z7dC1 GLY 20 HA3 0.12 -0.00 0.28 -0.51 4.01 3.90 1z7dC1 ALA 21 H 0.07 0.05 0.16 -0.55 8.40 8.13 1z7dC1 ALA 21 HA -0.06 0.14 0.57 -0.75 4.34 4.23 1z7dC1 ALA 21 HB3 0.01 -0.00 0.08 -0.04 1.41 1.45 1z7dC1 HIS 22 H -0.07 0.17 0.11 -0.55 8.41 8.07 1z7dC1 HIS 22 HA 0.03 0.18 0.56 -0.75 4.63 4.64 1z7dC1 HIS 22 HB2 -0.01 -0.04 0.21 -0.04 3.26 3.38 1z7dC1 HIS 22 HB3 0.01 0.03 0.17 -0.04 3.20 3.35 1z7dC1 HIS 22 HD2 0.02 0.07 -0.29 -0.04 6.97 6.73 1z7dC1 HIS 22 HE1 -0.01 -0.05 0.06 -0.04 7.75 7.70 1z7dC1 ASN 23 H 0.07 0.39 -0.35 -0.55 8.53 8.10 1z7dC1 ASN 23 HA -0.10 0.17 0.71 -0.75 4.76 4.79 1z7dC1 ASN 23 HB2 -0.31 -0.03 0.09 -0.04 2.88 2.58 1z7dC1 ASN 23 HB3 -0.08 -0.02 -0.01 -0.04 2.79 2.63 1z7dC1 ASN 23 HD21 0.17 -0.01 -0.02 -0.04 7.03 7.13 1z7dC1 ASN 23 HD22 -0.06 -0.03 -0.03 -0.04 7.74 7.58 1z7dC1 TYR 24 H 0.12 0.19 -0.10 -0.55 8.29 7.96 1z7dC1 TYR 24 HA 0.01 0.17 0.80 -0.75 4.56 4.79 1z7dC1 TYR 24 HB2 0.01 0.02 -0.02 -0.04 3.06 3.04 1z7dC1 TYR 24 HB3 0.01 -0.04 -0.03 -0.04 2.98 2.88 1z7dC1 TYR 24 HD2 0.01 -0.01 -0.06 -0.04 7.15 7.05 1z7dC1 TYR 24 HE2 -0.01 -0.03 -0.04 -0.04 6.85 6.73 1z7dC1 ASP 25 H 0.15 0.12 -0.04 -0.55 8.40 8.08 1z7dC1 ASP 25 HA 0.04 0.24 0.75 -0.75 4.63 4.91 1z7dC1 ASP 25 HB2 0.02 0.04 -0.11 -0.04 2.71 2.63 1z7dC1 ASP 25 HB3 0.03 -0.07 0.15 -0.04 2.70 2.78 1z7dC1 PRO 26 HA 0.03 -0.01 0.34 -0.51 4.44 4.29 1z7dC1 PRO 26 HB2 -0.01 0.16 -0.14 -0.04 2.28 2.25 1z7dC1 PRO 26 HB3 -0.02 -0.03 0.04 -0.04 2.02 1.97 1z7dC1 PRO 26 HG2 0.01 0.08 -0.05 -0.04 2.03 2.02 1z7dC1 PRO 26 HG3 0.04 -0.04 -0.09 -0.04 2.03 1.89 1z7dC1 PRO 26 HD2 0.02 0.13 0.01 -0.04 3.68 3.80 1z7dC1 PRO 26 HD3 0.07 0.24 -0.37 -0.04 3.65 3.55 1z7dC1 ILE 27 H -0.01 0.05 0.16 -0.55 8.25 7.90 1z7dC1 ILE 27 HA -0.02 0.12 0.55 -0.75 4.18 4.07 1z7dC1 ILE 27 HB -0.05 -0.07 0.16 -0.04 1.89 1.88 1z7dC1 ILE 27 HG12 -0.01 -0.09 0.18 -0.04 1.49 1.52 1z7dC1 ILE 27 HG13 -0.03 0.20 0.16 -0.04 1.21 1.50 1z7dC1 ILE 27 HG23 -0.06 -0.00 -0.10 -0.04 0.93 0.73 1z7dC1 ILE 27 HD13 -0.02 -0.00 0.05 -0.04 0.88 0.87 1z7dC1 PRO 28 HA -0.01 0.14 0.28 -0.51 4.44 4.33 1z7dC1 PRO 28 HB2 0.00 -0.04 0.18 -0.04 2.28 2.38 1z7dC1 PRO 28 HB3 -0.00 0.05 0.08 -0.04 2.02 2.12 1z7dC1 PRO 28 HG2 -0.01 0.01 0.03 -0.04 2.03 2.02 1z7dC1 PRO 28 HG3 -0.00 0.03 0.07 -0.04 2.03 2.09 1z7dC1 PRO 28 HD2 -0.02 0.03 0.16 -0.04 3.68 3.81 1z7dC1 PRO 28 HD3 -0.01 0.23 0.23 -0.04 3.65 4.05 1z7dC1 VAL 29 H -0.07 0.61 -0.19 -0.55 8.24 8.04 1z7dC1 VAL 29 HA -0.06 0.12 0.79 -0.75 4.13 4.23 1z7dC1 VAL 29 HB -0.21 -0.03 -0.13 -0.04 2.12 1.71 1z7dC1 VAL 29 HG13 -0.46 -0.01 -0.10 -0.04 0.97 0.36 1z7dC1 VAL 29 HG23 -0.22 0.02 -0.17 -0.04 0.95 0.55 1z7dC1 VAL 30 H -0.02 0.11 0.07 -0.55 8.24 7.86 1z7dC1 VAL 30 HA -0.06 0.24 0.97 -0.75 4.13 4.52 1z7dC1 VAL 30 HB 0.01 -0.13 0.17 -0.04 2.12 2.13 1z7dC1 VAL 30 HG13 -0.16 0.03 -0.11 -0.04 0.97 0.69 1z7dC1 VAL 30 HG23 0.05 0.05 -0.16 -0.04 0.95 0.85 1z7dC1 LEU 31 H -0.09 0.20 0.09 -0.55 8.37 8.03 1z7dC1 LEU 31 HA -0.03 0.12 0.48 -0.75 4.35 4.17 1z7dC1 LEU 31 HB2 -0.08 0.00 0.05 -0.04 1.64 1.57 1z7dC1 LEU 31 HB3 -0.06 0.03 -0.05 -0.04 1.64 1.51 1z7dC1 LEU 31 HG -0.08 -0.00 -0.12 -0.04 1.64 1.39 1z7dC1 LEU 31 HD13 -0.10 -0.02 -0.46 -0.04 0.93 0.31 1z7dC1 LEU 31 HD23 -0.11 0.01 -0.12 -0.04 0.89 0.63 1z7dC1 LYS 32 H 0.00 0.58 0.42 -0.55 8.42 8.87 1z7dC1 LYS 32 HA -0.07 0.18 0.87 -0.75 4.32 4.55 1z7dC1 LYS 32 HB2 -0.06 -0.00 0.09 -0.04 1.87 1.86 1z7dC1 LYS 32 HB3 -0.09 -0.01 -0.18 -0.04 1.79 1.47 1z7dC1 LYS 32 HG2 0.02 0.05 -0.29 -0.04 1.46 1.20 1z7dC1 LYS 32 HG3 -0.00 -0.01 -0.32 -0.04 1.46 1.09 1z7dC1 LYS 32 HD2 -0.02 -0.02 -0.07 -0.04 1.69 1.54 1z7dC1 LYS 32 HD3 -0.01 -0.02 -0.07 -0.04 1.68 1.54 1z7dC1 LYS 32 HE2 0.02 0.11 -0.05 -0.04 2.99 3.03 1z7dC1 LYS 32 HE3 -0.01 -0.05 -0.12 -0.04 2.99 2.78 1z7dC1 ARG 33 H 0.04 0.26 0.35 -0.55 8.46 8.56 1z7dC1 ARG 33 HA 0.00 0.14 0.66 -0.75 4.34 4.39 1z7dC1 ARG 33 HB2 -0.02 0.06 -0.29 -0.04 1.90 1.61 1z7dC1 ARG 33 HB3 0.04 -0.04 -0.08 -0.04 1.80 1.68 1z7dC1 ARG 33 HG2 -0.02 -0.03 0.00 -0.04 1.67 1.58 1z7dC1 ARG 33 HG3 -0.03 0.06 0.11 -0.04 1.67 1.78 1z7dC1 ARG 33 HD2 -0.10 0.01 -0.02 -0.04 3.22 3.07 1z7dC1 ARG 33 HD3 -0.13 0.02 -0.06 -0.04 3.22 3.01 1z7dC1 ALA 34 H 0.04 0.34 0.17 -0.55 8.40 8.40 1z7dC1 ALA 34 HA 0.11 0.12 0.76 -0.75 4.34 4.57 1z7dC1 ALA 34 HB3 -0.40 0.01 -0.05 -0.04 1.41 0.93 1z7dC1 LYS 35 H 0.18 0.64 0.18 -0.55 8.42 8.87 1z7dC1 LYS 35 HA 0.14 0.23 0.52 -0.75 4.32 4.44 1z7dC1 LYS 35 HB2 0.10 0.08 -0.13 -0.04 1.87 1.88 1z7dC1 LYS 35 HB3 0.22 -0.06 0.00 -0.04 1.79 1.92 1z7dC1 LYS 35 HG2 0.07 -0.02 -0.04 -0.04 1.46 1.43 1z7dC1 LYS 35 HG3 0.09 -0.06 -0.22 -0.04 1.46 1.23 1z7dC1 LYS 35 HD2 0.00 -0.05 0.02 -0.04 1.69 1.62 1z7dC1 LYS 35 HD3 0.05 0.11 0.09 -0.04 1.68 1.88 1z7dC1 LYS 35 HE2 0.04 0.01 0.06 -0.04 2.99 3.06 1z7dC1 LYS 35 HE3 0.01 -0.06 0.03 -0.04 2.99 2.93 1z7dC1 GLY 36 H 0.10 0.61 0.13 -0.55 8.43 8.72 1z7dC1 GLY 36 HA2 0.04 0.06 0.43 -0.51 4.01 4.03 1z7dC1 GLY 36 HA3 0.04 0.05 0.51 -0.51 4.01 4.09 1z7dC1 VAL 37 H -0.13 0.18 0.29 -0.55 8.24 8.03 1z7dC1 VAL 37 HA -0.06 0.10 0.58 -0.75 4.13 3.99 1z7dC1 VAL 37 HB -0.57 0.03 0.12 -0.04 2.12 1.66 1z7dC1 VAL 37 HG13 -0.03 -0.01 0.16 -0.04 0.97 1.05 1z7dC1 VAL 37 HG23 -0.11 -0.01 -0.06 -0.04 0.95 0.73 1z7dC1 PHE 38 H 0.02 0.48 -0.10 -0.55 8.34 8.19 1z7dC1 PHE 38 HA -0.15 0.31 1.09 -0.75 4.62 5.12 1z7dC1 PHE 38 HB2 -0.12 0.01 0.08 -0.04 3.15 3.08 1z7dC1 PHE 38 HB3 -0.57 0.06 0.01 -0.04 3.06 2.52 1z7dC1 PHE 38 HD2 -0.27 0.08 -0.18 -0.04 7.28 6.87 1z7dC1 PHE 38 HE2 -0.90 0.02 -0.05 -0.04 7.38 6.41 1z7dC1 PHE 38 HZ -0.31 -0.01 -0.03 -0.04 7.32 6.93 1z7dC1 VAL 39 H -0.07 0.64 0.41 -0.55 8.24 8.67 1z7dC1 VAL 39 HA -0.11 0.14 0.94 -0.75 4.13 4.35 1z7dC1 VAL 39 HB -0.11 0.02 0.07 -0.04 2.12 2.06 1z7dC1 VAL 39 HG13 -0.34 -0.02 -0.13 -0.04 0.97 0.43 1z7dC1 VAL 39 HG23 -0.01 0.01 -0.13 -0.04 0.95 0.79 1z7dC1 TYR 40 H 0.12 0.69 0.36 -0.55 8.29 8.92 1z7dC1 TYR 40 HA 0.06 0.40 0.95 -0.75 4.56 5.22 1z7dC1 TYR 40 HB2 -0.02 -0.09 0.04 -0.04 3.06 2.94 1z7dC1 TYR 40 HB3 -0.02 0.08 -0.09 -0.04 2.98 2.91 1z7dC1 TYR 40 HD2 -0.06 0.08 -0.37 -0.04 7.15 6.77 1z7dC1 TYR 40 HE2 -0.09 -0.01 -0.17 -0.04 6.85 6.54 1z7dC1 ASP 41 H 0.21 0.53 0.21 -0.55 8.40 8.81 1z7dC1 ASP 41 HA 0.05 0.17 0.95 -0.75 4.63 5.06 1z7dC1 ASP 41 HB2 0.07 0.06 0.24 -0.04 2.71 3.03 1z7dC1 ASP 41 HB3 0.17 0.00 -0.04 -0.04 2.70 2.79 1z7dC1 VAL 42 H 0.03 0.36 0.28 -0.55 8.24 8.36 1z7dC1 VAL 42 HA 0.02 0.11 0.33 -0.75 4.13 3.85 1z7dC1 VAL 42 HB 0.12 0.18 0.09 -0.04 2.12 2.47 1z7dC1 VAL 42 HG13 -0.14 0.04 -0.06 -0.04 0.97 0.77 1z7dC1 VAL 42 HG23 0.12 -0.02 -0.01 -0.04 0.95 0.99 1z7dC1 ASN 43 H 0.07 -0.03 -0.26 -0.55 8.53 7.77 1z7dC1 ASN 43 HA 0.04 0.25 0.77 -0.75 4.76 5.06 1z7dC1 ASN 43 HB2 0.05 -0.08 0.05 -0.04 2.88 2.86 1z7dC1 ASN 43 HB3 0.03 0.06 0.15 -0.04 2.79 2.98 1z7dC1 ASN 43 HD21 0.04 -0.05 0.01 -0.04 7.03 7.00 1z7dC1 ASN 43 HD22 0.04 0.14 0.02 -0.04 7.74 7.90 1z7dC1 ASP 44 H 0.06 0.48 -0.38 -0.55 8.40 8.01 1z7dC1 ASP 44 HA 0.08 0.08 0.22 -0.75 4.63 4.26 1z7dC1 ASP 44 HB2 0.01 0.24 -0.04 -0.04 2.71 2.88 1z7dC1 ASP 44 HB3 0.00 -0.06 0.13 -0.04 2.70 2.74 1z7dC1 LYS 45 H 0.03 -0.10 -0.42 -0.55 8.42 7.38 1z7dC1 LYS 45 HA -0.11 0.13 0.59 -0.75 4.32 4.18 1z7dC1 LYS 45 HB2 -0.26 -0.06 -0.10 -0.04 1.87 1.41 1z7dC1 LYS 45 HB3 -0.26 0.12 0.05 -0.04 1.79 1.66 1z7dC1 LYS 45 HG2 -0.03 0.13 -0.05 -0.04 1.46 1.47 1z7dC1 LYS 45 HG3 0.03 -0.22 -0.14 -0.04 1.46 1.09 1z7dC1 LYS 45 HD2 0.18 -0.11 -0.01 -0.04 1.69 1.71 1z7dC1 LYS 45 HD3 0.03 0.13 -0.01 -0.04 1.68 1.78 1z7dC1 LYS 45 HE2 0.06 -0.11 0.03 -0.04 2.99 2.92 1z7dC1 LYS 45 HE3 0.07 0.01 0.02 -0.04 2.99 3.06 1z7dC1 ARG 46 H -0.27 0.18 0.21 -0.55 8.46 8.02 1z7dC1 ARG 46 HA -0.41 0.27 0.95 -0.75 4.34 4.40 1z7dC1 ARG 46 HB2 -0.29 0.01 -0.02 -0.04 1.90 1.56 1z7dC1 ARG 46 HB3 -0.31 -0.01 0.12 -0.04 1.80 1.56 1z7dC1 ARG 46 HG2 -0.44 0.08 -0.14 -0.04 1.67 1.13 1z7dC1 ARG 46 HG3 -0.94 -0.06 -0.06 -0.04 1.67 0.57 1z7dC1 ARG 46 HD2 -0.45 0.02 -0.07 -0.04 3.22 2.67 1z7dC1 ARG 46 HD3 -0.92 -0.02 -0.17 -0.04 3.22 2.06 1z7dC1 TYR 47 H -0.07 0.60 0.38 -0.55 8.29 8.64 1z7dC1 TYR 47 HA 0.01 0.37 0.86 -0.75 4.56 5.05 1z7dC1 TYR 47 HB2 -0.03 -0.14 -0.09 -0.04 3.06 2.76 1z7dC1 TYR 47 HB3 0.03 0.02 -0.20 -0.04 2.98 2.78 1z7dC1 TYR 47 HD2 -0.05 0.05 -0.20 -0.04 7.15 6.92 1z7dC1 TYR 47 HE2 -0.02 0.03 -0.11 -0.04 6.85 6.71 1z7dC1 TYR 48 H 0.35 0.70 0.37 -0.55 8.29 9.16 1z7dC1 TYR 48 HA 0.05 0.16 0.85 -0.75 4.56 4.87 1z7dC1 TYR 48 HB2 0.08 0.03 0.21 -0.04 3.06 3.34 1z7dC1 TYR 48 HB3 0.30 -0.00 -0.07 -0.04 2.98 3.17 1z7dC1 TYR 48 HD2 -0.01 0.11 0.04 -0.04 7.15 7.25 1z7dC1 TYR 48 HE2 0.01 -0.04 -0.01 -0.04 6.85 6.77 1z7dC1 ASP 49 H 0.13 0.73 0.34 -0.55 8.40 9.06 1z7dC1 ASP 49 HA 0.14 0.09 0.79 -0.75 4.63 4.90 1z7dC1 ASP 49 HB2 0.10 0.05 0.00 -0.04 2.71 2.82 1z7dC1 ASP 49 HB3 0.15 0.10 0.19 -0.04 2.70 3.09 1z7dC1 PHE 50 H 0.26 0.68 0.24 -0.55 8.34 8.96 1z7dC1 PHE 50 HA -0.02 0.18 0.60 -0.75 4.62 4.62 1z7dC1 PHE 50 HB2 0.02 0.11 -0.04 -0.04 3.15 3.19 1z7dC1 PHE 50 HB3 0.00 0.02 0.14 -0.04 3.06 3.18 1z7dC1 PHE 50 HD2 0.04 -0.07 -0.28 -0.04 7.28 6.93 1z7dC1 PHE 50 HE2 -0.10 0.00 -0.11 -0.04 7.38 7.14 1z7dC1 PHE 50 HZ -0.31 -0.01 -0.08 -0.04 7.32 6.87 1z7dC1 LEU 51 H 0.01 -0.11 -0.23 -0.55 8.37 7.50 1z7dC1 LEU 51 HA -0.14 0.26 0.92 -0.75 4.35 4.63 1z7dC1 LEU 51 HB2 -0.12 0.07 -0.03 -0.04 1.64 1.52 1z7dC1 LEU 51 HB3 -0.14 -0.10 0.05 -0.04 1.64 1.41 1z7dC1 LEU 51 HG -0.70 -0.29 -0.05 -0.04 1.64 0.56 1z7dC1 LEU 51 HD13 -0.58 0.03 0.07 -0.04 0.93 0.40 1z7dC1 LEU 51 HD23 -0.30 0.02 -0.07 -0.04 0.89 0.49 1z7dC1 SER 52 H -0.05 0.03 -0.03 -0.55 8.46 7.86 1z7dC1 SER 52 HA -0.12 0.10 0.20 -0.75 4.49 3.91 1z7dC1 SER 52 HB2 -0.11 0.07 -0.06 -0.04 3.95 3.81 1z7dC1 SER 52 HB3 -0.12 -0.17 -0.15 -0.04 3.93 3.45 1z7dC1 ALA 53 H -0.09 0.08 -0.25 -0.55 8.40 7.60 1z7dC1 ALA 53 HA -0.06 0.07 0.18 -0.75 4.34 3.78 1z7dC1 ALA 53 HB3 0.01 0.03 0.04 -0.04 1.41 1.44 1z7dC1 TYR 54 H -0.35 0.31 -0.36 -0.55 8.29 7.34 1z7dC1 TYR 54 HA -0.02 0.15 0.28 -0.75 4.56 4.22 1z7dC1 TYR 54 HB2 -0.02 0.09 -0.13 -0.04 3.06 2.96 1z7dC1 TYR 54 HB3 -0.01 -0.04 0.14 -0.04 2.98 3.03 1z7dC1 TYR 54 HD2 -0.01 0.01 -0.18 -0.04 7.15 6.92 1z7dC1 TYR 54 HE2 -0.02 0.02 -0.06 -0.04 6.85 6.76 1z7dC1 SER 55 H -0.04 0.23 -0.35 -0.55 8.46 7.75 1z7dC1 SER 55 HA -0.04 0.03 0.20 -0.75 4.49 3.93 1z7dC1 SER 55 HB2 0.03 0.29 0.25 -0.04 3.95 4.49 1z7dC1 SER 55 HB3 -0.00 -0.08 0.24 -0.04 3.93 4.04 1z7dC1 SER 56 H 0.00 0.48 -0.30 -0.55 8.46 8.10 1z7dC1 SER 56 HA -0.00 -0.08 0.09 -0.75 4.49 3.74 1z7dC1 SER 56 HB2 -0.01 0.11 0.09 -0.04 3.95 4.10 1z7dC1 SER 56 HB3 -0.01 -0.08 -0.07 -0.04 3.93 3.72 1z7dC1 VAL 57 H -0.10 0.42 -0.30 -0.55 8.24 7.71 1z7dC1 VAL 57 HA -0.07 0.24 0.69 -0.75 4.13 4.24 1z7dC1 VAL 57 HB -0.29 -0.00 -0.37 -0.04 2.12 1.42 1z7dC1 VAL 57 HG13 -0.19 0.05 -0.28 -0.04 0.97 0.51 1z7dC1 VAL 57 HG23 -0.64 0.02 -0.18 -0.04 0.95 0.11 1z7dC1 ASN 58 H -0.05 0.39 -0.52 -0.55 8.53 7.81 1z7dC1 ASN 58 HA -0.07 0.06 0.49 -0.75 4.76 4.49 1z7dC1 ASN 58 HB2 -0.03 0.01 0.12 -0.04 2.88 2.94 1z7dC1 ASN 58 HB3 -0.04 0.03 0.04 -0.04 2.79 2.78 1z7dC1 ASN 58 HD21 -0.02 0.03 0.07 -0.04 7.03 7.06 1z7dC1 ASN 58 HD22 -0.02 0.13 0.13 -0.04 7.74 7.94 1z7dC1 GLN 59 H -0.02 0.11 -0.36 -0.55 8.47 7.65 1z7dC1 GLN 59 HA 0.01 0.09 0.34 -0.75 4.36 4.04 1z7dC1 GLN 59 HB2 0.02 0.06 0.06 -0.04 2.15 2.26 1z7dC1 GLN 59 HB3 0.03 -0.03 0.12 -0.04 2.02 2.10 1z7dC1 GLN 59 HG2 -0.09 0.03 0.07 -0.04 2.40 2.37 1z7dC1 GLN 59 HG3 -0.04 -0.02 -0.04 -0.04 2.39 2.26 1z7dC1 GLN 59 HE21 -0.02 0.49 0.13 -0.04 6.97 7.53 1z7dC1 GLN 59 HE22 -0.05 0.31 0.04 -0.04 7.69 7.94 1z7dC1 GLY 60 H -0.05 0.43 -0.67 -0.55 8.43 7.61 1z7dC1 GLY 60 HA2 -0.03 0.09 0.28 -0.51 4.01 3.84 1z7dC1 GLY 60 HA3 0.03 0.07 0.70 -0.51 4.01 4.30 1z7dC1 HIS 61 H 0.11 0.68 0.20 -0.55 8.41 8.85 1z7dC1 HIS 61 HA 0.03 0.02 0.41 -0.75 4.63 4.35 1z7dC1 HIS 61 HB2 0.04 -0.04 -0.19 -0.04 3.26 3.03 1z7dC1 HIS 61 HB3 0.03 0.08 -0.27 -0.04 3.20 3.00 1z7dC1 HIS 61 HD2 -0.01 0.21 -0.09 -0.04 6.97 7.03 1z7dC1 HIS 61 HE1 -0.03 -0.04 -0.11 -0.04 7.75 7.53 1z7dC1 CYS 62 H 0.13 0.16 0.14 -0.55 8.50 8.38 1z7dC1 CYS 62 HA 0.21 0.04 0.32 -0.75 4.58 4.39 1z7dC1 CYS 62 HB2 0.11 0.13 -0.26 -0.04 2.97 2.91 1z7dC1 CYS 62 HB3 0.09 -0.02 0.18 -0.04 2.97 3.18 1z7dC1 HIS 63 H 0.27 0.17 -0.16 -0.55 8.41 8.15 1z7dC1 HIS 63 HA 0.06 0.17 0.50 -0.75 4.63 4.59 1z7dC1 HIS 63 HB2 0.04 0.22 0.04 -0.04 3.26 3.52 1z7dC1 HIS 63 HB3 0.01 -0.17 0.13 -0.04 3.20 3.12 1z7dC1 HIS 63 HD2 0.01 0.31 0.11 -0.04 6.97 7.36 1z7dC1 HIS 63 HE1 -0.00 0.02 0.05 -0.04 7.75 7.77 1z7dC1 PRO 64 HA 0.07 0.10 0.39 -0.51 4.44 4.49 1z7dC1 PRO 64 HB2 0.03 0.01 0.03 -0.04 2.28 2.32 1z7dC1 PRO 64 HB3 0.02 0.06 0.13 -0.04 2.02 2.18 1z7dC1 PRO 64 HG2 -0.09 0.04 0.12 -0.04 2.03 2.07 1z7dC1 PRO 64 HG3 -0.04 0.13 0.16 -0.04 2.03 2.25 1z7dC1 PRO 64 HD2 -0.54 0.04 0.24 -0.04 3.68 3.39 1z7dC1 PRO 64 HD3 -0.26 0.23 0.34 -0.04 3.65 3.92 1z7dC1 ASN 65 H 0.52 0.15 -0.17 -0.55 8.53 8.50 1z7dC1 ASN 65 HA 0.04 0.11 0.49 -0.75 4.76 4.65 1z7dC1 ASN 65 HB2 -0.09 -0.01 0.05 -0.04 2.88 2.78 1z7dC1 ASN 65 HB3 -0.06 0.04 -0.04 -0.04 2.79 2.69 1z7dC1 ASN 65 HD21 0.05 0.04 -0.00 -0.04 7.03 7.08 1z7dC1 ASN 65 HD22 -0.02 0.00 -0.01 -0.04 7.74 7.67 1z7dC1 ILE 66 H -0.01 0.16 -0.22 -0.55 8.25 7.62 1z7dC1 ILE 66 HA -0.17 0.05 0.48 -0.75 4.18 3.78 1z7dC1 ILE 66 HB -0.36 0.13 0.11 -0.04 1.89 1.72 1z7dC1 ILE 66 HG12 -0.17 -0.01 -0.14 -0.04 1.49 1.13 1z7dC1 ILE 66 HG13 -0.21 -0.12 -0.01 -0.04 1.21 0.83 1z7dC1 ILE 66 HG23 -0.41 0.03 -0.02 -0.04 0.93 0.50 1z7dC1 ILE 66 HD13 -0.06 0.03 0.04 -0.04 0.88 0.86 1z7dC1 LEU 67 H -0.09 0.41 -0.15 -0.55 8.37 7.99 1z7dC1 LEU 67 HA -0.05 0.04 0.36 -0.75 4.35 3.94 1z7dC1 LEU 67 HB2 0.19 0.02 0.03 -0.04 1.64 1.84 1z7dC1 LEU 67 HB3 0.06 0.08 0.11 -0.04 1.64 1.85 1z7dC1 LEU 67 HG 0.04 -0.01 -0.30 -0.04 1.64 1.33 1z7dC1 LEU 67 HD13 0.10 -0.01 0.01 -0.04 0.93 0.99 1z7dC1 LEU 67 HD23 0.06 0.01 -0.02 -0.04 0.89 0.90 1z7dC1 ASN 68 H -0.01 0.51 -0.18 -0.55 8.53 8.31 1z7dC1 ASN 68 HA -0.00 0.03 0.51 -0.75 4.76 4.54 1z7dC1 ASN 68 HB2 -0.01 0.07 0.19 -0.04 2.88 3.10 1z7dC1 ASN 68 HB3 -0.01 -0.03 0.01 -0.04 2.79 2.72 1z7dC1 ASN 68 HD21 0.02 -0.03 -0.02 -0.04 7.03 6.95 1z7dC1 ASN 68 HD22 0.02 -0.05 -0.03 -0.04 7.74 7.64 1z7dC1 ALA 69 H -0.06 0.53 -0.12 -0.55 8.40 8.21 1z7dC1 ALA 69 HA -0.04 0.00 0.47 -0.75 4.34 4.02 1z7dC1 ALA 69 HB3 -0.08 0.04 0.09 -0.04 1.41 1.41 1z7dC1 MET 70 H -0.07 0.50 -0.25 -0.55 8.47 8.11 1z7dC1 MET 70 HA -0.03 -0.01 0.47 -0.75 4.52 4.21 1z7dC1 MET 70 HB2 -0.03 0.01 0.08 -0.04 2.15 2.17 1z7dC1 MET 70 HB3 0.01 0.13 0.19 -0.04 2.03 2.32 1z7dC1 MET 70 HG2 0.06 -0.02 -0.23 -0.04 2.63 2.41 1z7dC1 MET 70 HG3 0.07 -0.06 0.02 -0.04 2.56 2.54 1z7dC1 MET 70 HE3 0.12 0.00 -0.03 -0.04 2.10 2.15 1z7dC1 ILE 71 H 0.00 0.66 -0.02 -0.55 8.25 8.35 1z7dC1 ILE 71 HA 0.02 0.01 0.44 -0.75 4.18 3.90 1z7dC1 ILE 71 HB 0.01 0.07 0.17 -0.04 1.89 2.10 1z7dC1 ILE 71 HG12 0.03 -0.05 0.02 -0.04 1.49 1.45 1z7dC1 ILE 71 HG13 0.03 0.23 0.09 -0.04 1.21 1.52 1z7dC1 ILE 71 HG23 0.01 -0.01 -0.12 -0.04 0.93 0.77 1z7dC1 ILE 71 HD13 0.02 -0.02 -0.04 -0.04 0.88 0.80 1z7dC1 ASN 72 H -0.01 0.65 -0.07 -0.55 8.53 8.55 1z7dC1 ASN 72 HA -0.00 0.01 0.40 -0.75 4.76 4.41 1z7dC1 ASN 72 HB2 -0.02 0.07 0.18 -0.04 2.88 3.06 1z7dC1 ASN 72 HB3 -0.02 -0.04 -0.03 -0.04 2.79 2.66 1z7dC1 ASN 72 HD21 -0.01 -0.05 -0.04 -0.04 7.03 6.89 1z7dC1 ASN 72 HD22 -0.02 -0.03 -0.06 -0.04 7.74 7.58 1z7dC1 GLN 73 H -0.02 0.49 -0.16 -0.55 8.47 8.23 1z7dC1 GLN 73 HA -0.02 0.02 0.57 -0.75 4.36 4.18 1z7dC1 GLN 73 HB2 -0.04 -0.01 0.15 -0.04 2.15 2.21 1z7dC1 GLN 73 HB3 -0.03 0.08 0.19 -0.04 2.02 2.21 1z7dC1 GLN 73 HG2 -0.05 0.06 -0.07 -0.04 2.40 2.30 1z7dC1 GLN 73 HG3 -0.03 0.12 -0.19 -0.04 2.39 2.26 1z7dC1 GLN 73 HE21 -0.01 -0.08 0.05 -0.04 6.97 6.89 1z7dC1 GLN 73 HE22 -0.01 0.56 0.14 -0.04 7.69 8.33 1z7dC1 ALA 74 H 0.00 0.62 -0.05 -0.55 8.40 8.43 1z7dC1 ALA 74 HA 0.02 -0.04 0.16 -0.75 4.34 3.73 1z7dC1 ALA 74 HB3 0.03 -0.01 0.08 -0.04 1.41 1.48 1z7dC1 LYS 75 H 0.01 0.46 -0.40 -0.55 8.42 7.93 1z7dC1 LYS 75 HA 0.01 0.02 0.54 -0.75 4.32 4.13 1z7dC1 LYS 75 HB2 0.00 0.17 0.08 -0.04 1.87 2.08 1z7dC1 LYS 75 HB3 0.00 -0.06 -0.02 -0.04 1.79 1.67 1z7dC1 LYS 75 HG2 0.01 -0.05 0.05 -0.04 1.46 1.42 1z7dC1 LYS 75 HG3 0.01 0.11 0.02 -0.04 1.46 1.56 1z7dC1 LYS 75 HD2 0.00 -0.03 -0.00 -0.04 1.69 1.62 1z7dC1 LYS 75 HD3 0.01 -0.05 -0.02 -0.04 1.68 1.57 1z7dC1 LYS 75 HE2 0.00 0.06 -0.15 -0.04 2.99 2.86 1z7dC1 LYS 75 HE3 0.00 0.03 -0.00 -0.04 2.99 2.98 1z7dC1 ASN 76 H 0.00 0.45 -0.26 -0.55 8.53 8.18 1z7dC1 ASN 76 HA 0.00 0.13 0.83 -0.75 4.76 4.97 1z7dC1 ASN 76 HB2 -0.00 0.12 0.22 -0.04 2.88 3.17 1z7dC1 ASN 76 HB3 -0.00 -0.10 -0.02 -0.04 2.79 2.63 1z7dC1 ASN 76 HD21 -0.00 -0.08 0.01 -0.04 7.03 6.92 1z7dC1 ASN 76 HD22 -0.01 0.21 0.13 -0.04 7.74 8.03 1z7dC1 LEU 77 H 0.00 0.63 0.16 -0.55 8.37 8.62 1z7dC1 LEU 77 HA 0.01 0.08 0.55 -0.75 4.35 4.24 1z7dC1 LEU 77 HB2 0.01 0.01 -0.23 -0.04 1.64 1.39 1z7dC1 LEU 77 HB3 0.01 -0.10 -0.06 -0.04 1.64 1.44 1z7dC1 LEU 77 HG 0.01 0.11 0.02 -0.04 1.64 1.75 1z7dC1 LEU 77 HD13 0.03 -0.03 -0.05 -0.04 0.93 0.84 1z7dC1 LEU 77 HD23 0.03 -0.03 -0.09 -0.04 0.89 0.76 1z7dC1 THR 78 H 0.02 0.13 0.13 -0.55 8.28 8.02 1z7dC1 THR 78 HA 0.01 0.16 1.02 -0.75 4.39 4.83 1z7dC1 THR 78 HB 0.10 -0.05 0.06 -0.04 4.32 4.39 1z7dC1 THR 78 HG23 0.05 0.04 -0.06 -0.04 1.22 1.20 1z7dC1 ILE 79 H 0.02 0.23 0.19 -0.55 8.25 8.14 1z7dC1 ILE 79 HA -0.05 0.03 0.58 -0.75 4.18 3.99 1z7dC1 ILE 79 HB -0.08 0.08 -0.10 -0.04 1.89 1.75 1z7dC1 ILE 79 HG12 -0.25 0.05 -0.15 -0.04 1.49 1.09 1z7dC1 ILE 79 HG13 -0.20 -0.23 0.16 -0.04 1.21 0.90 1z7dC1 ILE 79 HG23 -0.04 0.02 -0.05 -0.04 0.93 0.81 1z7dC1 ILE 79 HD13 -0.91 0.03 -0.06 -0.04 0.88 -0.11 1z7dC1 CYS 80 H -0.04 0.04 0.20 -0.55 8.50 8.15 1z7dC1 CYS 80 HA 0.08 0.22 0.83 -0.75 4.58 4.96 1z7dC1 CYS 80 HB2 0.47 0.03 0.11 -0.04 2.97 3.55 1z7dC1 CYS 80 HB3 0.13 0.02 0.00 -0.04 2.97 3.09 1z7dC1 SER 81 H -0.11 -0.16 0.16 -0.55 8.46 7.80 1z7dC1 SER 81 HA -0.19 0.16 0.42 -0.75 4.49 4.13 1z7dC1 SER 81 HB2 -0.20 -0.04 0.22 -0.04 3.95 3.88 1z7dC1 SER 81 HB3 -0.17 0.02 -0.04 -0.04 3.93 3.71 1z7dC1 ARG 82 H -0.22 0.16 0.15 -0.55 8.46 8.00 1z7dC1 ARG 82 HA -0.20 0.31 0.61 -0.75 4.34 4.30 1z7dC1 ARG 82 HB2 -0.20 -0.06 0.05 -0.04 1.90 1.66 1z7dC1 ARG 82 HB3 -0.19 0.03 0.13 -0.04 1.80 1.73 1z7dC1 ARG 82 HG2 -0.15 -0.01 0.03 -0.04 1.67 1.50 1z7dC1 ARG 82 HG3 -0.13 -0.03 -0.01 -0.04 1.67 1.46 1z7dC1 ARG 82 HD2 -0.12 0.00 -0.15 -0.04 3.22 2.91 1z7dC1 ARG 82 HD3 -0.08 0.22 -0.09 -0.04 3.22 3.23 1z7dC1 ALA 83 H -0.39 -0.03 -0.42 -0.55 8.40 7.02 1z7dC1 ALA 83 HA -0.26 0.10 0.60 -0.75 4.34 4.02 1z7dC1 ALA 83 HB3 -0.62 0.01 0.04 -0.04 1.41 0.80 1z7dC1 PHE 84 H -0.41 0.33 -0.25 -0.55 8.34 7.45 1z7dC1 PHE 84 HA -0.06 0.18 0.85 -0.75 4.62 4.83 1z7dC1 PHE 84 HB2 -0.02 0.01 -0.08 -0.04 3.15 3.02 1z7dC1 PHE 84 HB3 0.03 -0.02 0.11 -0.04 3.06 3.13 1z7dC1 PHE 84 HD2 -0.01 0.05 -0.11 -0.04 7.28 7.16 1z7dC1 PHE 84 HE2 -0.01 0.01 -0.00 -0.04 7.38 7.34 1z7dC1 PHE 84 HZ -0.01 -0.02 -0.01 -0.04 7.32 7.25 1z7dC1 PHE 85 H 0.36 0.11 0.12 -0.55 8.34 8.37 1z7dC1 PHE 85 HA 0.04 0.15 0.79 -0.75 4.62 4.85 1z7dC1 PHE 85 HB2 0.04 -0.02 0.05 -0.04 3.15 3.18 1z7dC1 PHE 85 HB3 0.02 0.01 0.01 -0.04 3.06 3.07 1z7dC1 PHE 85 HD2 0.03 -0.03 0.03 -0.04 7.28 7.27 1z7dC1 PHE 85 HE2 0.02 0.01 -0.02 -0.04 7.38 7.35 1z7dC1 PHE 85 HZ 0.02 0.02 -0.02 -0.04 7.32 7.29 1z7dC1 SER 86 H 0.16 0.19 0.16 -0.55 8.46 8.43 1z7dC1 SER 86 HA 0.09 0.22 0.70 -0.75 4.49 4.75 1z7dC1 SER 86 HB2 0.04 0.01 0.10 -0.04 3.95 4.06 1z7dC1 SER 86 HB3 0.05 0.08 -0.11 -0.04 3.93 3.91 1z7dC1 VAL 87 H 0.04 0.20 0.11 -0.55 8.24 8.03 1z7dC1 VAL 87 HA 0.03 0.09 0.49 -0.75 4.13 3.99 1z7dC1 VAL 87 HB 0.01 0.04 0.15 -0.04 2.12 2.28 1z7dC1 VAL 87 HG13 0.00 0.01 -0.11 -0.04 0.97 0.83 1z7dC1 VAL 87 HG23 0.01 0.02 0.03 -0.04 0.95 0.96 1z7dC1 PRO 88 HA -0.01 0.07 0.26 -0.51 4.44 4.25 1z7dC1 PRO 88 HB2 -0.02 0.00 0.06 -0.04 2.28 2.28 1z7dC1 PRO 88 HB3 -0.03 0.06 0.07 -0.04 2.02 2.07 1z7dC1 PRO 88 HG2 -0.02 0.09 0.07 -0.04 2.03 2.13 1z7dC1 PRO 88 HG3 -0.01 0.08 0.07 -0.04 2.03 2.12 1z7dC1 PRO 88 HD2 0.01 0.03 -0.00 -0.04 3.68 3.68 1z7dC1 PRO 88 HD3 0.01 0.07 0.17 -0.04 3.65 3.86 1z7dC1 LEU 89 H 0.02 0.17 -0.39 -0.55 8.37 7.63 1z7dC1 LEU 89 HA -0.00 0.02 0.28 -0.75 4.35 3.89 1z7dC1 LEU 89 HB2 0.01 0.15 0.05 -0.04 1.64 1.81 1z7dC1 LEU 89 HB3 0.05 0.03 0.11 -0.04 1.64 1.79 1z7dC1 LEU 89 HG 0.03 -0.03 -0.19 -0.04 1.64 1.41 1z7dC1 LEU 89 HD13 -0.00 -0.02 0.05 -0.04 0.93 0.92 1z7dC1 LEU 89 HD23 0.01 0.06 0.03 -0.04 0.89 0.95 1z7dC1 GLY 90 H 0.05 0.30 -0.02 -0.55 8.43 8.22 1z7dC1 GLY 90 HA2 0.04 0.04 0.43 -0.51 4.01 4.01 1z7dC1 GLY 90 HA3 0.04 0.11 0.33 -0.51 4.01 3.97 1z7dC1 ILE 91 H 0.02 0.29 -0.20 -0.55 8.25 7.81 1z7dC1 ILE 91 HA 0.04 0.03 0.48 -0.75 4.18 3.97 1z7dC1 ILE 91 HB -0.01 0.17 0.10 -0.04 1.89 2.11 1z7dC1 ILE 91 HG12 0.01 -0.01 0.02 -0.04 1.49 1.47 1z7dC1 ILE 91 HG13 0.01 0.05 0.05 -0.04 1.21 1.28 1z7dC1 ILE 91 HG23 0.00 -0.01 -0.09 -0.04 0.93 0.79 1z7dC1 ILE 91 HD13 -0.00 -0.02 -0.08 -0.04 0.88 0.74 1z7dC1 CYS 92 H 0.00 0.48 -0.10 -0.55 8.50 8.33 1z7dC1 CYS 92 HA 0.00 0.00 0.46 -0.75 4.58 4.29 1z7dC1 CYS 92 HB2 -0.03 0.08 0.13 -0.04 2.97 3.11 1z7dC1 CYS 92 HB3 -0.00 0.14 0.17 -0.04 2.97 3.24 1z7dC1 GLU 93 H 0.04 0.55 -0.09 -0.55 8.60 8.55 1z7dC1 GLU 93 HA 0.04 -0.04 0.35 -0.75 4.29 3.88 1z7dC1 GLU 93 HB2 0.04 0.10 0.20 -0.04 2.09 2.39 1z7dC1 GLU 93 HB3 0.04 -0.02 0.04 -0.04 1.99 2.01 1z7dC1 GLU 93 HG2 0.02 -0.03 0.01 -0.04 2.34 2.31 1z7dC1 GLU 93 HG3 0.02 0.01 0.02 -0.04 2.34 2.35 1z7dC1 ARG 94 H 0.05 0.58 -0.08 -0.55 8.46 8.46 1z7dC1 ARG 94 HA 0.04 0.05 0.47 -0.75 4.34 4.14 1z7dC1 ARG 94 HB2 0.03 0.01 0.13 -0.04 1.90 2.04 1z7dC1 ARG 94 HB3 0.06 0.08 0.20 -0.04 1.80 2.10 1z7dC1 ARG 94 HG2 0.02 -0.02 -0.19 -0.04 1.67 1.44 1z7dC1 ARG 94 HG3 0.02 -0.01 0.02 -0.04 1.67 1.66 1z7dC1 ARG 94 HD2 0.05 0.02 0.01 -0.04 3.22 3.25 1z7dC1 ARG 94 HD3 0.03 -0.01 -0.05 -0.04 3.22 3.15 1z7dC1 TYR 95 H 0.17 0.63 -0.03 -0.55 8.29 8.50 1z7dC1 TYR 95 HA -0.00 0.00 0.43 -0.75 4.56 4.23 1z7dC1 TYR 95 HB2 -0.01 0.07 0.14 -0.04 3.06 3.22 1z7dC1 TYR 95 HB3 -0.01 0.08 0.19 -0.04 2.98 3.21 1z7dC1 TYR 95 HD2 -0.01 0.01 -0.14 -0.04 7.15 6.97 1z7dC1 TYR 95 HE2 -0.02 -0.02 -0.05 -0.04 6.85 6.71 1z7dC1 LEU 96 H 0.18 0.71 -0.12 -0.55 8.37 8.59 1z7dC1 LEU 96 HA 0.11 -0.01 0.29 -0.75 4.35 3.99 1z7dC1 LEU 96 HB2 0.08 0.20 0.09 -0.04 1.64 1.98 1z7dC1 LEU 96 HB3 0.05 -0.05 -0.15 -0.04 1.64 1.45 1z7dC1 LEU 96 HG 0.15 0.02 -0.05 -0.04 1.64 1.73 1z7dC1 LEU 96 HD13 0.03 -0.02 -0.15 -0.04 0.93 0.75 1z7dC1 LEU 96 HD23 0.06 -0.02 -0.06 -0.04 0.89 0.83 1z7dC1 THR 97 H 0.04 0.52 -0.23 -0.55 8.28 8.06 1z7dC1 THR 97 HA 0.07 -0.08 0.30 -0.75 4.39 3.93 1z7dC1 THR 97 HB 0.05 0.37 -0.06 -0.04 4.32 4.64 1z7dC1 THR 97 HG23 0.05 0.03 -0.23 -0.04 1.22 1.02 1z7dC1 ASN 98 H -0.02 0.57 -0.09 -0.55 8.53 8.44 1z7dC1 ASN 98 HA -0.04 0.03 0.46 -0.75 4.76 4.45 1z7dC1 ASN 98 HB2 -0.11 0.14 0.17 -0.04 2.88 3.04 1z7dC1 ASN 98 HB3 -0.10 -0.06 -0.03 -0.04 2.79 2.57 1z7dC1 ASN 98 HD21 -0.02 -0.05 -0.01 -0.04 7.03 6.91 1z7dC1 ASN 98 HD22 -0.05 -0.03 -0.02 -0.04 7.74 7.60 1z7dC1 LEU 99 H -0.14 0.52 -0.16 -0.55 8.37 8.05 1z7dC1 LEU 99 HA -0.13 0.01 0.42 -0.75 4.35 3.90 1z7dC1 LEU 99 HB2 -0.26 0.24 0.14 -0.04 1.64 1.72 1z7dC1 LEU 99 HB3 -0.05 0.02 -0.00 -0.04 1.64 1.57 1z7dC1 LEU 99 HG -0.29 -0.01 -0.01 -0.04 1.64 1.29 1z7dC1 LEU 99 HD13 0.03 -0.03 -0.06 -0.04 0.93 0.83 1z7dC1 LEU 99 HD23 -0.06 -0.01 0.02 -0.04 0.89 0.79 1z7dC1 LEU 100 H 0.02 0.39 -0.25 -0.55 8.37 7.99 1z7dC1 LEU 100 HA 0.08 0.12 0.63 -0.75 4.35 4.42 1z7dC1 LEU 100 HB2 0.16 0.07 -0.01 -0.04 1.64 1.82 1z7dC1 LEU 100 HB3 0.22 -0.07 0.02 -0.04 1.64 1.76 1z7dC1 LEU 100 HG 0.03 0.02 -0.14 -0.04 1.64 1.51 1z7dC1 LEU 100 HD13 0.02 -0.02 -0.09 -0.04 0.93 0.79 1z7dC1 LEU 100 HD23 0.00 -0.00 -0.14 -0.04 0.89 0.71 1z7dC1 GLY 101 H -0.01 0.34 -0.27 -0.55 8.43 7.94 1z7dC1 GLY 101 HA2 -0.08 0.04 0.27 -0.51 4.01 3.74 1z7dC1 GLY 101 HA3 -0.15 0.01 0.36 -0.51 4.01 3.71 1z7dC1 TYR 102 H 0.10 0.38 0.03 -0.55 8.29 8.25 1z7dC1 TYR 102 HA -0.01 0.14 0.63 -0.75 4.56 4.57 1z7dC1 TYR 102 HB2 -0.01 -0.01 -0.12 -0.04 3.06 2.88 1z7dC1 TYR 102 HB3 -0.01 -0.14 -0.13 -0.04 2.98 2.66 1z7dC1 TYR 102 HD2 -0.02 -0.15 -0.21 -0.04 7.15 6.73 1z7dC1 TYR 102 HE2 -0.02 0.07 -0.08 -0.04 6.85 6.78 1z7dC1 ASP 103 H 0.13 0.03 0.03 -0.55 8.40 8.05 1z7dC1 ASP 103 HA 0.04 0.12 0.45 -0.75 4.63 4.49 1z7dC1 ASP 103 HB2 0.07 -0.06 0.32 -0.04 2.71 3.00 1z7dC1 ASP 103 HB3 0.05 0.07 0.06 -0.04 2.70 2.83 1z7dC1 LYS 104 H 0.08 0.31 0.09 -0.55 8.42 8.34 1z7dC1 LYS 104 HA 0.04 0.22 0.94 -0.75 4.32 4.77 1z7dC1 LYS 104 HB2 0.04 0.03 0.00 -0.04 1.87 1.90 1z7dC1 LYS 104 HB3 0.03 0.06 -0.02 -0.04 1.79 1.82 1z7dC1 LYS 104 HG2 0.04 0.07 -0.04 -0.04 1.46 1.48 1z7dC1 LYS 104 HG3 0.04 -0.11 -0.34 -0.04 1.46 1.00 1z7dC1 LYS 104 HD2 0.04 -0.09 -0.10 -0.04 1.69 1.50 1z7dC1 LYS 104 HD3 0.03 0.05 -0.09 -0.04 1.68 1.64 1z7dC1 LYS 104 HE2 0.04 0.04 -0.05 -0.04 2.99 2.98 1z7dC1 LYS 104 HE3 0.04 0.02 -0.03 -0.04 2.99 2.97 1z7dC1 VAL 105 H 0.02 0.26 0.21 -0.55 8.24 8.18 1z7dC1 VAL 105 HA -0.02 0.33 0.83 -0.75 4.13 4.51 1z7dC1 VAL 105 HB 0.01 0.04 -0.15 -0.04 2.12 1.99 1z7dC1 VAL 105 HG13 0.02 -0.00 -0.04 -0.04 0.97 0.91 1z7dC1 VAL 105 HG23 -0.02 -0.02 -0.21 -0.04 0.95 0.66 1z7dC1 LEU 106 H -0.03 0.60 0.27 -0.55 8.37 8.66 1z7dC1 LEU 106 HA -0.01 0.15 0.76 -0.75 4.35 4.50 1z7dC1 LEU 106 HB2 -0.01 0.08 -0.02 -0.04 1.64 1.64 1z7dC1 LEU 106 HB3 -0.03 -0.08 0.16 -0.04 1.64 1.65 1z7dC1 LEU 106 HG -0.02 -0.08 -0.17 -0.04 1.64 1.33 1z7dC1 LEU 106 HD13 -0.01 0.01 0.01 -0.04 0.93 0.90 1z7dC1 LEU 106 HD23 -0.01 0.01 -0.07 -0.04 0.89 0.79 1z7dC1 MET 107 H -0.01 0.20 0.05 -0.55 8.47 8.17 1z7dC1 MET 107 HA -0.01 0.20 0.73 -0.75 4.52 4.69 1z7dC1 MET 107 HB2 -0.00 -0.02 0.10 -0.04 2.15 2.18 1z7dC1 MET 107 HB3 -0.00 0.03 0.06 -0.04 2.03 2.08 1z7dC1 MET 107 HG2 0.00 -0.02 -0.08 -0.04 2.63 2.49 1z7dC1 MET 107 HG3 -0.00 0.03 -0.03 -0.04 2.56 2.52 1z7dC1 MET 107 HE3 -0.01 0.03 -0.08 -0.04 2.10 2.00 1z7dC1 MET 108 H 0.00 0.78 0.31 -0.55 8.47 9.01 1z7dC1 MET 108 HA 0.01 0.09 0.69 -0.75 4.52 4.56 1z7dC1 MET 108 HB2 -0.02 0.03 -0.18 -0.04 2.15 1.94 1z7dC1 MET 108 HB3 -0.01 -0.28 0.10 -0.04 2.03 1.81 1z7dC1 MET 108 HG2 -0.02 0.10 -0.69 -0.04 2.63 1.98 1z7dC1 MET 108 HG3 -0.03 0.00 -0.28 -0.04 2.56 2.22 1z7dC1 MET 108 HE3 -0.01 -0.05 0.04 -0.04 2.10 2.04 1z7dC1 ASN 109 H 0.02 0.02 0.13 -0.55 8.53 8.15 1z7dC1 ASN 109 HA 0.07 0.41 0.77 -0.75 4.76 5.26 1z7dC1 ASN 109 HB2 0.01 -0.10 0.08 -0.04 2.88 2.83 1z7dC1 ASN 109 HB3 0.02 0.13 0.00 -0.04 2.79 2.91 1z7dC1 ASN 109 HD21 0.10 -0.10 -0.10 -0.04 7.03 6.90 1z7dC1 ASN 109 HD22 0.04 -0.02 0.04 -0.04 7.74 7.77 1z7dC1 THR 110 H -0.00 -0.00 0.13 -0.55 8.28 7.85 1z7dC1 THR 110 HA -0.01 0.31 0.69 -0.75 4.39 4.62 1z7dC1 THR 110 HB -0.02 0.02 0.13 -0.04 4.32 4.41 1z7dC1 THR 110 HG23 -0.02 0.06 -0.05 -0.04 1.22 1.16 1z7dC1 GLY 111 H -0.03 0.25 0.16 -0.55 8.43 8.27 1z7dC1 GLY 111 HA2 -0.04 0.13 0.46 -0.51 4.01 4.05 1z7dC1 GLY 111 HA3 -0.04 0.13 0.32 -0.51 4.01 3.91 1z7dC1 ALA 112 H -0.04 0.09 -0.10 -0.55 8.40 7.81 1z7dC1 ALA 112 HA -0.06 0.14 0.43 -0.75 4.34 4.10 1z7dC1 ALA 112 HB3 -0.02 0.04 0.04 -0.04 1.41 1.43 1z7dC1 GLU 113 H -0.04 0.00 -0.21 -0.55 8.60 7.81 1z7dC1 GLU 113 HA -0.05 0.11 0.51 -0.75 4.29 4.11 1z7dC1 GLU 113 HB2 -0.03 -0.01 0.14 -0.04 2.09 2.15 1z7dC1 GLU 113 HB3 -0.02 0.08 -0.01 -0.04 1.99 1.99 1z7dC1 GLU 113 HG2 -0.01 0.11 0.07 -0.04 2.34 2.47 1z7dC1 GLU 113 HG3 -0.01 -0.01 0.07 -0.04 2.34 2.34 1z7dC1 ALA 114 H -0.06 0.38 -0.21 -0.55 8.40 7.96 1z7dC1 ALA 114 HA -0.08 0.06 0.33 -0.75 4.34 3.89 1z7dC1 ALA 114 HB3 -0.07 0.02 0.03 -0.04 1.41 1.35 1z7dC1 ASN 115 H -0.15 0.52 -0.13 -0.55 8.53 8.22 1z7dC1 ASN 115 HA -0.36 0.03 0.49 -0.75 4.76 4.16 1z7dC1 ASN 115 HB2 -0.21 0.07 0.21 -0.04 2.88 2.91 1z7dC1 ASN 115 HB3 -0.49 0.02 -0.03 -0.04 2.79 2.26 1z7dC1 ASN 115 HD21 -0.04 -0.07 -0.09 -0.04 7.03 6.80 1z7dC1 ASN 115 HD22 -0.05 -0.02 -0.05 -0.04 7.74 7.58 1z7dC1 GLU 116 H -0.24 0.72 0.02 -0.55 8.60 8.54 1z7dC1 GLU 116 HA -0.26 0.04 0.38 -0.75 4.29 3.69 1z7dC1 GLU 116 HB2 -0.07 -0.00 0.18 -0.04 2.09 2.15 1z7dC1 GLU 116 HB3 -0.01 -0.00 0.01 -0.04 1.99 1.95 1z7dC1 GLU 116 HG2 -0.06 0.15 0.06 -0.04 2.34 2.45 1z7dC1 GLU 116 HG3 -0.00 -0.05 -0.02 -0.04 2.34 2.22 1z7dC1 THR 117 H -0.12 0.71 -0.10 -0.55 8.28 8.22 1z7dC1 THR 117 HA -0.02 0.01 0.44 -0.75 4.39 4.07 1z7dC1 THR 117 HB -0.08 0.06 0.09 -0.04 4.32 4.35 1z7dC1 THR 117 HG23 -0.03 -0.00 -0.16 -0.04 1.22 0.98 1z7dC1 ALA 118 H -0.17 0.56 -0.22 -0.55 8.40 8.02 1z7dC1 ALA 118 HA -0.04 0.02 0.45 -0.75 4.34 4.02 1z7dC1 ALA 118 HB3 -0.11 0.01 0.04 -0.04 1.41 1.32 1z7dC1 TYR 119 H -0.16 0.44 -0.26 -0.55 8.29 7.76 1z7dC1 TYR 119 HA 0.01 0.02 0.35 -0.75 4.56 4.19 1z7dC1 TYR 119 HB2 0.01 0.13 0.16 -0.04 3.06 3.32 1z7dC1 TYR 119 HB3 0.02 -0.01 -0.02 -0.04 2.98 2.92 1z7dC1 TYR 119 HD2 0.00 -0.03 -0.09 -0.04 7.15 6.99 1z7dC1 TYR 119 HE2 -0.00 -0.04 -0.09 -0.04 6.85 6.67 1z7dC1 LYS 120 H 0.11 0.52 -0.03 -0.55 8.42 8.46 1z7dC1 LYS 120 HA 0.10 0.03 0.43 -0.75 4.32 4.13 1z7dC1 LYS 120 HB2 0.05 0.07 0.14 -0.04 1.87 2.09 1z7dC1 LYS 120 HB3 0.06 0.00 -0.02 -0.04 1.79 1.79 1z7dC1 LYS 120 HG2 0.08 -0.00 0.03 -0.04 1.46 1.53 1z7dC1 LYS 120 HG3 0.09 0.04 0.05 -0.04 1.46 1.59 1z7dC1 LYS 120 HD2 0.05 -0.04 -0.02 -0.04 1.69 1.63 1z7dC1 LYS 120 HD3 0.04 -0.02 -0.02 -0.04 1.68 1.64 1z7dC1 LYS 120 HE2 0.04 -0.03 -0.01 -0.04 2.99 2.95 1z7dC1 LYS 120 HE3 0.06 0.03 -0.01 -0.04 2.99 3.03 1z7dC1 LEU 121 H 0.05 0.45 -0.28 -0.55 8.37 8.05 1z7dC1 LEU 121 HA 0.08 0.05 0.38 -0.75 4.35 4.11 1z7dC1 LEU 121 HB2 0.03 -0.01 0.04 -0.04 1.64 1.65 1z7dC1 LEU 121 HB3 0.02 0.05 0.13 -0.04 1.64 1.79 1z7dC1 LEU 121 HG 0.02 0.02 -0.36 -0.04 1.64 1.27 1z7dC1 LEU 121 HD13 0.06 -0.00 -0.12 -0.04 0.93 0.83 1z7dC1 LEU 121 HD23 -0.03 -0.03 -0.16 -0.04 0.89 0.62 1z7dC1 CYS 122 H 0.08 0.60 -0.17 -0.55 8.50 8.46 1z7dC1 CYS 122 HA 0.10 0.04 0.42 -0.75 4.58 4.38 1z7dC1 CYS 122 HB2 0.09 0.10 0.08 -0.04 2.97 3.20 1z7dC1 CYS 122 HB3 0.07 -0.04 -0.15 -0.04 2.97 2.81 1z7dC1 ARG 123 H 0.07 0.52 -0.18 -0.55 8.46 8.31 1z7dC1 ARG 123 HA -0.17 0.03 0.46 -0.75 4.34 3.91 1z7dC1 ARG 123 HB2 0.05 0.11 0.16 -0.04 1.90 2.18 1z7dC1 ARG 123 HB3 0.02 -0.04 -0.02 -0.04 1.80 1.72 1z7dC1 ARG 123 HG2 -0.07 -0.02 -0.03 -0.04 1.67 1.51 1z7dC1 ARG 123 HG3 -0.04 -0.05 -0.11 -0.04 1.67 1.43 1z7dC1 ARG 123 HD2 0.05 0.03 -0.11 -0.04 3.22 3.15 1z7dC1 ARG 123 HD3 0.06 -0.04 -0.06 -0.04 3.22 3.14 1z7dC1 LYS 124 H 0.09 0.70 -0.04 -0.55 8.42 8.61 1z7dC1 LYS 124 HA 0.18 -0.02 0.47 -0.75 4.32 4.19 1z7dC1 LYS 124 HB2 0.11 0.15 0.17 -0.04 1.87 2.26 1z7dC1 LYS 124 HB3 0.12 0.05 -0.01 -0.04 1.79 1.90 1z7dC1 LYS 124 HG2 0.09 0.02 0.03 -0.04 1.46 1.56 1z7dC1 LYS 124 HG3 0.11 -0.02 0.08 -0.04 1.46 1.59 1z7dC1 LYS 124 HD2 0.19 -0.07 -0.03 -0.04 1.69 1.73 1z7dC1 LYS 124 HD3 0.11 -0.00 0.03 -0.04 1.68 1.78 1z7dC1 LYS 124 HE2 0.11 0.01 0.02 -0.04 2.99 3.09 1z7dC1 LYS 124 HE3 0.13 -0.05 -0.01 -0.04 2.99 3.02 1z7dC1 TRP 125 H 0.26 0.63 -0.15 -0.55 7.97 8.16 1z7dC1 TRP 125 HA 0.02 0.00 0.46 -0.75 4.62 4.35 1z7dC1 TRP 125 HB2 0.01 0.06 0.16 -0.04 3.23 3.41 1z7dC1 TRP 125 HB3 -0.01 0.10 0.19 -0.04 3.23 3.47 1z7dC1 TRP 125 HD1 0.02 0.08 0.15 -0.04 7.22 7.44 1z7dC1 TRP 125 HE1 0.03 0.00 -0.07 -0.04 10.20 10.12 1z7dC1 TRP 125 HE3 -0.02 0.07 -0.05 -0.04 7.59 7.55 1z7dC1 TRP 125 HZ2 0.02 -0.03 -0.08 -0.04 7.44 7.31 1z7dC1 TRP 125 HZ3 0.01 0.21 0.16 -0.04 7.13 7.47 1z7dC1 TRP 125 HH2 0.02 0.24 -0.03 -0.04 7.19 7.38 1z7dC1 GLY 126 H 0.19 0.63 -0.12 -0.55 8.43 8.59 1z7dC1 GLY 126 HA2 -0.12 0.04 0.41 -0.51 4.01 3.84 1z7dC1 GLY 126 HA3 -0.08 0.04 0.35 -0.51 4.01 3.80 1z7dC1 TYR 127 H -0.16 0.40 -0.31 -0.55 8.29 7.67 1z7dC1 TYR 127 HA -0.06 0.09 0.76 -0.75 4.56 4.60 1z7dC1 TYR 127 HB2 -0.01 0.06 0.21 -0.04 3.06 3.27 1z7dC1 TYR 127 HB3 -0.03 -0.04 0.04 -0.04 2.98 2.91 1z7dC1 TYR 127 HD2 0.01 0.15 -0.07 -0.04 7.15 7.19 1z7dC1 TYR 127 HE2 0.02 0.02 -0.09 -0.04 6.85 6.76 1z7dC1 GLU 128 H 0.02 0.72 0.21 -0.55 8.60 9.00 1z7dC1 GLU 128 HA -0.03 -0.02 0.34 -0.75 4.29 3.83 1z7dC1 GLU 128 HB2 -0.01 0.18 0.17 -0.04 2.09 2.39 1z7dC1 GLU 128 HB3 -0.07 -0.01 -0.02 -0.04 1.99 1.85 1z7dC1 GLU 128 HG2 0.02 -0.01 0.02 -0.04 2.34 2.33 1z7dC1 GLU 128 HG3 -0.00 -0.03 0.06 -0.04 2.34 2.33 1z7dC1 VAL 129 H -0.51 0.66 -0.03 -0.55 8.24 7.82 1z7dC1 VAL 129 HA -0.28 0.14 0.83 -0.75 4.13 4.07 1z7dC1 VAL 129 HB -1.84 0.04 0.13 -0.04 2.12 0.41 1z7dC1 VAL 129 HG13 -0.19 -0.01 -0.08 -0.04 0.97 0.64 1z7dC1 VAL 129 HG23 -0.19 -0.00 -0.03 -0.04 0.95 0.69 1z7dC1 LYS 130 H -1.03 0.23 0.09 -0.55 8.42 7.15 1z7dC1 LYS 130 HA -0.32 0.03 0.42 -0.75 4.32 3.70 1z7dC1 LYS 130 HB2 -0.76 -0.07 0.14 -0.04 1.87 1.15 1z7dC1 LYS 130 HB3 -0.29 0.08 0.18 -0.04 1.79 1.72 1z7dC1 LYS 130 HG2 -0.03 0.01 -0.05 -0.04 1.46 1.36 1z7dC1 LYS 130 HG3 -0.04 -0.07 0.14 -0.04 1.46 1.45 1z7dC1 LYS 130 HD2 0.31 0.18 0.20 -0.04 1.69 2.34 1z7dC1 LYS 130 HD3 0.21 -0.10 0.11 -0.04 1.68 1.86 1z7dC1 LYS 130 HE2 0.09 0.21 0.10 -0.04 2.99 3.35 1z7dC1 LYS 130 HE3 0.09 -0.18 0.08 -0.04 2.99 2.94 1z7dC1 LYS 131 H -0.20 0.06 -0.53 -0.55 8.42 7.19 1z7dC1 LYS 131 HA -0.02 0.19 0.32 -0.75 4.32 4.05 1z7dC1 LYS 131 HB2 -0.05 0.13 0.08 -0.04 1.87 1.99 1z7dC1 LYS 131 HB3 -0.03 -0.15 0.11 -0.04 1.79 1.69 1z7dC1 LYS 131 HG2 -0.11 0.19 -0.36 -0.04 1.46 1.14 1z7dC1 LYS 131 HG3 -0.06 -0.12 -0.07 -0.04 1.46 1.17 1z7dC1 LYS 131 HD2 -0.03 -0.16 -0.01 -0.04 1.69 1.45 1z7dC1 LYS 131 HD3 -0.04 0.21 -0.00 -0.04 1.68 1.81 1z7dC1 LYS 131 HE2 -0.08 0.27 0.06 -0.04 2.99 3.20 1z7dC1 LYS 131 HE3 -0.04 -0.14 0.02 -0.04 2.99 2.78 1z7dC1 ILE 132 H 0.04 0.47 0.17 -0.55 8.25 8.38 1z7dC1 ILE 132 HA 0.05 0.14 0.62 -0.75 4.18 4.25 1z7dC1 ILE 132 HB 0.06 -0.10 -0.12 -0.04 1.89 1.69 1z7dC1 ILE 132 HG12 0.04 0.04 -0.04 -0.04 1.49 1.49 1z7dC1 ILE 132 HG13 -0.00 0.06 -0.18 -0.04 1.21 1.05 1z7dC1 ILE 132 HG23 0.15 0.01 -0.19 -0.04 0.93 0.86 1z7dC1 ILE 132 HD13 -0.00 0.02 -0.18 -0.04 0.88 0.68 1z7dC1 PRO 133 HA 0.01 0.02 0.46 -0.51 4.44 4.43 1z7dC1 PRO 133 HB2 0.02 0.06 -0.05 -0.04 2.28 2.27 1z7dC1 PRO 133 HB3 0.01 0.01 0.09 -0.04 2.02 2.09 1z7dC1 PRO 133 HG2 0.05 -0.01 0.03 -0.04 2.03 2.06 1z7dC1 PRO 133 HG3 0.03 0.02 0.05 -0.04 2.03 2.09 1z7dC1 PRO 133 HD2 0.06 0.10 0.17 -0.04 3.68 3.97 1z7dC1 PRO 133 HD3 0.03 0.22 0.14 -0.04 3.65 4.00 1z7dC1 GLU 134 H -0.07 0.07 0.14 -0.55 8.60 8.19 1z7dC1 GLU 134 HA -0.48 0.04 0.31 -0.75 4.29 3.40 1z7dC1 GLU 134 HB2 -0.11 -0.01 0.14 -0.04 2.09 2.07 1z7dC1 GLU 134 HB3 -0.17 -0.00 0.00 -0.04 1.99 1.78 1z7dC1 GLU 134 HG2 -0.22 0.06 0.08 -0.04 2.34 2.22 1z7dC1 GLU 134 HG3 -0.16 -0.01 0.04 -0.04 2.34 2.17 1z7dC1 ASN 135 H -0.22 0.10 0.16 -0.55 8.53 8.03 1z7dC1 ASN 135 HA 0.09 -0.02 0.33 -0.75 4.76 4.40 1z7dC1 ASN 135 HB2 0.00 0.24 0.04 -0.04 2.88 3.12 1z7dC1 ASN 135 HB3 0.03 -0.01 0.19 -0.04 2.79 2.95 1z7dC1 ASN 135 HD21 -0.01 -0.03 -0.01 -0.04 7.03 6.95 1z7dC1 ASN 135 HD22 0.01 0.01 0.02 -0.04 7.74 7.74 1z7dC1 MET 136 H 0.27 0.18 -0.19 -0.55 8.47 8.18 1z7dC1 MET 136 HA 0.08 0.17 0.73 -0.75 4.52 4.74 1z7dC1 MET 136 HB2 0.13 0.29 -0.06 -0.04 2.15 2.48 1z7dC1 MET 136 HB3 0.07 -0.09 0.01 -0.04 2.03 1.98 1z7dC1 MET 136 HG2 0.05 0.20 -0.40 -0.04 2.63 2.44 1z7dC1 MET 136 HG3 0.04 -0.08 -0.14 -0.04 2.56 2.35 1z7dC1 MET 136 HE3 0.03 0.01 -0.13 -0.04 2.10 1.96 1z7dC1 ALA 137 H 0.28 -0.08 -0.01 -0.55 8.40 8.03 1z7dC1 ALA 137 HA -0.02 0.38 0.45 -0.75 4.34 4.40 1z7dC1 ALA 137 HB3 -0.38 -0.03 0.06 -0.04 1.41 1.02 1z7dC1 LYS 138 H 0.01 0.53 0.41 -0.55 8.42 8.81 1z7dC1 LYS 138 HA 0.00 0.12 0.84 -0.75 4.32 4.53 1z7dC1 LYS 138 HB2 0.02 0.16 -0.10 -0.04 1.87 1.91 1z7dC1 LYS 138 HB3 0.02 -0.06 -0.07 -0.04 1.79 1.63 1z7dC1 LYS 138 HG2 0.00 -0.00 -0.09 -0.04 1.46 1.33 1z7dC1 LYS 138 HG3 0.00 0.01 -0.03 -0.04 1.46 1.40 1z7dC1 LYS 138 HD2 0.00 0.01 -0.13 -0.04 1.69 1.53 1z7dC1 LYS 138 HD3 0.00 -0.04 -0.08 -0.04 1.68 1.52 1z7dC1 LYS 138 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.89 1z7dC1 LYS 138 HE3 0.01 0.03 -0.07 -0.04 2.99 2.92 1z7dC1 ILE 139 H -0.02 0.20 0.14 -0.55 8.25 8.02 1z7dC1 ILE 139 HA 0.04 0.21 1.05 -0.75 4.18 4.72 1z7dC1 ILE 139 HB -0.12 -0.03 0.08 -0.04 1.89 1.79 1z7dC1 ILE 139 HG12 0.04 0.01 -0.07 -0.04 1.49 1.43 1z7dC1 ILE 139 HG13 -0.01 -0.01 -0.32 -0.04 1.21 0.84 1z7dC1 ILE 139 HG23 -0.00 -0.02 -0.24 -0.04 0.93 0.62 1z7dC1 ILE 139 HD13 0.03 0.00 -0.04 -0.04 0.88 0.83 1z7dC1 VAL 140 H 0.12 0.72 0.32 -0.55 8.24 8.86 1z7dC1 VAL 140 HA 0.09 0.11 0.83 -0.75 4.13 4.40 1z7dC1 VAL 140 HB 0.25 -0.04 0.15 -0.04 2.12 2.43 1z7dC1 VAL 140 HG13 0.03 0.00 -0.03 -0.04 0.97 0.93 1z7dC1 VAL 140 HG23 0.01 0.03 -0.09 -0.04 0.95 0.86 1z7dC1 VAL 141 H 0.14 0.30 0.26 -0.55 8.24 8.39 1z7dC1 VAL 141 HA 0.15 0.25 0.82 -0.75 4.13 4.59 1z7dC1 VAL 141 HB 0.04 0.02 -0.26 -0.04 2.12 1.88 1z7dC1 VAL 141 HG13 0.05 0.03 -0.11 -0.04 0.97 0.90 1z7dC1 VAL 141 HG23 0.06 -0.03 0.05 -0.04 0.95 0.98 1z7dC1 CYS 142 H 0.14 0.12 0.09 -0.55 8.50 8.30 1z7dC1 CYS 142 HA 0.20 0.32 0.89 -0.75 4.58 5.23 1z7dC1 CYS 142 HB2 0.19 -0.09 -0.02 -0.04 2.97 3.01 1z7dC1 CYS 142 HB3 0.29 0.11 -2.78 -0.04 2.97 0.56 1z7dC1 TYR 178 HA 0.08 -0.09 0.17 -0.75 4.56 3.97 1z7dC1 TYR 178 HB2 0.04 -0.06 0.28 -0.04 3.06 3.27 1z7dC1 TYR 178 HB3 -0.02 0.06 0.02 -0.04 2.98 2.99 1z7dC1 TYR 178 HD2 0.05 0.02 -0.12 -0.04 7.15 7.05 1z7dC1 TYR 178 HE2 0.09 0.11 -0.14 -0.04 6.85 6.87 1z7dC1 ASP 179 H -1.40 0.10 0.02 -0.55 8.40 6.56 1z7dC1 ASP 179 HA -2.52 -0.05 0.27 -0.75 4.63 1.58 1z7dC1 ASP 179 HB2 -0.78 0.00 -0.10 -0.04 2.71 1.79 1z7dC1 ASP 179 HB3 -0.35 0.20 0.07 -0.04 2.70 2.57 1z7dC1 ASP 180 H -0.18 0.12 -0.40 -0.55 8.40 7.39 1z7dC1 ASP 180 HA -0.08 0.13 0.86 -0.75 4.63 4.79 1z7dC1 ASP 180 HB2 -0.07 0.24 -0.18 -0.04 2.71 2.66 1z7dC1 ASP 180 HB3 -0.04 0.07 -0.02 -0.04 2.70 2.67 1z7dC1 LEU 181 H 0.03 0.24 0.02 -0.55 8.37 8.11 1z7dC1 LEU 181 HA 0.00 0.12 0.38 -0.75 4.35 4.10 1z7dC1 LEU 181 HB2 0.01 -0.00 0.05 -0.04 1.64 1.65 1z7dC1 LEU 181 HB3 -0.02 0.10 -0.02 -0.04 1.64 1.66 1z7dC1 LEU 181 HG 0.01 0.06 -0.05 -0.04 1.64 1.62 1z7dC1 LEU 181 HD13 -0.07 0.07 -0.21 -0.04 0.93 0.68 1z7dC1 LEU 181 HD23 0.17 -0.03 -0.11 -0.04 0.89 0.88 1z7dC1 GLU 182 H -0.02 0.07 -0.15 -0.55 8.60 7.96 1z7dC1 GLU 182 HA -0.03 0.15 0.43 -0.75 4.29 4.08 1z7dC1 GLU 182 HB2 -0.03 -0.06 0.10 -0.04 2.09 2.06 1z7dC1 GLU 182 HB3 -0.03 0.09 -0.05 -0.04 1.99 1.96 1z7dC1 GLU 182 HG2 -0.02 0.06 0.01 -0.04 2.34 2.35 1z7dC1 GLU 182 HG3 -0.02 0.05 0.02 -0.04 2.34 2.35 1z7dC1 ALA 183 H -0.04 0.11 -0.12 -0.55 8.40 7.81 1z7dC1 ALA 183 HA -0.05 0.10 0.36 -0.75 4.34 3.99 1z7dC1 ALA 183 HB3 -0.03 0.04 0.04 -0.04 1.41 1.41 1z7dC1 LEU 184 H -0.08 0.21 -0.50 -0.55 8.37 7.46 1z7dC1 LEU 184 HA -0.23 0.07 0.50 -0.75 4.35 3.94 1z7dC1 LEU 184 HB2 -0.12 0.24 0.12 -0.04 1.64 1.83 1z7dC1 LEU 184 HB3 -0.20 0.09 0.01 -0.04 1.64 1.49 1z7dC1 LEU 184 HG -0.46 -0.06 -0.10 -0.04 1.64 0.98 1z7dC1 LEU 184 HD13 -0.39 -0.01 -0.13 -0.04 0.93 0.36 1z7dC1 LEU 184 HD23 -1.09 0.01 -0.09 -0.04 0.89 -0.32 1z7dC1 GLU 185 H -0.13 0.51 -0.10 -0.55 8.60 8.33 1z7dC1 GLU 185 HA -0.29 0.08 0.34 -0.75 4.29 3.67 1z7dC1 GLU 185 HB2 -0.08 0.06 0.15 -0.04 2.09 2.18 1z7dC1 GLU 185 HB3 -0.08 0.05 0.08 -0.04 1.99 1.99 1z7dC1 GLU 185 HG2 -0.09 0.02 -0.02 -0.04 2.34 2.20 1z7dC1 GLU 185 HG3 -0.01 0.02 0.02 -0.04 2.34 2.33 1z7dC1 GLU 186 H -0.12 0.26 -0.34 -0.55 8.60 7.85 1z7dC1 GLU 186 HA -0.10 0.09 0.53 -0.75 4.29 4.05 1z7dC1 GLU 186 HB2 -0.06 0.02 0.06 -0.04 2.09 2.07 1z7dC1 GLU 186 HB3 -0.07 0.07 0.06 -0.04 1.99 2.01 1z7dC1 GLU 186 HG2 -0.04 -0.05 -0.02 -0.04 2.34 2.19 1z7dC1 GLU 186 HG3 -0.05 0.02 -0.11 -0.04 2.34 2.16 1z7dC1 GLU 187 H -0.14 0.33 -0.23 -0.55 8.60 8.02 1z7dC1 GLU 187 HA -0.08 0.06 0.62 -0.75 4.29 4.14 1z7dC1 GLU 187 HB2 -0.13 0.07 0.11 -0.04 2.09 2.10 1z7dC1 GLU 187 HB3 -0.07 -0.05 0.08 -0.04 1.99 1.91 1z7dC1 GLU 187 HG2 -0.08 0.23 0.15 -0.04 2.34 2.60 1z7dC1 GLU 187 HG3 -0.06 -0.06 0.06 -0.04 2.34 2.24 1z7dC1 LEU 188 H -0.25 0.44 -0.11 -0.55 8.37 7.90 1z7dC1 LEU 188 HA -0.16 0.10 0.46 -0.75 4.35 4.00 1z7dC1 LEU 188 HB2 -0.39 -0.04 0.00 -0.04 1.64 1.18 1z7dC1 LEU 188 HB3 -0.30 0.09 0.01 -0.04 1.64 1.40 1z7dC1 LEU 188 HG -0.31 0.04 -0.08 -0.04 1.64 1.25 1z7dC1 LEU 188 HD13 -0.18 -0.03 -0.25 -0.04 0.93 0.43 1z7dC1 LEU 188 HD23 -0.08 -0.00 -0.17 -0.04 0.89 0.60 1z7dC1 LYS 189 H -0.30 0.10 -0.68 -0.55 8.42 6.98 1z7dC1 LYS 189 HA -0.35 0.08 0.52 -0.75 4.32 3.81 1z7dC1 LYS 189 HB2 -0.13 0.15 0.08 -0.04 1.87 1.93 1z7dC1 LYS 189 HB3 -0.03 -0.08 -0.04 -0.04 1.79 1.60 1z7dC1 LYS 189 HG2 0.13 -0.05 0.04 -0.04 1.46 1.54 1z7dC1 LYS 189 HG3 -0.33 0.17 0.05 -0.04 1.46 1.30 1z7dC1 LYS 189 HD2 -0.06 -0.00 0.06 -0.04 1.69 1.65 1z7dC1 LYS 189 HD3 0.01 -0.06 0.01 -0.04 1.68 1.60 1z7dC1 LYS 189 HE2 0.10 -0.03 -0.02 -0.04 2.99 3.00 1z7dC1 LYS 189 HE3 0.02 0.04 -0.08 -0.04 2.99 2.93 1z7dC1 ASP 190 H -0.08 0.18 -0.25 -0.55 8.40 7.70 1z7dC1 ASP 190 HA 0.00 0.02 0.46 -0.75 4.63 4.36 1z7dC1 ASP 190 HB2 -0.03 -0.00 0.14 -0.04 2.71 2.78 1z7dC1 ASP 190 HB3 -0.02 0.09 0.14 -0.04 2.70 2.87 1z7dC1 PRO 191 HA 0.07 0.27 0.57 -0.51 4.44 4.84 1z7dC1 PRO 191 HB2 0.04 0.04 0.00 -0.04 2.28 2.32 1z7dC1 PRO 191 HB3 0.05 0.06 0.15 -0.04 2.02 2.23 1z7dC1 PRO 191 HG2 0.03 -0.06 0.10 -0.04 2.03 2.06 1z7dC1 PRO 191 HG3 0.03 0.01 0.11 -0.04 2.03 2.13 1z7dC1 PRO 191 HD2 0.02 -0.05 0.28 -0.04 3.68 3.89 1z7dC1 PRO 191 HD3 0.04 0.28 0.27 -0.04 3.65 4.19 1z7dC1 ASN 192 H 0.03 0.02 -0.18 -0.55 8.53 7.86 1z7dC1 ASN 192 HA 0.04 0.09 0.40 -0.75 4.76 4.54 1z7dC1 ASN 192 HB2 0.02 -0.06 0.01 -0.04 2.88 2.81 1z7dC1 ASN 192 HB3 0.04 0.24 0.02 -0.04 2.79 3.05 1z7dC1 ASN 192 HD21 0.03 -0.04 0.00 -0.04 7.03 6.98 1z7dC1 ASN 192 HD22 0.03 0.00 0.01 -0.04 7.74 7.74 1z7dC1 VAL 193 H 0.03 0.29 -0.57 -0.55 8.24 7.45 1z7dC1 VAL 193 HA 0.03 -0.04 0.65 -0.75 4.13 4.01 1z7dC1 VAL 193 HB 0.02 0.33 0.09 -0.04 2.12 2.52 1z7dC1 VAL 193 HG13 0.04 -0.04 -0.20 -0.04 0.97 0.72 1z7dC1 VAL 193 HG23 -0.01 -0.04 -0.03 -0.04 0.95 0.83 1z7dC1 CYS 194 H 0.05 0.36 0.41 -0.55 8.50 8.78 1z7dC1 CYS 194 HA 0.26 0.29 0.83 -0.75 4.58 5.20 1z7dC1 CYS 194 HB2 0.26 0.05 0.13 -0.04 2.97 3.37 1z7dC1 CYS 194 HB3 0.03 -0.00 0.11 -0.04 2.97 3.06 1z7dC1 ALA 195 H 0.08 0.31 0.24 -0.55 8.40 8.49 1z7dC1 ALA 195 HA 0.06 0.04 0.77 -0.75 4.34 4.46 1z7dC1 ALA 195 HB3 0.03 0.00 -0.08 -0.04 1.41 1.33 1z7dC1 PHE 196 H 0.18 0.93 0.32 -0.55 8.34 9.21 1z7dC1 PHE 196 HA 0.04 0.23 0.83 -0.75 4.62 4.97 1z7dC1 PHE 196 HB2 0.00 0.06 -0.04 -0.04 3.15 3.13 1z7dC1 PHE 196 HB3 0.04 -0.01 0.07 -0.04 3.06 3.12 1z7dC1 PHE 196 HD2 -0.02 0.06 -0.18 -0.04 7.28 7.09 1z7dC1 PHE 196 HE2 -0.01 -0.06 -0.29 -0.04 7.38 6.98 1z7dC1 PHE 196 HZ 0.16 -0.10 -0.21 -0.04 7.32 7.13 1z7dC1 ILE 197 H -0.09 0.69 0.24 -0.55 8.25 8.54 1z7dC1 ILE 197 HA -0.19 0.38 1.15 -0.75 4.18 4.76 1z7dC1 ILE 197 HB 0.00 -0.00 -0.08 -0.04 1.89 1.77 1z7dC1 ILE 197 HG12 -0.03 -0.08 -0.30 -0.04 1.49 1.04 1z7dC1 ILE 197 HG13 -0.07 0.03 -0.11 -0.04 1.21 1.03 1z7dC1 ILE 197 HG23 0.08 0.00 -0.01 -0.04 0.93 0.96 1z7dC1 ILE 197 HD13 0.05 -0.02 -0.11 -0.04 0.88 0.76 1z7dC1 VAL 198 H -0.18 0.72 0.36 -0.55 8.24 8.60 1z7dC1 VAL 198 HA -0.06 0.05 0.73 -0.75 4.13 4.09 1z7dC1 VAL 198 HB -0.69 0.06 -0.35 -0.04 2.12 1.11 1z7dC1 VAL 198 HG13 0.18 0.00 -0.25 -0.04 0.97 0.86 1z7dC1 VAL 198 HG23 0.42 0.03 -0.04 -0.04 0.95 1.32 1z7dC1 GLU 199 H 0.08 0.13 0.12 -0.55 8.60 8.37 1z7dC1 GLU 199 HA 0.04 0.28 0.93 -0.75 4.29 4.79 1z7dC1 GLU 199 HB2 0.01 -0.06 0.03 -0.04 2.09 2.03 1z7dC1 GLU 199 HB3 0.05 0.14 -0.21 -0.04 1.99 1.93 1z7dC1 GLU 199 HG2 0.01 0.18 0.16 -0.04 2.34 2.65 1z7dC1 GLU 199 HG3 -0.00 -0.03 0.05 -0.04 2.34 2.32 1z7dC1 PRO 200 HA 0.25 0.09 0.38 -0.51 4.44 4.65 1z7dC1 PRO 200 HB2 0.17 0.03 -0.06 -0.04 2.28 2.37 1z7dC1 PRO 200 HB3 0.23 0.06 -0.06 -0.04 2.02 2.21 1z7dC1 PRO 200 HG2 0.08 -0.11 -0.02 -0.04 2.03 1.93 1z7dC1 PRO 200 HG3 0.10 0.07 -0.03 -0.04 2.03 2.13 1z7dC1 PRO 200 HD2 0.07 0.03 0.24 -0.04 3.68 3.97 1z7dC1 PRO 200 HD3 0.04 0.21 0.20 -0.04 3.65 4.06 1z7dC1 ILE 201 H 0.12 0.10 -0.22 -0.55 8.25 7.69 1z7dC1 ILE 201 HA 0.20 0.30 0.52 -0.75 4.18 4.45 1z7dC1 ILE 201 HB 0.08 -0.13 -0.05 -0.04 1.89 1.76 1z7dC1 ILE 201 HG12 0.14 0.11 -0.02 -0.04 1.49 1.68 1z7dC1 ILE 201 HG13 0.16 -0.13 -0.46 -0.04 1.21 0.73 1z7dC1 ILE 201 HG23 0.06 0.04 -0.56 -0.04 0.93 0.43 1z7dC1 ILE 201 HD13 0.07 0.01 -0.08 -0.04 0.88 0.83 1z7dC1 GLN 202 H -0.10 0.49 0.05 -0.55 8.47 8.37 1z7dC1 GLN 202 HA -0.12 -0.05 0.47 -0.75 4.36 3.91 1z7dC1 GLN 202 HB2 -0.31 0.06 0.14 -0.04 2.15 2.00 1z7dC1 GLN 202 HB3 -0.21 -0.13 -0.02 -0.04 2.02 1.61 1z7dC1 GLN 202 HG2 -0.54 -0.06 0.04 -0.04 2.40 1.79 1z7dC1 GLN 202 HG3 -1.91 0.11 0.03 -0.04 2.39 0.58 1z7dC1 GLN 202 HE21 -0.12 0.05 0.15 -0.04 6.97 7.02 1z7dC1 GLN 202 HE22 -0.25 -0.06 0.06 -0.04 7.69 7.40 1z7dC1 GLY 203 H -0.02 0.12 0.23 -0.55 8.43 8.21 1z7dC1 GLY 203 HA2 0.03 0.17 0.33 -0.51 4.01 4.03 1z7dC1 GLY 203 HA3 0.02 0.06 0.34 -0.51 4.01 3.93 1z7dC1 GLU 204 H 0.00 0.09 0.08 -0.55 8.60 8.23 1z7dC1 GLU 204 HA 0.03 0.15 0.30 -0.75 4.29 4.02 1z7dC1 GLU 204 HB2 0.01 -0.00 0.05 -0.04 2.09 2.10 1z7dC1 GLU 204 HB3 0.00 0.08 0.06 -0.04 1.99 2.10 1z7dC1 GLU 204 HG2 -0.04 0.04 0.02 -0.04 2.34 2.33 1z7dC1 GLU 204 HG3 -0.04 0.06 0.01 -0.04 2.34 2.33 1z7dC1 ALA 205 H 0.00 -0.04 -0.48 -0.55 8.40 7.34 1z7dC1 ALA 205 HA 0.14 0.14 0.50 -0.75 4.34 4.37 1z7dC1 ALA 205 HB3 -0.06 0.01 -0.04 -0.04 1.41 1.29 1z7dC1 GLY 206 H 0.06 0.22 -0.56 -0.55 8.43 7.60 1z7dC1 GLY 206 HA2 0.07 -0.00 0.13 -0.51 4.01 3.70 1z7dC1 GLY 206 HA3 0.08 0.15 0.63 -0.51 4.01 4.36 1z7dC1 VAL 207 H 0.03 0.29 0.12 -0.55 8.24 8.13 1z7dC1 VAL 207 HA 0.03 0.01 0.13 -0.75 4.13 3.55 1z7dC1 VAL 207 HB 0.03 0.13 -0.22 -0.04 2.12 2.02 1z7dC1 VAL 207 HG13 0.04 -0.02 -0.25 -0.04 0.97 0.70 1z7dC1 VAL 207 HG23 0.05 -0.01 -0.25 -0.04 0.95 0.70 1z7dC1 ILE 208 H -0.02 0.28 -0.13 -0.55 8.25 7.84 1z7dC1 ILE 208 HA 0.03 0.18 0.50 -0.75 4.18 4.14 1z7dC1 ILE 208 HB -0.13 -0.20 0.05 -0.04 1.89 1.57 1z7dC1 ILE 208 HG12 -0.02 -0.11 -0.50 -0.04 1.49 0.81 1z7dC1 ILE 208 HG13 -0.04 -0.03 -0.15 -0.04 1.21 0.94 1z7dC1 ILE 208 HG23 0.14 0.01 -0.23 -0.04 0.93 0.81 1z7dC1 ILE 208 HD13 0.01 0.07 -0.23 -0.04 0.88 0.69 1z7dC1 VAL 209 H 0.06 0.25 0.10 -0.55 8.24 8.10 1z7dC1 VAL 209 HA 0.13 0.09 0.65 -0.75 4.13 4.25 1z7dC1 VAL 209 HB 0.05 -0.01 0.10 -0.04 2.12 2.22 1z7dC1 VAL 209 HG13 0.09 0.05 -0.09 -0.04 0.97 0.98 1z7dC1 VAL 209 HG23 0.05 0.03 -0.17 -0.04 0.95 0.82 1z7dC1 PRO 210 HA -0.05 0.07 0.40 -0.51 4.44 4.35 1z7dC1 PRO 210 HB2 -0.00 -0.04 0.10 -0.04 2.28 2.29 1z7dC1 PRO 210 HB3 -0.16 -0.05 0.08 -0.04 2.02 1.86 1z7dC1 PRO 210 HG2 0.11 -0.00 0.00 -0.04 2.03 2.10 1z7dC1 PRO 210 HG3 0.26 0.19 0.15 -0.04 2.03 2.60 1z7dC1 PRO 210 HD2 0.18 0.05 0.24 -0.04 3.68 4.11 1z7dC1 PRO 210 HD3 0.28 0.15 0.37 -0.04 3.65 4.40 1z7dC1 SER 211 H -0.14 0.06 0.18 -0.55 8.46 8.02 1z7dC1 SER 211 HA -0.01 0.17 0.58 -0.75 4.49 4.47 1z7dC1 SER 211 HB2 -0.05 0.15 0.16 -0.04 3.95 4.17 1z7dC1 SER 211 HB3 -0.07 -0.02 0.18 -0.04 3.93 3.98 1z7dC1 ASP 212 H 0.02 0.20 0.19 -0.55 8.40 8.27 1z7dC1 ASP 212 HA -0.06 0.15 0.38 -0.75 4.63 4.34 1z7dC1 ASP 212 HB2 0.07 -0.01 0.05 -0.04 2.71 2.77 1z7dC1 ASP 212 HB3 0.20 0.07 0.10 -0.04 2.70 3.02 1z7dC1 ASN 213 H -0.01 0.04 -0.23 -0.55 8.53 7.78 1z7dC1 ASN 213 HA -0.02 0.22 0.67 -0.75 4.76 4.87 1z7dC1 ASN 213 HB2 0.00 -0.02 0.01 -0.04 2.88 2.83 1z7dC1 ASN 213 HB3 -0.00 0.02 0.04 -0.04 2.79 2.80 1z7dC1 ASN 213 HD21 0.01 0.04 -0.01 -0.04 7.03 7.03 1z7dC1 ASN 213 HD22 0.01 -0.00 0.00 -0.04 7.74 7.71 1z7dC1 TYR 214 H -0.01 0.41 -0.45 -0.55 8.29 7.69 1z7dC1 TYR 214 HA -0.11 0.03 0.16 -0.75 4.56 3.88 1z7dC1 TYR 214 HB2 -0.15 -0.08 0.10 -0.04 3.06 2.89 1z7dC1 TYR 214 HB3 -0.19 0.19 0.11 -0.04 2.98 3.04 1z7dC1 TYR 214 HD2 -0.15 0.06 -0.10 -0.04 7.15 6.92 1z7dC1 TYR 214 HE2 -0.19 0.05 -0.22 -0.04 6.85 6.45 1z7dC1 LEU 215 H -0.23 0.27 -0.08 -0.55 8.37 7.78 1z7dC1 LEU 215 HA -0.35 0.04 0.33 -0.75 4.35 3.62 1z7dC1 LEU 215 HB2 -0.16 0.07 0.05 -0.04 1.64 1.56 1z7dC1 LEU 215 HB3 0.12 0.03 -0.07 -0.04 1.64 1.68 1z7dC1 LEU 215 HG -0.00 0.03 0.00 -0.04 1.64 1.63 1z7dC1 LEU 215 HD13 0.28 0.01 -0.05 -0.04 0.93 1.12 1z7dC1 LEU 215 HD23 0.19 -0.01 -0.12 -0.04 0.89 0.92 1z7dC1 GLN 216 H -0.11 0.19 -0.22 -0.55 8.47 7.79 1z7dC1 GLN 216 HA 0.01 0.08 0.45 -0.75 4.36 4.15 1z7dC1 GLN 216 HB2 -0.02 0.02 0.06 -0.04 2.15 2.16 1z7dC1 GLN 216 HB3 0.00 0.02 -0.06 -0.04 2.02 1.94 1z7dC1 GLN 216 HG2 0.04 0.08 0.02 -0.04 2.40 2.50 1z7dC1 GLN 216 HG3 0.03 0.03 0.03 -0.04 2.39 2.44 1z7dC1 GLN 216 HE21 -0.08 -0.02 0.03 -0.04 6.97 6.86 1z7dC1 GLN 216 HE22 -0.01 0.20 -0.01 -0.04 7.69 7.83 1z7dC1 GLY 217 H -0.10 0.42 -0.29 -0.55 8.43 7.92 1z7dC1 GLY 217 HA2 -0.04 0.04 0.48 -0.51 4.01 3.98 1z7dC1 GLY 217 HA3 -0.08 0.04 0.27 -0.51 4.01 3.73 1z7dC1 VAL 218 H -0.31 0.35 -0.21 -0.55 8.24 7.53 1z7dC1 VAL 218 HA -0.31 0.03 0.45 -0.75 4.13 3.55 1z7dC1 VAL 218 HB -0.63 0.15 0.13 -0.04 2.12 1.73 1z7dC1 VAL 218 HG13 -0.51 -0.01 -0.20 -0.04 0.97 0.21 1z7dC1 VAL 218 HG23 -0.75 0.08 -0.12 -0.04 0.95 0.11 1z7dC1 TYR 219 H -0.17 0.60 -0.07 -0.55 8.29 8.10 1z7dC1 TYR 219 HA -0.25 0.00 0.38 -0.75 4.56 3.93 1z7dC1 TYR 219 HB2 0.02 -0.05 0.03 -0.04 3.06 3.02 1z7dC1 TYR 219 HB3 -0.05 0.16 0.12 -0.04 2.98 3.17 1z7dC1 TYR 219 HD2 0.16 0.00 -0.14 -0.04 7.15 7.13 1z7dC1 TYR 219 HE2 0.06 0.10 0.03 -0.04 6.85 7.00 1z7dC1 ASP 220 H -0.00 0.31 -0.38 -0.55 8.40 7.78 1z7dC1 ASP 220 HA -0.07 0.07 0.59 -0.75 4.63 4.47 1z7dC1 ASP 220 HB2 -0.01 0.05 0.16 -0.04 2.71 2.87 1z7dC1 ASP 220 HB3 -0.00 -0.02 0.01 -0.04 2.70 2.65 1z7dC1 ILE 221 H -0.08 0.47 -0.09 -0.55 8.25 8.00 1z7dC1 ILE 221 HA 0.10 0.04 0.33 -0.75 4.18 3.89 1z7dC1 ILE 221 HB -0.13 0.04 0.05 -0.04 1.89 1.80 1z7dC1 ILE 221 HG12 0.00 -0.02 0.02 -0.04 1.49 1.45 1z7dC1 ILE 221 HG13 -0.05 0.09 0.12 -0.04 1.21 1.34 1z7dC1 ILE 221 HG23 -0.08 -0.00 -0.12 -0.04 0.93 0.68 1z7dC1 ILE 221 HD13 -0.11 -0.05 -0.02 -0.04 0.88 0.66 1z7dC1 CYS 222 H -0.14 0.37 -0.41 -0.55 8.50 7.77 1z7dC1 CYS 222 HA 0.01 0.08 0.45 -0.75 4.58 4.36 1z7dC1 CYS 222 HB2 -0.15 -0.01 0.08 -0.04 2.97 2.84 1z7dC1 CYS 222 HB3 -0.01 0.19 -0.10 -0.04 2.97 3.00 1z7dC1 LYS 223 H -0.26 0.51 -0.07 -0.55 8.42 8.05 1z7dC1 LYS 223 HA -0.15 0.00 0.44 -0.75 4.32 3.85 1z7dC1 LYS 223 HB2 -0.52 0.31 0.31 -0.04 1.87 1.92 1z7dC1 LYS 223 HB3 -0.17 0.01 0.15 -0.04 1.79 1.74 1z7dC1 LYS 223 HG2 -0.11 -0.01 0.05 -0.04 1.46 1.34 1z7dC1 LYS 223 HG3 -0.33 -0.04 0.08 -0.04 1.46 1.12 1z7dC1 LYS 223 HD2 -0.08 -0.00 0.02 -0.04 1.69 1.59 1z7dC1 LYS 223 HD3 -0.04 -0.01 -0.01 -0.04 1.68 1.58 1z7dC1 LYS 223 HE2 0.17 -0.00 0.02 -0.04 2.99 3.14 1z7dC1 LYS 223 HE3 0.14 -0.03 0.00 -0.04 2.99 3.06 1z7dC1 LYS 224 H -0.07 0.56 -0.16 -0.55 8.42 8.19 1z7dC1 LYS 224 HA -0.10 0.05 0.31 -0.75 4.32 3.83 1z7dC1 LYS 224 HB2 -0.15 0.03 -0.02 -0.04 1.87 1.69 1z7dC1 LYS 224 HB3 -0.19 -0.05 0.07 -0.04 1.79 1.57 1z7dC1 LYS 224 HG2 -0.07 0.27 0.14 -0.04 1.46 1.75 1z7dC1 LYS 224 HG3 -0.06 -0.10 -0.04 -0.04 1.46 1.23 1z7dC1 LYS 224 HD2 -0.07 -0.01 -0.01 -0.04 1.69 1.56 1z7dC1 LYS 224 HD3 -0.06 -0.00 -0.08 -0.04 1.68 1.50 1z7dC1 LYS 224 HE2 -0.02 -0.01 0.01 -0.04 2.99 2.93 1z7dC1 LYS 224 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.88 1z7dC1 TYR 225 H 0.11 0.29 -0.34 -0.55 8.29 7.79 1z7dC1 TYR 225 HA -0.00 0.17 0.93 -0.75 4.56 4.90 1z7dC1 TYR 225 HB2 -0.03 0.10 0.11 -0.04 3.06 3.20 1z7dC1 TYR 225 HB3 -0.00 0.17 0.17 -0.04 2.98 3.28 1z7dC1 TYR 225 HD2 -0.03 0.12 0.04 -0.04 7.15 7.23 1z7dC1 TYR 225 HE2 -0.03 -0.09 -0.02 -0.04 6.85 6.67 1z7dC1 ASN 226 H 0.04 0.21 -0.42 -0.55 8.53 7.81 1z7dC1 ASN 226 HA 0.11 0.01 0.30 -0.75 4.76 4.42 1z7dC1 ASN 226 HB2 0.09 -0.05 -0.06 -0.04 2.88 2.83 1z7dC1 ASN 226 HB3 0.15 0.15 0.04 -0.04 2.79 3.08 1z7dC1 ASN 226 HD21 0.13 -0.08 0.00 -0.04 7.03 7.04 1z7dC1 ASN 226 HD22 0.10 0.09 0.07 -0.04 7.74 7.96 1z7dC1 VAL 227 H 0.08 0.49 -0.07 -0.55 8.24 8.19 1z7dC1 VAL 227 HA 0.15 0.30 0.75 -0.75 4.13 4.57 1z7dC1 VAL 227 HB 0.06 -0.12 -0.09 -0.04 2.12 1.93 1z7dC1 VAL 227 HG13 0.09 -0.02 -0.40 -0.04 0.97 0.59 1z7dC1 VAL 227 HG23 0.10 0.12 -0.22 -0.04 0.95 0.92 1z7dC1 LEU 228 H -0.09 0.51 0.21 -0.55 8.37 8.45 1z7dC1 LEU 228 HA -0.20 0.07 0.63 -0.75 4.35 4.09 1z7dC1 LEU 228 HB2 -0.17 -0.07 0.21 -0.04 1.64 1.56 1z7dC1 LEU 228 HB3 -0.26 -0.11 -0.04 -0.04 1.64 1.19 1z7dC1 LEU 228 HG -0.94 0.34 0.15 -0.04 1.64 1.14 1z7dC1 LEU 228 HD13 -0.67 -0.04 -0.03 -0.04 0.93 0.15 1z7dC1 LEU 228 HD23 -1.39 -0.00 -0.11 -0.04 0.89 -0.65 1z7dC1 PHE 229 H 0.11 0.18 0.20 -0.55 8.34 8.27 1z7dC1 PHE 229 HA 0.04 0.22 0.78 -0.75 4.62 4.91 1z7dC1 PHE 229 HB2 0.03 0.14 0.05 -0.04 3.15 3.33 1z7dC1 PHE 229 HB3 0.05 -0.17 0.29 -0.04 3.06 3.19 1z7dC1 PHE 229 HD2 0.13 0.12 -0.12 -0.04 7.28 7.38 1z7dC1 PHE 229 HE2 0.03 0.00 -0.21 -0.04 7.38 7.16 1z7dC1 PHE 229 HZ 0.02 -0.06 -0.13 -0.04 7.32 7.11 1z7dC1 VAL 230 H 0.10 0.99 0.31 -0.55 8.24 9.09 1z7dC1 VAL 230 HA -0.18 0.27 1.01 -0.75 4.13 4.48 1z7dC1 VAL 230 HB -0.06 -0.04 0.12 -0.04 2.12 2.11 1z7dC1 VAL 230 HG13 -0.09 -0.04 -0.27 -0.04 0.97 0.53 1z7dC1 VAL 230 HG23 -0.05 0.02 -0.18 -0.04 0.95 0.70 1z7dC1 ALA 231 H -0.34 0.61 0.30 -0.55 8.40 8.42 1z7dC1 ALA 231 HA -0.16 0.30 0.94 -0.75 4.34 4.66 1z7dC1 ALA 231 HB3 -0.32 -0.01 0.09 -0.04 1.41 1.12 1z7dC1 ASP 232 H -0.06 0.71 0.19 -0.55 8.40 8.69 1z7dC1 ASP 232 HA -0.07 0.04 0.84 -0.75 4.63 4.68 1z7dC1 ASP 232 HB2 -0.04 0.08 -0.04 -0.04 2.71 2.67 1z7dC1 ASP 232 HB3 -0.02 0.00 -0.03 -0.04 2.70 2.61 1z7dC1 GLU 233 H -0.06 0.63 0.35 -0.55 8.60 8.97 1z7dC1 GLU 233 HA -0.01 0.03 0.86 -0.75 4.29 4.42 1z7dC1 GLU 233 HB2 -0.06 0.25 0.14 -0.04 2.09 2.39 1z7dC1 GLU 233 HB3 -0.04 -0.13 0.22 -0.04 1.99 2.00 1z7dC1 GLU 233 HG2 -0.04 0.01 -0.41 -0.04 2.34 1.85 1z7dC1 GLU 233 HG3 -0.07 0.13 -0.04 -0.04 2.34 2.33 1z7dC1 VAL 234 H -0.03 0.10 -0.13 -0.55 8.24 7.63 1z7dC1 VAL 234 HA -0.03 -0.07 0.36 -0.75 4.13 3.64 1z7dC1 VAL 234 HB -0.02 0.00 -0.01 -0.04 2.12 2.05 1z7dC1 VAL 234 HG13 -0.02 -0.01 -0.09 -0.04 0.97 0.81 1z7dC1 VAL 234 HG23 -0.05 0.01 -0.20 -0.04 0.95 0.67 1z7dC1 GLN 235 H -0.00 -0.04 -0.27 -0.55 8.47 7.61 1z7dC1 GLN 235 HA 0.02 0.32 0.82 -0.75 4.36 4.77 1z7dC1 GLN 235 HB2 0.02 -0.02 0.01 -0.04 2.15 2.12 1z7dC1 GLN 235 HB3 0.04 0.10 -0.01 -0.04 2.02 2.11 1z7dC1 GLN 235 HG2 -0.00 -0.18 -0.11 -0.04 2.40 2.07 1z7dC1 GLN 235 HG3 0.01 -0.05 -0.01 -0.04 2.39 2.30 1z7dC1 GLN 235 HE21 0.13 0.16 0.09 -0.04 6.97 7.32 1z7dC1 GLN 235 HE22 0.09 -0.03 -0.01 -0.04 7.69 7.70 1z7dC1 THR 236 H 0.01 -0.07 0.03 -0.55 8.28 7.70 1z7dC1 THR 236 HA 0.03 0.26 0.63 -0.75 4.39 4.55 1z7dC1 THR 236 HB 0.07 0.02 0.12 -0.04 4.32 4.49 1z7dC1 THR 236 HG23 0.06 -0.07 0.04 -0.04 1.22 1.20 1z7dC1 GLY 237 H -0.01 0.24 -0.25 -0.55 8.43 7.87 1z7dC1 GLY 237 HA2 -0.04 -0.13 0.47 -0.51 4.01 3.79 1z7dC1 GLY 237 HA3 -0.04 0.16 0.42 -0.51 4.01 4.04 1z7dC1 LEU 238 H -0.06 0.73 0.29 -0.55 8.37 8.78 1z7dC1 LEU 238 HA -0.04 0.05 0.40 -0.75 4.35 4.01 1z7dC1 LEU 238 HB2 -0.02 0.10 -0.24 -0.04 1.64 1.44 1z7dC1 LEU 238 HB3 -0.02 0.02 0.10 -0.04 1.64 1.70 1z7dC1 LEU 238 HG -0.03 -0.09 -0.05 -0.04 1.64 1.43 1z7dC1 LEU 238 HD13 -0.01 0.01 -0.09 -0.04 0.93 0.80 1z7dC1 LEU 238 HD23 -0.02 0.04 0.05 -0.04 0.89 0.92 1z7dC1 GLY 239 H -0.05 0.42 -0.08 -0.55 8.43 8.17 1z7dC1 GLY 239 HA2 -0.03 -0.08 0.11 -0.51 4.01 3.50 1z7dC1 GLY 239 HA3 -0.02 0.16 0.37 -0.51 4.01 4.00 1z7dC1 ARG 240 H -0.01 0.42 -0.51 -0.55 8.46 7.81 1z7dC1 ARG 240 HA -0.02 0.08 0.22 -0.75 4.34 3.86 1z7dC1 ARG 240 HB2 -0.01 0.04 0.04 -0.04 1.90 1.93 1z7dC1 ARG 240 HB3 0.01 0.03 -0.06 -0.04 1.80 1.74 1z7dC1 ARG 240 HG2 0.01 0.16 0.02 -0.04 1.67 1.82 1z7dC1 ARG 240 HG3 0.02 -0.07 -0.24 -0.04 1.67 1.34 1z7dC1 ARG 240 HD2 -0.01 -0.01 -0.09 -0.04 3.22 3.07 1z7dC1 ARG 240 HD3 -0.02 -0.07 -0.28 -0.04 3.22 2.81 1z7dC1 THR 241 H 0.04 0.12 -0.26 -0.55 8.28 7.64 1z7dC1 THR 241 HA 0.07 0.27 0.77 -0.75 4.39 4.75 1z7dC1 THR 241 HB 0.11 0.02 0.02 -0.04 4.32 4.43 1z7dC1 THR 241 HG23 0.08 0.04 -0.00 -0.04 1.22 1.29 1z7dC1 GLY 242 H 0.04 0.59 -0.42 -0.55 8.43 8.09 1z7dC1 GLY 242 HA2 0.02 0.23 0.40 -0.51 4.01 4.14 1z7dC1 GLY 242 HA3 0.09 0.12 0.66 -0.51 4.01 4.37 1z7dC1 LYS 243 H -0.05 0.07 -0.20 -0.55 8.42 7.69 1z7dC1 LYS 243 HA -0.10 0.22 0.64 -0.75 4.32 4.32 1z7dC1 LYS 243 HB2 -0.35 -0.01 -0.28 -0.04 1.87 1.18 1z7dC1 LYS 243 HB3 -0.18 -0.07 0.02 -0.04 1.79 1.51 1z7dC1 LYS 243 HG2 -0.75 0.04 -0.54 -0.04 1.46 0.17 1z7dC1 LYS 243 HG3 -0.87 -0.04 -0.19 -0.04 1.46 0.32 1z7dC1 LYS 243 HD2 -0.12 -0.01 -0.08 -0.04 1.69 1.44 1z7dC1 LYS 243 HD3 -0.11 0.00 0.09 -0.04 1.68 1.62 1z7dC1 LYS 243 HE2 -0.07 0.13 -0.05 -0.04 2.99 2.96 1z7dC1 LYS 243 HE3 -0.14 -0.01 -0.08 -0.04 2.99 2.72 1z7dC1 LEU 244 H -0.09 0.27 0.08 -0.55 8.37 8.09 1z7dC1 LEU 244 HA -0.09 -0.01 0.46 -0.75 4.35 3.96 1z7dC1 LEU 244 HB2 -0.09 0.05 0.14 -0.04 1.64 1.69 1z7dC1 LEU 244 HB3 -0.17 0.07 -0.09 -0.04 1.64 1.41 1z7dC1 LEU 244 HG -0.02 -0.00 0.02 -0.04 1.64 1.59 1z7dC1 LEU 244 HD13 0.00 0.04 -0.03 -0.04 0.93 0.90 1z7dC1 LEU 244 HD23 -0.03 -0.01 0.02 -0.04 0.89 0.82 1z7dC1 LEU 245 H -0.58 0.25 -0.09 -0.55 8.37 7.40 1z7dC1 LEU 245 HA -0.15 0.09 0.59 -0.75 4.35 4.12 1z7dC1 LEU 245 HB2 -0.63 0.03 0.07 -0.04 1.64 1.07 1z7dC1 LEU 245 HB3 -0.14 -0.09 0.05 -0.04 1.64 1.42 1z7dC1 LEU 245 HG -0.24 0.02 -0.26 -0.04 1.64 1.12 1z7dC1 LEU 245 HD13 0.03 0.04 -0.04 -0.04 0.93 0.93 1z7dC1 LEU 245 HD23 -0.08 0.01 0.08 -0.04 0.89 0.85 1z7dC1 CYS 246 H -0.02 0.24 -0.07 -0.55 8.50 8.10 1z7dC1 CYS 246 HA 0.13 0.10 0.37 -0.75 4.58 4.42 1z7dC1 CYS 246 HB2 0.10 0.19 0.08 -0.04 2.97 3.29 1z7dC1 CYS 246 HB3 0.11 -0.07 0.00 -0.04 2.97 2.97 1z7dC1 VAL 247 H 0.04 0.01 -0.41 -0.55 8.24 7.33 1z7dC1 VAL 247 HA 0.25 0.07 0.32 -0.75 4.13 4.01 1z7dC1 VAL 247 HB 0.05 -0.11 0.03 -0.04 2.12 2.05 1z7dC1 VAL 247 HG13 0.12 0.03 -0.09 -0.04 0.97 0.99 1z7dC1 VAL 247 HG23 0.13 0.02 -0.02 -0.04 0.95 1.04 1z7dC1 HIS 248 H 0.06 0.36 -0.36 -0.55 8.41 7.92 1z7dC1 HIS 248 HA -0.03 0.09 0.41 -0.75 4.63 4.34 1z7dC1 HIS 248 HB2 -0.16 0.10 0.09 -0.04 3.26 3.26 1z7dC1 HIS 248 HB3 -0.12 0.05 -0.00 -0.04 3.20 3.08 1z7dC1 HIS 248 HD2 -0.02 0.00 -0.12 -0.04 6.97 6.79 1z7dC1 HIS 248 HE1 -0.04 0.11 -0.00 -0.04 7.75 7.77 1z7dC1 HIS 249 H -0.06 0.33 -0.25 -0.55 8.41 7.89 1z7dC1 HIS 249 HA -0.13 0.05 0.39 -0.75 4.63 4.19 1z7dC1 HIS 249 HB2 -0.48 0.13 0.10 -0.04 3.26 2.97 1z7dC1 HIS 249 HB3 -0.70 -0.00 -0.03 -0.04 3.20 2.43 1z7dC1 HIS 249 HD2 -0.05 -0.04 0.09 -0.04 6.97 6.93 1z7dC1 HIS 249 HE1 -0.04 0.05 -0.01 -0.04 7.75 7.70 1z7dC1 TYR 250 H 0.13 0.26 -0.41 -0.55 8.29 7.72 1z7dC1 TYR 250 HA 0.07 0.21 0.68 -0.75 4.56 4.76 1z7dC1 TYR 250 HB2 0.10 0.01 0.03 -0.04 3.06 3.15 1z7dC1 TYR 250 HB3 0.06 -0.04 0.12 -0.04 2.98 3.08 1z7dC1 TYR 250 HD2 0.10 0.03 -0.01 -0.04 7.15 7.23 1z7dC1 TYR 250 HE2 0.07 -0.02 -0.02 -0.04 6.85 6.84 1z7dC1 ASN 251 H 0.06 0.34 -0.33 -0.55 8.53 8.04 1z7dC1 ASN 251 HA -0.03 0.03 0.28 -0.75 4.76 4.28 1z7dC1 ASN 251 HB2 0.01 0.09 -0.02 -0.04 2.88 2.92 1z7dC1 ASN 251 HB3 -0.04 -0.04 0.14 -0.04 2.79 2.82 1z7dC1 ASN 251 HD21 -0.03 -0.01 -0.00 -0.04 7.03 6.95 1z7dC1 ASN 251 HD22 -0.06 -0.02 0.04 -0.04 7.74 7.66 1z7dC1 VAL 252 H 0.08 0.28 -0.20 -0.55 8.24 7.86 1z7dC1 VAL 252 HA -0.18 0.18 0.87 -0.75 4.13 4.25 1z7dC1 VAL 252 HB -0.01 0.08 -0.15 -0.04 2.12 1.99 1z7dC1 VAL 252 HG13 0.20 -0.05 -0.19 -0.04 0.97 0.90 1z7dC1 VAL 252 HG23 0.22 -0.01 -0.29 -0.04 0.95 0.82 1z7dC1 LYS 253 H -0.23 0.21 0.03 -0.55 8.42 7.88 1z7dC1 LYS 253 HA 0.05 0.15 0.77 -0.75 4.32 4.54 1z7dC1 LYS 253 HB2 -0.07 -0.01 -0.09 -0.04 1.87 1.66 1z7dC1 LYS 253 HB3 -0.06 -0.02 0.13 -0.04 1.79 1.79 1z7dC1 LYS 253 HG2 0.01 0.17 -0.19 -0.04 1.46 1.41 1z7dC1 LYS 253 HG3 -0.16 0.04 -0.02 -0.04 1.46 1.27 1z7dC1 LYS 253 HD2 -0.12 0.02 0.01 -0.04 1.69 1.55 1z7dC1 LYS 253 HD3 -0.07 -0.03 0.01 -0.04 1.68 1.54 1z7dC1 LYS 253 HE2 0.12 -0.04 0.07 -0.04 2.99 3.10 1z7dC1 LYS 253 HE3 0.10 0.01 -0.02 -0.04 2.99 3.04 1z7dC1 PRO 254 HA 0.14 0.03 0.44 -0.51 4.44 4.54 1z7dC1 PRO 254 HB2 -0.30 0.07 -0.10 -0.04 2.28 1.91 1z7dC1 PRO 254 HB3 -1.24 -0.01 -0.01 -0.04 2.02 0.71 1z7dC1 PRO 254 HG2 -0.23 -0.06 0.02 -0.04 2.03 1.71 1z7dC1 PRO 254 HG3 -0.48 -0.00 -0.07 -0.04 2.03 1.44 1z7dC1 PRO 254 HD2 0.11 0.10 0.12 -0.04 3.68 3.97 1z7dC1 PRO 254 HD3 0.05 0.38 0.11 -0.04 3.65 4.15 1z7dC1 ASP 255 H 0.02 0.29 0.37 -0.55 8.40 8.53 1z7dC1 ASP 255 HA 0.10 0.11 0.57 -0.75 4.63 4.65 1z7dC1 ASP 255 HB2 -0.08 -0.06 0.14 -0.04 2.71 2.67 1z7dC1 ASP 255 HB3 -0.14 -0.01 0.05 -0.04 2.70 2.57 1z7dC1 VAL 256 H -0.15 0.48 0.22 -0.55 8.24 8.23 1z7dC1 VAL 256 HA -0.25 0.35 1.01 -0.75 4.13 4.48 1z7dC1 VAL 256 HB -0.14 -0.09 0.00 -0.04 2.12 1.85 1z7dC1 VAL 256 HG13 -0.14 -0.01 -0.16 -0.04 0.97 0.62 1z7dC1 VAL 256 HG23 -0.15 -0.00 -0.21 -0.04 0.95 0.54 1z7dC1 ILE 257 H -0.37 0.66 0.32 -0.55 8.25 8.31 1z7dC1 ILE 257 HA -0.21 0.24 1.03 -0.75 4.18 4.49 1z7dC1 ILE 257 HB -0.48 0.03 0.04 -0.04 1.89 1.44 1z7dC1 ILE 257 HG12 -0.21 0.04 -0.04 -0.04 1.49 1.23 1z7dC1 ILE 257 HG13 -0.26 0.11 -0.37 -0.04 1.21 0.65 1z7dC1 ILE 257 HG23 -0.12 -0.03 -0.16 -0.04 0.93 0.57 1z7dC1 ILE 257 HD13 0.03 -0.01 -0.04 -0.04 0.88 0.83 1z7dC1 LEU 258 H -0.13 0.54 0.38 -0.55 8.37 8.62 1z7dC1 LEU 258 HA -0.11 0.34 1.13 -0.75 4.35 4.96 1z7dC1 LEU 258 HB2 -0.08 -0.28 0.23 -0.04 1.64 1.47 1z7dC1 LEU 258 HB3 -0.08 0.03 0.05 -0.04 1.64 1.59 1z7dC1 LEU 258 HG -0.11 0.04 -0.22 -0.04 1.64 1.31 1z7dC1 LEU 258 HD13 -0.09 -0.02 -0.13 -0.04 0.93 0.65 1z7dC1 LEU 258 HD23 -0.11 0.04 -0.13 -0.04 0.89 0.65 1z7dC1 LEU 259 H -0.07 0.80 0.36 -0.55 8.37 8.92 1z7dC1 LEU 259 HA -0.05 0.13 0.74 -0.75 4.35 4.42 1z7dC1 LEU 259 HB2 -0.04 -0.02 -0.03 -0.04 1.64 1.50 1z7dC1 LEU 259 HB3 -0.03 0.05 0.05 -0.04 1.64 1.67 1z7dC1 LEU 259 HG -0.07 -0.03 -0.39 -0.04 1.64 1.10 1z7dC1 LEU 259 HD13 -0.02 0.02 -0.11 -0.04 0.93 0.77 1z7dC1 LEU 259 HD23 -0.05 0.03 -0.05 -0.04 0.89 0.78 1z7dC1 GLY 260 H -0.02 0.34 0.20 -0.55 8.43 8.40 1z7dC1 GLY 260 HA2 -0.01 0.23 0.44 -0.51 4.01 4.16 1z7dC1 GLY 260 HA3 -0.02 -0.06 0.60 -0.51 4.01 4.02 1z7dC1 LYS 261 H 0.00 0.11 0.22 -0.55 8.42 8.20 1z7dC1 LYS 261 HA 0.01 0.01 0.46 -0.75 4.32 4.05 1z7dC1 LYS 261 HB2 0.00 0.18 -0.08 -0.04 1.87 1.93 1z7dC1 LYS 261 HB3 0.01 0.07 -0.20 -0.04 1.79 1.64 1z7dC1 LYS 261 HG2 0.00 -0.18 -0.02 -0.04 1.46 1.23 1z7dC1 LYS 261 HG3 0.03 0.30 0.06 -0.04 1.46 1.81 1z7dC1 LYS 261 HD2 0.03 0.03 0.04 -0.04 1.69 1.74 1z7dC1 LYS 261 HD3 0.00 -0.15 0.11 -0.04 1.68 1.60 1z7dC1 LYS 261 HE2 0.08 0.24 0.06 -0.04 2.99 3.32 1z7dC1 LYS 261 HE3 0.01 -0.04 0.02 -0.04 2.99 2.94 1z7dC1 ALA 262 H -0.00 0.30 0.30 -0.55 8.40 8.46 1z7dC1 ALA 262 HA -0.00 0.14 0.68 -0.75 4.34 4.40 1z7dC1 ALA 262 HB3 -0.02 0.10 0.21 -0.04 1.41 1.66 1z7dC1 LEU 263 H -0.00 0.54 -0.35 -0.55 8.37 8.02 1z7dC1 LEU 263 HA -0.00 0.06 0.38 -0.75 4.35 4.03 1z7dC1 LEU 263 HB2 -0.00 0.13 -0.11 -0.04 1.64 1.62 1z7dC1 LEU 263 HB3 0.01 0.04 -0.27 -0.04 1.64 1.37 1z7dC1 LEU 263 HG -0.00 0.01 -0.14 -0.04 1.64 1.47 1z7dC1 LEU 263 HD13 0.00 -0.00 -0.07 -0.04 0.93 0.82 1z7dC1 LEU 263 HD23 -0.01 -0.03 -0.48 -0.04 0.89 0.33 1z7dC1 SER 264 H 0.02 0.31 -0.36 -0.55 8.46 7.89 1z7dC1 SER 264 HA 0.02 0.24 0.77 -0.75 4.49 4.76 1z7dC1 SER 264 HB2 0.13 -0.10 0.09 -0.04 3.95 4.02 1z7dC1 SER 264 HB3 0.08 -0.01 -0.05 -0.04 3.93 3.91 1z7dC1 GLY 265 H 0.02 0.35 0.03 -0.55 8.43 8.28 1z7dC1 GLY 265 HA2 0.02 0.06 0.50 -0.51 4.01 4.08 1z7dC1 GLY 265 HA3 0.07 0.01 0.51 -0.51 4.01 4.09 1z7dC1 GLY 266 H 0.05 0.10 -0.20 -0.55 8.43 7.83 1z7dC1 GLY 266 HA2 0.02 -0.02 0.20 -0.51 4.01 3.69 1z7dC1 GLY 266 HA3 -0.01 0.04 0.34 -0.51 4.01 3.87 1z7dC1 HIS 267 H 0.23 0.46 -0.42 -0.55 8.41 8.13 1z7dC1 HIS 267 HA 0.05 0.14 0.55 -0.75 4.63 4.62 1z7dC1 HIS 267 HB2 0.05 0.18 0.05 -0.04 3.26 3.51 1z7dC1 HIS 267 HB3 0.08 -0.04 0.05 -0.04 3.20 3.24 1z7dC1 HIS 267 HD2 0.03 0.28 -0.08 -0.04 6.97 7.16 1z7dC1 HIS 267 HE1 0.05 -0.01 -0.06 -0.04 7.75 7.68 1z7dC1 TYR 268 H 0.15 0.18 -0.24 -0.55 8.29 7.82 1z7dC1 TYR 268 HA 0.01 0.13 0.49 -0.75 4.56 4.44 1z7dC1 TYR 268 HB2 0.05 0.06 -0.51 -0.04 3.06 2.62 1z7dC1 TYR 268 HB3 0.03 -0.06 -0.23 -0.04 2.98 2.68 1z7dC1 TYR 268 HD2 0.03 0.18 -0.07 -0.04 7.15 7.25 1z7dC1 TYR 268 HE2 0.07 0.00 0.02 -0.04 6.85 6.90 1z7dC1 PRO 269 HA 0.03 0.05 0.83 -0.51 4.44 4.83 1z7dC1 PRO 269 HB2 -0.02 -0.04 -0.03 -0.04 2.28 2.14 1z7dC1 PRO 269 HB3 -0.05 -0.01 0.07 -0.04 2.02 1.99 1z7dC1 PRO 269 HG2 -0.21 -0.02 0.10 -0.04 2.03 1.85 1z7dC1 PRO 269 HG3 -0.19 0.05 0.05 -0.04 2.03 1.91 1z7dC1 PRO 269 HD2 -0.93 0.10 0.19 -0.04 3.68 2.99 1z7dC1 PRO 269 HD3 -0.34 0.17 0.09 -0.04 3.65 3.53 1z7dC1 ILE 270 H 0.06 0.17 0.21 -0.55 8.25 8.14 1z7dC1 ILE 270 HA 0.09 0.24 0.99 -0.75 4.18 4.74 1z7dC1 ILE 270 HB 0.05 -0.08 -0.14 -0.04 1.89 1.68 1z7dC1 ILE 270 HG12 0.10 0.03 -0.19 -0.04 1.49 1.39 1z7dC1 ILE 270 HG13 0.20 -0.06 -0.75 -0.04 1.21 0.56 1z7dC1 ILE 270 HG23 0.01 0.00 -0.19 -0.04 0.93 0.71 1z7dC1 ILE 270 HD13 -0.01 0.00 -0.13 -0.04 0.88 0.70 1z7dC1 SER 271 H 0.02 0.61 -0.04 -0.55 8.46 8.50 1z7dC1 SER 271 HA -0.01 0.14 0.65 -0.75 4.49 4.52 1z7dC1 SER 271 HB2 -0.03 0.11 0.09 -0.04 3.95 4.08 1z7dC1 SER 271 HB3 -0.02 -0.12 -0.37 -0.04 3.93 3.39 1z7dC1 ALA 272 H -0.04 0.67 0.28 -0.55 8.40 8.77 1z7dC1 ALA 272 HA -0.03 0.29 0.78 -0.75 4.34 4.62 1z7dC1 ALA 272 HB3 -0.02 0.01 -0.17 -0.04 1.41 1.18 1z7dC1 VAL 273 H -0.05 0.49 0.28 -0.55 8.24 8.40 1z7dC1 VAL 273 HA -0.11 0.28 0.97 -0.75 4.13 4.52 1z7dC1 VAL 273 HB -0.06 -0.03 0.12 -0.04 2.12 2.10 1z7dC1 VAL 273 HG13 -0.10 0.02 -0.15 -0.04 0.97 0.70 1z7dC1 VAL 273 HG23 -0.08 -0.02 -0.10 -0.04 0.95 0.72 1z7dC1 LEU 274 H -0.21 0.62 0.31 -0.55 8.37 8.55 1z7dC1 LEU 274 HA -0.12 0.31 1.12 -0.75 4.35 4.91 1z7dC1 LEU 274 HB2 -0.41 -0.06 0.08 -0.04 1.64 1.21 1z7dC1 LEU 274 HB3 -0.35 0.05 -0.05 -0.04 1.64 1.25 1z7dC1 LEU 274 HG -0.05 0.01 -0.12 -0.04 1.64 1.44 1z7dC1 LEU 274 HD13 -0.08 -0.04 -0.24 -0.04 0.93 0.53 1z7dC1 LEU 274 HD23 0.07 0.02 -0.23 -0.04 0.89 0.71 1z7dC1 ALA 275 H -0.07 0.56 0.27 -0.55 8.40 8.62 1z7dC1 ALA 275 HA -0.10 0.27 0.64 -0.75 4.34 4.39 1z7dC1 ALA 275 HB3 -0.08 0.01 -0.03 -0.04 1.41 1.27 1z7dC1 ASN 276 H 0.15 0.34 0.24 -0.55 8.53 8.71 1z7dC1 ASN 276 HA 0.10 -0.10 0.71 -0.75 4.76 4.73 1z7dC1 ASN 276 HB2 0.08 0.08 0.16 -0.04 2.88 3.16 1z7dC1 ASN 276 HB3 0.07 -0.05 0.15 -0.04 2.79 2.92 1z7dC1 ASN 276 HD21 0.00 0.14 0.08 -0.04 7.03 7.20 1z7dC1 ASN 276 HD22 0.07 0.02 0.09 -0.04 7.74 7.88 1z7dC1 ASP 277 H 0.06 0.18 0.22 -0.55 8.40 8.31 1z7dC1 ASP 277 HA 0.06 0.06 0.39 -0.75 4.63 4.38 1z7dC1 ASP 277 HB2 0.05 -0.01 0.18 -0.04 2.71 2.89 1z7dC1 ASP 277 HB3 0.05 0.11 -0.03 -0.04 2.70 2.79 1z7dC1 ASP 278 H 0.08 0.09 -0.12 -0.55 8.40 7.90 1z7dC1 ASP 278 HA 0.11 0.11 0.31 -0.75 4.63 4.42 1z7dC1 ASP 278 HB2 0.16 0.11 0.05 -0.04 2.71 2.99 1z7dC1 ASP 278 HB3 0.10 -0.03 0.07 -0.04 2.70 2.80 1z7dC1 ILE 279 H 0.09 0.17 -0.53 -0.55 8.25 7.43 1z7dC1 ILE 279 HA 0.32 0.23 0.84 -0.75 4.18 4.81 1z7dC1 ILE 279 HB -0.02 -0.01 0.06 -0.04 1.89 1.88 1z7dC1 ILE 279 HG12 -0.60 0.09 -0.07 -0.04 1.49 0.88 1z7dC1 ILE 279 HG13 -0.03 -0.09 -0.20 -0.04 1.21 0.85 1z7dC1 ILE 279 HG23 -0.12 -0.00 -0.21 -0.04 0.93 0.55 1z7dC1 ILE 279 HD13 -0.25 -0.00 -0.04 -0.04 0.88 0.55 1z7dC1 MET 280 H 0.06 0.69 0.07 -0.55 8.47 8.73 1z7dC1 MET 280 HA 0.04 0.02 0.23 -0.75 4.52 4.06 1z7dC1 MET 280 HB2 0.03 0.06 -0.14 -0.04 2.15 2.05 1z7dC1 MET 280 HB3 0.04 -0.05 -0.08 -0.04 2.03 1.90 1z7dC1 MET 280 HG2 0.02 -0.05 -0.16 -0.04 2.63 2.40 1z7dC1 MET 280 HG3 0.03 0.03 -0.16 -0.04 2.56 2.42 1z7dC1 MET 280 HE3 -0.03 -0.02 -0.30 -0.04 2.10 1.71 1z7dC1 LEU 281 H 0.08 0.65 -0.08 -0.55 8.37 8.47 1z7dC1 LEU 281 HA 0.05 0.04 0.21 -0.75 4.35 3.90 1z7dC1 LEU 281 HB2 0.07 0.19 0.01 -0.04 1.64 1.87 1z7dC1 LEU 281 HB3 0.05 0.00 0.06 -0.04 1.64 1.71 1z7dC1 LEU 281 HG 0.05 -0.13 0.06 -0.04 1.64 1.58 1z7dC1 LEU 281 HD13 0.04 -0.02 -0.05 -0.04 0.93 0.87 1z7dC1 LEU 281 HD23 0.04 0.00 0.00 -0.04 0.89 0.90 1z7dC1 VAL 282 H 0.11 0.30 -0.82 -0.55 8.24 7.27 1z7dC1 VAL 282 HA 0.07 0.08 0.48 -0.75 4.13 4.01 1z7dC1 VAL 282 HB 0.14 0.03 -0.04 -0.04 2.12 2.21 1z7dC1 VAL 282 HG13 0.09 -0.03 -0.11 -0.04 0.97 0.88 1z7dC1 VAL 282 HG23 0.19 0.01 -0.07 -0.04 0.95 1.04 1z7dC1 ILE 283 H 0.06 0.49 -0.15 -0.55 8.25 8.10 1z7dC1 ILE 283 HA 0.05 0.05 0.74 -0.75 4.18 4.26 1z7dC1 ILE 283 HB 0.03 0.01 0.05 -0.04 1.89 1.94 1z7dC1 ILE 283 HG12 0.04 -0.05 -0.06 -0.04 1.49 1.38 1z7dC1 ILE 283 HG13 0.05 0.07 -0.02 -0.04 1.21 1.27 1z7dC1 ILE 283 HG23 0.02 -0.03 -0.13 -0.04 0.93 0.76 1z7dC1 ILE 283 HD13 0.02 -0.03 -0.04 -0.04 0.88 0.79 1z7dC1 LYS 284 H 0.03 0.16 0.14 -0.55 8.42 8.20 1z7dC1 LYS 284 HA 0.03 0.18 0.75 -0.75 4.32 4.52 1z7dC1 LYS 284 HB2 0.03 -0.03 0.00 -0.04 1.87 1.83 1z7dC1 LYS 284 HB3 0.02 0.03 0.07 -0.04 1.79 1.87 1z7dC1 LYS 284 HG2 0.04 0.05 -0.46 -0.04 1.46 1.05 1z7dC1 LYS 284 HG3 0.03 -0.03 -0.07 -0.04 1.46 1.34 1z7dC1 LYS 284 HD2 0.03 -0.07 -0.01 -0.04 1.69 1.59 1z7dC1 LYS 284 HD3 0.03 0.02 0.05 -0.04 1.68 1.73 1z7dC1 LYS 284 HE2 0.03 -0.10 -0.01 -0.04 2.99 2.87 1z7dC1 LYS 284 HE3 0.04 0.30 -0.14 -0.04 2.99 3.15 1z7dC1 PRO 285 HA -0.00 -0.08 0.46 -0.51 4.44 4.31 1z7dC1 PRO 285 HB2 0.01 0.03 0.10 -0.04 2.28 2.38 1z7dC1 PRO 285 HB3 -0.01 0.03 0.08 -0.04 2.02 2.09 1z7dC1 PRO 285 HG2 0.02 0.03 0.08 -0.04 2.03 2.12 1z7dC1 PRO 285 HG3 0.01 0.02 0.06 -0.04 2.03 2.08 1z7dC1 PRO 285 HD2 0.02 0.11 0.19 -0.04 3.68 3.95 1z7dC1 PRO 285 HD3 0.02 0.16 0.18 -0.04 3.65 3.98 1z7dC1 GLY 286 H -0.01 -0.00 0.12 -0.55 8.43 8.00 1z7dC1 GLY 286 HA2 0.01 0.23 0.74 -0.51 4.01 4.48 1z7dC1 GLY 286 HA3 0.01 -0.07 0.38 -0.51 4.01 3.82 1z7dC1 GLU 287 H 0.02 0.10 0.09 -0.55 8.60 8.27 1z7dC1 GLU 287 HA 0.02 0.27 0.97 -0.75 4.29 4.79 1z7dC1 GLU 287 HB2 0.03 -0.01 0.03 -0.04 2.09 2.09 1z7dC1 GLU 287 HB3 0.03 0.01 0.19 -0.04 1.99 2.17 1z7dC1 GLU 287 HG2 0.01 -0.02 -0.40 -0.04 2.34 1.90 1z7dC1 GLU 287 HG3 0.01 -0.01 -0.06 -0.04 2.34 2.25 1z7dC1 HIS 288 H 0.03 -0.02 -0.06 -0.55 8.41 7.82 1z7dC1 HIS 288 HA -0.03 -0.05 0.27 -0.75 4.63 4.06 1z7dC1 HIS 288 HB2 -0.02 0.65 0.86 -0.04 3.26 4.70 1z7dC1 HIS 288 HB3 -0.01 -0.07 0.20 -0.04 3.20 3.28 1z7dC1 HIS 288 HD2 -0.01 -0.04 -0.17 -0.04 6.97 6.71 1z7dC1 HIS 288 HE1 -0.05 -0.04 0.02 -0.04 7.75 7.64 1z7dC1 GLY 289 H -0.18 0.11 0.02 -0.55 8.43 7.83 1z7dC1 GLY 289 HA2 0.06 0.21 0.59 -0.51 4.01 4.35 1z7dC1 GLY 289 HA3 -0.02 -0.00 0.38 -0.51 4.01 3.86 1z7dC1 SER 290 H 0.01 0.09 0.13 -0.55 8.46 8.15 1z7dC1 SER 290 HA 0.08 0.12 0.49 -0.75 4.49 4.42 1z7dC1 SER 290 HB2 0.05 0.07 0.16 -0.04 3.95 4.18 1z7dC1 SER 290 HB3 0.04 -0.06 0.19 -0.04 3.93 4.06 1z7dC1 THR 291 H 0.09 0.21 0.25 -0.55 8.28 8.27 1z7dC1 THR 291 HA -0.17 0.10 0.42 -0.75 4.39 3.99 1z7dC1 THR 291 HB -0.15 -0.03 0.12 -0.04 4.32 4.22 1z7dC1 THR 291 HG23 0.09 0.03 0.11 -0.04 1.22 1.41 1z7dC1 TYR 292 H 0.23 -0.02 -0.38 -0.55 8.29 7.56 1z7dC1 TYR 292 HA 0.03 0.14 0.46 -0.75 4.56 4.43 1z7dC1 TYR 292 HB2 0.04 -0.06 0.02 -0.04 3.06 3.02 1z7dC1 TYR 292 HB3 0.12 0.02 0.04 -0.04 2.98 3.12 1z7dC1 TYR 292 HD2 0.11 -0.05 0.02 -0.04 7.15 7.19 1z7dC1 TYR 292 HE2 0.06 0.04 -0.02 -0.04 6.85 6.89 1z7dC1 GLY 293 H 0.05 0.31 -0.34 -0.55 8.43 7.90 1z7dC1 GLY 293 HA2 0.05 -0.13 0.34 -0.51 4.01 3.76 1z7dC1 GLY 293 HA3 0.00 0.09 0.30 -0.51 4.01 3.89 1z7dC1 GLY 294 H 0.02 0.08 0.03 -0.55 8.43 8.01 1z7dC1 GLY 294 HA2 -0.01 -0.03 0.25 -0.51 4.01 3.72 1z7dC1 GLY 294 HA3 -0.02 0.05 0.24 -0.51 4.01 3.78 1z7dC1 ASN 295 H 0.02 0.35 -0.26 -0.55 8.53 8.10 1z7dC1 ASN 295 HA -0.04 0.10 0.40 -0.75 4.76 4.46 1z7dC1 ASN 295 HB2 -0.03 0.09 0.26 -0.04 2.88 3.16 1z7dC1 ASN 295 HB3 0.00 0.09 0.14 -0.04 2.79 2.98 1z7dC1 ASN 295 HD21 0.22 -0.05 0.07 -0.04 7.03 7.22 1z7dC1 ASN 295 HD22 0.28 0.52 0.21 -0.04 7.74 8.71 1z7dC1 PRO 296 HA -0.03 -0.01 0.32 -0.51 4.44 4.21 1z7dC1 PRO 296 HB2 -0.02 0.23 -0.11 -0.04 2.28 2.34 1z7dC1 PRO 296 HB3 -0.00 -0.06 0.04 -0.04 2.02 1.95 1z7dC1 PRO 296 HG2 -0.01 0.04 -0.55 -0.04 2.03 1.47 1z7dC1 PRO 296 HG3 0.01 0.03 -0.19 -0.04 2.03 1.84 1z7dC1 PRO 296 HD2 -0.03 0.15 0.13 -0.04 3.68 3.89 1z7dC1 PRO 296 HD3 -0.02 0.15 0.11 -0.04 3.65 3.85 1z7dC1 LEU 297 H -0.07 0.32 -0.10 -0.55 8.37 7.97 1z7dC1 LEU 297 HA -0.10 0.11 0.50 -0.75 4.35 4.11 1z7dC1 LEU 297 HB2 -0.03 0.07 0.24 -0.04 1.64 1.87 1z7dC1 LEU 297 HB3 -0.25 -0.06 0.12 -0.04 1.64 1.41 1z7dC1 LEU 297 HG -0.15 -0.01 -0.11 -0.04 1.64 1.33 1z7dC1 LEU 297 HD13 -0.03 0.01 0.10 -0.04 0.93 0.97 1z7dC1 LEU 297 HD23 0.14 0.01 0.03 -0.04 0.89 1.02 1z7dC1 ALA 298 H -0.42 0.14 -0.12 -0.55 8.40 7.45 1z7dC1 ALA 298 HA -0.47 0.06 0.35 -0.75 4.34 3.52 1z7dC1 ALA 298 HB3 -0.27 0.03 0.01 -0.04 1.41 1.15 1z7dC1 ALA 299 H -0.12 0.45 -0.40 -0.55 8.40 7.79 1z7dC1 ALA 299 HA -0.06 -0.02 0.24 -0.75 4.34 3.74 1z7dC1 ALA 299 HB3 -0.04 0.08 -0.17 -0.04 1.41 1.23 1z7dC1 SER 300 H -0.09 0.49 -0.15 -0.55 8.46 8.16 1z7dC1 SER 300 HA -0.09 0.01 0.51 -0.75 4.49 4.17 1z7dC1 SER 300 HB2 -0.08 0.12 0.16 -0.04 3.95 4.11 1z7dC1 SER 300 HB3 -0.07 -0.01 0.03 -0.04 3.93 3.84 1z7dC1 ILE 301 H -0.12 0.56 -0.12 -0.55 8.25 8.02 1z7dC1 ILE 301 HA -0.10 -0.01 0.42 -0.75 4.18 3.73 1z7dC1 ILE 301 HB -0.10 0.07 0.14 -0.04 1.89 1.96 1z7dC1 ILE 301 HG12 -0.05 -0.02 -0.00 -0.04 1.49 1.37 1z7dC1 ILE 301 HG13 -0.09 0.06 0.01 -0.04 1.21 1.15 1z7dC1 ILE 301 HG23 -0.01 -0.03 -0.09 -0.04 0.93 0.76 1z7dC1 ILE 301 HD13 -0.02 -0.03 -0.17 -0.04 0.88 0.62 1z7dC1 CYS 302 H -0.09 0.68 -0.12 -0.55 8.50 8.41 1z7dC1 CYS 302 HA -0.06 0.31 0.41 -0.75 4.58 4.49 1z7dC1 CYS 302 HB2 -0.05 -0.01 0.02 -0.04 2.97 2.89 1z7dC1 CYS 302 HB3 -0.07 0.09 0.11 -0.04 2.97 3.05 1z7dC1 VAL 303 H -0.16 0.40 -0.15 -0.55 8.24 7.78 1z7dC1 VAL 303 HA -0.53 0.00 0.35 -0.75 4.13 3.20 1z7dC1 VAL 303 HB -0.22 0.10 0.13 -0.04 2.12 2.08 1z7dC1 VAL 303 HG13 -0.57 -0.02 -0.08 -0.04 0.97 0.26 1z7dC1 VAL 303 HG23 -0.19 0.09 0.06 -0.04 0.95 0.86 1z7dC1 GLU 304 H -0.16 0.48 -0.16 -0.55 8.60 8.21 1z7dC1 GLU 304 HA -0.14 0.00 0.49 -0.75 4.29 3.88 1z7dC1 GLU 304 HB2 -0.11 0.04 0.12 -0.04 2.09 2.10 1z7dC1 GLU 304 HB3 -0.13 0.10 0.15 -0.04 1.99 2.07 1z7dC1 GLU 304 HG2 -0.10 0.21 -0.15 -0.04 2.34 2.26 1z7dC1 GLU 304 HG3 -0.14 -0.11 -0.36 -0.04 2.34 1.69 1z7dC1 ALA 305 H -0.12 0.77 0.02 -0.55 8.40 8.53 1z7dC1 ALA 305 HA -0.12 -0.10 0.42 -0.75 4.34 3.79 1z7dC1 ALA 305 HB3 -0.05 0.09 -0.09 -0.04 1.41 1.31 1z7dC1 LEU 306 H -0.09 0.63 -0.21 -0.55 8.37 8.16 1z7dC1 LEU 306 HA 0.01 -0.02 0.50 -0.75 4.35 4.08 1z7dC1 LEU 306 HB2 -0.02 0.16 0.12 -0.04 1.64 1.85 1z7dC1 LEU 306 HB3 0.22 -0.08 -0.00 -0.04 1.64 1.75 1z7dC1 LEU 306 HG -0.01 0.25 0.07 -0.04 1.64 1.91 1z7dC1 LEU 306 HD13 0.16 -0.03 -0.08 -0.04 0.93 0.94 1z7dC1 LEU 306 HD23 0.03 -0.04 -0.03 -0.04 0.89 0.82 1z7dC1 ASN 307 H -0.09 0.51 -0.09 -0.55 8.53 8.31 1z7dC1 ASN 307 HA 0.06 -0.01 0.51 -0.75 4.76 4.58 1z7dC1 ASN 307 HB2 -0.10 0.12 0.32 -0.04 2.88 3.18 1z7dC1 ASN 307 HB3 -0.04 -0.07 0.01 -0.04 2.79 2.65 1z7dC1 ASN 307 HD21 -0.06 -0.03 -0.04 -0.04 7.03 6.86 1z7dC1 ASN 307 HD22 -0.09 -0.04 -0.04 -0.04 7.74 7.53 1z7dC1 VAL 308 H -0.11 0.73 0.04 -0.55 8.24 8.35 1z7dC1 VAL 308 HA -0.11 -0.03 0.45 -0.75 4.13 3.69 1z7dC1 VAL 308 HB -0.20 0.20 0.16 -0.04 2.12 2.23 1z7dC1 VAL 308 HG13 -0.32 -0.01 -0.09 -0.04 0.97 0.50 1z7dC1 VAL 308 HG23 -0.42 0.01 0.01 -0.04 0.95 0.50 1z7dC1 LEU 309 H -0.05 0.48 -0.26 -0.55 8.37 7.99 1z7dC1 LEU 309 HA -0.03 -0.03 0.30 -0.75 4.35 3.85 1z7dC1 LEU 309 HB2 -0.01 0.21 0.18 -0.04 1.64 1.98 1z7dC1 LEU 309 HB3 -0.01 -0.11 -0.07 -0.04 1.64 1.41 1z7dC1 LEU 309 HG -0.03 0.03 0.03 -0.04 1.64 1.63 1z7dC1 LEU 309 HD13 -0.02 -0.02 -0.03 -0.04 0.93 0.83 1z7dC1 LEU 309 HD23 -0.02 -0.04 -0.08 -0.04 0.89 0.71 1z7dC1 ILE 310 H 0.01 0.52 -0.13 -0.55 8.25 8.10 1z7dC1 ILE 310 HA 0.00 -0.06 0.43 -0.75 4.18 3.79 1z7dC1 ILE 310 HB 0.03 0.08 0.21 -0.04 1.89 2.18 1z7dC1 ILE 310 HG12 0.05 0.43 0.15 -0.04 1.49 2.08 1z7dC1 ILE 310 HG13 0.05 -0.02 0.01 -0.04 1.21 1.21 1z7dC1 ILE 310 HG23 0.01 -0.01 -0.05 -0.04 0.93 0.83 1z7dC1 ILE 310 HD13 0.00 -0.04 -0.03 -0.04 0.88 0.77 1z7dC1 ASN 311 H 0.00 0.82 0.11 -0.55 8.53 8.91 1z7dC1 ASN 311 HA 0.01 0.02 0.36 -0.75 4.76 4.40 1z7dC1 ASN 311 HB2 -0.01 0.04 0.11 -0.04 2.88 2.98 1z7dC1 ASN 311 HB3 0.01 -0.04 -0.01 -0.04 2.79 2.71 1z7dC1 ASN 311 HD21 0.01 -0.03 -0.02 -0.04 7.03 6.94 1z7dC1 ASN 311 HD22 -0.00 -0.04 -0.08 -0.04 7.74 7.58 1z7dC1 GLU 312 H -0.00 0.65 -0.05 -0.55 8.60 8.65 1z7dC1 GLU 312 HA 0.02 0.09 0.55 -0.75 4.29 4.20 1z7dC1 GLU 312 HB2 0.02 0.12 0.06 -0.04 2.09 2.25 1z7dC1 GLU 312 HB3 0.04 -0.04 0.11 -0.04 1.99 2.07 1z7dC1 GLU 312 HG2 0.06 0.00 0.01 -0.04 2.34 2.36 1z7dC1 GLU 312 HG3 0.03 -0.03 0.05 -0.04 2.34 2.35 1z7dC1 LYS 313 H 0.00 0.29 -0.73 -0.55 8.42 7.43 1z7dC1 LYS 313 HA -0.00 0.04 0.35 -0.75 4.32 3.96 1z7dC1 LYS 313 HB2 0.00 0.15 -0.03 -0.04 1.87 1.95 1z7dC1 LYS 313 HB3 0.00 -0.15 0.17 -0.04 1.79 1.77 1z7dC1 LYS 313 HG2 0.00 -0.05 0.03 -0.04 1.46 1.41 1z7dC1 LYS 313 HG3 0.00 0.25 -0.15 -0.04 1.46 1.52 1z7dC1 LYS 313 HD2 0.01 0.03 -0.08 -0.04 1.69 1.60 1z7dC1 LYS 313 HD3 0.00 -0.07 -0.01 -0.04 1.68 1.56 1z7dC1 LYS 313 HE2 0.01 0.08 0.03 -0.04 2.99 3.07 1z7dC1 LYS 313 HE3 0.01 -0.05 0.01 -0.04 2.99 2.91 1z7dC1 LEU 314 H -0.01 0.67 0.08 -0.55 8.37 8.56 1z7dC1 LEU 314 HA -0.01 0.18 0.32 -0.75 4.35 4.09 1z7dC1 LEU 314 HB2 -0.01 -0.02 0.07 -0.04 1.64 1.63 1z7dC1 LEU 314 HB3 -0.02 -0.02 -0.05 -0.04 1.64 1.51 1z7dC1 LEU 314 HG 0.00 0.06 -0.15 -0.04 1.64 1.51 1z7dC1 LEU 314 HD13 0.00 -0.00 -0.12 -0.04 0.93 0.77 1z7dC1 LEU 314 HD23 0.01 0.04 -0.26 -0.04 0.89 0.64 1z7dC1 CYS 315 H -0.01 0.16 -0.11 -0.55 8.50 7.99 1z7dC1 CYS 315 HA -0.02 0.06 0.38 -0.75 4.58 4.25 1z7dC1 CYS 315 HB2 -0.02 0.06 -0.09 -0.04 2.97 2.88 1z7dC1 CYS 315 HB3 -0.03 0.03 -0.44 -0.04 2.97 2.48 1z7dC1 GLU 316 H -0.01 0.13 -0.40 -0.55 8.60 7.78 1z7dC1 GLU 316 HA 0.00 0.10 0.41 -0.75 4.29 4.04 1z7dC1 GLU 316 HB2 -0.00 0.19 0.10 -0.04 2.09 2.34 1z7dC1 GLU 316 HB3 0.00 0.00 0.03 -0.04 1.99 1.98 1z7dC1 GLU 316 HG2 -0.00 0.03 0.03 -0.04 2.34 2.35 1z7dC1 GLU 316 HG3 -0.01 -0.01 -0.02 -0.04 2.34 2.27 1z7dC1 ASN 317 H -0.00 0.45 -0.03 -0.55 8.53 8.40 1z7dC1 ASN 317 HA -0.00 -0.00 0.59 -0.75 4.76 4.60 1z7dC1 ASN 317 HB2 -0.01 0.11 0.21 -0.04 2.88 3.14 1z7dC1 ASN 317 HB3 -0.02 0.19 0.20 -0.04 2.79 3.13 1z7dC1 ASN 317 HD21 -0.03 0.32 0.00 -0.04 7.03 7.29 1z7dC1 ASN 317 HD22 -0.03 0.52 0.13 -0.04 7.74 8.31 1z7dC1 ALA 318 H -0.01 0.50 -0.13 -0.55 8.40 8.21 1z7dC1 ALA 318 HA -0.02 0.02 0.37 -0.75 4.34 3.95 1z7dC1 ALA 318 HB3 -0.01 0.01 0.11 -0.04 1.41 1.47 1z7dC1 GLU 319 H 0.01 0.44 -0.10 -0.55 8.60 8.41 1z7dC1 GLU 319 HA 0.05 0.01 0.63 -0.75 4.29 4.23 1z7dC1 GLU 319 HB2 0.03 0.20 0.28 -0.04 2.09 2.56 1z7dC1 GLU 319 HB3 0.03 -0.01 0.03 -0.04 1.99 2.00 1z7dC1 GLU 319 HG2 0.14 -0.01 0.17 -0.04 2.34 2.61 1z7dC1 GLU 319 HG3 0.08 0.15 0.09 -0.04 2.34 2.62 1z7dC1 LYS 320 H 0.01 0.50 -0.18 -0.55 8.42 8.20 1z7dC1 LYS 320 HA 0.02 0.05 0.62 -0.75 4.32 4.26 1z7dC1 LYS 320 HB2 0.01 0.14 0.19 -0.04 1.87 2.18 1z7dC1 LYS 320 HB3 0.01 0.03 0.18 -0.04 1.79 1.96 1z7dC1 LYS 320 HG2 0.02 -0.03 0.03 -0.04 1.46 1.43 1z7dC1 LYS 320 HG3 0.01 -0.02 0.06 -0.04 1.46 1.47 1z7dC1 LYS 320 HD2 0.01 0.02 0.02 -0.04 1.69 1.70 1z7dC1 LYS 320 HD3 0.01 -0.04 -0.03 -0.04 1.68 1.58 1z7dC1 LYS 320 HE2 0.01 0.01 0.01 -0.04 2.99 2.98 1z7dC1 LYS 320 HE3 0.01 -0.03 0.01 -0.04 2.99 2.94 1z7dC1 LEU 321 H 0.01 0.69 0.05 -0.55 8.37 8.57 1z7dC1 LEU 321 HA 0.03 0.06 0.48 -0.75 4.35 4.17 1z7dC1 LEU 321 HB2 -0.03 0.10 -0.01 -0.04 1.64 1.67 1z7dC1 LEU 321 HB3 -0.02 -0.10 -0.06 -0.04 1.64 1.43 1z7dC1 LEU 321 HG -0.00 0.13 0.09 -0.04 1.64 1.81 1z7dC1 LEU 321 HD13 -0.03 -0.03 -0.16 -0.04 0.93 0.66 1z7dC1 LEU 321 HD23 0.01 -0.04 -0.05 -0.04 0.89 0.77 1z7dC1 GLY 322 H 0.03 0.43 -0.15 -0.55 8.43 8.19 1z7dC1 GLY 322 HA2 0.13 -0.01 0.20 -0.51 4.01 3.83 1z7dC1 GLY 322 HA3 0.07 0.12 0.19 -0.51 4.01 3.87 1z7dC1 GLY 323 H 0.05 0.23 -0.17 -0.55 8.43 8.00 1z7dC1 GLY 323 HA2 0.03 0.01 0.34 -0.51 4.01 3.88 1z7dC1 GLY 323 HA3 0.03 0.09 0.29 -0.51 4.01 3.91 1z7dC1 PRO 324 HA 0.03 -0.00 0.43 -0.51 4.44 4.39 1z7dC1 PRO 324 HB2 0.08 0.06 0.06 -0.04 2.28 2.43 1z7dC1 PRO 324 HB3 0.04 -0.03 0.06 -0.04 2.02 2.06 1z7dC1 PRO 324 HG2 0.04 0.15 0.12 -0.04 2.03 2.29 1z7dC1 PRO 324 HG3 0.03 -0.03 0.08 -0.04 2.03 2.07 1z7dC1 PRO 324 HD2 0.06 0.14 -0.31 -0.04 3.68 3.53 1z7dC1 PRO 324 HD3 0.04 0.08 0.08 -0.04 3.65 3.81 1z7dC1 PHE 325 H 0.20 0.56 -0.18 -0.55 8.34 8.37 1z7dC1 PHE 325 HA 0.01 -0.05 0.38 -0.75 4.62 4.21 1z7dC1 PHE 325 HB2 0.01 -0.04 0.05 -0.04 3.15 3.13 1z7dC1 PHE 325 HB3 0.01 0.21 0.14 -0.04 3.06 3.38 1z7dC1 PHE 325 HD2 0.02 0.04 -0.06 -0.04 7.28 7.24 1z7dC1 PHE 325 HE2 0.07 0.01 -0.10 -0.04 7.38 7.32 1z7dC1 PHE 325 HZ 0.22 -0.02 -0.13 -0.04 7.32 7.34 1z7dC1 LEU 326 H 0.07 0.73 -0.05 -0.55 8.37 8.57 1z7dC1 LEU 326 HA -0.45 -0.03 0.36 -0.75 4.35 3.48 1z7dC1 LEU 326 HB2 0.00 0.06 -0.00 -0.04 1.64 1.66 1z7dC1 LEU 326 HB3 -0.02 0.12 0.08 -0.04 1.64 1.78 1z7dC1 LEU 326 HG -0.08 -0.04 -0.27 -0.04 1.64 1.20 1z7dC1 LEU 326 HD13 -0.06 -0.03 -0.26 -0.04 0.93 0.54 1z7dC1 LEU 326 HD23 -0.01 -0.01 -0.13 -0.04 0.89 0.70 1z7dC1 GLU 327 H -0.04 0.59 -0.10 -0.55 8.60 8.51 1z7dC1 GLU 327 HA -0.05 0.03 0.40 -0.75 4.29 3.91 1z7dC1 GLU 327 HB2 -0.01 0.04 0.13 -0.04 2.09 2.20 1z7dC1 GLU 327 HB3 -0.02 -0.05 0.05 -0.04 1.99 1.93 1z7dC1 GLU 327 HG2 -0.01 0.26 0.08 -0.04 2.34 2.63 1z7dC1 GLU 327 HG3 -0.00 -0.06 -0.03 -0.04 2.34 2.21 1z7dC1 ASN 328 H -0.05 0.71 -0.04 -0.55 8.53 8.61 1z7dC1 ASN 328 HA -0.03 -0.02 0.45 -0.75 4.76 4.41 1z7dC1 ASN 328 HB2 0.00 0.05 0.12 -0.04 2.88 3.00 1z7dC1 ASN 328 HB3 -0.03 0.13 0.13 -0.04 2.79 2.98 1z7dC1 ASN 328 HD21 0.02 -0.04 -0.06 -0.04 7.03 6.92 1z7dC1 ASN 328 HD22 0.02 0.05 -0.09 -0.04 7.74 7.67 1z7dC1 LEU 329 H -0.23 0.64 -0.14 -0.55 8.37 8.10 1z7dC1 LEU 329 HA -0.13 -0.02 0.38 -0.75 4.35 3.83 1z7dC1 LEU 329 HB2 -0.54 0.23 0.17 -0.04 1.64 1.46 1z7dC1 LEU 329 HB3 -0.26 0.03 -0.04 -0.04 1.64 1.32 1z7dC1 LEU 329 HG -0.36 -0.02 -0.00 -0.04 1.64 1.21 1z7dC1 LEU 329 HD13 -0.36 -0.01 -0.11 -0.04 0.93 0.41 1z7dC1 LEU 329 HD23 -0.08 -0.02 -0.03 -0.04 0.89 0.73 1z7dC1 LYS 330 H -0.13 0.71 -0.11 -0.55 8.42 8.33 1z7dC1 LYS 330 HA -0.08 -0.03 0.34 -0.75 4.32 3.80 1z7dC1 LYS 330 HB2 -0.08 0.10 0.13 -0.04 1.87 1.98 1z7dC1 LYS 330 HB3 -0.06 0.13 0.13 -0.04 1.79 1.95 1z7dC1 LYS 330 HG2 -0.04 -0.02 -0.04 -0.04 1.46 1.32 1z7dC1 LYS 330 HG3 -0.06 -0.07 0.10 -0.04 1.46 1.39 1z7dC1 LYS 330 HD2 -0.03 -0.02 0.01 -0.04 1.69 1.60 1z7dC1 LYS 330 HD3 -0.03 -0.04 0.04 -0.04 1.68 1.61 1z7dC1 LYS 330 HE2 -0.04 0.26 0.10 -0.04 2.99 3.27 1z7dC1 LYS 330 HE3 -0.05 0.00 -0.06 -0.04 2.99 2.84 1z7dC1 ARG 331 H -0.05 0.36 -0.42 -0.55 8.46 7.80 1z7dC1 ARG 331 HA -0.02 0.03 0.43 -0.75 4.34 4.02 1z7dC1 ARG 331 HB2 -0.02 0.05 0.10 -0.04 1.90 1.99 1z7dC1 ARG 331 HB3 -0.03 0.11 0.22 -0.04 1.80 2.06 1z7dC1 ARG 331 HG2 -0.01 -0.02 -0.16 -0.04 1.67 1.45 1z7dC1 ARG 331 HG3 -0.01 -0.03 0.03 -0.04 1.67 1.61 1z7dC1 ARG 331 HD2 -0.00 -0.04 -0.02 -0.04 3.22 3.11 1z7dC1 ARG 331 HD3 -0.01 -0.01 -0.02 -0.04 3.22 3.14 1z7dC1 GLU 332 H -0.03 0.69 0.08 -0.55 8.60 8.79 1z7dC1 GLU 332 HA -0.01 0.01 0.47 -0.75 4.29 4.01 1z7dC1 GLU 332 HB2 -0.03 0.12 0.14 -0.04 2.09 2.28 1z7dC1 GLU 332 HB3 -0.00 -0.06 0.04 -0.04 1.99 1.93 1z7dC1 GLU 332 HG2 -0.00 -0.05 0.05 -0.04 2.34 2.30 1z7dC1 GLU 332 HG3 -0.01 0.09 0.07 -0.04 2.34 2.44 1z7dC1 LEU 333 H -0.03 0.38 -0.52 -0.55 8.37 7.64 1z7dC1 LEU 333 HA 0.00 0.10 0.83 -0.75 4.35 4.54 1z7dC1 LEU 333 HB2 -0.05 0.14 0.00 -0.04 1.64 1.69 1z7dC1 LEU 333 HB3 -0.03 -0.08 0.10 -0.04 1.64 1.59 1z7dC1 LEU 333 HG -0.03 0.09 -0.09 -0.04 1.64 1.57 1z7dC1 LEU 333 HD13 -0.05 -0.03 -0.11 -0.04 0.93 0.70 1z7dC1 LEU 333 HD23 0.04 -0.01 -0.07 -0.04 0.89 0.81 1z7dC1 LYS 334 H -0.02 0.43 -0.34 -0.55 8.42 7.94 1z7dC1 LYS 334 HA -0.02 0.08 0.28 -0.75 4.32 3.91 1z7dC1 LYS 334 HB2 -0.02 0.06 0.24 -0.04 1.87 2.11 1z7dC1 LYS 334 HB3 -0.01 0.08 0.18 -0.04 1.79 1.99 1z7dC1 LYS 334 HG2 -0.01 -0.06 0.01 -0.04 1.46 1.36 1z7dC1 LYS 334 HG3 -0.01 -0.02 -0.18 -0.04 1.46 1.21 1z7dC1 LYS 334 HD2 -0.02 0.06 0.12 -0.04 1.69 1.81 1z7dC1 LYS 334 HD3 -0.01 -0.04 0.05 -0.04 1.68 1.63 1z7dC1 LYS 334 HE2 -0.01 -0.04 0.03 -0.04 2.99 2.93 1z7dC1 LYS 334 HE3 -0.01 -0.04 0.01 -0.04 2.99 2.91 1z7dC1 ASP 335 H 0.00 0.09 -0.38 -0.55 8.40 7.56 1z7dC1 ASP 335 HA 0.00 0.23 0.81 -0.75 4.63 4.92 1z7dC1 ASP 335 HB2 0.01 0.01 0.00 -0.04 2.71 2.69 1z7dC1 ASP 335 HB3 0.01 -0.03 0.12 -0.04 2.70 2.76 1z7dC1 SER 336 H 0.01 0.49 -0.29 -0.55 8.46 8.13 1z7dC1 SER 336 HA 0.04 0.01 0.63 -0.75 4.49 4.41 1z7dC1 SER 336 HB2 0.05 0.01 0.05 -0.04 3.95 4.02 1z7dC1 SER 336 HB3 0.03 0.24 0.16 -0.04 3.93 4.32 1z7dC1 LYS 337 H 0.04 0.11 0.21 -0.55 8.42 8.22 1z7dC1 LYS 337 HA 0.02 0.20 0.36 -0.75 4.32 4.15 1z7dC1 LYS 337 HB2 0.03 -0.02 0.10 -0.04 1.87 1.94 1z7dC1 LYS 337 HB3 0.02 0.00 0.10 -0.04 1.79 1.88 1z7dC1 LYS 337 HG2 0.02 0.10 -0.02 -0.04 1.46 1.52 1z7dC1 LYS 337 HG3 0.02 -0.01 0.13 -0.04 1.46 1.56 1z7dC1 LYS 337 HD2 0.01 -0.02 0.04 -0.04 1.69 1.68 1z7dC1 LYS 337 HD3 0.01 -0.00 0.03 -0.04 1.68 1.68 1z7dC1 LYS 337 HE2 0.01 0.04 0.04 -0.04 2.99 3.05 1z7dC1 LYS 337 HE3 0.01 -0.02 0.05 -0.04 2.99 2.99 1z7dC1 ILE 338 H 0.09 0.03 -0.16 -0.55 8.25 7.66 1z7dC1 ILE 338 HA 0.09 0.15 0.56 -0.75 4.18 4.23 1z7dC1 ILE 338 HB 0.17 -0.07 0.08 -0.04 1.89 2.02 1z7dC1 ILE 338 HG12 0.15 -0.06 -0.10 -0.04 1.49 1.44 1z7dC1 ILE 338 HG13 0.28 0.01 -0.33 -0.04 1.21 1.13 1z7dC1 ILE 338 HG23 0.09 0.05 -0.02 -0.04 0.93 1.01 1z7dC1 ILE 338 HD13 0.15 0.06 -0.18 -0.04 0.88 0.86 1z7dC1 VAL 339 H 0.05 0.32 -0.52 -0.55 8.24 7.54 1z7dC1 VAL 339 HA -0.14 0.05 0.81 -0.75 4.13 4.10 1z7dC1 VAL 339 HB -0.04 0.22 0.05 -0.04 2.12 2.31 1z7dC1 VAL 339 HG13 -0.21 0.00 -0.24 -0.04 0.97 0.48 1z7dC1 VAL 339 HG23 -0.04 -0.04 -0.12 -0.04 0.95 0.71 1z7dC1 ARG 340 H -0.14 0.52 0.38 -0.55 8.46 8.68 1z7dC1 ARG 340 HA -0.03 0.14 0.66 -0.75 4.34 4.36 1z7dC1 ARG 340 HB2 -0.00 -0.07 -0.20 -0.04 1.90 1.59 1z7dC1 ARG 340 HB3 -0.05 -0.01 -0.24 -0.04 1.80 1.46 1z7dC1 ARG 340 HG2 -0.03 -0.03 -0.22 -0.04 1.67 1.36 1z7dC1 ARG 340 HG3 -0.02 0.02 -0.04 -0.04 1.67 1.59 1z7dC1 ARG 340 HD2 0.00 0.00 -0.08 -0.04 3.22 3.11 1z7dC1 ARG 340 HD3 -0.00 -0.03 -0.05 -0.04 3.22 3.09 1z7dC1 ASP 341 H -0.15 0.44 0.25 -0.55 8.40 8.38 1z7dC1 ASP 341 HA -0.07 0.14 0.56 -0.75 4.63 4.50 1z7dC1 ASP 341 HB2 -0.04 0.10 -0.30 -0.04 2.71 2.42 1z7dC1 ASP 341 HB3 -0.05 -0.09 -0.08 -0.04 2.70 2.43 1z7dC1 VAL 342 H -0.07 0.27 0.18 -0.55 8.24 8.06 1z7dC1 VAL 342 HA -0.10 0.21 0.98 -0.75 4.13 4.46 1z7dC1 VAL 342 HB -0.08 -0.01 0.14 -0.04 2.12 2.12 1z7dC1 VAL 342 HG13 -0.12 -0.00 -0.06 -0.04 0.97 0.75 1z7dC1 VAL 342 HG23 -0.12 0.01 -0.12 -0.04 0.95 0.68 1z7dC1 ARG 343 H -0.04 0.68 0.36 -0.55 8.46 8.91 1z7dC1 ARG 343 HA -0.02 0.13 0.84 -0.75 4.34 4.54 1z7dC1 ARG 343 HB2 0.01 -0.03 0.10 -0.04 1.90 1.93 1z7dC1 ARG 343 HB3 -0.01 0.05 -0.14 -0.04 1.80 1.65 1z7dC1 ARG 343 HG2 -0.02 -0.07 -0.16 -0.04 1.67 1.37 1z7dC1 ARG 343 HG3 0.01 0.11 -0.09 -0.04 1.67 1.66 1z7dC1 ARG 343 HD2 0.01 0.04 -0.00 -0.04 3.22 3.23 1z7dC1 ARG 343 HD3 -0.00 -0.03 -0.08 -0.04 3.22 3.06 1z7dC1 GLY 344 H 0.01 0.26 0.25 -0.55 8.43 8.40 1z7dC1 GLY 344 HA2 0.03 0.08 0.40 -0.51 4.01 4.01 1z7dC1 GLY 344 HA3 0.04 0.10 0.62 -0.51 4.01 4.25 1z7dC1 LYS 345 H 0.03 0.55 0.21 -0.55 8.42 8.66 1z7dC1 LYS 345 HA -0.02 0.09 0.48 -0.75 4.32 4.12 1z7dC1 LYS 345 HB2 -0.02 0.05 0.02 -0.04 1.87 1.87 1z7dC1 LYS 345 HB3 -0.01 -0.08 0.09 -0.04 1.79 1.75 1z7dC1 LYS 345 HG2 -0.21 0.12 -0.03 -0.04 1.46 1.29 1z7dC1 LYS 345 HG3 -0.21 0.01 0.12 -0.04 1.46 1.34 1z7dC1 LYS 345 HD2 -0.17 -0.09 -0.01 -0.04 1.69 1.38 1z7dC1 LYS 345 HD3 -1.07 0.00 0.02 -0.04 1.68 0.59 1z7dC1 LYS 345 HE2 -0.03 0.04 0.01 -0.04 2.99 2.98 1z7dC1 LYS 345 HE3 0.06 -0.02 -0.02 -0.04 2.99 2.96 1z7dC1 GLY 346 H 0.00 0.12 0.06 -0.55 8.43 8.06 1z7dC1 GLY 346 HA2 0.04 0.10 0.29 -0.51 4.01 3.92 1z7dC1 GLY 346 HA3 0.05 -0.03 0.30 -0.51 4.01 3.82 1z7dC1 LEU 347 H 0.01 0.54 0.37 -0.55 8.37 8.74 1z7dC1 LEU 347 HA 0.01 0.13 0.72 -0.75 4.35 4.46 1z7dC1 LEU 347 HB2 -0.05 0.01 0.16 -0.04 1.64 1.72 1z7dC1 LEU 347 HB3 -0.10 0.02 0.18 -0.04 1.64 1.70 1z7dC1 LEU 347 HG -0.21 0.02 -0.02 -0.04 1.64 1.39 1z7dC1 LEU 347 HD13 -0.10 -0.00 -0.15 -0.04 0.93 0.63 1z7dC1 LEU 347 HD23 -0.10 -0.04 -0.07 -0.04 0.89 0.64 1z7dC1 LEU 348 H 0.03 0.51 -0.13 -0.55 8.37 8.23 1z7dC1 LEU 348 HA 0.01 0.13 0.89 -0.75 4.35 4.64 1z7dC1 LEU 348 HB2 0.03 -0.05 -0.04 -0.04 1.64 1.54 1z7dC1 LEU 348 HB3 0.04 0.02 0.21 -0.04 1.64 1.86 1z7dC1 LEU 348 HG 0.04 -0.03 -0.14 -0.04 1.64 1.47 1z7dC1 LEU 348 HD13 0.03 0.02 -0.09 -0.04 0.93 0.86 1z7dC1 LEU 348 HD23 0.04 -0.02 -0.12 -0.04 0.89 0.75 1z7dC1 CYS 349 H 0.06 0.58 0.14 -0.55 8.50 8.73 1z7dC1 CYS 349 HA 0.06 0.24 1.14 -0.75 4.58 5.26 1z7dC1 CYS 349 HB2 0.22 0.06 0.01 -0.04 2.97 3.23 1z7dC1 CYS 349 HB3 0.11 -0.03 0.05 -0.04 2.97 3.05 1z7dC1 ALA 350 H 0.03 0.58 0.39 -0.55 8.40 8.86 1z7dC1 ALA 350 HA 0.07 0.12 0.76 -0.75 4.34 4.53 1z7dC1 ALA 350 HB3 0.04 0.00 -0.21 -0.04 1.41 1.20 1z7dC1 ILE 351 H 0.02 0.46 0.28 -0.55 8.25 8.47 1z7dC1 ILE 351 HA -0.15 0.27 1.02 -0.75 4.18 4.57 1z7dC1 ILE 351 HB -0.48 0.08 0.09 -0.04 1.89 1.54 1z7dC1 ILE 351 HG12 0.04 -0.02 0.06 -0.04 1.49 1.54 1z7dC1 ILE 351 HG13 -0.07 -0.04 0.00 -0.04 1.21 1.06 1z7dC1 ILE 351 HG23 -0.10 -0.02 -0.06 -0.04 0.93 0.71 1z7dC1 ILE 351 HD13 0.04 0.00 -0.09 -0.04 0.88 0.79 1z7dC1 GLU 352 H -0.20 0.71 0.33 -0.55 8.60 8.89 1z7dC1 GLU 352 HA -0.03 0.13 0.95 -0.75 4.29 4.59 1z7dC1 GLU 352 HB2 -0.03 0.04 -0.01 -0.04 2.09 2.05 1z7dC1 GLU 352 HB3 -0.08 -0.07 0.11 -0.04 1.99 1.91 1z7dC1 GLU 352 HG2 0.00 0.10 -0.12 -0.04 2.34 2.28 1z7dC1 GLU 352 HG3 0.03 -0.05 -0.06 -0.04 2.34 2.22 1z7dC1 PHE 353 H 0.16 0.61 0.36 -0.55 8.34 8.91 1z7dC1 PHE 353 HA -0.00 0.12 1.02 -0.75 4.62 5.00 1z7dC1 PHE 353 HB2 -0.02 0.07 0.10 -0.04 3.15 3.26 1z7dC1 PHE 353 HB3 -0.02 0.05 -0.01 -0.04 3.06 3.04 1z7dC1 PHE 353 HD2 -0.02 0.14 -0.09 -0.04 7.28 7.27 1z7dC1 PHE 353 HE2 -0.01 -0.03 -0.10 -0.04 7.38 7.20 1z7dC1 PHE 353 HZ -0.02 -0.00 -0.10 -0.04 7.32 7.15 1z7dC1 LYS 354 H 0.17 0.87 0.23 -0.55 8.42 9.13 1z7dC1 LYS 354 HA 0.06 0.07 0.71 -0.75 4.32 4.41 1z7dC1 LYS 354 HB2 0.07 0.04 0.22 -0.04 1.87 2.17 1z7dC1 LYS 354 HB3 0.05 -0.09 0.12 -0.04 1.79 1.82 1z7dC1 LYS 354 HG2 0.03 -0.04 -0.04 -0.04 1.46 1.36 1z7dC1 LYS 354 HG3 0.03 -0.01 -0.33 -0.04 1.46 1.11 1z7dC1 LYS 354 HD2 0.04 0.32 0.12 -0.04 1.69 2.13 1z7dC1 LYS 354 HD3 0.03 -0.12 0.02 -0.04 1.68 1.57 1z7dC1 LYS 354 HE2 0.01 -0.12 -0.01 -0.04 2.99 2.83 1z7dC1 LYS 354 HE3 0.01 0.16 -0.13 -0.04 2.99 2.99 1z7dC1 ASN 355 H 0.07 0.50 0.28 -0.55 8.53 8.83 1z7dC1 ASN 355 HA 0.04 0.18 0.61 -0.75 4.76 4.83 1z7dC1 ASN 355 HB2 0.05 0.08 0.28 -0.04 2.88 3.25 1z7dC1 ASN 355 HB3 0.03 -0.07 0.10 -0.04 2.79 2.81 1z7dC1 ASN 355 HD21 0.03 -0.04 -0.00 -0.04 7.03 6.98 1z7dC1 ASN 355 HD22 0.02 -0.04 -0.02 -0.04 7.74 7.66 1z7dC1 GLU 356 H 0.03 0.07 -0.27 -0.55 8.60 7.89 1z7dC1 GLU 356 HA 0.02 0.07 0.33 -0.75 4.29 3.96 1z7dC1 GLU 356 HB2 0.02 0.06 -0.09 -0.04 2.09 2.03 1z7dC1 GLU 356 HB3 0.02 0.00 0.10 -0.04 1.99 2.07 1z7dC1 GLU 356 HG2 0.02 0.02 0.02 -0.04 2.34 2.36 1z7dC1 GLU 356 HG3 0.02 -0.03 0.03 -0.04 2.34 2.32 1z7dC1 LEU 357 H 0.04 0.42 -0.39 -0.55 8.37 7.90 1z7dC1 LEU 357 HA 0.03 0.15 0.90 -0.75 4.35 4.68 1z7dC1 LEU 357 HB2 0.05 0.14 0.15 -0.04 1.64 1.95 1z7dC1 LEU 357 HB3 0.04 -0.01 0.03 -0.04 1.64 1.66 1z7dC1 LEU 357 HG 0.03 -0.12 -0.13 -0.04 1.64 1.38 1z7dC1 LEU 357 HD13 0.04 -0.00 -0.04 -0.04 0.93 0.89 1z7dC1 LEU 357 HD23 0.02 0.02 -0.04 -0.04 0.89 0.86 1z7dC1 VAL 358 H 0.03 0.30 0.09 -0.55 8.24 8.11 1z7dC1 VAL 358 HA 0.04 0.14 0.83 -0.75 4.13 4.39 1z7dC1 VAL 358 HB 0.04 0.05 -0.19 -0.04 2.12 1.98 1z7dC1 VAL 358 HG13 -0.05 0.02 -0.18 -0.04 0.97 0.72 1z7dC1 VAL 358 HG23 -0.07 0.01 -0.09 -0.04 0.95 0.77 1z7dC1 ASN 359 H 0.01 0.21 0.13 -0.55 8.53 8.33 1z7dC1 ASN 359 HA -0.04 0.15 0.80 -0.75 4.76 4.92 1z7dC1 ASN 359 HB2 0.02 0.13 0.14 -0.04 2.88 3.12 1z7dC1 ASN 359 HB3 0.02 0.02 0.23 -0.04 2.79 3.02 1z7dC1 ASN 359 HD21 0.01 0.01 0.01 -0.04 7.03 7.01 1z7dC1 ASN 359 HD22 0.03 0.10 0.04 -0.04 7.74 7.86 1z7dC1 VAL 360 H -0.09 0.39 0.16 -0.55 8.24 8.15 1z7dC1 VAL 360 HA -0.41 0.10 0.25 -0.75 4.13 3.33 1z7dC1 VAL 360 HB -0.05 -0.03 -0.14 -0.04 2.12 1.87 1z7dC1 VAL 360 HG13 -0.06 -0.03 -0.38 -0.04 0.97 0.46 1z7dC1 VAL 360 HG23 -0.06 0.08 -0.11 -0.04 0.95 0.82 1z7dC1 LEU 361 H -0.08 0.13 -0.18 -0.55 8.37 7.70 1z7dC1 LEU 361 HA -0.06 0.06 0.45 -0.75 4.35 4.04 1z7dC1 LEU 361 HB2 -0.02 0.01 0.07 -0.04 1.64 1.65 1z7dC1 LEU 361 HB3 -0.03 0.01 0.01 -0.04 1.64 1.60 1z7dC1 LEU 361 HG -0.02 0.01 -0.24 -0.04 1.64 1.36 1z7dC1 LEU 361 HD13 -0.01 -0.00 0.05 -0.04 0.93 0.92 1z7dC1 LEU 361 HD23 -0.00 0.02 -0.04 -0.04 0.89 0.83 1z7dC1 ASP 362 H -0.09 0.15 -0.30 -0.55 8.40 7.62 1z7dC1 ASP 362 HA 0.02 0.05 0.51 -0.75 4.63 4.45 1z7dC1 ASP 362 HB2 0.02 0.21 0.11 -0.04 2.71 3.01 1z7dC1 ASP 362 HB3 0.30 0.04 0.02 -0.04 2.70 3.02 1z7dC1 ILE 363 H -0.47 0.25 -0.29 -0.55 8.25 7.19 1z7dC1 ILE 363 HA -0.63 0.09 0.46 -0.75 4.18 3.35 1z7dC1 ILE 363 HB -0.55 0.12 0.09 -0.04 1.89 1.51 1z7dC1 ILE 363 HG12 -1.72 0.04 -0.07 -0.04 1.49 -0.31 1z7dC1 ILE 363 HG13 -0.98 0.10 -0.07 -0.04 1.21 0.22 1z7dC1 ILE 363 HG23 -0.45 0.00 -0.16 -0.04 0.93 0.28 1z7dC1 ILE 363 HD13 -1.14 0.00 -0.14 -0.04 0.88 -0.44 1z7dC1 CYS 364 H -0.17 0.49 -0.09 -0.55 8.50 8.18 1z7dC1 CYS 364 HA -0.05 0.01 0.34 -0.75 4.58 4.12 1z7dC1 CYS 364 HB2 -0.05 0.14 0.16 -0.04 2.97 3.18 1z7dC1 CYS 364 HB3 -0.03 -0.00 -0.02 -0.04 2.97 2.88 1z7dC1 LEU 365 H -0.03 0.42 -0.26 -0.55 8.37 7.95 1z7dC1 LEU 365 HA -0.01 0.01 0.45 -0.75 4.35 4.05 1z7dC1 LEU 365 HB2 0.02 0.08 0.11 -0.04 1.64 1.81 1z7dC1 LEU 365 HB3 0.01 -0.02 0.04 -0.04 1.64 1.63 1z7dC1 LEU 365 HG -0.01 0.12 0.05 -0.04 1.64 1.76 1z7dC1 LEU 365 HD13 0.01 -0.01 -0.04 -0.04 0.93 0.85 1z7dC1 LEU 365 HD23 -0.01 -0.01 0.00 -0.04 0.89 0.83 1z7dC1 LYS 366 H 0.04 0.51 -0.15 -0.55 8.42 8.27 1z7dC1 LYS 366 HA -0.02 0.02 0.62 -0.75 4.32 4.19 1z7dC1 LYS 366 HB2 0.17 0.03 0.13 -0.04 1.87 2.15 1z7dC1 LYS 366 HB3 0.21 0.08 0.17 -0.04 1.79 2.21 1z7dC1 LYS 366 HG2 -0.04 0.05 0.01 -0.04 1.46 1.43 1z7dC1 LYS 366 HG3 -0.05 -0.03 -0.12 -0.04 1.46 1.22 1z7dC1 LYS 366 HD2 -0.22 -0.05 0.05 -0.04 1.69 1.42 1z7dC1 LYS 366 HD3 -0.37 -0.01 0.02 -0.04 1.68 1.28 1z7dC1 LYS 366 HE2 -1.76 0.03 -0.00 -0.04 2.99 1.22 1z7dC1 LYS 366 HE3 -0.47 0.01 -0.02 -0.04 2.99 2.48 1z7dC1 LEU 367 H 0.01 0.69 -0.00 -0.55 8.37 8.52 1z7dC1 LEU 367 HA 0.01 0.01 0.43 -0.75 4.35 4.04 1z7dC1 LEU 367 HB2 -0.02 0.10 0.15 -0.04 1.64 1.84 1z7dC1 LEU 367 HB3 -0.00 0.17 0.01 -0.04 1.64 1.77 1z7dC1 LEU 367 HG -0.04 -0.03 -0.12 -0.04 1.64 1.40 1z7dC1 LEU 367 HD13 -0.00 -0.01 -0.08 -0.04 0.93 0.80 1z7dC1 LEU 367 HD23 -0.00 -0.03 -0.18 -0.04 0.89 0.64 1z7dC1 LYS 368 H 0.01 0.53 -0.14 -0.55 8.42 8.26 1z7dC1 LYS 368 HA 0.11 0.01 0.23 -0.75 4.32 3.92 1z7dC1 LYS 368 HB2 -0.02 -0.05 0.10 -0.04 1.87 1.86 1z7dC1 LYS 368 HB3 0.02 0.15 0.14 -0.04 1.79 2.05 1z7dC1 LYS 368 HG2 0.04 -0.06 -0.14 -0.04 1.46 1.26 1z7dC1 LYS 368 HG3 -0.13 -0.11 -0.11 -0.04 1.46 1.07 1z7dC1 LYS 368 HD2 0.02 0.02 -0.09 -0.04 1.69 1.60 1z7dC1 LYS 368 HD3 0.11 0.08 -0.43 -0.04 1.68 1.40 1z7dC1 LYS 368 HE2 0.09 -0.07 -0.12 -0.04 2.99 2.84 1z7dC1 LYS 368 HE3 -0.04 -0.04 -0.22 -0.04 2.99 2.65 1z7dC1 GLU 369 H 0.04 0.46 -0.19 -0.55 8.60 8.36 1z7dC1 GLU 369 HA 0.07 -0.04 0.45 -0.75 4.29 4.02 1z7dC1 GLU 369 HB2 -0.02 0.16 0.23 -0.04 2.09 2.42 1z7dC1 GLU 369 HB3 -0.02 -0.05 0.01 -0.04 1.99 1.88 1z7dC1 GLU 369 HG2 0.01 -0.08 0.07 -0.04 2.34 2.29 1z7dC1 GLU 369 HG3 0.01 0.15 0.11 -0.04 2.34 2.58 1z7dC1 ASN 370 H 0.02 0.54 -0.27 -0.55 8.53 8.27 1z7dC1 ASN 370 HA -0.01 0.05 0.56 -0.75 4.76 4.60 1z7dC1 ASN 370 HB2 0.01 0.11 0.15 -0.04 2.88 3.10 1z7dC1 ASN 370 HB3 0.00 -0.09 0.18 -0.04 2.79 2.84 1z7dC1 ASN 370 HD21 -0.06 -0.05 -0.07 -0.04 7.03 6.81 1z7dC1 ASN 370 HD22 -0.00 -0.01 -0.07 -0.04 7.74 7.61 1z7dC1 GLY 371 H 0.08 0.39 -0.54 -0.55 8.43 7.82 1z7dC1 GLY 371 HA2 -0.07 0.08 0.33 -0.51 4.01 3.84 1z7dC1 GLY 371 HA3 0.03 0.06 0.58 -0.51 4.01 4.17 1z7dC1 LEU 372 H 0.13 0.60 -0.02 -0.55 8.37 8.53 1z7dC1 LEU 372 HA 0.19 0.14 0.93 -0.75 4.35 4.86 1z7dC1 LEU 372 HB2 -0.05 0.02 -0.20 -0.04 1.64 1.37 1z7dC1 LEU 372 HB3 -0.06 0.02 -0.06 -0.04 1.64 1.50 1z7dC1 LEU 372 HG -0.34 -0.00 -0.08 -0.04 1.64 1.18 1z7dC1 LEU 372 HD13 -0.79 -0.01 -0.07 -0.04 0.93 0.02 1z7dC1 LEU 372 HD23 -0.23 -0.02 -0.35 -0.04 0.89 0.26 1z7dC1 ILE 373 H 0.13 0.58 0.23 -0.55 8.25 8.64 1z7dC1 ILE 373 HA -0.01 0.22 0.96 -0.75 4.18 4.60 1z7dC1 ILE 373 HB -0.10 0.02 0.01 -0.04 1.89 1.77 1z7dC1 ILE 373 HG12 0.02 0.15 -0.01 -0.04 1.49 1.60 1z7dC1 ILE 373 HG13 0.00 -0.19 0.06 -0.04 1.21 1.05 1z7dC1 ILE 373 HG23 -0.32 0.01 -0.16 -0.04 0.93 0.42 1z7dC1 ILE 373 HD13 -0.16 -0.01 -0.10 -0.04 0.88 0.57 1z7dC1 THR 374 H -0.01 0.30 0.17 -0.55 8.28 8.19 1z7dC1 THR 374 HA 0.01 0.04 0.41 -0.75 4.39 4.09 1z7dC1 THR 374 HB 0.04 -0.02 -0.03 -0.04 4.32 4.26 1z7dC1 THR 374 HG23 0.08 0.28 0.11 -0.04 1.22 1.64 1z7dC1 ARG 375 H -0.00 0.29 0.22 -0.55 8.46 8.41 1z7dC1 ARG 375 HA 0.00 0.13 0.82 -0.75 4.34 4.54 1z7dC1 ARG 375 HB2 -0.01 -0.04 -0.07 -0.04 1.90 1.74 1z7dC1 ARG 375 HB3 0.02 -0.01 0.05 -0.04 1.80 1.82 1z7dC1 ARG 375 HG2 0.12 -0.04 -0.00 -0.04 1.67 1.71 1z7dC1 ARG 375 HG3 0.05 0.21 0.02 -0.04 1.67 1.91 1z7dC1 ARG 375 HD2 0.02 -0.02 0.16 -0.04 3.22 3.34 1z7dC1 ARG 375 HD3 0.02 -0.02 0.09 -0.04 3.22 3.27 1z7dC1 ASP 376 H 0.01 0.13 0.16 -0.55 8.40 8.15 1z7dC1 ASP 376 HA 0.05 0.30 1.16 -0.75 4.63 5.38 1z7dC1 ASP 376 HB2 0.04 0.06 -0.17 -0.04 2.71 2.60 1z7dC1 ASP 376 HB3 0.00 0.01 -0.11 -0.04 2.70 2.57 1z7dC1 VAL 377 H 0.05 0.99 0.41 -0.55 8.24 9.14 1z7dC1 VAL 377 HA -0.10 0.13 0.95 -0.75 4.13 4.36 1z7dC1 VAL 377 HB 0.08 0.01 -0.01 -0.04 2.12 2.17 1z7dC1 VAL 377 HG13 -0.32 0.05 0.07 -0.04 0.97 0.73 1z7dC1 VAL 377 HG23 0.05 0.05 -0.07 -0.04 0.95 0.94 1z7dC1 HIS 378 H -0.28 0.19 0.15 -0.55 8.41 7.92 1z7dC1 HIS 378 HA 0.02 0.06 0.33 -0.75 4.63 4.28 1z7dC1 HIS 378 HB2 0.02 0.07 -0.08 -0.04 3.26 3.24 1z7dC1 HIS 378 HB3 0.02 0.06 0.16 -0.04 3.20 3.40 1z7dC1 HIS 378 HD2 0.01 0.01 0.04 -0.04 6.97 6.98 1z7dC1 HIS 378 HE1 0.00 0.13 0.06 -0.04 7.75 7.89 1z7dC1 ASP 379 H 0.03 0.07 -0.17 -0.55 8.40 7.78 1z7dC1 ASP 379 HA 0.02 -0.07 0.07 -0.75 4.63 3.91 1z7dC1 ASP 379 HB2 0.02 -0.02 0.08 -0.04 2.71 2.76 1z7dC1 ASP 379 HB3 0.03 0.13 0.20 -0.04 2.70 3.02 1z7dC1 LYS 380 H 0.10 0.47 -0.33 -0.55 8.42 8.10 1z7dC1 LYS 380 HA 0.11 0.15 1.04 -0.75 4.32 4.86 1z7dC1 LYS 380 HB2 0.12 0.02 0.15 -0.04 1.87 2.11 1z7dC1 LYS 380 HB3 0.08 -0.06 0.10 -0.04 1.79 1.87 1z7dC1 LYS 380 HG2 0.07 -0.03 0.12 -0.04 1.46 1.57 1z7dC1 LYS 380 HG3 0.08 0.28 0.02 -0.04 1.46 1.80 1z7dC1 LYS 380 HD2 0.03 -0.01 0.05 -0.04 1.69 1.72 1z7dC1 LYS 380 HD3 0.04 -0.01 0.10 -0.04 1.68 1.77 1z7dC1 LYS 380 HE2 0.03 0.02 0.05 -0.04 2.99 3.05 1z7dC1 LYS 380 HE3 0.01 -0.01 0.03 -0.04 2.99 2.98 1z7dC1 THR 381 H 0.11 0.51 0.30 -0.55 8.28 8.65 1z7dC1 THR 381 HA 0.13 0.31 0.95 -0.75 4.39 5.03 1z7dC1 THR 381 HB 0.10 -0.10 0.11 -0.04 4.32 4.38 1z7dC1 THR 381 HG23 0.05 0.05 -0.30 -0.04 1.22 0.97 1z7dC1 ILE 382 H 0.17 0.78 0.39 -0.55 8.25 9.04 1z7dC1 ILE 382 HA 0.09 0.09 1.03 -0.75 4.18 4.64 1z7dC1 ILE 382 HB 0.28 0.05 0.13 -0.04 1.89 2.30 1z7dC1 ILE 382 HG12 0.04 -0.06 -0.16 -0.04 1.49 1.27 1z7dC1 ILE 382 HG13 0.15 -0.07 -0.28 -0.04 1.21 0.97 1z7dC1 ILE 382 HG23 0.09 0.01 -0.20 -0.04 0.93 0.80 1z7dC1 ILE 382 HD13 -0.02 0.03 -0.11 -0.04 0.88 0.74 1z7dC1 ARG 383 H 0.07 0.37 0.29 -0.55 8.46 8.63 1z7dC1 ARG 383 HA 0.07 0.13 0.61 -0.75 4.34 4.40 1z7dC1 ARG 383 HB2 0.02 -0.08 0.17 -0.04 1.90 1.97 1z7dC1 ARG 383 HB3 0.03 0.05 0.06 -0.04 1.80 1.90 1z7dC1 ARG 383 HG2 0.07 -0.01 -0.02 -0.04 1.67 1.67 1z7dC1 ARG 383 HG3 0.05 0.24 0.17 -0.04 1.67 2.09 1z7dC1 ARG 383 HD2 0.11 -0.05 -0.02 -0.04 3.22 3.21 1z7dC1 ARG 383 HD3 -0.06 -0.01 0.05 -0.04 3.22 3.16 1z7dC1 LEU 384 H 0.11 0.91 0.27 -0.55 8.37 9.11 1z7dC1 LEU 384 HA 0.39 0.11 0.81 -0.75 4.35 4.91 1z7dC1 LEU 384 HB2 0.26 -0.06 -0.07 -0.04 1.64 1.73 1z7dC1 LEU 384 HB3 0.56 -0.02 -0.02 -0.04 1.64 2.12 1z7dC1 LEU 384 HG 0.15 -0.01 -0.37 -0.04 1.64 1.38 1z7dC1 LEU 384 HD13 0.17 -0.01 -0.17 -0.04 0.93 0.88 1z7dC1 LEU 384 HD23 0.18 0.07 -0.18 -0.04 0.89 0.93 1z7dC1 THR 385 H -0.02 0.54 -0.04 -0.55 8.28 8.20 1z7dC1 THR 385 HA -0.15 0.43 0.91 -0.75 4.39 4.83 1z7dC1 THR 385 HB -0.03 0.01 -0.03 -0.04 4.32 4.23 1z7dC1 THR 385 HG23 -0.06 -0.09 -0.05 -0.04 1.22 0.98 1z7dC1 PRO 386 HA -0.38 0.25 0.61 -0.51 4.44 4.42 1z7dC1 PRO 386 HB2 -0.47 0.03 0.08 -0.04 2.28 1.88 1z7dC1 PRO 386 HB3 -1.64 -0.05 0.04 -0.04 2.02 0.33 1z7dC1 PRO 386 HG2 -0.43 0.09 -0.07 -0.04 2.03 1.57 1z7dC1 PRO 386 HG3 -0.82 -0.01 -0.04 -0.04 2.03 1.12 1z7dC1 PRO 386 HD2 -0.35 0.29 0.12 -0.04 3.68 3.69 1z7dC1 PRO 386 HD3 -0.86 0.04 -0.17 -0.04 3.65 2.62 1z7dC1 PRO 387 HA -0.12 0.08 0.59 -0.51 4.44 4.48 1z7dC1 PRO 387 HB2 -0.08 -0.12 -0.09 -0.04 2.28 1.96 1z7dC1 PRO 387 HB3 -0.08 0.06 0.08 -0.04 2.02 2.04 1z7dC1 PRO 387 HG2 -0.04 0.09 0.09 -0.04 2.03 2.13 1z7dC1 PRO 387 HG3 -0.13 -0.01 0.08 -0.04 2.03 1.93 1z7dC1 PRO 387 HD2 -0.13 0.04 0.29 -0.04 3.68 3.84 1z7dC1 PRO 387 HD3 -0.12 0.30 0.33 -0.04 3.65 4.12 1z7dC1 LEU 388 H -0.07 0.64 0.33 -0.55 8.37 8.73 1z7dC1 LEU 388 HA -0.09 0.13 0.29 -0.75 4.35 3.93 1z7dC1 LEU 388 HB2 -0.03 0.02 0.05 -0.04 1.64 1.64 1z7dC1 LEU 388 HB3 -0.04 0.04 0.12 -0.04 1.64 1.72 1z7dC1 LEU 388 HG -0.06 -0.05 0.17 -0.04 1.64 1.66 1z7dC1 LEU 388 HD13 -0.03 -0.01 -0.15 -0.04 0.93 0.70 1z7dC1 LEU 388 HD23 -0.06 0.03 -0.08 -0.04 0.89 0.74 1z7dC1 CYS 389 H -0.05 0.03 -0.48 -0.55 8.50 7.45 1z7dC1 CYS 389 HA -0.01 0.21 0.62 -0.75 4.58 4.64 1z7dC1 CYS 389 HB2 0.01 -0.02 0.12 -0.04 2.97 3.04 1z7dC1 CYS 389 HB3 0.02 0.05 -0.03 -0.04 2.97 2.96 1z7dC1 ILE 390 H -0.08 0.29 -0.47 -0.55 8.25 7.43 1z7dC1 ILE 390 HA -0.05 -0.06 0.50 -0.75 4.18 3.82 1z7dC1 ILE 390 HB -0.14 0.12 0.05 -0.04 1.89 1.88 1z7dC1 ILE 390 HG12 -0.10 0.06 -0.08 -0.04 1.49 1.33 1z7dC1 ILE 390 HG13 -0.02 -0.14 0.08 -0.04 1.21 1.08 1z7dC1 ILE 390 HG23 -0.17 0.01 -0.15 -0.04 0.93 0.58 1z7dC1 ILE 390 HD13 -0.14 0.01 -0.08 -0.04 0.88 0.62 1z7dC1 THR 391 H 0.00 0.00 0.17 -0.55 8.28 7.90 1z7dC1 THR 391 HA -0.01 0.34 0.83 -0.75 4.39 4.81 1z7dC1 THR 391 HB 0.02 -0.04 0.20 -0.04 4.32 4.46 1z7dC1 THR 391 HG23 0.02 0.06 0.02 -0.04 1.22 1.28 1z7dC1 LYS 392 H 0.01 0.22 0.17 -0.55 8.42 8.26 1z7dC1 LYS 392 HA 0.00 0.16 0.43 -0.75 4.32 4.16 1z7dC1 LYS 392 HB2 0.02 0.08 0.13 -0.04 1.87 2.06 1z7dC1 LYS 392 HB3 0.02 -0.03 0.11 -0.04 1.79 1.85 1z7dC1 LYS 392 HG2 0.04 -0.03 -0.14 -0.04 1.46 1.28 1z7dC1 LYS 392 HG3 0.04 0.04 0.05 -0.04 1.46 1.55 1z7dC1 LYS 392 HD2 0.03 0.06 0.00 -0.04 1.69 1.74 1z7dC1 LYS 392 HD3 0.03 -0.01 -0.01 -0.04 1.68 1.64 1z7dC1 LYS 392 HE2 0.03 -0.03 -0.05 -0.04 2.99 2.91 1z7dC1 LYS 392 HE3 0.04 0.03 -0.02 -0.04 2.99 2.99 1z7dC1 GLU 393 H 0.03 0.08 -0.11 -0.55 8.60 8.05 1z7dC1 GLU 393 HA 0.04 0.14 0.36 -0.75 4.29 4.07 1z7dC1 GLU 393 HB2 0.06 0.07 -0.05 -0.04 2.09 2.13 1z7dC1 GLU 393 HB3 0.04 0.07 0.07 -0.04 1.99 2.13 1z7dC1 GLU 393 HG2 0.05 -0.16 0.06 -0.04 2.34 2.25 1z7dC1 GLU 393 HG3 0.05 0.10 0.02 -0.04 2.34 2.47 1z7dC1 GLN 394 H 0.05 0.03 -0.21 -0.55 8.47 7.79 1z7dC1 GLN 394 HA 0.13 0.10 0.51 -0.75 4.36 4.34 1z7dC1 GLN 394 HB2 0.05 -0.03 0.15 -0.04 2.15 2.28 1z7dC1 GLN 394 HB3 0.17 0.07 0.01 -0.04 2.02 2.24 1z7dC1 GLN 394 HG2 0.40 0.07 0.04 -0.04 2.40 2.88 1z7dC1 GLN 394 HG3 0.17 -0.05 0.04 -0.04 2.39 2.50 1z7dC1 GLN 394 HE21 0.08 0.02 0.04 -0.04 6.97 7.07 1z7dC1 GLN 394 HE22 0.29 0.04 0.02 -0.04 7.69 8.00 1z7dC1 LEU 395 H -0.04 0.50 -0.19 -0.55 8.37 8.09 1z7dC1 LEU 395 HA -0.15 0.02 0.43 -0.75 4.35 3.89 1z7dC1 LEU 395 HB2 -0.07 0.10 0.15 -0.04 1.64 1.77 1z7dC1 LEU 395 HB3 0.01 0.02 -0.06 -0.04 1.64 1.57 1z7dC1 LEU 395 HG -0.80 0.00 -0.05 -0.04 1.64 0.75 1z7dC1 LEU 395 HD13 -0.56 -0.01 -0.07 -0.04 0.93 0.24 1z7dC1 LEU 395 HD23 -0.16 0.03 -0.19 -0.04 0.89 0.52 1z7dC1 ASP 396 H 0.03 0.44 -0.24 -0.55 8.40 8.08 1z7dC1 ASP 396 HA 0.09 0.04 0.46 -0.75 4.63 4.46 1z7dC1 ASP 396 HB2 0.04 0.13 0.20 -0.04 2.71 3.03 1z7dC1 ASP 396 HB3 0.04 -0.03 -0.01 -0.04 2.70 2.67 1z7dC1 GLU 397 H 0.02 0.48 -0.07 -0.55 8.60 8.48 1z7dC1 GLU 397 HA 0.02 0.04 0.54 -0.75 4.29 4.14 1z7dC1 GLU 397 HB2 0.08 0.00 0.14 -0.04 2.09 2.27 1z7dC1 GLU 397 HB3 0.03 0.08 0.17 -0.04 1.99 2.22 1z7dC1 GLU 397 HG2 0.07 0.01 -0.15 -0.04 2.34 2.23 1z7dC1 GLU 397 HG3 0.07 -0.01 0.05 -0.04 2.34 2.41 1z7dC1 CYS 398 H -0.15 0.61 -0.12 -0.55 8.50 8.28 1z7dC1 CYS 398 HA -0.27 0.04 0.47 -0.75 4.58 4.07 1z7dC1 CYS 398 HB2 -0.10 0.10 0.11 -0.04 2.97 3.04 1z7dC1 CYS 398 HB3 -0.40 -0.04 -0.05 -0.04 2.97 2.44 1z7dC1 THR 399 H 0.08 0.56 -0.21 -0.55 8.28 8.17 1z7dC1 THR 399 HA 0.10 -0.00 0.45 -0.75 4.39 4.19 1z7dC1 THR 399 HB 0.09 0.14 0.17 -0.04 4.32 4.67 1z7dC1 THR 399 HG23 0.01 -0.02 -0.09 -0.04 1.22 1.08 1z7dC1 GLU 400 H 0.02 0.46 -0.22 -0.55 8.60 8.32 1z7dC1 GLU 400 HA 0.02 0.01 0.45 -0.75 4.29 4.02 1z7dC1 GLU 400 HB2 0.02 0.12 0.17 -0.04 2.09 2.36 1z7dC1 GLU 400 HB3 0.02 -0.04 0.03 -0.04 1.99 1.97 1z7dC1 GLU 400 HG2 0.03 0.12 0.05 -0.04 2.34 2.50 1z7dC1 GLU 400 HG3 0.02 -0.04 0.02 -0.04 2.34 2.31 1z7dC1 ILE 401 H -0.03 0.38 -0.25 -0.55 8.25 7.81 1z7dC1 ILE 401 HA 0.00 0.05 0.49 -0.75 4.18 3.97 1z7dC1 ILE 401 HB -0.09 0.03 0.17 -0.04 1.89 1.95 1z7dC1 ILE 401 HG12 0.02 0.05 0.08 -0.04 1.49 1.60 1z7dC1 ILE 401 HG13 0.01 0.03 0.06 -0.04 1.21 1.27 1z7dC1 ILE 401 HG23 -0.02 -0.02 -0.18 -0.04 0.93 0.67 1z7dC1 ILE 401 HD13 0.06 -0.03 -0.04 -0.04 0.88 0.82 1z7dC1 ILE 402 H -0.04 0.63 -0.07 -0.55 8.25 8.22 1z7dC1 ILE 402 HA 0.01 -0.01 0.35 -0.75 4.18 3.78 1z7dC1 ILE 402 HB 0.01 0.12 0.15 -0.04 1.89 2.12 1z7dC1 ILE 402 HG12 -0.04 -0.06 -0.05 -0.04 1.49 1.29 1z7dC1 ILE 402 HG13 -0.14 0.02 0.01 -0.04 1.21 1.05 1z7dC1 ILE 402 HG23 0.05 -0.02 -0.19 -0.04 0.93 0.74 1z7dC1 ILE 402 HD13 0.00 -0.01 -0.15 -0.04 0.88 0.68 1z7dC1 VAL 403 H 0.02 0.69 -0.08 -0.55 8.24 8.32 1z7dC1 VAL 403 HA 0.05 0.00 0.35 -0.75 4.13 3.79 1z7dC1 VAL 403 HB 0.03 0.04 0.10 -0.04 2.12 2.24 1z7dC1 VAL 403 HG13 0.03 -0.01 -0.09 -0.04 0.97 0.86 1z7dC1 VAL 403 HG23 0.01 0.08 0.01 -0.04 0.95 1.00 1z7dC1 LYS 404 H 0.04 0.54 -0.22 -0.55 8.42 8.22 1z7dC1 LYS 404 HA 0.06 0.00 0.40 -0.75 4.32 4.03 1z7dC1 LYS 404 HB2 0.04 -0.07 0.08 -0.04 1.87 1.88 1z7dC1 LYS 404 HB3 0.03 0.08 0.14 -0.04 1.79 2.01 1z7dC1 LYS 404 HG2 0.02 0.19 0.20 -0.04 1.46 1.84 1z7dC1 LYS 404 HG3 0.03 -0.02 -0.20 -0.04 1.46 1.22 1z7dC1 LYS 404 HD2 0.01 -0.06 -0.02 -0.04 1.69 1.58 1z7dC1 LYS 404 HD3 0.02 -0.03 -0.00 -0.04 1.68 1.62 1z7dC1 LYS 404 HE2 0.01 -0.00 0.05 -0.04 2.99 3.01 1z7dC1 LYS 404 HE3 0.00 -0.00 0.03 -0.04 2.99 2.98 1z7dC1 THR 405 H 0.07 0.47 -0.27 -0.55 8.28 8.00 1z7dC1 THR 405 HA 0.12 0.02 0.43 -0.75 4.39 4.20 1z7dC1 THR 405 HB 0.08 0.10 0.14 -0.04 4.32 4.60 1z7dC1 THR 405 HG23 0.13 -0.04 -0.11 -0.04 1.22 1.15 1z7dC1 VAL 406 H 0.14 0.62 -0.07 -0.55 8.24 8.38 1z7dC1 VAL 406 HA 0.23 -0.03 0.27 -0.75 4.13 3.85 1z7dC1 VAL 406 HB 0.14 0.14 0.12 -0.04 2.12 2.49 1z7dC1 VAL 406 HG13 0.21 -0.02 -0.17 -0.04 0.97 0.95 1z7dC1 VAL 406 HG23 0.28 0.02 -0.03 -0.04 0.95 1.17 1z7dC1 LYS 407 H 0.13 0.57 -0.20 -0.55 8.42 8.37 1z7dC1 LYS 407 HA 0.09 -0.05 0.42 -0.75 4.32 4.03 1z7dC1 LYS 407 HB2 0.08 0.13 0.12 -0.04 1.87 2.16 1z7dC1 LYS 407 HB3 0.06 -0.05 0.01 -0.04 1.79 1.77 1z7dC1 LYS 407 HG2 0.05 -0.08 0.03 -0.04 1.46 1.42 1z7dC1 LYS 407 HG3 0.07 0.08 0.04 -0.04 1.46 1.61 1z7dC1 LYS 407 HD2 0.04 0.00 -0.09 -0.04 1.69 1.60 1z7dC1 LYS 407 HD3 0.03 -0.05 -0.01 -0.04 1.68 1.61 1z7dC1 LYS 407 HE2 0.03 -0.04 -0.01 -0.04 2.99 2.93 1z7dC1 LYS 407 HE3 0.03 0.06 -0.01 -0.04 2.99 3.03 1z7dC1 PHE 408 H 0.24 0.41 -0.35 -0.55 8.34 8.09 1z7dC1 PHE 408 HA -0.08 0.01 0.48 -0.75 4.62 4.27 1z7dC1 PHE 408 HB2 -0.08 0.01 0.14 -0.04 3.15 3.18 1z7dC1 PHE 408 HB3 -0.12 0.20 0.15 -0.04 3.06 3.25 1z7dC1 PHE 408 HD2 -0.86 0.01 -0.12 -0.04 7.28 6.27 1z7dC1 PHE 408 HE2 -0.34 -0.04 -0.02 -0.04 7.38 6.93 1z7dC1 PHE 408 HZ -0.16 -0.04 -0.01 -0.04 7.32 7.06 1z7dC1 PHE 409 H 0.34 0.33 -0.28 -0.55 8.34 8.18 1z7dC1 PHE 409 HA -0.06 0.11 0.65 -0.75 4.62 4.56 1z7dC1 PHE 409 HB2 0.03 0.09 0.03 -0.04 3.15 3.26 1z7dC1 PHE 409 HB3 -0.00 -0.09 0.09 -0.04 3.06 3.02 1z7dC1 PHE 409 HD2 0.08 0.17 -0.00 -0.04 7.28 7.48 1z7dC1 PHE 409 HE2 0.05 -0.05 -0.06 -0.04 7.38 7.28 1z7dC1 PHE 409 HZ 0.03 0.07 -0.25 -0.04 7.32 7.14 1z7dC1 ASP 410 H 0.05 0.29 -0.55 -0.55 8.40 7.64 1z7dC1 ASP 410 HA 0.08 0.07 0.49 -0.75 4.63 4.51 1z7dC1 ASP 410 HB2 0.10 0.11 -0.02 -0.04 2.71 2.87 1z7dC1 ASP 410 HB3 0.04 0.16 0.14 -0.04 2.70 3.01