============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 105.486 48.161 98.139 -99.200 -91.000 TYR 9 0.840 104.139 63.578 95.854 -99.200 -91.000 TRP 11 1.040 108.295 69.149 97.892 -99.200 -91.000 TRP6 11 1.020 107.238 70.491 99.525 -99.200 -91.000 HIS 21 0.900 112.013 63.319 94.407 -99.200 -91.000 TYR 25 0.840 111.605 54.049 99.052 -99.200 -91.000 PHE 53 1.000 104.573 55.895 106.859 -99.200 -91.000 TYR 92 0.840 101.391 58.892 92.510 -99.200 -91.000 HIS 96 0.900 92.812 70.319 93.760 -99.200 -91.000 TYR 98 0.840 97.346 74.114 98.703 -99.200 -91.000 PHE 110 1.000 87.832 65.688 105.881 -99.200 -91.000 TYR 111 0.840 91.170 67.184 110.361 -99.200 -91.000 TYR 114 0.840 83.000 66.519 111.840 -99.200 -91.000 TYR 120 0.840 77.657 71.370 118.054 -99.200 -91.000 TYR 134 0.840 68.367 64.208 125.531 -99.200 -91.000 TYR 148 0.840 77.274 54.091 114.294 -99.200 -91.000 TYR 163 0.840 86.830 68.596 99.392 -99.200 -91.000 TRP 164 1.040 89.898 65.727 93.192 -99.200 -91.000 TRP6 164 1.020 90.251 64.313 91.329 -99.200 -91.000 TRP 165 1.040 87.251 70.131 88.871 -99.200 -91.000 TRP6 165 1.020 89.569 69.757 88.580 -99.200 -91.000 TYR 170 0.840 80.905 69.440 97.050 -99.200 -91.000 TYR 180 0.840 70.652 61.560 105.454 -99.200 -91.000 TRP 182 1.040 75.620 65.296 113.742 -99.200 -91.000 TRP6 182 1.020 75.278 64.517 115.943 -99.200 -91.000 PHE 190 1.000 68.531 74.122 117.145 -99.200 -91.000 PHE 202 1.000 80.245 78.002 94.505 -99.200 -91.000 TYR 205 0.840 71.405 72.339 95.971 -99.200 -91.000 HIS 208 0.900 77.710 69.126 89.245 -99.200 -91.000 TYR 237 0.840 64.055 73.345 104.203 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zp0B1 PRO 9 HA 0.01 -0.15 0.20 -0.51 4.44 3.99 1zp0B1 PRO 9 HB2 0.01 -0.00 0.02 -0.04 2.28 2.27 1zp0B1 PRO 9 HB3 0.01 -0.03 -0.02 -0.04 2.02 1.94 1zp0B1 PRO 9 HG2 0.01 0.01 0.02 -0.04 2.03 2.03 1zp0B1 PRO 9 HG3 0.01 0.00 0.02 -0.04 2.03 2.02 1zp0B1 PRO 9 HD2 0.01 0.00 0.05 -0.04 3.68 3.70 1zp0B1 PRO 9 HD3 0.01 0.01 0.02 -0.04 3.65 3.65 1zp0B1 ARG 10 H 0.02 0.05 0.00 -0.55 8.46 7.97 1zp0B1 ARG 10 HA 0.01 0.23 0.91 -0.75 4.34 4.73 1zp0B1 ARG 10 HB2 0.02 -0.11 0.09 -0.04 1.90 1.85 1zp0B1 ARG 10 HB3 0.01 0.06 0.05 -0.04 1.80 1.88 1zp0B1 ARG 10 HG2 0.01 0.03 0.02 -0.04 1.67 1.69 1zp0B1 ARG 10 HG3 0.01 0.17 -0.30 -0.04 1.67 1.50 1zp0B1 ARG 10 HD2 0.01 0.02 -0.05 -0.04 3.22 3.16 1zp0B1 ARG 10 HD3 0.01 -0.03 -0.11 -0.04 3.22 3.05 1zp0B1 ILE 11 H 0.01 0.20 0.04 -0.55 8.25 7.95 1zp0B1 ILE 11 HA 0.04 0.17 0.59 -0.75 4.18 4.22 1zp0B1 ILE 11 HB 0.01 0.04 0.03 -0.04 1.89 1.93 1zp0B1 ILE 11 HG12 0.02 -0.02 -0.07 -0.04 1.49 1.37 1zp0B1 ILE 11 HG13 0.02 0.05 -0.08 -0.04 1.21 1.16 1zp0B1 ILE 11 HG23 0.04 0.00 -0.19 -0.04 0.93 0.74 1zp0B1 ILE 11 HD13 0.03 -0.02 -0.24 -0.04 0.88 0.62 1zp0B1 LYS 12 H 0.06 0.48 0.39 -0.55 8.42 8.80 1zp0B1 LYS 12 HA -0.07 0.21 0.92 -0.75 4.32 4.62 1zp0B1 LYS 12 HB2 -0.01 0.00 -0.06 -0.04 1.87 1.77 1zp0B1 LYS 12 HB3 0.11 -0.04 0.12 -0.04 1.79 1.94 1zp0B1 LYS 12 HG2 -0.24 -0.09 -0.10 -0.04 1.46 0.98 1zp0B1 LYS 12 HG3 -0.82 0.08 -0.24 -0.04 1.46 0.43 1zp0B1 LYS 12 HD2 -0.19 0.03 0.13 -0.04 1.69 1.61 1zp0B1 LYS 12 HD3 -0.12 0.02 -0.11 -0.04 1.68 1.44 1zp0B1 LYS 12 HE2 -0.25 -0.21 0.01 -0.04 2.99 2.50 1zp0B1 LYS 12 HE3 -0.46 -0.08 0.10 -0.04 2.99 2.51 1zp0B1 LYS 13 H -0.16 0.30 0.20 -0.55 8.42 8.21 1zp0B1 LYS 13 HA 0.01 0.22 0.91 -0.75 4.32 4.71 1zp0B1 LYS 13 HB2 -0.08 0.11 0.12 -0.04 1.87 1.97 1zp0B1 LYS 13 HB3 -0.05 -0.04 -0.05 -0.04 1.79 1.61 1zp0B1 LYS 13 HG2 0.01 0.01 -0.06 -0.04 1.46 1.38 1zp0B1 LYS 13 HG3 -0.02 0.01 -0.09 -0.04 1.46 1.32 1zp0B1 LYS 13 HD2 -0.02 0.06 -0.06 -0.04 1.69 1.63 1zp0B1 LYS 13 HD3 -0.01 -0.03 -0.07 -0.04 1.68 1.52 1zp0B1 LYS 13 HE2 -0.00 -0.01 -0.09 -0.04 2.99 2.84 1zp0B1 LYS 13 HE3 -0.01 0.00 -0.07 -0.04 2.99 2.88 1zp0B1 PHE 14 H 0.18 0.66 0.38 -0.55 8.34 9.00 1zp0B1 PHE 14 HA 0.03 0.19 1.01 -0.75 4.62 5.10 1zp0B1 PHE 14 HB2 0.11 -0.00 0.09 -0.04 3.15 3.31 1zp0B1 PHE 14 HB3 0.06 0.01 -0.09 -0.04 3.06 3.01 1zp0B1 PHE 14 HD2 0.01 0.05 -0.17 -0.04 7.28 7.13 1zp0B1 PHE 14 HE2 -0.01 -0.04 -0.10 -0.04 7.38 7.19 1zp0B1 PHE 14 HZ -0.01 -0.02 -0.11 -0.04 7.32 7.14 1zp0B1 ALA 15 H 0.09 0.91 0.25 -0.55 8.40 9.10 1zp0B1 ALA 15 HA 0.04 0.10 0.69 -0.75 4.34 4.42 1zp0B1 ALA 15 HB3 0.02 -0.01 0.02 -0.04 1.41 1.40 1zp0B1 ILE 16 H 0.06 0.67 0.28 -0.55 8.25 8.70 1zp0B1 ILE 16 HA -0.04 0.20 1.23 -0.75 4.18 4.82 1zp0B1 ILE 16 HB 0.27 0.05 0.11 -0.04 1.89 2.27 1zp0B1 ILE 16 HG12 0.04 -0.02 -0.13 -0.04 1.49 1.34 1zp0B1 ILE 16 HG13 0.20 -0.08 -0.59 -0.04 1.21 0.71 1zp0B1 ILE 16 HG23 0.02 0.08 -0.04 -0.04 0.93 0.94 1zp0B1 ILE 16 HD13 -0.13 -0.01 -0.10 -0.04 0.88 0.60 1zp0B1 TYR 17 H -0.08 0.53 0.33 -0.55 8.29 8.52 1zp0B1 TYR 17 HA -0.20 0.05 0.48 -0.75 4.56 4.13 1zp0B1 TYR 17 HB2 -0.46 -0.01 0.18 -0.04 3.06 2.74 1zp0B1 TYR 17 HB3 -0.14 -0.01 0.16 -0.04 2.98 2.95 1zp0B1 TYR 17 HD2 0.03 -0.06 -0.25 -0.04 7.15 6.83 1zp0B1 TYR 17 HE2 0.07 -0.02 -0.08 -0.04 6.85 6.78 1zp0B1 ARG 18 H -0.77 0.31 0.37 -0.55 8.46 7.82 1zp0B1 ARG 18 HA 0.02 0.02 0.75 -0.75 4.34 4.37 1zp0B1 ARG 18 HB2 -0.65 0.09 0.04 -0.04 1.90 1.34 1zp0B1 ARG 18 HB3 -0.15 -0.09 0.05 -0.04 1.80 1.56 1zp0B1 ARG 18 HG2 -0.08 0.13 -0.68 -0.04 1.67 0.99 1zp0B1 ARG 18 HG3 -0.04 -0.05 -0.09 -0.04 1.67 1.44 1zp0B1 ARG 18 HD2 0.05 -0.09 0.20 -0.04 3.22 3.33 1zp0B1 ARG 18 HD3 0.09 0.03 -0.05 -0.04 3.22 3.25 1zp0B1 TRP 19 H 0.08 0.14 0.11 -0.55 7.97 7.76 1zp0B1 TRP 19 HA -0.04 0.09 0.33 -0.75 4.62 4.25 1zp0B1 TRP 19 HB2 -0.10 0.16 -0.02 -0.04 3.23 3.23 1zp0B1 TRP 19 HB3 0.10 -0.10 -0.04 -0.04 3.23 3.15 1zp0B1 TRP 19 HD1 0.03 -0.06 -0.41 -0.04 7.22 6.74 1zp0B1 TRP 19 HE1 0.04 0.32 -0.12 -0.04 10.20 10.40 1zp0B1 TRP 19 HE3 0.10 -0.15 -0.31 -0.04 7.59 7.18 1zp0B1 TRP 19 HZ2 0.04 0.00 -0.04 -0.04 7.44 7.40 1zp0B1 TRP 19 HZ3 0.07 0.19 -0.13 -0.04 7.13 7.22 1zp0B1 TRP 19 HH2 0.05 -0.02 -0.00 -0.04 7.19 7.18 1zp0B1 ASP 20 H -0.43 0.22 0.04 -0.55 8.40 7.68 1zp0B1 ASP 20 HA -0.41 0.22 0.90 -0.75 4.63 4.58 1zp0B1 ASP 20 HB2 -0.15 0.01 0.02 -0.04 2.71 2.55 1zp0B1 ASP 20 HB3 -0.24 0.03 0.12 -0.04 2.70 2.57 1zp0B1 PRO 21 HA -0.98 0.11 0.45 -0.51 4.44 3.51 1zp0B1 PRO 21 HB2 -0.19 -0.03 0.05 -0.04 2.28 2.07 1zp0B1 PRO 21 HB3 -0.15 0.03 0.12 -0.04 2.02 1.99 1zp0B1 PRO 21 HG2 -0.11 0.23 0.27 -0.04 2.03 2.39 1zp0B1 PRO 21 HG3 -0.63 0.08 0.06 -0.04 2.03 1.49 1zp0B1 PRO 21 HD2 -0.29 0.03 0.29 -0.04 3.68 3.67 1zp0B1 PRO 21 HD3 -0.48 0.31 0.44 -0.04 3.65 3.89 1zp0B1 ASP 22 H -0.26 0.11 -0.23 -0.55 8.40 7.47 1zp0B1 ASP 22 HA -0.10 0.20 0.74 -0.75 4.63 4.72 1zp0B1 ASP 22 HB2 -0.10 0.00 0.08 -0.04 2.71 2.65 1zp0B1 ASP 22 HB3 -0.06 0.01 0.19 -0.04 2.70 2.79 1zp0B1 LYS 23 H -0.21 0.38 -0.69 -0.55 8.42 7.35 1zp0B1 LYS 23 HA -0.06 0.15 0.82 -0.75 4.32 4.47 1zp0B1 LYS 23 HB2 -0.11 -0.05 -0.12 -0.04 1.87 1.55 1zp0B1 LYS 23 HB3 -0.14 0.03 0.16 -0.04 1.79 1.80 1zp0B1 LYS 23 HG2 -0.04 0.11 -0.09 -0.04 1.46 1.40 1zp0B1 LYS 23 HG3 -0.04 0.01 0.03 -0.04 1.46 1.41 1zp0B1 LYS 23 HD2 -0.04 -0.02 -0.01 -0.04 1.69 1.58 1zp0B1 LYS 23 HD3 -0.03 -0.05 0.02 -0.04 1.68 1.57 1zp0B1 LYS 23 HE2 -0.03 0.04 -0.02 -0.04 2.99 2.94 1zp0B1 LYS 23 HE3 -0.03 0.00 -0.01 -0.04 2.99 2.91 1zp0B1 THR 24 H -0.03 0.13 -0.05 -0.55 8.28 7.79 1zp0B1 THR 24 HA 0.01 -0.00 0.35 -0.75 4.39 4.00 1zp0B1 THR 24 HB -0.00 0.01 0.05 -0.04 4.32 4.34 1zp0B1 THR 24 HG23 0.02 0.01 -0.05 -0.04 1.22 1.15 1zp0B1 GLY 25 H 0.06 0.09 0.17 -0.55 8.43 8.21 1zp0B1 GLY 25 HA2 0.08 -0.01 0.36 -0.51 4.01 3.93 1zp0B1 GLY 25 HA3 0.04 0.01 0.38 -0.51 4.01 3.94 1zp0B1 ASP 26 H 0.06 0.38 -0.26 -0.55 8.40 8.04 1zp0B1 ASP 26 HA 0.07 0.01 0.49 -0.75 4.63 4.44 1zp0B1 ASP 26 HB2 -0.04 0.24 0.18 -0.04 2.71 3.06 1zp0B1 ASP 26 HB3 -0.06 -0.01 0.08 -0.04 2.70 2.67 1zp0B1 LYS 27 H 0.16 0.17 0.21 -0.55 8.42 8.40 1zp0B1 LYS 27 HA 0.25 0.19 0.91 -0.75 4.32 4.92 1zp0B1 LYS 27 HB2 0.07 0.05 0.04 -0.04 1.87 1.98 1zp0B1 LYS 27 HB3 0.09 0.02 -0.01 -0.04 1.79 1.85 1zp0B1 LYS 27 HG2 0.05 0.05 0.09 -0.04 1.46 1.61 1zp0B1 LYS 27 HG3 0.05 -0.02 0.04 -0.04 1.46 1.49 1zp0B1 LYS 27 HD2 0.03 0.00 0.00 -0.04 1.69 1.68 1zp0B1 LYS 27 HD3 0.03 -0.00 0.01 -0.04 1.68 1.67 1zp0B1 LYS 27 HE2 -0.01 -0.02 0.02 -0.04 2.99 2.93 1zp0B1 LYS 27 HE3 0.00 -0.04 0.01 -0.04 2.99 2.93 1zp0B1 PRO 28 HA -0.12 0.26 0.60 -0.51 4.44 4.66 1zp0B1 PRO 28 HB2 -0.03 -0.02 0.12 -0.04 2.28 2.31 1zp0B1 PRO 28 HB3 -0.20 0.01 0.11 -0.04 2.02 1.89 1zp0B1 PRO 28 HG2 -0.15 0.01 0.10 -0.04 2.03 1.95 1zp0B1 PRO 28 HG3 -0.33 0.04 0.10 -0.04 2.03 1.80 1zp0B1 PRO 28 HD2 -0.03 0.08 0.21 -0.04 3.68 3.90 1zp0B1 PRO 28 HD3 -0.13 0.17 0.23 -0.04 3.65 3.89 1zp0B1 HIS 29 H -0.47 0.43 0.44 -0.55 8.41 8.26 1zp0B1 HIS 29 HA -0.08 0.07 0.66 -0.75 4.63 4.52 1zp0B1 HIS 29 HB2 -0.05 -0.03 0.11 -0.04 3.26 3.26 1zp0B1 HIS 29 HB3 -0.03 0.14 -0.10 -0.04 3.20 3.16 1zp0B1 HIS 29 HD2 -0.05 0.07 -0.28 -0.04 6.97 6.67 1zp0B1 HIS 29 HE1 -0.01 -0.10 -0.08 -0.04 7.75 7.51 1zp0B1 MET 30 H 0.02 0.14 0.16 -0.55 8.47 8.24 1zp0B1 MET 30 HA -0.15 0.31 0.75 -0.75 4.52 4.67 1zp0B1 MET 30 HB2 -0.00 -0.02 0.08 -0.04 2.15 2.17 1zp0B1 MET 30 HB3 -0.04 -0.02 -0.13 -0.04 2.03 1.79 1zp0B1 MET 30 HG2 0.01 -0.03 -0.07 -0.04 2.63 2.50 1zp0B1 MET 30 HG3 0.03 0.00 -0.09 -0.04 2.56 2.46 1zp0B1 MET 30 HE3 -0.28 0.00 -0.36 -0.04 2.10 1.42 1zp0B1 GLN 31 H -0.08 0.80 0.36 -0.55 8.47 9.00 1zp0B1 GLN 31 HA -0.09 0.12 0.93 -0.75 4.36 4.56 1zp0B1 GLN 31 HB2 -0.06 0.00 -0.05 -0.04 2.15 2.00 1zp0B1 GLN 31 HB3 -0.09 -0.00 0.11 -0.04 2.02 1.99 1zp0B1 GLN 31 HG2 -0.65 0.09 -0.12 -0.04 2.40 1.69 1zp0B1 GLN 31 HG3 -0.14 -0.01 0.05 -0.04 2.39 2.25 1zp0B1 GLN 31 HE21 0.10 -0.03 -0.05 -0.04 6.97 6.94 1zp0B1 GLN 31 HE22 0.08 0.01 -0.07 -0.04 7.69 7.67 1zp0B1 THR 32 H -0.18 0.14 0.16 -0.55 8.28 7.86 1zp0B1 THR 32 HA -0.04 0.38 1.01 -0.75 4.39 4.99 1zp0B1 THR 32 HB -0.08 -0.02 0.06 -0.04 4.32 4.24 1zp0B1 THR 32 HG23 0.01 -0.00 -0.16 -0.04 1.22 1.02 1zp0B1 TYR 33 H 0.20 0.67 0.47 -0.55 8.29 9.08 1zp0B1 TYR 33 HA 0.05 0.17 0.92 -0.75 4.56 4.94 1zp0B1 TYR 33 HB2 0.08 -0.03 0.04 -0.04 3.06 3.11 1zp0B1 TYR 33 HB3 0.04 -0.00 0.06 -0.04 2.98 3.03 1zp0B1 TYR 33 HD2 0.02 0.03 -0.02 -0.04 7.15 7.14 1zp0B1 TYR 33 HE2 -0.01 0.01 -0.06 -0.04 6.85 6.75 1zp0B1 GLU 34 H 0.17 0.22 0.19 -0.55 8.60 8.64 1zp0B1 GLU 34 HA 0.15 0.34 1.03 -0.75 4.29 5.06 1zp0B1 GLU 34 HB2 0.07 -0.03 -0.07 -0.04 2.09 2.02 1zp0B1 GLU 34 HB3 0.06 0.03 -0.07 -0.04 1.99 1.96 1zp0B1 GLU 34 HG2 0.07 -0.04 0.08 -0.04 2.34 2.41 1zp0B1 GLU 34 HG3 0.07 0.00 0.05 -0.04 2.34 2.42 1zp0B1 ILE 35 H 0.16 0.48 0.29 -0.55 8.25 8.63 1zp0B1 ILE 35 HA 0.08 0.16 0.88 -0.75 4.18 4.55 1zp0B1 ILE 35 HB 0.26 0.01 -0.03 -0.04 1.89 2.10 1zp0B1 ILE 35 HG12 0.15 -0.08 -0.67 -0.04 1.49 0.85 1zp0B1 ILE 35 HG13 -0.07 -0.01 -0.15 -0.04 1.21 0.94 1zp0B1 ILE 35 HG23 0.04 -0.01 -0.33 -0.04 0.93 0.59 1zp0B1 ILE 35 HD13 0.01 0.06 0.02 -0.04 0.88 0.94 1zp0B1 ASP 36 H 0.05 0.22 0.07 -0.55 8.40 8.19 1zp0B1 ASP 36 HA 0.04 0.16 0.45 -0.75 4.63 4.52 1zp0B1 ASP 36 HB2 0.03 0.06 0.07 -0.04 2.71 2.83 1zp0B1 ASP 36 HB3 0.03 0.04 0.21 -0.04 2.70 2.94 1zp0B1 LEU 37 H 0.05 0.80 0.38 -0.55 8.37 9.05 1zp0B1 LEU 37 HA 0.06 0.04 0.16 -0.75 4.35 3.85 1zp0B1 LEU 37 HB2 0.03 0.00 0.07 -0.04 1.64 1.71 1zp0B1 LEU 37 HB3 0.04 0.01 0.03 -0.04 1.64 1.68 1zp0B1 LEU 37 HG 0.06 0.12 0.03 -0.04 1.64 1.81 1zp0B1 LEU 37 HD13 0.03 0.00 -0.12 -0.04 0.93 0.80 1zp0B1 LEU 37 HD23 0.15 -0.02 -0.12 -0.04 0.89 0.86 1zp0B1 ASN 38 H 0.02 -0.05 -0.55 -0.55 8.53 7.41 1zp0B1 ASN 38 HA 0.02 0.15 0.58 -0.75 4.76 4.76 1zp0B1 ASN 38 HB2 0.02 -0.12 0.04 -0.04 2.88 2.78 1zp0B1 ASN 38 HB3 0.01 0.04 -0.03 -0.04 2.79 2.77 1zp0B1 ASN 38 HD21 0.01 0.00 -0.00 -0.04 7.03 7.00 1zp0B1 ASN 38 HD22 0.01 0.01 0.03 -0.04 7.74 7.75 1zp0B1 ASN 39 H 0.02 0.49 -0.11 -0.55 8.53 8.39 1zp0B1 ASN 39 HA 0.01 0.15 0.70 -0.75 4.76 4.86 1zp0B1 ASN 39 HB2 0.02 0.03 0.17 -0.04 2.88 3.05 1zp0B1 ASN 39 HB3 0.01 -0.01 0.20 -0.04 2.79 2.95 1zp0B1 ASN 39 HD21 0.01 -0.01 -0.00 -0.04 7.03 6.99 1zp0B1 ASN 39 HD22 0.01 -0.01 0.04 -0.04 7.74 7.75 1zp0B1 CYS 40 H 0.02 0.38 -0.60 -0.55 8.50 7.75 1zp0B1 CYS 40 HA 0.00 0.08 0.55 -0.75 4.58 4.45 1zp0B1 CYS 40 HB2 0.01 0.03 -0.40 -0.04 2.97 2.58 1zp0B1 CYS 40 HB3 0.03 0.06 -0.20 -0.04 2.97 2.82 1zp0B1 GLY 41 H -0.00 0.02 0.02 -0.55 8.43 7.93 1zp0B1 GLY 41 HA2 0.01 0.19 0.57 -0.51 4.01 4.27 1zp0B1 GLY 41 HA3 0.00 -0.08 0.34 -0.51 4.01 3.76 1zp0B1 PRO 42 HA 0.02 0.19 0.59 -0.51 4.44 4.73 1zp0B1 PRO 42 HB2 0.01 0.01 0.00 -0.04 2.28 2.26 1zp0B1 PRO 42 HB3 0.01 0.05 0.10 -0.04 2.02 2.14 1zp0B1 PRO 42 HG2 0.01 0.05 0.08 -0.04 2.03 2.12 1zp0B1 PRO 42 HG3 0.01 0.11 0.04 -0.04 2.03 2.15 1zp0B1 PRO 42 HD2 0.01 0.05 0.22 -0.04 3.68 3.92 1zp0B1 PRO 42 HD3 0.01 0.15 0.25 -0.04 3.65 4.01 1zp0B1 MET 43 H 0.01 0.05 -0.08 -0.55 8.47 7.90 1zp0B1 MET 43 HA 0.02 0.24 0.68 -0.75 4.52 4.71 1zp0B1 MET 43 HB2 0.00 -0.17 0.01 -0.04 2.15 1.95 1zp0B1 MET 43 HB3 0.00 0.05 -0.08 -0.04 2.03 1.97 1zp0B1 MET 43 HG2 0.01 -0.07 -0.04 -0.04 2.63 2.49 1zp0B1 MET 43 HG3 0.01 0.36 -0.09 -0.04 2.56 2.79 1zp0B1 MET 43 HE3 0.01 0.01 -0.02 -0.04 2.10 2.05 1zp0B1 VAL 44 H 0.01 0.72 0.28 -0.55 8.24 8.70 1zp0B1 VAL 44 HA 0.01 0.06 0.37 -0.75 4.13 3.81 1zp0B1 VAL 44 HB -0.01 0.03 0.21 -0.04 2.12 2.31 1zp0B1 VAL 44 HG13 -0.03 -0.01 -0.12 -0.04 0.97 0.77 1zp0B1 VAL 44 HG23 0.07 0.12 -0.04 -0.04 0.95 1.07 1zp0B1 LEU 45 H -0.03 0.46 -0.25 -0.55 8.37 8.00 1zp0B1 LEU 45 HA -0.13 0.09 0.30 -0.75 4.35 3.86 1zp0B1 LEU 45 HB2 -0.00 -0.16 -0.32 -0.04 1.64 1.11 1zp0B1 LEU 45 HB3 -0.00 0.04 -0.10 -0.04 1.64 1.53 1zp0B1 LEU 45 HG 0.05 0.07 -0.28 -0.04 1.64 1.45 1zp0B1 LEU 45 HD13 0.15 0.01 -0.05 -0.04 0.93 1.00 1zp0B1 LEU 45 HD23 0.05 -0.02 -0.04 -0.04 0.89 0.84 1zp0B1 ASP 46 H -0.03 0.16 -0.43 -0.55 8.40 7.55 1zp0B1 ASP 46 HA -0.02 0.05 0.32 -0.75 4.63 4.23 1zp0B1 ASP 46 HB2 -0.02 0.33 -0.02 -0.04 2.71 2.96 1zp0B1 ASP 46 HB3 -0.02 -0.12 0.05 -0.04 2.70 2.58 1zp0B1 ALA 47 H -0.13 0.32 -0.36 -0.55 8.40 7.68 1zp0B1 ALA 47 HA -0.19 0.03 0.36 -0.75 4.34 3.79 1zp0B1 ALA 47 HB3 -0.56 0.06 0.01 -0.04 1.41 0.89 1zp0B1 LEU 48 H -0.30 0.44 -0.13 -0.55 8.37 7.84 1zp0B1 LEU 48 HA -0.44 0.02 0.31 -0.75 4.35 3.48 1zp0B1 LEU 48 HB2 -0.43 0.06 0.13 -0.04 1.64 1.35 1zp0B1 LEU 48 HB3 -1.41 0.02 -0.10 -0.04 1.64 0.11 1zp0B1 LEU 48 HG -0.40 0.09 -0.02 -0.04 1.64 1.27 1zp0B1 LEU 48 HD13 -0.40 -0.04 -0.13 -0.04 0.93 0.32 1zp0B1 LEU 48 HD23 -0.55 0.00 -0.08 -0.04 0.89 0.22 1zp0B1 ILE 49 H -0.05 0.70 -0.13 -0.55 8.25 8.22 1zp0B1 ILE 49 HA 0.21 0.05 0.34 -0.75 4.18 4.03 1zp0B1 ILE 49 HB 0.01 0.09 0.08 -0.04 1.89 2.03 1zp0B1 ILE 49 HG12 0.10 0.27 -0.02 -0.04 1.49 1.80 1zp0B1 ILE 49 HG13 0.06 -0.08 -0.10 -0.04 1.21 1.05 1zp0B1 ILE 49 HG23 0.03 -0.01 -0.10 -0.04 0.93 0.81 1zp0B1 ILE 49 HD13 0.24 -0.01 -0.09 -0.04 0.88 0.97 1zp0B1 LYS 50 H -0.08 0.52 -0.26 -0.55 8.42 8.05 1zp0B1 LYS 50 HA -0.03 0.03 0.45 -0.75 4.32 4.02 1zp0B1 LYS 50 HB2 -0.05 0.06 0.15 -0.04 1.87 1.99 1zp0B1 LYS 50 HB3 -0.10 0.07 0.20 -0.04 1.79 1.93 1zp0B1 LYS 50 HG2 -0.03 -0.07 -0.18 -0.04 1.46 1.14 1zp0B1 LYS 50 HG3 -0.02 -0.01 0.05 -0.04 1.46 1.44 1zp0B1 LYS 50 HD2 -0.01 0.07 0.06 -0.04 1.69 1.77 1zp0B1 LYS 50 HD3 -0.02 -0.09 -0.07 -0.04 1.68 1.46 1zp0B1 LYS 50 HE2 0.01 -0.00 -0.05 -0.04 2.99 2.91 1zp0B1 LYS 50 HE3 0.01 -0.11 -0.01 -0.04 2.99 2.84 1zp0B1 ILE 51 H -0.17 0.69 0.03 -0.55 8.25 8.26 1zp0B1 ILE 51 HA -0.09 -0.08 0.47 -0.75 4.18 3.72 1zp0B1 ILE 51 HB -0.30 -0.06 0.11 -0.04 1.89 1.60 1zp0B1 ILE 51 HG12 -0.59 -0.04 -0.06 -0.04 1.49 0.76 1zp0B1 ILE 51 HG13 -0.28 0.23 -0.25 -0.04 1.21 0.87 1zp0B1 ILE 51 HG23 -0.29 0.13 0.01 -0.04 0.93 0.74 1zp0B1 ILE 51 HD13 -0.76 -0.06 -0.05 -0.04 0.88 -0.04 1zp0B1 LYS 52 H -0.05 0.26 -0.76 -0.55 8.42 7.30 1zp0B1 LYS 52 HA -0.00 0.18 0.41 -0.75 4.32 4.15 1zp0B1 LYS 52 HB2 0.23 0.05 0.06 -0.04 1.87 2.17 1zp0B1 LYS 52 HB3 0.09 0.18 0.22 -0.04 1.79 2.23 1zp0B1 LYS 52 HG2 0.01 -0.09 -0.04 -0.04 1.46 1.30 1zp0B1 LYS 52 HG3 0.01 -0.02 -0.29 -0.04 1.46 1.12 1zp0B1 LYS 52 HD2 0.02 -0.14 0.13 -0.04 1.69 1.67 1zp0B1 LYS 52 HD3 0.11 0.17 0.04 -0.04 1.68 1.96 1zp0B1 LYS 52 HE2 -0.15 -0.09 -0.01 -0.04 2.99 2.70 1zp0B1 LYS 52 HE3 -0.05 -0.06 0.01 -0.04 2.99 2.84 1zp0B1 ASN 53 H -0.01 0.44 -0.03 -0.55 8.53 8.39 1zp0B1 ASN 53 HA -0.01 0.11 0.63 -0.75 4.76 4.74 1zp0B1 ASN 53 HB2 -0.01 0.03 0.10 -0.04 2.88 2.97 1zp0B1 ASN 53 HB3 -0.01 -0.06 0.08 -0.04 2.79 2.76 1zp0B1 ASN 53 HD21 0.00 -0.10 -0.03 -0.04 7.03 6.86 1zp0B1 ASN 53 HD22 -0.00 -0.04 -0.05 -0.04 7.74 7.61 1zp0B1 GLU 54 H -0.02 0.28 -0.14 -0.55 8.60 8.17 1zp0B1 GLU 54 HA 0.00 0.23 1.05 -0.75 4.29 4.82 1zp0B1 GLU 54 HB2 -0.01 0.01 0.08 -0.04 2.09 2.13 1zp0B1 GLU 54 HB3 0.01 -0.04 -0.02 -0.04 1.99 1.90 1zp0B1 GLU 54 HG2 0.00 -0.00 -0.05 -0.04 2.34 2.25 1zp0B1 GLU 54 HG3 -0.01 -0.05 -0.28 -0.04 2.34 1.97 1zp0B1 ILE 55 H -0.02 0.06 0.11 -0.55 8.25 7.86 1zp0B1 ILE 55 HA 0.04 0.13 0.71 -0.75 4.18 4.30 1zp0B1 ILE 55 HB -0.01 0.05 0.25 -0.04 1.89 2.14 1zp0B1 ILE 55 HG12 -0.01 -0.05 0.13 -0.04 1.49 1.52 1zp0B1 ILE 55 HG13 0.05 0.00 0.08 -0.04 1.21 1.31 1zp0B1 ILE 55 HG23 0.19 -0.02 0.00 -0.04 0.93 1.07 1zp0B1 ILE 55 HD13 0.04 0.00 -0.08 -0.04 0.88 0.80 1zp0B1 ASP 56 H -0.03 0.96 0.21 -0.55 8.40 8.99 1zp0B1 ASP 56 HA 0.03 0.10 0.70 -0.75 4.63 4.71 1zp0B1 ASP 56 HB2 0.14 0.12 -0.07 -0.04 2.71 2.85 1zp0B1 ASP 56 HB3 0.09 -0.00 0.06 -0.04 2.70 2.81 1zp0B1 SER 57 H 0.01 0.18 0.02 -0.55 8.46 8.12 1zp0B1 SER 57 HA 0.00 0.22 0.70 -0.75 4.49 4.66 1zp0B1 SER 57 HB2 -0.01 -0.06 0.20 -0.04 3.95 4.03 1zp0B1 SER 57 HB3 -0.01 0.25 0.16 -0.04 3.93 4.29 1zp0B1 THR 58 H 0.02 0.04 -0.69 -0.55 8.28 7.11 1zp0B1 THR 58 HA 0.00 0.17 0.65 -0.75 4.39 4.45 1zp0B1 THR 58 HB 0.04 -0.00 -0.05 -0.04 4.32 4.27 1zp0B1 THR 58 HG23 0.00 -0.01 -0.01 -0.04 1.22 1.17 1zp0B1 LEU 59 H 0.03 0.30 -0.15 -0.55 8.37 8.01 1zp0B1 LEU 59 HA 0.08 -0.02 0.47 -0.75 4.35 4.12 1zp0B1 LEU 59 HB2 -0.04 0.01 0.08 -0.04 1.64 1.65 1zp0B1 LEU 59 HB3 0.07 0.07 0.11 -0.04 1.64 1.84 1zp0B1 LEU 59 HG 0.16 -0.01 -0.28 -0.04 1.64 1.46 1zp0B1 LEU 59 HD13 0.03 -0.02 0.01 -0.04 0.93 0.92 1zp0B1 LEU 59 HD23 -0.30 0.00 -0.08 -0.04 0.89 0.47 1zp0B1 THR 60 H 0.12 0.10 0.19 -0.55 8.28 8.14 1zp0B1 THR 60 HA -0.02 0.23 0.91 -0.75 4.39 4.76 1zp0B1 THR 60 HB 0.06 -0.06 -0.01 -0.04 4.32 4.27 1zp0B1 THR 60 HG23 -0.02 -0.00 -0.11 -0.04 1.22 1.04 1zp0B1 PHE 61 H -0.32 0.35 0.14 -0.55 8.34 7.96 1zp0B1 PHE 61 HA 0.01 0.08 0.38 -0.75 4.62 4.33 1zp0B1 PHE 61 HB2 -0.01 0.07 0.01 -0.04 3.15 3.19 1zp0B1 PHE 61 HB3 -0.01 0.08 -0.10 -0.04 3.06 3.00 1zp0B1 PHE 61 HD2 -0.03 0.02 -0.55 -0.04 7.28 6.68 1zp0B1 PHE 61 HE2 -0.06 0.02 -0.20 -0.04 7.38 7.10 1zp0B1 PHE 61 HZ -0.07 -0.00 -0.40 -0.04 7.32 6.80 1zp0B1 ARG 62 H 0.13 0.25 0.13 -0.55 8.46 8.42 1zp0B1 ARG 62 HA -0.05 0.11 0.67 -0.75 4.34 4.31 1zp0B1 ARG 62 HB2 0.06 0.25 0.20 -0.04 1.90 2.36 1zp0B1 ARG 62 HB3 0.03 -0.10 0.05 -0.04 1.80 1.74 1zp0B1 ARG 62 HG2 0.02 -0.01 0.01 -0.04 1.67 1.65 1zp0B1 ARG 62 HG3 0.05 -0.01 0.05 -0.04 1.67 1.71 1zp0B1 ARG 62 HD2 0.05 0.09 0.09 -0.04 3.22 3.42 1zp0B1 ARG 62 HD3 0.05 -0.05 0.05 -0.04 3.22 3.23 1zp0B1 ARG 63 H -0.03 0.39 0.23 -0.55 8.46 8.50 1zp0B1 ARG 63 HA 0.05 -0.14 0.34 -0.75 4.34 3.84 1zp0B1 ARG 63 HB2 0.09 -0.20 0.05 -0.04 1.90 1.80 1zp0B1 ARG 63 HB3 0.17 0.19 -0.39 -0.04 1.80 1.73 1zp0B1 ARG 63 HG2 -0.01 0.03 -0.44 -0.04 1.67 1.20 1zp0B1 ARG 63 HG3 0.05 0.01 -0.15 -0.04 1.67 1.53 1zp0B1 ARG 63 HD2 -0.40 0.11 -0.21 -0.04 3.22 2.69 1zp0B1 ARG 63 HD3 -0.15 -0.06 0.02 -0.04 3.22 2.99 1zp0B1 SER 64 H 0.02 -0.15 0.04 -0.55 8.46 7.83 1zp0B1 SER 64 HA -0.00 0.25 0.52 -0.75 4.49 4.50 1zp0B1 SER 64 HB2 0.00 0.23 -0.17 -0.04 3.95 3.98 1zp0B1 SER 64 HB3 0.01 -0.28 0.07 -0.04 3.93 3.68 1zp0B1 CYS 65 H 0.01 0.00 0.18 -0.55 8.50 8.15 1zp0B1 CYS 65 HA 0.01 0.33 0.52 -0.75 4.58 4.68 1zp0B1 CYS 65 HB2 0.01 0.21 0.12 -0.04 2.97 3.26 1zp0B1 CYS 65 HB3 0.01 0.13 0.13 -0.04 2.97 3.20 1zp0B1 ARG 66 H 0.02 -0.12 -0.10 -0.55 8.46 7.71 1zp0B1 ARG 66 HA 0.02 -0.12 0.29 -0.75 4.34 3.78 1zp0B1 ARG 66 HB2 0.01 0.02 0.15 -0.04 1.90 2.04 1zp0B1 ARG 66 HB3 0.02 -0.02 -0.08 -0.04 1.80 1.68 1zp0B1 ARG 66 HG2 0.01 0.02 -0.13 -0.04 1.67 1.53 1zp0B1 ARG 66 HG3 0.01 0.19 -0.67 -0.04 1.67 1.17 1zp0B1 ARG 66 HD2 0.01 0.06 -0.13 -0.04 3.22 3.11 1zp0B1 ARG 66 HD3 0.01 -0.06 0.07 -0.04 3.22 3.19 1zp0B1 GLU 67 H 0.01 -0.39 -0.65 -0.55 8.60 7.03 1zp0B1 GLU 67 HA 0.01 0.31 0.81 -0.75 4.29 4.66 1zp0B1 GLU 67 HB2 0.01 0.25 -0.04 -0.04 2.09 2.26 1zp0B1 GLU 67 HB3 0.01 -0.22 -0.04 -0.04 1.99 1.70 1zp0B1 GLU 67 HG2 0.01 -0.05 -0.06 -0.04 2.34 2.20 1zp0B1 GLU 67 HG3 0.00 0.06 0.10 -0.04 2.34 2.47 1zp0B1 GLY 68 H 0.01 -0.26 0.01 -0.55 8.43 7.64 1zp0B1 GLY 68 HA2 0.00 -0.15 0.26 -0.51 4.01 3.61 1zp0B1 GLY 68 HA3 0.00 0.32 0.48 -0.51 4.01 4.30 1zp0B1 ILE 69 H 0.01 -0.16 0.01 -0.55 8.25 7.56 1zp0B1 ILE 69 HA -0.00 0.32 0.95 -0.75 4.18 4.69 1zp0B1 ILE 69 HB 0.01 0.09 0.09 -0.04 1.89 2.04 1zp0B1 ILE 69 HG12 0.01 -0.16 -0.17 -0.04 1.49 1.12 1zp0B1 ILE 69 HG13 0.01 -0.03 -0.17 -0.04 1.21 0.98 1zp0B1 ILE 69 HG23 -0.00 0.05 -0.22 -0.04 0.93 0.72 1zp0B1 ILE 69 HD13 0.01 0.04 -0.07 -0.04 0.88 0.83 1zp0B1 CYS 70 H 0.01 -0.28 0.16 -0.55 8.50 7.84 1zp0B1 CYS 70 HA 0.02 0.40 0.85 -0.75 4.58 5.10 1zp0B1 CYS 70 HB2 0.02 0.21 0.10 -0.04 2.97 3.26 1zp0B1 CYS 70 HB3 0.01 -0.06 0.11 -0.04 2.97 2.99 1zp0B1 GLY 71 H 0.01 -0.20 -0.00 -0.55 8.43 7.69 1zp0B1 GLY 71 HA2 0.00 -0.11 0.20 -0.51 4.01 3.59 1zp0B1 GLY 71 HA3 0.01 0.34 0.29 -0.51 4.01 4.14 1zp0B1 SER 72 H 0.02 -0.18 -0.10 -0.55 8.46 7.66 1zp0B1 SER 72 HA 0.04 0.33 0.51 -0.75 4.49 4.62 1zp0B1 SER 72 HB2 0.03 -0.29 -0.09 -0.04 3.95 3.56 1zp0B1 SER 72 HB3 0.03 0.09 -0.25 -0.04 3.93 3.77 1zp0B1 CYS 73 H 0.02 -0.23 -0.07 -0.55 8.50 7.68 1zp0B1 CYS 73 HA 0.06 0.38 0.47 -0.75 4.58 4.74 1zp0B1 CYS 73 HB2 0.01 -0.11 0.15 -0.04 2.97 2.99 1zp0B1 CYS 73 HB3 0.02 -0.27 0.12 -0.04 2.97 2.79 1zp0B1 ALA 74 H -0.01 -0.13 -0.20 -0.55 8.40 7.52 1zp0B1 ALA 74 HA -0.02 0.04 0.38 -0.75 4.34 3.99 1zp0B1 ALA 74 HB3 -0.06 -0.02 -0.01 -0.04 1.41 1.28 1zp0B1 MET 75 H -0.01 0.37 0.32 -0.55 8.47 8.61 1zp0B1 MET 75 HA -0.01 0.02 0.51 -0.75 4.52 4.29 1zp0B1 MET 75 HB2 0.00 0.15 0.15 -0.04 2.15 2.42 1zp0B1 MET 75 HB3 0.01 0.30 0.12 -0.04 2.03 2.41 1zp0B1 MET 75 HG2 -0.00 -0.15 -0.13 -0.04 2.63 2.31 1zp0B1 MET 75 HG3 0.00 -0.07 -0.29 -0.04 2.56 2.17 1zp0B1 MET 75 HE3 -0.02 -0.03 0.03 -0.04 2.10 2.04 1zp0B1 ASN 76 H 0.02 0.53 -0.00 -0.55 8.53 8.54 1zp0B1 ASN 76 HA 0.03 0.18 0.55 -0.75 4.76 4.77 1zp0B1 ASN 76 HB2 0.02 0.05 -0.13 -0.04 2.88 2.78 1zp0B1 ASN 76 HB3 0.07 0.00 0.02 -0.04 2.79 2.84 1zp0B1 ASN 76 HD21 0.02 0.11 -0.63 -0.04 7.03 6.49 1zp0B1 ASN 76 HD22 0.04 0.04 -0.27 -0.04 7.74 7.51 1zp0B1 ILE 77 H 0.04 0.79 0.33 -0.55 8.25 8.86 1zp0B1 ILE 77 HA 0.09 0.24 1.05 -0.75 4.18 4.80 1zp0B1 ILE 77 HB 0.04 0.02 0.14 -0.04 1.89 2.04 1zp0B1 ILE 77 HG12 0.02 0.13 -0.15 -0.04 1.49 1.45 1zp0B1 ILE 77 HG13 0.02 -0.11 -0.12 -0.04 1.21 0.96 1zp0B1 ILE 77 HG23 0.07 -0.01 -0.12 -0.04 0.93 0.83 1zp0B1 ILE 77 HD13 0.03 0.03 -0.27 -0.04 0.88 0.63 1zp0B1 ASN 78 H 0.11 0.77 0.34 -0.55 8.53 9.21 1zp0B1 ASN 78 HA 0.07 0.01 0.43 -0.75 4.76 4.52 1zp0B1 ASN 78 HB2 0.03 0.22 0.11 -0.04 2.88 3.20 1zp0B1 ASN 78 HB3 0.03 0.01 0.23 -0.04 2.79 3.02 1zp0B1 ASN 78 HD21 0.03 -0.05 -0.04 -0.04 7.03 6.92 1zp0B1 ASN 78 HD22 0.03 0.09 -0.13 -0.04 7.74 7.69 1zp0B1 GLY 79 H 0.03 0.12 -0.15 -0.55 8.43 7.88 1zp0B1 GLY 79 HA2 -0.03 -0.00 0.23 -0.51 4.01 3.70 1zp0B1 GLY 79 HA3 0.00 0.10 0.40 -0.51 4.01 4.01 1zp0B1 GLY 80 H 0.03 0.20 -0.63 -0.55 8.43 7.48 1zp0B1 GLY 80 HA2 0.02 0.17 0.91 -0.51 4.01 4.61 1zp0B1 GLY 80 HA3 0.02 0.10 0.18 -0.51 4.01 3.80 1zp0B1 ASN 81 H 0.02 0.20 0.09 -0.55 8.53 8.29 1zp0B1 ASN 81 HA 0.01 0.16 0.59 -0.75 4.76 4.77 1zp0B1 ASN 81 HB2 0.00 0.02 0.08 -0.04 2.88 2.95 1zp0B1 ASN 81 HB3 -0.01 -0.12 -0.06 -0.04 2.79 2.56 1zp0B1 ASN 81 HD21 0.13 0.23 -0.16 -0.04 7.03 7.19 1zp0B1 ASN 81 HD22 0.04 0.12 -0.18 -0.04 7.74 7.68 1zp0B1 THR 82 H 0.00 0.54 0.35 -0.55 8.28 8.62 1zp0B1 THR 82 HA -0.01 0.15 0.61 -0.75 4.39 4.39 1zp0B1 THR 82 HB -0.00 -0.25 0.16 -0.04 4.32 4.19 1zp0B1 THR 82 HG23 -0.00 0.05 -0.25 -0.04 1.22 0.97 1zp0B1 LEU 83 H -0.00 0.27 0.14 -0.55 8.37 8.22 1zp0B1 LEU 83 HA -0.00 0.11 0.81 -0.75 4.35 4.52 1zp0B1 LEU 83 HB2 -0.00 0.10 0.18 -0.04 1.64 1.88 1zp0B1 LEU 83 HB3 0.00 -0.17 0.06 -0.04 1.64 1.49 1zp0B1 LEU 83 HG -0.01 0.06 -0.01 -0.04 1.64 1.63 1zp0B1 LEU 83 HD13 -0.01 0.00 -0.02 -0.04 0.93 0.86 1zp0B1 LEU 83 HD23 -0.01 -0.01 -0.09 -0.04 0.89 0.74 1zp0B1 ALA 84 H 0.00 0.32 0.02 -0.55 8.40 8.20 1zp0B1 ALA 84 HA -0.00 0.16 0.31 -0.75 4.34 4.05 1zp0B1 ALA 84 HB3 -0.03 0.05 -0.01 -0.04 1.41 1.38 1zp0B1 CYS 85 H 0.01 -0.02 -0.37 -0.55 8.50 7.58 1zp0B1 CYS 85 HA 0.00 0.03 0.51 -0.75 4.58 4.37 1zp0B1 CYS 85 HB2 0.01 0.20 0.07 -0.04 2.97 3.21 1zp0B1 CYS 85 HB3 0.02 -0.06 0.05 -0.04 2.97 2.94 1zp0B1 THR 86 H 0.00 0.50 -0.26 -0.55 8.28 7.98 1zp0B1 THR 86 HA 0.00 0.26 0.89 -0.75 4.39 4.79 1zp0B1 THR 86 HB 0.00 -0.05 0.11 -0.04 4.32 4.33 1zp0B1 THR 86 HG23 -0.00 0.04 -0.02 -0.04 1.22 1.20 1zp0B1 ARG 87 H 0.01 0.21 0.07 -0.55 8.46 8.19 1zp0B1 ARG 87 HA 0.01 0.12 0.59 -0.75 4.34 4.31 1zp0B1 ARG 87 HB2 0.01 -0.01 0.02 -0.04 1.90 1.88 1zp0B1 ARG 87 HB3 0.01 -0.10 0.07 -0.04 1.80 1.74 1zp0B1 ARG 87 HG2 0.03 -0.02 -0.10 -0.04 1.67 1.54 1zp0B1 ARG 87 HG3 0.03 -0.00 -0.42 -0.04 1.67 1.24 1zp0B1 ARG 87 HD2 0.02 0.05 -0.09 -0.04 3.22 3.16 1zp0B1 ARG 87 HD3 0.02 0.00 0.01 -0.04 3.22 3.20 1zp0B1 ARG 88 H 0.01 0.18 0.18 -0.55 8.46 8.28 1zp0B1 ARG 88 HA 0.03 0.05 0.59 -0.75 4.34 4.25 1zp0B1 ARG 88 HB2 0.02 0.12 0.08 -0.04 1.90 2.08 1zp0B1 ARG 88 HB3 0.01 -0.02 0.06 -0.04 1.80 1.81 1zp0B1 ARG 88 HG2 0.01 -0.09 0.13 -0.04 1.67 1.68 1zp0B1 ARG 88 HG3 0.02 0.10 -0.13 -0.04 1.67 1.61 1zp0B1 ARG 88 HD2 0.01 -0.03 0.02 -0.04 3.22 3.17 1zp0B1 ARG 88 HD3 0.01 0.02 0.01 -0.04 3.22 3.22 1zp0B1 ILE 89 H 0.05 0.45 0.21 -0.55 8.25 8.42 1zp0B1 ILE 89 HA 0.09 -0.02 0.30 -0.75 4.18 3.78 1zp0B1 ILE 89 HB 0.09 0.03 -0.12 -0.04 1.89 1.86 1zp0B1 ILE 89 HG12 0.20 -0.09 -0.19 -0.04 1.49 1.36 1zp0B1 ILE 89 HG13 0.08 0.04 -0.27 -0.04 1.21 1.02 1zp0B1 ILE 89 HG23 0.19 0.01 -0.12 -0.04 0.93 0.97 1zp0B1 ILE 89 HD13 0.14 0.04 -0.21 -0.04 0.88 0.82 1zp0B1 ASP 90 H 0.00 0.11 0.09 -0.55 8.40 8.05 1zp0B1 ASP 90 HA -0.00 0.11 0.60 -0.75 4.63 4.59 1zp0B1 ASP 90 HB2 -0.01 0.04 0.12 -0.04 2.71 2.81 1zp0B1 ASP 90 HB3 -0.05 0.05 0.16 -0.04 2.70 2.82 1zp0B1 THR 91 H 0.00 0.24 0.15 -0.55 8.28 8.12 1zp0B1 THR 91 HA -0.00 0.10 0.24 -0.75 4.39 3.97 1zp0B1 THR 91 HB 0.00 -0.02 0.11 -0.04 4.32 4.38 1zp0B1 THR 91 HG23 0.01 0.04 0.02 -0.04 1.22 1.25 1zp0B1 ASN 92 H -0.02 0.01 -0.77 -0.55 8.53 7.20 1zp0B1 ASN 92 HA -0.02 0.07 0.56 -0.75 4.76 4.63 1zp0B1 ASN 92 HB2 -0.01 0.03 0.06 -0.04 2.88 2.91 1zp0B1 ASN 92 HB3 -0.02 0.03 0.15 -0.04 2.79 2.90 1zp0B1 ASN 92 HD21 -0.01 0.03 -0.01 -0.04 7.03 7.00 1zp0B1 ASN 92 HD22 -0.01 0.04 0.02 -0.04 7.74 7.74 1zp0B1 LEU 93 H -0.02 0.31 0.26 -0.55 8.37 8.37 1zp0B1 LEU 93 HA -0.05 0.09 0.36 -0.75 4.35 3.99 1zp0B1 LEU 93 HB2 -0.02 -0.07 0.06 -0.04 1.64 1.57 1zp0B1 LEU 93 HB3 -0.02 0.15 0.20 -0.04 1.64 1.93 1zp0B1 LEU 93 HG -0.01 0.02 0.19 -0.04 1.64 1.80 1zp0B1 LEU 93 HD13 -0.00 -0.02 0.08 -0.04 0.93 0.95 1zp0B1 LEU 93 HD23 -0.01 0.04 -0.16 -0.04 0.89 0.72 1zp0B1 ASP 94 H -0.02 -0.07 -0.58 -0.55 8.40 7.18 1zp0B1 ASP 94 HA -0.02 0.08 0.46 -0.75 4.63 4.40 1zp0B1 ASP 94 HB2 -0.02 -0.03 -0.00 -0.04 2.71 2.62 1zp0B1 ASP 94 HB3 -0.01 0.00 0.03 -0.04 2.70 2.68 1zp0B1 LYS 95 H -0.04 0.45 -0.05 -0.55 8.42 8.23 1zp0B1 LYS 95 HA -0.03 0.08 0.69 -0.75 4.32 4.30 1zp0B1 LYS 95 HB2 -0.05 0.08 0.10 -0.04 1.87 1.96 1zp0B1 LYS 95 HB3 -0.04 -0.02 -0.03 -0.04 1.79 1.66 1zp0B1 LYS 95 HG2 -0.02 0.02 -0.01 -0.04 1.46 1.42 1zp0B1 LYS 95 HG3 -0.02 -0.08 -0.02 -0.04 1.46 1.30 1zp0B1 LYS 95 HD2 -0.02 -0.04 0.02 -0.04 1.69 1.61 1zp0B1 LYS 95 HD3 -0.01 0.02 -0.00 -0.04 1.68 1.64 1zp0B1 LYS 95 HE2 -0.01 0.02 -0.01 -0.04 2.99 2.96 1zp0B1 LYS 95 HE3 -0.01 -0.03 -0.00 -0.04 2.99 2.91 1zp0B1 VAL 96 H -0.04 0.15 0.12 -0.55 8.24 7.92 1zp0B1 VAL 96 HA -0.14 0.23 0.92 -0.75 4.13 4.40 1zp0B1 VAL 96 HB -0.04 0.04 -0.04 -0.04 2.12 2.04 1zp0B1 VAL 96 HG13 -0.01 -0.01 0.09 -0.04 0.97 1.00 1zp0B1 VAL 96 HG23 -0.03 -0.01 -0.31 -0.04 0.95 0.56 1zp0B1 SER 97 H -0.30 0.44 0.20 -0.55 8.46 8.26 1zp0B1 SER 97 HA -0.03 -0.01 0.45 -0.75 4.49 4.15 1zp0B1 SER 97 HB2 -0.42 0.08 0.20 -0.04 3.95 3.77 1zp0B1 SER 97 HB3 0.09 -0.03 -0.02 -0.04 3.93 3.92 1zp0B1 LYS 98 H 0.07 0.09 0.25 -0.55 8.42 8.28 1zp0B1 LYS 98 HA 0.09 0.33 1.05 -0.75 4.32 5.04 1zp0B1 LYS 98 HB2 0.19 -0.16 0.25 -0.04 1.87 2.11 1zp0B1 LYS 98 HB3 0.44 0.04 0.03 -0.04 1.79 2.26 1zp0B1 LYS 98 HG2 0.11 0.03 -0.07 -0.04 1.46 1.49 1zp0B1 LYS 98 HG3 0.07 0.16 0.00 -0.04 1.46 1.65 1zp0B1 LYS 98 HD2 0.09 -0.05 0.03 -0.04 1.69 1.72 1zp0B1 LYS 98 HD3 0.18 -0.01 -0.01 -0.04 1.68 1.80 1zp0B1 LYS 98 HE2 0.05 -0.02 0.00 -0.04 2.99 2.99 1zp0B1 LYS 98 HE3 0.07 -0.00 -0.01 -0.04 2.99 3.00 1zp0B1 ILE 99 H 0.02 0.78 0.36 -0.55 8.25 8.86 1zp0B1 ILE 99 HA 0.11 0.25 1.12 -0.75 4.18 4.91 1zp0B1 ILE 99 HB 0.01 0.01 0.19 -0.04 1.89 2.06 1zp0B1 ILE 99 HG12 0.06 -0.01 -0.10 -0.04 1.49 1.40 1zp0B1 ILE 99 HG13 0.14 -0.08 -0.30 -0.04 1.21 0.93 1zp0B1 ILE 99 HG23 -0.03 -0.01 -0.17 -0.04 0.93 0.69 1zp0B1 ILE 99 HD13 -0.01 -0.00 -0.11 -0.04 0.88 0.72 1zp0B1 TYR 100 H 0.21 0.76 0.38 -0.55 8.29 9.10 1zp0B1 TYR 100 HA -0.01 0.12 0.96 -0.75 4.56 4.88 1zp0B1 TYR 100 HB2 -0.05 -0.04 0.05 -0.04 3.06 2.98 1zp0B1 TYR 100 HB3 -0.15 0.12 0.08 -0.04 2.98 2.99 1zp0B1 TYR 100 HD2 0.02 0.03 -0.19 -0.04 7.15 6.96 1zp0B1 TYR 100 HE2 0.08 -0.02 -0.10 -0.04 6.85 6.76 1zp0B1 PRO 101 HA -0.05 0.12 0.56 -0.51 4.44 4.57 1zp0B1 PRO 101 HB2 -0.22 0.10 -0.09 -0.04 2.28 2.03 1zp0B1 PRO 101 HB3 -0.11 0.03 -0.01 -0.04 2.02 1.89 1zp0B1 PRO 101 HG2 -0.83 0.05 0.01 -0.04 2.03 1.22 1zp0B1 PRO 101 HG3 -0.22 0.09 -0.01 -0.04 2.03 1.84 1zp0B1 PRO 101 HD2 -0.48 0.09 0.13 -0.04 3.68 3.38 1zp0B1 PRO 101 HD3 -0.46 0.06 0.21 -0.04 3.65 3.42 1zp0B1 LEU 102 H -0.04 0.18 0.13 -0.55 8.37 8.09 1zp0B1 LEU 102 HA -0.02 -0.02 0.31 -0.75 4.35 3.87 1zp0B1 LEU 102 HB2 -0.05 -0.04 0.01 -0.04 1.64 1.53 1zp0B1 LEU 102 HB3 -0.03 0.08 -0.05 -0.04 1.64 1.60 1zp0B1 LEU 102 HG -0.04 0.17 -0.03 -0.04 1.64 1.70 1zp0B1 LEU 102 HD13 -0.12 -0.00 -0.10 -0.04 0.93 0.67 1zp0B1 LEU 102 HD23 -0.03 -0.08 -0.29 -0.04 0.89 0.44 1zp0B1 PRO 103 HA -0.23 -0.03 0.39 -0.51 4.44 4.06 1zp0B1 PRO 103 HB2 0.28 0.32 0.08 -0.04 2.28 2.92 1zp0B1 PRO 103 HB3 -0.37 -0.08 0.07 -0.04 2.02 1.60 1zp0B1 PRO 103 HG2 0.19 0.01 0.06 -0.04 2.03 2.26 1zp0B1 PRO 103 HG3 -0.02 -0.01 0.04 -0.04 2.03 1.99 1zp0B1 PRO 103 HD2 0.08 0.17 0.13 -0.04 3.68 4.02 1zp0B1 PRO 103 HD3 0.01 -0.01 0.13 -0.04 3.65 3.75 1zp0B1 HIS 104 H -0.44 0.07 0.11 -0.55 8.41 7.61 1zp0B1 HIS 104 HA -0.36 -0.02 0.33 -0.75 4.63 3.84 1zp0B1 HIS 104 HB2 -1.13 -0.07 -0.01 -0.04 3.26 2.02 1zp0B1 HIS 104 HB3 -0.40 0.07 -0.00 -0.04 3.20 2.82 1zp0B1 HIS 104 HD2 -0.18 -0.08 -0.01 -0.04 6.97 6.65 1zp0B1 HIS 104 HE1 -0.01 -0.09 0.02 -0.04 7.75 7.62 1zp0B1 MET 105 H -0.22 0.23 -0.08 -0.55 8.47 7.86 1zp0B1 MET 105 HA -0.02 0.09 0.71 -0.75 4.52 4.54 1zp0B1 MET 105 HB2 -0.05 0.12 -0.19 -0.04 2.15 1.99 1zp0B1 MET 105 HB3 0.02 -0.08 -0.05 -0.04 2.03 1.88 1zp0B1 MET 105 HG2 0.09 0.33 -0.57 -0.04 2.63 2.44 1zp0B1 MET 105 HG3 0.03 -0.08 -0.24 -0.04 2.56 2.23 1zp0B1 MET 105 HE3 0.17 0.02 0.11 -0.04 2.10 2.37 1zp0B1 TYR 106 H 0.15 0.13 0.14 -0.55 8.29 8.16 1zp0B1 TYR 106 HA -0.08 0.08 0.51 -0.75 4.56 4.31 1zp0B1 TYR 106 HB2 0.01 -0.08 0.17 -0.04 3.06 3.12 1zp0B1 TYR 106 HB3 -0.01 0.09 -0.03 -0.04 2.98 2.99 1zp0B1 TYR 106 HD2 -0.02 0.01 0.05 -0.04 7.15 7.14 1zp0B1 TYR 106 HE2 -0.01 0.01 -0.01 -0.04 6.85 6.81 1zp0B1 VAL 107 H -0.04 0.15 0.18 -0.55 8.24 7.99 1zp0B1 VAL 107 HA 0.08 0.10 0.62 -0.75 4.13 4.18 1zp0B1 VAL 107 HB -0.01 -0.03 0.08 -0.04 2.12 2.12 1zp0B1 VAL 107 HG13 0.33 0.00 -0.28 -0.04 0.97 0.98 1zp0B1 VAL 107 HG23 -0.12 0.02 -0.03 -0.04 0.95 0.77 1zp0B1 ILE 108 H 0.16 0.68 0.36 -0.55 8.25 8.89 1zp0B1 ILE 108 HA 0.25 0.04 0.54 -0.75 4.18 4.27 1zp0B1 ILE 108 HB 0.13 0.14 0.07 -0.04 1.89 2.18 1zp0B1 ILE 108 HG12 0.11 -0.04 -0.06 -0.04 1.49 1.47 1zp0B1 ILE 108 HG13 0.12 -0.01 -0.10 -0.04 1.21 1.19 1zp0B1 ILE 108 HG23 0.10 -0.02 -0.07 -0.04 0.93 0.90 1zp0B1 ILE 108 HD13 0.09 -0.02 -0.19 -0.04 0.88 0.71 1zp0B1 LYS 109 H 0.23 0.28 0.00 -0.55 8.42 8.38 1zp0B1 LYS 109 HA 0.32 0.18 0.42 -0.75 4.32 4.49 1zp0B1 LYS 109 HB2 0.05 0.24 0.10 -0.04 1.87 2.22 1zp0B1 LYS 109 HB3 0.08 -0.09 -0.06 -0.04 1.79 1.68 1zp0B1 LYS 109 HG2 0.05 -0.05 -0.10 -0.04 1.46 1.31 1zp0B1 LYS 109 HG3 -0.07 0.10 0.25 -0.04 1.46 1.70 1zp0B1 LYS 109 HD2 -0.05 -0.01 0.06 -0.04 1.69 1.65 1zp0B1 LYS 109 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.58 1zp0B1 LYS 109 HE2 -0.01 0.09 0.03 -0.04 2.99 3.05 1zp0B1 LYS 109 HE3 -0.08 -0.08 0.06 -0.04 2.99 2.85 1zp0B1 ASP 110 H 0.30 0.34 0.20 -0.55 8.40 8.69 1zp0B1 ASP 110 HA 0.31 -0.05 0.32 -0.75 4.63 4.46 1zp0B1 ASP 110 HB2 0.14 0.13 0.01 -0.04 2.71 2.94 1zp0B1 ASP 110 HB3 0.15 0.06 0.32 -0.04 2.70 3.19 1zp0B1 LEU 111 H 0.15 0.37 0.30 -0.55 8.37 8.65 1zp0B1 LEU 111 HA 0.04 0.09 0.66 -0.75 4.35 4.39 1zp0B1 LEU 111 HB2 0.14 0.08 0.22 -0.04 1.64 2.03 1zp0B1 LEU 111 HB3 0.05 -0.02 0.22 -0.04 1.64 1.86 1zp0B1 LEU 111 HG 0.07 0.04 0.02 -0.04 1.64 1.72 1zp0B1 LEU 111 HD13 -0.09 -0.01 -0.06 -0.04 0.93 0.73 1zp0B1 LEU 111 HD23 0.02 0.02 -0.26 -0.04 0.89 0.62 1zp0B1 VAL 112 H 0.13 0.60 -0.34 -0.55 8.24 8.08 1zp0B1 VAL 112 HA 0.07 0.24 1.05 -0.75 4.13 4.73 1zp0B1 VAL 112 HB 0.10 0.02 0.17 -0.04 2.12 2.36 1zp0B1 VAL 112 HG13 0.07 -0.01 -0.11 -0.04 0.97 0.88 1zp0B1 VAL 112 HG23 0.08 -0.01 -0.21 -0.04 0.95 0.77 1zp0B1 PRO 113 HA 0.06 0.21 0.72 -0.51 4.44 4.92 1zp0B1 PRO 113 HB2 -0.00 0.02 -0.13 -0.04 2.28 2.14 1zp0B1 PRO 113 HB3 -0.02 0.05 -0.07 -0.04 2.02 1.94 1zp0B1 PRO 113 HG2 -0.02 -0.04 0.01 -0.04 2.03 1.95 1zp0B1 PRO 113 HG3 -0.03 0.03 0.06 -0.04 2.03 2.06 1zp0B1 PRO 113 HD2 0.03 0.08 0.35 -0.04 3.68 4.10 1zp0B1 PRO 113 HD3 0.02 0.33 0.11 -0.04 3.65 4.06 1zp0B1 ASP 114 H 0.09 0.56 0.22 -0.55 8.40 8.73 1zp0B1 ASP 114 HA 0.08 0.08 0.67 -0.75 4.63 4.71 1zp0B1 ASP 114 HB2 0.10 0.10 0.09 -0.04 2.71 2.95 1zp0B1 ASP 114 HB3 0.13 -0.02 0.26 -0.04 2.70 3.03 1zp0B1 LEU 115 H 0.04 0.28 0.17 -0.55 8.37 8.31 1zp0B1 LEU 115 HA -0.05 0.18 0.74 -0.75 4.35 4.47 1zp0B1 LEU 115 HB2 -0.27 0.05 0.08 -0.04 1.64 1.45 1zp0B1 LEU 115 HB3 -0.60 -0.07 0.15 -0.04 1.64 1.09 1zp0B1 LEU 115 HG -0.07 0.13 -0.16 -0.04 1.64 1.51 1zp0B1 LEU 115 HD13 -0.11 0.02 0.01 -0.04 0.93 0.82 1zp0B1 LEU 115 HD23 -0.26 0.01 -0.11 -0.04 0.89 0.48 1zp0B1 SER 116 H 0.08 0.13 -0.29 -0.55 8.46 7.83 1zp0B1 SER 116 HA 0.25 0.09 0.36 -0.75 4.49 4.43 1zp0B1 SER 116 HB2 0.08 0.00 0.06 -0.04 3.95 4.05 1zp0B1 SER 116 HB3 0.10 0.07 -0.03 -0.04 3.93 4.03 1zp0B1 ASN 117 H 0.10 0.16 -0.15 -0.55 8.53 8.09 1zp0B1 ASN 117 HA 0.09 0.09 0.41 -0.75 4.76 4.60 1zp0B1 ASN 117 HB2 0.09 -0.01 0.07 -0.04 2.88 2.99 1zp0B1 ASN 117 HB3 0.14 0.00 0.03 -0.04 2.79 2.92 1zp0B1 ASN 117 HD21 0.02 0.42 -0.08 -0.04 7.03 7.35 1zp0B1 ASN 117 HD22 0.10 -0.08 -0.14 -0.04 7.74 7.58 1zp0B1 PHE 118 H 0.18 0.06 -0.33 -0.55 8.34 7.69 1zp0B1 PHE 118 HA 0.07 0.07 0.35 -0.75 4.62 4.36 1zp0B1 PHE 118 HB2 -0.08 -0.01 0.10 -0.04 3.15 3.12 1zp0B1 PHE 118 HB3 -0.42 0.24 0.19 -0.04 3.06 3.03 1zp0B1 PHE 118 HD2 -0.34 0.08 -0.05 -0.04 7.28 6.92 1zp0B1 PHE 118 HE2 -0.11 -0.05 -0.05 -0.04 7.38 7.12 1zp0B1 PHE 118 HZ -0.12 -0.22 -0.08 -0.04 7.32 6.86 1zp0B1 TYR 119 H -0.03 0.56 -0.05 -0.55 8.29 8.22 1zp0B1 TYR 119 HA 0.03 -0.00 0.39 -0.75 4.56 4.23 1zp0B1 TYR 119 HB2 0.12 0.07 0.12 -0.04 3.06 3.33 1zp0B1 TYR 119 HB3 0.12 -0.01 0.00 -0.04 2.98 3.05 1zp0B1 TYR 119 HD2 0.16 -0.05 -0.07 -0.04 7.15 7.14 1zp0B1 TYR 119 HE2 0.16 0.01 -0.03 -0.04 6.85 6.95 1zp0B1 ALA 120 H 0.17 0.63 -0.10 -0.55 8.40 8.55 1zp0B1 ALA 120 HA 0.09 -0.01 0.40 -0.75 4.34 4.06 1zp0B1 ALA 120 HB3 0.07 0.02 0.11 -0.04 1.41 1.58 1zp0B1 GLN 121 H 0.04 0.67 -0.17 -0.55 8.47 8.47 1zp0B1 GLN 121 HA 0.01 0.01 0.40 -0.75 4.36 4.03 1zp0B1 GLN 121 HB2 -0.05 0.16 0.21 -0.04 2.15 2.43 1zp0B1 GLN 121 HB3 -0.02 -0.08 0.03 -0.04 2.02 1.90 1zp0B1 GLN 121 HG2 0.04 -0.04 -0.03 -0.04 2.40 2.33 1zp0B1 GLN 121 HG3 0.06 0.04 0.05 -0.04 2.39 2.50 1zp0B1 GLN 121 HE21 0.14 0.14 0.01 -0.04 6.97 7.22 1zp0B1 GLN 121 HE22 0.06 -0.03 -0.21 -0.04 7.69 7.46 1zp0B1 TYR 122 H 0.03 0.41 -0.19 -0.55 8.29 7.98 1zp0B1 TYR 122 HA -0.11 -0.04 0.42 -0.75 4.56 4.08 1zp0B1 TYR 122 HB2 -0.25 -0.08 0.10 -0.04 3.06 2.78 1zp0B1 TYR 122 HB3 -0.03 0.21 0.18 -0.04 2.98 3.30 1zp0B1 TYR 122 HD2 0.01 -0.01 0.01 -0.04 7.15 7.12 1zp0B1 TYR 122 HE2 0.11 -0.01 -0.03 -0.04 6.85 6.88 1zp0B1 LYS 123 H 0.03 0.46 -0.24 -0.55 8.42 8.11 1zp0B1 LYS 123 HA -0.22 0.01 0.47 -0.75 4.32 3.82 1zp0B1 LYS 123 HB2 0.01 -0.03 0.10 -0.04 1.87 1.91 1zp0B1 LYS 123 HB3 -0.00 0.22 0.17 -0.04 1.79 2.14 1zp0B1 LYS 123 HG2 -0.03 0.00 -0.11 -0.04 1.46 1.29 1zp0B1 LYS 123 HG3 -0.03 -0.04 0.06 -0.04 1.46 1.40 1zp0B1 LYS 123 HD2 0.01 -0.03 -0.01 -0.04 1.69 1.63 1zp0B1 LYS 123 HD3 0.01 0.01 -0.01 -0.04 1.68 1.64 1zp0B1 LYS 123 HE2 -0.01 0.00 -0.02 -0.04 2.99 2.92 1zp0B1 LYS 123 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.91 1zp0B1 SER 124 H -0.04 0.37 -0.22 -0.55 8.46 8.02 1zp0B1 SER 124 HA -0.05 0.03 0.41 -0.75 4.49 4.12 1zp0B1 SER 124 HB2 -0.02 -0.05 0.10 -0.04 3.95 3.95 1zp0B1 SER 124 HB3 -0.01 -0.01 0.10 -0.04 3.93 3.97 1zp0B1 ILE 125 H -0.13 0.29 -0.48 -0.55 8.25 7.38 1zp0B1 ILE 125 HA -0.09 0.17 0.71 -0.75 4.18 4.21 1zp0B1 ILE 125 HB -0.04 -0.04 0.06 -0.04 1.89 1.83 1zp0B1 ILE 125 HG12 -0.13 0.32 0.03 -0.04 1.49 1.67 1zp0B1 ILE 125 HG13 -0.21 -0.01 -0.54 -0.04 1.21 0.40 1zp0B1 ILE 125 HG23 -0.01 0.02 -0.09 -0.04 0.93 0.81 1zp0B1 ILE 125 HD13 0.16 -0.03 -0.14 -0.04 0.88 0.83 1zp0B1 GLU 126 H -0.25 0.36 -0.36 -0.55 8.60 7.80 1zp0B1 GLU 126 HA -0.53 0.04 0.30 -0.75 4.29 3.35 1zp0B1 GLU 126 HB2 -0.51 0.15 -0.02 -0.04 2.09 1.67 1zp0B1 GLU 126 HB3 -1.16 -0.07 0.09 -0.04 1.99 0.81 1zp0B1 GLU 126 HG2 -0.11 0.01 -0.02 -0.04 2.34 2.17 1zp0B1 GLU 126 HG3 -0.18 0.09 -0.28 -0.04 2.34 1.92 1zp0B1 PRO 127 HA -1.14 0.12 0.41 -0.51 4.44 3.32 1zp0B1 PRO 127 HB2 0.07 -0.04 0.14 -0.04 2.28 2.40 1zp0B1 PRO 127 HB3 -0.22 0.01 0.00 -0.04 2.02 1.78 1zp0B1 PRO 127 HG2 -0.35 -0.02 0.03 -0.04 2.03 1.64 1zp0B1 PRO 127 HG3 -1.39 0.02 -0.03 -0.04 2.03 0.59 1zp0B1 PRO 127 HD2 -0.37 0.07 0.15 -0.04 3.68 3.49 1zp0B1 PRO 127 HD3 -0.50 0.27 0.06 -0.04 3.65 3.44 1zp0B1 TYR 128 H -1.59 0.74 0.10 -0.55 8.29 6.99 1zp0B1 TYR 128 HA -1.03 0.02 0.49 -0.75 4.56 3.29 1zp0B1 TYR 128 HB2 -0.32 -0.02 0.01 -0.04 3.06 2.70 1zp0B1 TYR 128 HB3 -0.32 0.09 -0.07 -0.04 2.98 2.64 1zp0B1 TYR 128 HD2 -0.31 0.09 -0.39 -0.04 7.15 6.50 1zp0B1 TYR 128 HE2 -0.25 -0.00 -0.08 -0.04 6.85 6.49 1zp0B1 LEU 129 H -0.17 0.08 0.10 -0.55 8.37 7.84 1zp0B1 LEU 129 HA -0.04 0.06 0.44 -0.75 4.35 4.06 1zp0B1 LEU 129 HB2 0.21 -0.01 0.11 -0.04 1.64 1.92 1zp0B1 LEU 129 HB3 0.12 -0.01 -0.02 -0.04 1.64 1.69 1zp0B1 LEU 129 HG 0.33 -0.00 -0.07 -0.04 1.64 1.85 1zp0B1 LEU 129 HD13 0.30 -0.01 -0.08 -0.04 0.93 1.10 1zp0B1 LEU 129 HD23 0.10 -0.04 -0.30 -0.04 0.89 0.61 1zp0B1 LYS 130 H -0.02 0.13 0.20 -0.55 8.42 8.18 1zp0B1 LYS 130 HA -0.10 0.17 0.90 -0.75 4.32 4.53 1zp0B1 LYS 130 HB2 -0.39 -0.12 0.17 -0.04 1.87 1.49 1zp0B1 LYS 130 HB3 -0.97 0.02 -0.02 -0.04 1.79 0.78 1zp0B1 LYS 130 HG2 -0.12 0.12 -0.44 -0.04 1.46 0.98 1zp0B1 LYS 130 HG3 -0.44 0.15 -0.05 -0.04 1.46 1.09 1zp0B1 LYS 130 HD2 -0.39 -0.03 -0.03 -0.04 1.69 1.20 1zp0B1 LYS 130 HD3 -0.12 0.03 -0.06 -0.04 1.68 1.49 1zp0B1 LYS 130 HE2 -0.50 0.08 -0.02 -0.04 2.99 2.51 1zp0B1 LYS 130 HE3 -1.79 -0.09 -0.04 -0.04 2.99 1.03 1zp0B1 LYS 131 H 0.03 0.22 0.07 -0.55 8.42 8.18 1zp0B1 LYS 131 HA 0.12 0.17 0.89 -0.75 4.32 4.75 1zp0B1 LYS 131 HB2 0.07 -0.00 -0.05 -0.04 1.87 1.84 1zp0B1 LYS 131 HB3 0.02 -0.08 -0.03 -0.04 1.79 1.66 1zp0B1 LYS 131 HG2 0.00 -0.03 -0.18 -0.04 1.46 1.20 1zp0B1 LYS 131 HG3 -0.06 -0.02 -0.03 -0.04 1.46 1.32 1zp0B1 LYS 131 HD2 -0.17 -0.09 0.07 -0.04 1.69 1.47 1zp0B1 LYS 131 HD3 -0.08 0.11 0.11 -0.04 1.68 1.77 1zp0B1 LYS 131 HE2 -0.40 0.11 0.07 -0.04 2.99 2.73 1zp0B1 LYS 131 HE3 -1.30 -0.10 0.03 -0.04 2.99 1.58 1zp0B1 LYS 132 H 0.10 0.19 0.16 -0.55 8.42 8.31 1zp0B1 LYS 132 HA 0.21 0.13 0.45 -0.75 4.32 4.36 1zp0B1 LYS 132 HB2 0.01 -0.03 0.12 -0.04 1.87 1.94 1zp0B1 LYS 132 HB3 0.01 0.02 0.08 -0.04 1.79 1.85 1zp0B1 LYS 132 HG2 -0.05 -0.02 0.10 -0.04 1.46 1.45 1zp0B1 LYS 132 HG3 -0.09 0.02 0.09 -0.04 1.46 1.44 1zp0B1 LYS 132 HD2 -0.14 -0.02 0.05 -0.04 1.69 1.55 1zp0B1 LYS 132 HD3 -0.19 -0.00 -0.02 -0.04 1.68 1.43 1zp0B1 LYS 132 HE2 -0.82 0.22 0.05 -0.04 2.99 2.39 1zp0B1 LYS 132 HE3 -0.31 -0.02 0.07 -0.04 2.99 2.69 1zp0B1 ASP 133 H 0.05 0.09 -0.22 -0.55 8.40 7.76 1zp0B1 ASP 133 HA 0.04 0.21 0.91 -0.75 4.63 5.03 1zp0B1 ASP 133 HB2 0.02 0.01 0.16 -0.04 2.71 2.85 1zp0B1 ASP 133 HB3 0.03 -0.06 0.06 -0.04 2.70 2.68 1zp0B1 GLU 134 H 0.04 0.30 0.01 -0.55 8.60 8.40 1zp0B1 GLU 134 HA 0.07 0.15 0.77 -0.75 4.29 4.53 1zp0B1 GLU 134 HB2 0.02 0.05 0.08 -0.04 2.09 2.20 1zp0B1 GLU 134 HB3 0.03 0.02 0.12 -0.04 1.99 2.12 1zp0B1 GLU 134 HG2 0.01 0.05 0.01 -0.04 2.34 2.37 1zp0B1 GLU 134 HG3 0.05 0.03 -0.16 -0.04 2.34 2.22 1zp0B1 SER 135 H 0.04 0.06 -0.29 -0.55 8.46 7.72 1zp0B1 SER 135 HA 0.02 0.16 0.49 -0.75 4.49 4.40 1zp0B1 SER 135 HB2 0.02 0.05 0.06 -0.04 3.95 4.04 1zp0B1 SER 135 HB3 0.02 0.00 0.08 -0.04 3.93 3.99 1zp0B1 GLN 136 H 0.06 0.08 -0.31 -0.55 8.47 7.76 1zp0B1 GLN 136 HA 0.03 0.29 0.87 -0.75 4.36 4.79 1zp0B1 GLN 136 HB2 0.08 0.02 0.01 -0.04 2.15 2.21 1zp0B1 GLN 136 HB3 0.06 -0.02 0.13 -0.04 2.02 2.15 1zp0B1 GLN 136 HG2 0.03 -0.10 -0.17 -0.04 2.40 2.12 1zp0B1 GLN 136 HG3 0.04 0.01 -0.04 -0.04 2.39 2.36 1zp0B1 GLN 136 HE21 0.01 0.03 -0.09 -0.04 6.97 6.88 1zp0B1 GLN 136 HE22 0.02 -0.10 -0.24 -0.04 7.69 7.33 1zp0B1 GLU 137 H 0.05 0.26 -0.35 -0.55 8.60 8.02 1zp0B1 GLU 137 HA 0.03 0.04 0.62 -0.75 4.29 4.23 1zp0B1 GLU 137 HB2 0.03 -0.01 0.07 -0.04 2.09 2.14 1zp0B1 GLU 137 HB3 0.13 -0.05 0.10 -0.04 1.99 2.12 1zp0B1 GLU 137 HG2 0.02 0.24 0.11 -0.04 2.34 2.67 1zp0B1 GLU 137 HG3 -0.00 0.00 -0.17 -0.04 2.34 2.13 1zp0B1 GLY 138 H -0.12 0.14 0.17 -0.55 8.43 8.07 1zp0B1 GLY 138 HA2 -0.07 -0.00 0.31 -0.51 4.01 3.74 1zp0B1 GLY 138 HA3 -0.04 0.22 0.73 -0.51 4.01 4.42 1zp0B1 LYS 139 H -0.03 0.19 -0.14 -0.55 8.42 7.88 1zp0B1 LYS 139 HA -0.02 0.25 1.01 -0.75 4.32 4.80 1zp0B1 LYS 139 HB2 -0.00 -0.03 -0.00 -0.04 1.87 1.79 1zp0B1 LYS 139 HB3 -0.01 0.02 -0.08 -0.04 1.79 1.69 1zp0B1 LYS 139 HG2 0.01 0.13 -0.12 -0.04 1.46 1.43 1zp0B1 LYS 139 HG3 0.01 -0.03 0.03 -0.04 1.46 1.43 1zp0B1 LYS 139 HD2 0.02 -0.04 0.01 -0.04 1.69 1.65 1zp0B1 LYS 139 HD3 0.01 -0.05 -0.04 -0.04 1.68 1.57 1zp0B1 LYS 139 HE2 0.00 -0.01 -0.05 -0.04 2.99 2.89 1zp0B1 LYS 139 HE3 0.01 0.07 -0.05 -0.04 2.99 2.97 1zp0B1 GLN 140 H -0.05 0.15 0.14 -0.55 8.47 8.17 1zp0B1 GLN 140 HA -0.02 0.19 0.85 -0.75 4.36 4.62 1zp0B1 GLN 140 HB2 0.04 -0.02 -0.00 -0.04 2.15 2.12 1zp0B1 GLN 140 HB3 0.03 0.06 -0.04 -0.04 2.02 2.02 1zp0B1 GLN 140 HG2 0.01 -0.01 -0.48 -0.04 2.40 1.88 1zp0B1 GLN 140 HG3 0.02 -0.02 -0.08 -0.04 2.39 2.27 1zp0B1 GLN 140 HE21 0.01 -0.01 0.00 -0.04 6.97 6.93 1zp0B1 GLN 140 HE22 0.02 -0.02 -0.02 -0.04 7.69 7.62 1zp0B1 GLN 141 H -0.03 0.15 0.09 -0.55 8.47 8.14 1zp0B1 GLN 141 HA -0.16 0.03 0.57 -0.75 4.36 4.05 1zp0B1 GLN 141 HB2 -0.03 0.07 0.03 -0.04 2.15 2.18 1zp0B1 GLN 141 HB3 -0.04 -0.00 0.07 -0.04 2.02 2.00 1zp0B1 GLN 141 HG2 -0.01 -0.06 0.12 -0.04 2.40 2.42 1zp0B1 GLN 141 HG3 0.01 0.05 -0.06 -0.04 2.39 2.34 1zp0B1 GLN 141 HE21 -0.01 -0.00 0.00 -0.04 6.97 6.93 1zp0B1 GLN 141 HE22 -0.00 -0.01 0.03 -0.04 7.69 7.66 1zp0B1 TYR 142 H -0.20 0.08 0.17 -0.55 8.29 7.79 1zp0B1 TYR 142 HA 0.01 0.03 0.39 -0.75 4.56 4.24 1zp0B1 TYR 142 HB2 0.02 -0.03 0.05 -0.04 3.06 3.05 1zp0B1 TYR 142 HB3 0.02 0.08 0.03 -0.04 2.98 3.07 1zp0B1 TYR 142 HD2 0.03 -0.00 -0.02 -0.04 7.15 7.11 1zp0B1 TYR 142 HE2 0.03 -0.00 -0.02 -0.04 6.85 6.81 1zp0B1 LEU 143 H 0.11 0.10 0.17 -0.55 8.37 8.21 1zp0B1 LEU 143 HA 0.05 0.16 0.71 -0.75 4.35 4.52 1zp0B1 LEU 143 HB2 0.04 -0.01 0.10 -0.04 1.64 1.73 1zp0B1 LEU 143 HB3 0.03 -0.06 -0.01 -0.04 1.64 1.55 1zp0B1 LEU 143 HG 0.05 0.05 0.00 -0.04 1.64 1.70 1zp0B1 LEU 143 HD13 0.02 -0.01 -0.00 -0.04 0.93 0.90 1zp0B1 LEU 143 HD23 0.03 0.02 -0.05 -0.04 0.89 0.84 1zp0B1 GLN 144 H 0.02 0.23 0.02 -0.55 8.47 8.19 1zp0B1 GLN 144 HA 0.01 0.05 0.57 -0.75 4.36 4.24 1zp0B1 GLN 144 HB2 0.03 0.10 -0.31 -0.04 2.15 1.93 1zp0B1 GLN 144 HB3 0.01 0.01 -0.01 -0.04 2.02 1.98 1zp0B1 GLN 144 HG2 -0.01 0.09 -0.23 -0.04 2.40 2.20 1zp0B1 GLN 144 HG3 -0.00 -0.03 -0.03 -0.04 2.39 2.28 1zp0B1 GLN 144 HE21 -0.04 0.04 -0.05 -0.04 6.97 6.88 1zp0B1 GLN 144 HE22 -0.01 -0.10 -0.05 -0.04 7.69 7.49 1zp0B1 SER 145 H 0.00 0.14 0.11 -0.55 8.46 8.17 1zp0B1 SER 145 HA 0.00 0.12 0.45 -0.75 4.49 4.31 1zp0B1 SER 145 HB2 -0.00 0.01 0.17 -0.04 3.95 4.09 1zp0B1 SER 145 HB3 0.00 0.13 0.17 -0.04 3.93 4.18 1zp0B1 ILE 146 H -0.00 0.19 0.21 -0.55 8.25 8.10 1zp0B1 ILE 146 HA -0.01 0.15 0.42 -0.75 4.18 3.99 1zp0B1 ILE 146 HB -0.01 0.07 0.13 -0.04 1.89 2.05 1zp0B1 ILE 146 HG12 -0.00 -0.00 -0.20 -0.04 1.49 1.24 1zp0B1 ILE 146 HG13 -0.00 0.05 -0.01 -0.04 1.21 1.20 1zp0B1 ILE 146 HG23 -0.00 0.01 0.14 -0.04 0.93 1.03 1zp0B1 ILE 146 HD13 -0.00 -0.01 -0.12 -0.04 0.88 0.71 1zp0B1 GLU 147 H -0.00 0.00 -0.33 -0.55 8.60 7.72 1zp0B1 GLU 147 HA -0.00 0.14 0.47 -0.75 4.29 4.14 1zp0B1 GLU 147 HB2 -0.00 0.04 0.08 -0.04 2.09 2.16 1zp0B1 GLU 147 HB3 -0.00 -0.10 0.10 -0.04 1.99 1.95 1zp0B1 GLU 147 HG2 -0.00 0.05 -0.33 -0.04 2.34 2.01 1zp0B1 GLU 147 HG3 -0.00 0.03 -0.02 -0.04 2.34 2.31 1zp0B1 GLU 148 H -0.01 0.02 -0.08 -0.55 8.60 7.98 1zp0B1 GLU 148 HA -0.02 0.11 0.38 -0.75 4.29 4.00 1zp0B1 GLU 148 HB2 -0.01 0.06 0.06 -0.04 2.09 2.16 1zp0B1 GLU 148 HB3 -0.02 0.01 0.10 -0.04 1.99 2.03 1zp0B1 GLU 148 HG2 -0.01 0.10 0.09 -0.04 2.34 2.47 1zp0B1 GLU 148 HG3 -0.01 -0.12 0.11 -0.04 2.34 2.28 1zp0B1 ARG 149 H -0.02 0.26 -0.63 -0.55 8.46 7.51 1zp0B1 ARG 149 HA -0.05 0.06 0.46 -0.75 4.34 4.06 1zp0B1 ARG 149 HB2 -0.03 0.04 -0.02 -0.04 1.90 1.84 1zp0B1 ARG 149 HB3 -0.03 0.06 0.09 -0.04 1.80 1.89 1zp0B1 ARG 149 HG2 -0.05 -0.01 -0.04 -0.04 1.67 1.53 1zp0B1 ARG 149 HG3 -0.05 -0.01 -0.26 -0.04 1.67 1.31 1zp0B1 ARG 149 HD2 -0.10 -0.02 0.10 -0.04 3.22 3.15 1zp0B1 ARG 149 HD3 -0.09 0.02 -0.01 -0.04 3.22 3.10 1zp0B1 GLU 150 H -0.01 0.46 -0.06 -0.55 8.60 8.44 1zp0B1 GLU 150 HA 0.00 -0.03 0.46 -0.75 4.29 3.98 1zp0B1 GLU 150 HB2 -0.00 0.14 0.20 -0.04 2.09 2.39 1zp0B1 GLU 150 HB3 0.00 -0.03 0.07 -0.04 1.99 1.99 1zp0B1 GLU 150 HG2 0.00 -0.07 0.09 -0.04 2.34 2.33 1zp0B1 GLU 150 HG3 -0.00 0.31 0.18 -0.04 2.34 2.78 1zp0B1 LYS 151 H -0.02 0.29 -0.47 -0.55 8.42 7.66 1zp0B1 LYS 151 HA -0.01 0.03 0.36 -0.75 4.32 3.95 1zp0B1 LYS 151 HB2 -0.06 0.23 0.08 -0.04 1.87 2.09 1zp0B1 LYS 151 HB3 -0.07 -0.02 0.09 -0.04 1.79 1.75 1zp0B1 LYS 151 HG2 -0.01 -0.05 0.02 -0.04 1.46 1.38 1zp0B1 LYS 151 HG3 -0.02 0.07 0.04 -0.04 1.46 1.51 1zp0B1 LYS 151 HD2 -0.03 0.06 0.11 -0.04 1.69 1.79 1zp0B1 LYS 151 HD3 -0.03 0.01 0.05 -0.04 1.68 1.67 1zp0B1 LYS 151 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 1zp0B1 LYS 151 HE3 -0.01 -0.08 -0.09 -0.04 2.99 2.77 1zp0B1 LEU 152 H -0.03 0.43 -0.49 -0.55 8.37 7.73 1zp0B1 LEU 152 HA -0.07 0.15 0.66 -0.75 4.35 4.34 1zp0B1 LEU 152 HB2 -0.07 0.13 0.09 -0.04 1.64 1.76 1zp0B1 LEU 152 HB3 -0.05 -0.16 0.08 -0.04 1.64 1.48 1zp0B1 LEU 152 HG -0.10 0.09 0.03 -0.04 1.64 1.61 1zp0B1 LEU 152 HD13 -0.18 -0.03 0.01 -0.04 0.93 0.69 1zp0B1 LEU 152 HD23 -0.21 -0.00 -0.11 -0.04 0.89 0.53 1zp0B1 ASP 153 H 0.05 0.38 -0.11 -0.55 8.40 8.17 1zp0B1 ASP 153 HA 0.21 -0.10 0.45 -0.75 4.63 4.43 1zp0B1 ASP 153 HB2 0.04 0.25 0.21 -0.04 2.71 3.16 1zp0B1 ASP 153 HB3 0.04 -0.03 0.03 -0.04 2.70 2.69 1zp0B1 GLY 154 H -0.11 0.06 0.20 -0.55 8.43 8.03 1zp0B1 GLY 154 HA2 -0.08 0.00 0.33 -0.51 4.01 3.75 1zp0B1 GLY 154 HA3 -0.02 0.22 0.66 -0.51 4.01 4.35 1zp0B1 LEU 155 H -0.02 0.46 -0.06 -0.55 8.37 8.19 1zp0B1 LEU 155 HA -0.02 0.11 0.93 -0.75 4.35 4.61 1zp0B1 LEU 155 HB2 -0.03 0.15 0.16 -0.04 1.64 1.88 1zp0B1 LEU 155 HB3 -0.05 -0.05 0.01 -0.04 1.64 1.51 1zp0B1 LEU 155 HG 0.02 0.13 -0.30 -0.04 1.64 1.45 1zp0B1 LEU 155 HD13 -0.16 -0.00 -0.06 -0.04 0.93 0.67 1zp0B1 LEU 155 HD23 0.15 -0.00 -0.13 -0.04 0.89 0.87 1zp0B1 TYR 156 H 0.09 0.38 0.21 -0.55 8.29 8.41 1zp0B1 TYR 156 HA -0.10 0.15 0.49 -0.75 4.56 4.34 1zp0B1 TYR 156 HB2 -0.11 0.05 0.11 -0.04 3.06 3.06 1zp0B1 TYR 156 HB3 -0.15 0.05 0.11 -0.04 2.98 2.95 1zp0B1 TYR 156 HD2 -0.05 0.11 -0.16 -0.04 7.15 7.00 1zp0B1 TYR 156 HE2 -0.03 -0.00 -0.07 -0.04 6.85 6.71 1zp0B1 GLU 157 H -0.48 -0.01 -0.41 -0.55 8.60 7.16 1zp0B1 GLU 157 HA -0.37 0.20 0.48 -0.75 4.29 3.84 1zp0B1 GLU 157 HB2 -0.26 -0.02 -0.09 -0.04 2.09 1.67 1zp0B1 GLU 157 HB3 -0.23 0.04 0.07 -0.04 1.99 1.83 1zp0B1 GLU 157 HG2 -0.34 0.07 0.00 -0.04 2.34 2.03 1zp0B1 GLU 157 HG3 -1.21 0.04 -0.07 -0.04 2.34 1.06 1zp0B1 CYS 158 H -0.11 0.24 -0.54 -0.55 8.50 7.55 1zp0B1 CYS 158 HA -0.05 -0.15 0.32 -0.75 4.58 3.95 1zp0B1 CYS 158 HB2 -0.04 0.04 0.08 -0.04 2.97 3.01 1zp0B1 CYS 158 HB3 -0.02 0.17 0.06 -0.04 2.97 3.14 1zp0B1 ILE 159 H -0.02 -0.07 0.18 -0.55 8.25 7.78 1zp0B1 ILE 159 HA 0.00 0.35 0.67 -0.75 4.18 4.45 1zp0B1 ILE 159 HB -0.01 -0.23 -0.08 -0.04 1.89 1.53 1zp0B1 ILE 159 HG12 -0.03 0.02 0.03 -0.04 1.49 1.47 1zp0B1 ILE 159 HG13 -0.02 -0.06 -0.05 -0.04 1.21 1.04 1zp0B1 ILE 159 HG23 0.01 0.04 -0.48 -0.04 0.93 0.45 1zp0B1 ILE 159 HD13 -0.01 0.14 -0.06 -0.04 0.88 0.91 1zp0B1 LEU 160 H 0.01 -0.07 -0.09 -0.55 8.37 7.66 1zp0B1 LEU 160 HA 0.12 -0.13 0.27 -0.75 4.35 3.86 1zp0B1 LEU 160 HB2 0.06 0.34 -0.16 -0.04 1.64 1.84 1zp0B1 LEU 160 HB3 0.26 0.00 0.16 -0.04 1.64 2.02 1zp0B1 LEU 160 HG -0.13 0.04 -0.26 -0.04 1.64 1.25 1zp0B1 LEU 160 HD13 -0.39 0.03 -0.07 -0.04 0.93 0.46 1zp0B1 LEU 160 HD23 -0.27 -0.03 -0.07 -0.04 0.89 0.48 1zp0B1 CYS 161 H -0.01 -0.10 -0.01 -0.55 8.50 7.83 1zp0B1 CYS 161 HA -0.05 0.48 0.65 -0.75 4.58 4.90 1zp0B1 CYS 161 HB2 -0.05 0.05 0.06 -0.04 2.97 2.99 1zp0B1 CYS 161 HB3 -0.03 -0.02 0.02 -0.04 2.97 2.90 1zp0B1 ALA 162 H -0.12 -0.10 -0.04 -0.55 8.40 7.59 1zp0B1 ALA 162 HA -0.41 -0.11 0.23 -0.75 4.34 3.29 1zp0B1 ALA 162 HB3 -1.11 0.18 0.08 -0.04 1.41 0.51 1zp0B1 CYS 163 H -0.12 -0.08 -0.25 -0.55 8.50 7.50 1zp0B1 CYS 163 HA -0.07 0.23 0.23 -0.75 4.58 4.21 1zp0B1 CYS 163 HB2 -0.05 -0.08 -0.06 -0.04 2.97 2.74 1zp0B1 CYS 163 HB3 -0.04 0.21 -0.20 -0.04 2.97 2.90 1zp0B1 CYS 164 H -0.07 -0.07 -0.13 -0.55 8.50 7.68 1zp0B1 CYS 164 HA -0.07 0.25 0.35 -0.75 4.58 4.35 1zp0B1 CYS 164 HB2 -0.07 -0.09 0.01 -0.04 2.97 2.79 1zp0B1 CYS 164 HB3 -0.05 0.09 0.05 -0.04 2.97 3.02 1zp0B1 SER 165 H -0.12 -0.02 -0.06 -0.55 8.46 7.72 1zp0B1 SER 165 HA -0.27 -0.04 0.42 -0.75 4.49 3.84 1zp0B1 SER 165 HB2 -0.25 0.08 0.06 -0.04 3.95 3.80 1zp0B1 SER 165 HB3 -1.15 0.22 0.02 -0.04 3.93 2.99 1zp0B1 THR 166 H -0.13 0.33 -0.51 -0.55 8.28 7.41 1zp0B1 THR 166 HA 0.25 0.15 0.35 -0.75 4.39 4.39 1zp0B1 THR 166 HB -0.07 0.08 0.07 -0.04 4.32 4.36 1zp0B1 THR 166 HG23 0.01 -0.02 -0.09 -0.04 1.22 1.07 1zp0B1 SER 167 H -0.06 0.43 -0.64 -0.55 8.46 7.65 1zp0B1 SER 167 HA 0.18 0.19 0.82 -0.75 4.49 4.92 1zp0B1 SER 167 HB2 -0.03 -0.05 0.06 -0.04 3.95 3.89 1zp0B1 SER 167 HB3 -0.00 0.17 -0.01 -0.04 3.93 4.05 1zp0B1 CYS 168 H -0.22 0.37 -0.02 -0.55 8.50 8.08 1zp0B1 CYS 168 HA -0.43 0.09 0.74 -0.75 4.58 4.22 1zp0B1 CYS 168 HB2 -0.13 -0.10 0.10 -0.04 2.97 2.80 1zp0B1 CYS 168 HB3 -0.06 0.22 0.27 -0.04 2.97 3.36 1zp0B1 PRO 169 HA -1.41 0.15 0.39 -0.51 4.44 3.07 1zp0B1 PRO 169 HB2 -0.25 -0.02 0.08 -0.04 2.28 2.06 1zp0B1 PRO 169 HB3 -0.33 0.11 0.09 -0.04 2.02 1.84 1zp0B1 PRO 169 HG2 -0.33 0.06 0.11 -0.04 2.03 1.83 1zp0B1 PRO 169 HG3 -0.95 0.15 0.09 -0.04 2.03 1.28 1zp0B1 PRO 169 HD2 -0.37 -0.07 0.27 -0.04 3.68 3.47 1zp0B1 PRO 169 HD3 -0.63 0.40 0.42 -0.04 3.65 3.79 1zp0B1 SER 170 H -0.25 0.05 -0.17 -0.55 8.46 7.54 1zp0B1 SER 170 HA 0.01 0.14 0.43 -0.75 4.49 4.32 1zp0B1 SER 170 HB2 -0.22 -0.17 -0.02 -0.04 3.95 3.50 1zp0B1 SER 170 HB3 -0.49 0.07 -0.10 -0.04 3.93 3.37 1zp0B1 TYR 171 H 0.03 0.10 -0.35 -0.55 8.29 7.51 1zp0B1 TYR 171 HA 0.27 0.11 0.27 -0.75 4.56 4.45 1zp0B1 TYR 171 HB2 0.09 -0.27 0.12 -0.04 3.06 2.96 1zp0B1 TYR 171 HB3 -0.02 0.32 0.10 -0.04 2.98 3.34 1zp0B1 TYR 171 HD2 0.02 0.02 -0.21 -0.04 7.15 6.93 1zp0B1 TYR 171 HE2 0.03 0.13 -0.14 -0.04 6.85 6.83 1zp0B1 TRP 172 H -0.22 0.21 -0.33 -0.55 7.97 7.08 1zp0B1 TRP 172 HA -0.65 0.13 0.38 -0.75 4.62 3.73 1zp0B1 TRP 172 HB2 -1.37 0.18 0.20 -0.04 3.23 2.20 1zp0B1 TRP 172 HB3 -1.18 -0.04 -0.04 -0.04 3.23 1.93 1zp0B1 TRP 172 HD1 -0.11 0.02 -0.26 -0.04 7.22 6.83 1zp0B1 TRP 172 HE1 -0.07 0.39 -0.45 -0.04 10.20 10.02 1zp0B1 TRP 172 HE3 -0.85 0.01 -0.02 -0.04 7.59 6.69 1zp0B1 TRP 172 HZ2 -0.09 0.05 -0.04 -0.04 7.44 7.31 1zp0B1 TRP 172 HZ3 -0.09 -0.01 -0.02 -0.04 7.13 6.97 1zp0B1 TRP 172 HH2 -0.08 0.01 -0.02 -0.04 7.19 7.06 1zp0B1 TRP 173 H -0.22 0.38 -0.11 -0.55 7.97 7.47 1zp0B1 TRP 173 HA -0.00 0.11 0.59 -0.75 4.62 4.56 1zp0B1 TRP 173 HB2 0.06 0.01 0.08 -0.04 3.23 3.34 1zp0B1 TRP 173 HB3 0.06 -0.03 0.05 -0.04 3.23 3.28 1zp0B1 TRP 173 HD1 0.06 -0.05 -0.06 -0.04 7.22 7.12 1zp0B1 TRP 173 HE1 0.10 -0.05 -0.03 -0.04 10.20 10.18 1zp0B1 TRP 173 HE3 0.09 0.10 -0.20 -0.04 7.59 7.54 1zp0B1 TRP 173 HZ2 0.23 -0.02 -0.01 -0.04 7.44 7.60 1zp0B1 TRP 173 HZ3 0.18 0.01 -0.06 -0.04 7.13 7.22 1zp0B1 TRP 173 HH2 0.15 -0.01 -0.02 -0.04 7.19 7.27 1zp0B1 ASN 174 H 0.14 0.58 -0.15 -0.55 8.53 8.55 1zp0B1 ASN 174 HA 0.10 0.18 0.91 -0.75 4.76 5.19 1zp0B1 ASN 174 HB2 0.23 0.06 0.15 -0.04 2.88 3.28 1zp0B1 ASN 174 HB3 0.21 -0.13 0.16 -0.04 2.79 2.99 1zp0B1 ASN 174 HD21 0.28 0.01 -0.06 -0.04 7.03 7.22 1zp0B1 ASN 174 HD22 0.24 -0.05 -0.01 -0.04 7.74 7.87 1zp0B1 GLY 175 H -0.13 0.34 -0.21 -0.55 8.43 7.88 1zp0B1 GLY 175 HA2 -0.71 0.04 0.43 -0.51 4.01 3.26 1zp0B1 GLY 175 HA3 -0.65 0.12 0.34 -0.51 4.01 3.31 1zp0B1 ASP 176 H -0.04 0.02 -0.43 -0.55 8.40 7.40 1zp0B1 ASP 176 HA -0.01 0.09 0.41 -0.75 4.63 4.36 1zp0B1 ASP 176 HB2 -0.01 0.01 -0.01 -0.04 2.71 2.66 1zp0B1 ASP 176 HB3 0.01 -0.00 0.03 -0.04 2.70 2.69 1zp0B1 LYS 177 H -0.02 0.07 -0.15 -0.55 8.42 7.77 1zp0B1 LYS 177 HA 0.00 0.25 0.86 -0.75 4.32 4.68 1zp0B1 LYS 177 HB2 -0.36 -0.01 0.01 -0.04 1.87 1.47 1zp0B1 LYS 177 HB3 -0.11 -0.10 -0.06 -0.04 1.79 1.48 1zp0B1 LYS 177 HG2 -0.18 -0.01 -0.03 -0.04 1.46 1.20 1zp0B1 LYS 177 HG3 -0.11 0.09 -0.22 -0.04 1.46 1.18 1zp0B1 LYS 177 HD2 -0.22 0.02 -0.07 -0.04 1.69 1.38 1zp0B1 LYS 177 HD3 -0.29 -0.03 -0.09 -0.04 1.68 1.23 1zp0B1 LYS 177 HE2 -1.87 -0.00 -0.05 -0.04 2.99 1.02 1zp0B1 LYS 177 HE3 -0.75 -0.01 -0.04 -0.04 2.99 2.15 1zp0B1 TYR 178 H 0.19 0.59 0.02 -0.55 8.29 8.54 1zp0B1 TYR 178 HA 0.14 0.17 0.41 -0.75 4.56 4.53 1zp0B1 TYR 178 HB2 0.17 -0.03 -0.01 -0.04 3.06 3.16 1zp0B1 TYR 178 HB3 0.09 0.18 -0.01 -0.04 2.98 3.19 1zp0B1 TYR 178 HD2 0.12 0.26 -0.27 -0.04 7.15 7.22 1zp0B1 TYR 178 HE2 -0.00 0.03 -0.04 -0.04 6.85 6.79 1zp0B1 LEU 179 H -0.03 0.40 0.24 -0.55 8.37 8.43 1zp0B1 LEU 179 HA -0.01 0.12 0.31 -0.75 4.35 4.01 1zp0B1 LEU 179 HB2 -0.14 0.10 0.15 -0.04 1.64 1.71 1zp0B1 LEU 179 HB3 -0.09 -0.12 -0.00 -0.04 1.64 1.39 1zp0B1 LEU 179 HG 0.02 -0.02 0.15 -0.04 1.64 1.75 1zp0B1 LEU 179 HD13 -0.01 0.01 -0.07 -0.04 0.93 0.81 1zp0B1 LEU 179 HD23 0.01 0.02 -0.04 -0.04 0.89 0.84 1zp0B1 GLY 180 H -1.49 0.09 -0.24 -0.55 8.43 6.24 1zp0B1 GLY 180 HA2 -0.57 -0.00 0.28 -0.51 4.01 3.21 1zp0B1 GLY 180 HA3 -0.43 0.15 0.59 -0.51 4.01 3.81 1zp0B1 PRO 181 HA -0.07 0.14 0.38 -0.51 4.44 4.38 1zp0B1 PRO 181 HB2 -0.08 -0.10 0.05 -0.04 2.28 2.11 1zp0B1 PRO 181 HB3 -0.05 -0.04 0.02 -0.04 2.02 1.91 1zp0B1 PRO 181 HG2 -0.09 0.05 -0.09 -0.04 2.03 1.86 1zp0B1 PRO 181 HG3 -0.02 0.05 0.04 -0.04 2.03 2.07 1zp0B1 PRO 181 HD2 -0.24 0.01 0.23 -0.04 3.68 3.63 1zp0B1 PRO 181 HD3 -0.11 0.21 0.21 -0.04 3.65 3.92 1zp0B1 ALA 182 H -0.08 0.04 -0.01 -0.55 8.40 7.80 1zp0B1 ALA 182 HA -0.01 0.02 0.37 -0.75 4.34 3.96 1zp0B1 ALA 182 HB3 0.10 -0.00 0.08 -0.04 1.41 1.54 1zp0B1 VAL 183 H -0.13 0.17 -0.23 -0.55 8.24 7.50 1zp0B1 VAL 183 HA 0.02 0.07 0.36 -0.75 4.13 3.83 1zp0B1 VAL 183 HB -0.10 0.13 -0.07 -0.04 2.12 2.03 1zp0B1 VAL 183 HG13 0.02 0.03 -0.20 -0.04 0.97 0.77 1zp0B1 VAL 183 HG23 -0.22 -0.04 -0.04 -0.04 0.95 0.61 1zp0B1 LEU 184 H -0.08 0.45 -0.22 -0.55 8.37 7.98 1zp0B1 LEU 184 HA -0.00 0.10 0.35 -0.75 4.35 4.04 1zp0B1 LEU 184 HB2 -0.06 -0.06 0.12 -0.04 1.64 1.59 1zp0B1 LEU 184 HB3 -0.03 -0.04 -0.02 -0.04 1.64 1.50 1zp0B1 LEU 184 HG -0.15 0.18 0.01 -0.04 1.64 1.63 1zp0B1 LEU 184 HD13 0.01 -0.04 0.00 -0.04 0.93 0.86 1zp0B1 LEU 184 HD23 -0.03 0.04 -0.02 -0.04 0.89 0.83 1zp0B1 MET 185 H -0.00 0.62 -0.18 -0.55 8.47 8.36 1zp0B1 MET 185 HA 0.07 0.03 0.43 -0.75 4.52 4.29 1zp0B1 MET 185 HB2 -0.00 -0.14 0.12 -0.04 2.15 2.08 1zp0B1 MET 185 HB3 0.01 0.11 0.16 -0.04 2.03 2.27 1zp0B1 MET 185 HG2 0.04 0.08 -0.19 -0.04 2.63 2.52 1zp0B1 MET 185 HG3 0.08 0.01 0.05 -0.04 2.56 2.66 1zp0B1 MET 185 HE3 0.01 0.05 -0.21 -0.04 2.10 1.91 1zp0B1 GLN 186 H 0.07 0.43 -0.08 -0.55 8.47 8.35 1zp0B1 GLN 186 HA 0.06 0.01 0.45 -0.75 4.36 4.13 1zp0B1 GLN 186 HB2 0.25 0.14 0.16 -0.04 2.15 2.66 1zp0B1 GLN 186 HB3 0.43 0.02 -0.00 -0.04 2.02 2.43 1zp0B1 GLN 186 HG2 0.04 0.05 0.07 -0.04 2.40 2.52 1zp0B1 GLN 186 HG3 0.14 0.01 -0.00 -0.04 2.39 2.49 1zp0B1 GLN 186 HE21 -0.02 0.01 -0.04 -0.04 6.97 6.89 1zp0B1 GLN 186 HE22 0.20 0.03 0.00 -0.04 7.69 7.88 1zp0B1 ALA 187 H 0.13 0.52 -0.21 -0.55 8.40 8.29 1zp0B1 ALA 187 HA 0.20 0.10 0.36 -0.75 4.34 4.25 1zp0B1 ALA 187 HB3 0.07 0.05 0.06 -0.04 1.41 1.56 1zp0B1 TYR 188 H 0.19 0.36 -0.38 -0.55 8.29 7.91 1zp0B1 TYR 188 HA 0.01 0.02 0.45 -0.75 4.56 4.29 1zp0B1 TYR 188 HB2 -0.01 0.00 0.09 -0.04 3.06 3.11 1zp0B1 TYR 188 HB3 -0.01 0.21 0.20 -0.04 2.98 3.33 1zp0B1 TYR 188 HD2 -0.01 -0.00 -0.02 -0.04 7.15 7.08 1zp0B1 TYR 188 HE2 -0.01 0.02 -0.06 -0.04 6.85 6.76 1zp0B1 ARG 189 H 0.02 0.43 -0.11 -0.55 8.46 8.25 1zp0B1 ARG 189 HA -0.29 -0.00 0.31 -0.75 4.34 3.61 1zp0B1 ARG 189 HB2 -0.13 -0.01 0.10 -0.04 1.90 1.81 1zp0B1 ARG 189 HB3 -0.45 0.20 0.10 -0.04 1.80 1.61 1zp0B1 ARG 189 HG2 -0.34 -0.03 0.00 -0.04 1.67 1.27 1zp0B1 ARG 189 HG3 -0.19 -0.09 -0.27 -0.04 1.67 1.08 1zp0B1 ARG 189 HD2 -0.45 -0.06 -0.07 -0.04 3.22 2.61 1zp0B1 ARG 189 HD3 -0.99 0.07 -0.12 -0.04 3.22 2.14 1zp0B1 TRP 190 H 0.05 0.47 -0.39 -0.55 7.97 7.54 1zp0B1 TRP 190 HA -0.05 0.01 0.58 -0.75 4.62 4.41 1zp0B1 TRP 190 HB2 -0.06 0.17 0.06 -0.04 3.23 3.36 1zp0B1 TRP 190 HB3 -0.07 -0.05 0.03 -0.04 3.23 3.10 1zp0B1 TRP 190 HD1 -0.02 0.14 -0.15 -0.04 7.22 7.15 1zp0B1 TRP 190 HE1 0.05 -0.00 -0.10 -0.04 10.20 10.11 1zp0B1 TRP 190 HE3 -0.02 -0.03 -0.06 -0.04 7.59 7.44 1zp0B1 TRP 190 HZ2 0.06 0.08 -0.16 -0.04 7.44 7.37 1zp0B1 TRP 190 HZ3 0.02 -0.08 -0.10 -0.04 7.13 6.93 1zp0B1 TRP 190 HH2 0.04 -0.03 -0.06 -0.04 7.19 7.10 1zp0B1 MET 191 H 0.04 0.32 -0.25 -0.55 8.47 8.02 1zp0B1 MET 191 HA 0.06 -0.02 0.47 -0.75 4.52 4.27 1zp0B1 MET 191 HB2 0.02 0.08 0.24 -0.04 2.15 2.44 1zp0B1 MET 191 HB3 0.04 -0.08 -0.01 -0.04 2.03 1.93 1zp0B1 MET 191 HG2 0.04 -0.07 0.02 -0.04 2.63 2.58 1zp0B1 MET 191 HG3 0.09 0.31 0.03 -0.04 2.56 2.95 1zp0B1 MET 191 HE3 0.05 0.01 -0.22 -0.04 2.10 1.90 1zp0B1 ILE 192 H -0.26 0.49 -0.18 -0.55 8.25 7.75 1zp0B1 ILE 192 HA -0.08 0.17 0.71 -0.75 4.18 4.22 1zp0B1 ILE 192 HB -0.15 -0.07 0.13 -0.04 1.89 1.75 1zp0B1 ILE 192 HG12 -0.21 -0.08 -0.22 -0.04 1.49 0.94 1zp0B1 ILE 192 HG13 -0.36 0.02 -0.05 -0.04 1.21 0.78 1zp0B1 ILE 192 HG23 -0.47 0.03 -0.05 -0.04 0.93 0.40 1zp0B1 ILE 192 HD13 -0.48 0.06 -0.09 -0.04 0.88 0.32 1zp0B1 ASP 193 H -0.04 0.32 -0.60 -0.55 8.40 7.54 1zp0B1 ASP 193 HA -0.08 0.10 0.72 -0.75 4.63 4.62 1zp0B1 ASP 193 HB2 -0.15 0.23 0.12 -0.04 2.71 2.87 1zp0B1 ASP 193 HB3 0.11 0.03 0.19 -0.04 2.70 2.99 1zp0B1 SER 194 H -0.03 0.24 0.15 -0.55 8.46 8.28 1zp0B1 SER 194 HA -0.01 0.11 0.28 -0.75 4.49 4.12 1zp0B1 SER 194 HB2 -0.01 -0.01 0.12 -0.04 3.95 4.01 1zp0B1 SER 194 HB3 -0.02 0.02 0.16 -0.04 3.93 4.05 1zp0B1 ARG 195 H 0.03 -0.04 -0.63 -0.55 8.46 7.26 1zp0B1 ARG 195 HA -0.05 0.13 0.63 -0.75 4.34 4.30 1zp0B1 ARG 195 HB2 0.11 -0.01 -0.04 -0.04 1.90 1.92 1zp0B1 ARG 195 HB3 0.01 -0.04 0.02 -0.04 1.80 1.75 1zp0B1 ARG 195 HG2 0.04 0.06 -0.09 -0.04 1.67 1.64 1zp0B1 ARG 195 HG3 0.03 -0.09 -0.11 -0.04 1.67 1.46 1zp0B1 ARG 195 HD2 0.25 -0.04 -0.08 -0.04 3.22 3.31 1zp0B1 ARG 195 HD3 0.10 0.02 -0.18 -0.04 3.22 3.12 1zp0B1 ASP 196 H 0.08 0.58 0.02 -0.55 8.40 8.53 1zp0B1 ASP 196 HA 0.11 -0.01 0.61 -0.75 4.63 4.59 1zp0B1 ASP 196 HB2 0.24 -0.05 0.19 -0.04 2.71 3.05 1zp0B1 ASP 196 HB3 0.13 0.16 0.14 -0.04 2.70 3.09 1zp0B1 ASP 197 H 0.24 0.64 0.39 -0.55 8.40 9.12 1zp0B1 ASP 197 HA 0.04 0.26 1.01 -0.75 4.63 5.19 1zp0B1 ASP 197 HB2 0.20 -0.01 0.15 -0.04 2.71 3.02 1zp0B1 ASP 197 HB3 -0.04 -0.03 0.26 -0.04 2.70 2.85 1zp0B1 PHE 198 H 0.29 0.18 -0.03 -0.55 8.34 8.22 1zp0B1 PHE 198 HA -0.02 0.21 1.01 -0.75 4.62 5.07 1zp0B1 PHE 198 HB2 -0.05 0.08 0.10 -0.04 3.15 3.24 1zp0B1 PHE 198 HB3 -0.05 -0.03 0.18 -0.04 3.06 3.12 1zp0B1 PHE 198 HD2 -0.02 -0.07 -0.18 -0.04 7.28 6.96 1zp0B1 PHE 198 HE2 -0.01 -0.04 -0.34 -0.04 7.38 6.95 1zp0B1 PHE 198 HZ -0.01 0.03 -0.11 -0.04 7.32 7.19 1zp0B1 THR 199 H 0.04 0.22 -0.18 -0.55 8.28 7.80 1zp0B1 THR 199 HA 0.03 0.13 0.39 -0.75 4.39 4.18 1zp0B1 THR 199 HB -0.02 -0.09 0.10 -0.04 4.32 4.27 1zp0B1 THR 199 HG23 -0.02 0.00 -0.05 -0.04 1.22 1.11 1zp0B1 GLU 200 H -0.06 0.12 -0.11 -0.55 8.60 8.01 1zp0B1 GLU 200 HA -0.27 0.09 0.36 -0.75 4.29 3.71 1zp0B1 GLU 200 HB2 -0.03 0.01 0.11 -0.04 2.09 2.14 1zp0B1 GLU 200 HB3 -0.06 -0.04 0.07 -0.04 1.99 1.91 1zp0B1 GLU 200 HG2 0.03 -0.02 -0.21 -0.04 2.34 2.09 1zp0B1 GLU 200 HG3 0.10 0.03 0.02 -0.04 2.34 2.45 1zp0B1 GLU 201 H -0.03 0.09 -0.25 -0.55 8.60 7.87 1zp0B1 GLU 201 HA -0.00 0.08 0.51 -0.75 4.29 4.12 1zp0B1 GLU 201 HB2 0.11 0.06 -0.03 -0.04 2.09 2.19 1zp0B1 GLU 201 HB3 0.05 -0.00 0.08 -0.04 1.99 2.07 1zp0B1 GLU 201 HG2 0.14 0.15 0.10 -0.04 2.34 2.69 1zp0B1 GLU 201 HG3 0.42 0.02 0.03 -0.04 2.34 2.77 1zp0B1 ARG 202 H 0.00 0.46 -0.23 -0.55 8.46 8.14 1zp0B1 ARG 202 HA -0.01 0.08 0.47 -0.75 4.34 4.13 1zp0B1 ARG 202 HB2 0.00 0.10 0.17 -0.04 1.90 2.13 1zp0B1 ARG 202 HB3 0.01 -0.03 0.01 -0.04 1.80 1.75 1zp0B1 ARG 202 HG2 -0.03 0.06 0.02 -0.04 1.67 1.68 1zp0B1 ARG 202 HG3 0.06 0.18 0.01 -0.04 1.67 1.88 1zp0B1 ARG 202 HD2 0.08 -0.06 -0.21 -0.04 3.22 2.99 1zp0B1 ARG 202 HD3 0.08 0.04 -0.11 -0.04 3.22 3.19 1zp0B1 LEU 203 H -0.14 0.43 -0.16 -0.55 8.37 7.95 1zp0B1 LEU 203 HA -0.06 0.04 0.48 -0.75 4.35 4.06 1zp0B1 LEU 203 HB2 -0.66 0.13 0.12 -0.04 1.64 1.20 1zp0B1 LEU 203 HB3 -0.34 -0.02 -0.04 -0.04 1.64 1.20 1zp0B1 LEU 203 HG -0.14 0.09 0.00 -0.04 1.64 1.55 1zp0B1 LEU 203 HD13 -0.31 -0.01 -0.13 -0.04 0.93 0.43 1zp0B1 LEU 203 HD23 -0.01 -0.02 -0.06 -0.04 0.89 0.77 1zp0B1 ALA 204 H -0.12 0.45 -0.08 -0.55 8.40 8.11 1zp0B1 ALA 204 HA 0.12 0.02 0.36 -0.75 4.34 4.10 1zp0B1 ALA 204 HB3 0.06 0.03 0.10 -0.04 1.41 1.56 1zp0B1 LYS 205 H 0.01 0.33 -0.63 -0.55 8.42 7.57 1zp0B1 LYS 205 HA 0.04 0.01 0.38 -0.75 4.32 4.00 1zp0B1 LYS 205 HB2 0.00 0.16 0.13 -0.04 1.87 2.13 1zp0B1 LYS 205 HB3 0.01 -0.01 -0.05 -0.04 1.79 1.70 1zp0B1 LYS 205 HG2 -0.01 0.08 0.06 -0.04 1.46 1.54 1zp0B1 LYS 205 HG3 0.01 -0.07 0.10 -0.04 1.46 1.46 1zp0B1 LYS 205 HD2 0.02 -0.06 -0.00 -0.04 1.69 1.61 1zp0B1 LYS 205 HD3 0.01 0.13 0.03 -0.04 1.68 1.81 1zp0B1 LYS 205 HE2 0.02 -0.07 -0.01 -0.04 2.99 2.89 1zp0B1 LYS 205 HE3 -0.01 0.05 0.00 -0.04 2.99 2.99 1zp0B1 LEU 206 H 0.04 0.61 -0.52 -0.55 8.37 7.94 1zp0B1 LEU 206 HA 0.05 0.06 0.74 -0.75 4.35 4.44 1zp0B1 LEU 206 HB2 0.02 0.19 0.09 -0.04 1.64 1.90 1zp0B1 LEU 206 HB3 -0.03 -0.21 0.15 -0.04 1.64 1.51 1zp0B1 LEU 206 HG 0.00 0.21 -0.03 -0.04 1.64 1.77 1zp0B1 LEU 206 HD13 -0.02 -0.03 -0.03 -0.04 0.93 0.81 1zp0B1 LEU 206 HD23 0.01 -0.01 -0.15 -0.04 0.89 0.69 1zp0B1 GLN 207 H 0.09 0.51 -0.39 -0.55 8.47 8.14 1zp0B1 GLN 207 HA 0.19 0.09 0.63 -0.75 4.36 4.51 1zp0B1 GLN 207 HB2 0.10 0.19 0.26 -0.04 2.15 2.66 1zp0B1 GLN 207 HB3 0.11 -0.08 0.17 -0.04 2.02 2.18 1zp0B1 GLN 207 HG2 0.17 0.05 -0.00 -0.04 2.40 2.58 1zp0B1 GLN 207 HG3 0.18 -0.05 0.07 -0.04 2.39 2.55 1zp0B1 GLN 207 HE21 0.17 0.07 -0.01 -0.04 6.97 7.15 1zp0B1 GLN 207 HE22 0.39 -0.02 -0.06 -0.04 7.69 7.96 1zp0B1 ASP 208 H 0.20 0.60 0.13 -0.55 8.40 8.77 1zp0B1 ASP 208 HA 0.11 0.14 0.52 -0.75 4.63 4.65 1zp0B1 ASP 208 HB2 0.17 -0.01 0.14 -0.04 2.71 2.96 1zp0B1 ASP 208 HB3 0.12 0.18 -0.13 -0.04 2.70 2.82 1zp0B1 PRO 209 HA 0.04 0.17 0.61 -0.51 4.44 4.76 1zp0B1 PRO 209 HB2 -0.38 0.04 0.05 -0.04 2.28 1.95 1zp0B1 PRO 209 HB3 -0.10 0.05 0.07 -0.04 2.02 2.00 1zp0B1 PRO 209 HG2 0.05 0.01 -0.01 -0.04 2.03 2.05 1zp0B1 PRO 209 HG3 0.04 0.06 0.04 -0.04 2.03 2.13 1zp0B1 PRO 209 HD2 0.17 0.11 0.20 -0.04 3.68 4.12 1zp0B1 PRO 209 HD3 0.07 0.16 0.14 -0.04 3.65 3.98 1zp0B1 PHE 210 H 0.26 0.05 -0.29 -0.55 8.34 7.81 1zp0B1 PHE 210 HA 0.10 0.26 1.01 -0.75 4.62 5.25 1zp0B1 PHE 210 HB2 0.09 0.01 0.00 -0.04 3.15 3.21 1zp0B1 PHE 210 HB3 0.12 0.02 -0.40 -0.04 3.06 2.75 1zp0B1 PHE 210 HD2 0.07 -0.02 -0.08 -0.04 7.28 7.21 1zp0B1 PHE 210 HE2 0.05 0.01 -0.05 -0.04 7.38 7.35 1zp0B1 PHE 210 HZ 0.05 0.01 -0.05 -0.04 7.32 7.28 1zp0B1 SER 211 H 0.25 0.10 0.04 -0.55 8.46 8.30 1zp0B1 SER 211 HA 0.17 0.11 0.51 -0.75 4.49 4.52 1zp0B1 SER 211 HB2 0.10 -0.02 0.13 -0.04 3.95 4.12 1zp0B1 SER 211 HB3 0.06 0.04 0.04 -0.04 3.93 4.03 1zp0B1 LEU 212 H 0.06 0.09 -0.22 -0.55 8.37 7.75 1zp0B1 LEU 212 HA 0.09 0.13 1.05 -0.75 4.35 4.86 1zp0B1 LEU 212 HB2 -0.12 0.03 -0.00 -0.04 1.64 1.50 1zp0B1 LEU 212 HB3 -0.31 0.14 0.14 -0.04 1.64 1.56 1zp0B1 LEU 212 HG -0.78 0.02 -0.36 -0.04 1.64 0.48 1zp0B1 LEU 212 HD13 -0.13 -0.02 0.02 -0.04 0.93 0.75 1zp0B1 LEU 212 HD23 -0.40 0.03 -0.07 -0.04 0.89 0.40 1zp0B1 TYR 213 H -0.06 0.14 -0.06 -0.55 8.29 7.76 1zp0B1 TYR 213 HA -0.05 0.10 0.42 -0.75 4.56 4.28 1zp0B1 TYR 213 HB2 -0.06 0.07 0.05 -0.04 3.06 3.08 1zp0B1 TYR 213 HB3 -0.06 0.02 0.18 -0.04 2.98 3.07 1zp0B1 TYR 213 HD2 -0.00 0.13 0.08 -0.04 7.15 7.31 1zp0B1 TYR 213 HE2 0.03 0.04 0.01 -0.04 6.85 6.88 1zp0B1 ARG 214 H -0.15 0.21 -0.57 -0.55 8.46 7.41 1zp0B1 ARG 214 HA -0.34 0.18 0.62 -0.75 4.34 4.04 1zp0B1 ARG 214 HB2 -0.43 0.18 0.02 -0.04 1.90 1.63 1zp0B1 ARG 214 HB3 -0.99 -0.15 -0.07 -0.04 1.80 0.55 1zp0B1 ARG 214 HG2 0.17 -0.02 0.01 -0.04 1.67 1.79 1zp0B1 ARG 214 HG3 -0.06 -0.06 0.06 -0.04 1.67 1.57 1zp0B1 ARG 214 HD2 -0.20 0.12 -0.03 -0.04 3.22 3.07 1zp0B1 ARG 214 HD3 -0.37 -0.06 -0.03 -0.04 3.22 2.71 1zp0B1 CYS 215 H -0.31 0.38 -0.09 -0.55 8.50 7.93 1zp0B1 CYS 215 HA -0.34 -0.12 0.53 -0.75 4.58 3.89 1zp0B1 CYS 215 HB2 0.08 -0.08 0.09 -0.04 2.97 3.03 1zp0B1 CYS 215 HB3 -0.05 0.32 0.20 -0.04 2.97 3.40 1zp0B1 HIS 216 H -0.17 0.02 0.18 -0.55 8.41 7.89 1zp0B1 HIS 216 HA -0.02 0.31 0.78 -0.75 4.63 4.95 1zp0B1 HIS 216 HB2 -0.04 -0.10 0.09 -0.04 3.26 3.17 1zp0B1 HIS 216 HB3 -0.02 0.05 0.15 -0.04 3.20 3.33 1zp0B1 HIS 216 HD2 -0.02 -0.11 0.03 -0.04 6.97 6.82 1zp0B1 HIS 216 HE1 -0.04 0.06 -0.04 -0.04 7.75 7.69 1zp0B1 THR 217 H -0.02 0.03 -0.28 -0.55 8.28 7.46 1zp0B1 THR 217 HA -0.02 -0.12 0.27 -0.75 4.39 3.78 1zp0B1 THR 217 HB 0.01 0.23 0.07 -0.04 4.32 4.59 1zp0B1 THR 217 HG23 -0.01 -0.01 0.01 -0.04 1.22 1.18 1zp0B1 ILE 218 H -0.03 -0.08 -0.06 -0.55 8.25 7.53 1zp0B1 ILE 218 HA -0.02 0.28 0.48 -0.75 4.18 4.16 1zp0B1 ILE 218 HB -0.09 -0.23 0.14 -0.04 1.89 1.67 1zp0B1 ILE 218 HG12 -0.00 0.17 0.01 -0.04 1.49 1.62 1zp0B1 ILE 218 HG13 0.01 -0.12 -0.08 -0.04 1.21 0.97 1zp0B1 ILE 218 HG23 -0.09 0.03 0.01 -0.04 0.93 0.84 1zp0B1 ILE 218 HD13 -0.07 0.00 0.08 -0.04 0.88 0.85 1zp0B1 MET 219 H -0.05 -0.09 -0.06 -0.55 8.47 7.72 1zp0B1 MET 219 HA -0.04 -0.18 0.27 -0.75 4.52 3.80 1zp0B1 MET 219 HB2 -0.03 0.47 -0.04 -0.04 2.15 2.51 1zp0B1 MET 219 HB3 -0.03 -0.02 0.18 -0.04 2.03 2.12 1zp0B1 MET 219 HG2 -0.02 0.05 -0.35 -0.04 2.63 2.27 1zp0B1 MET 219 HG3 -0.02 0.12 -0.10 -0.04 2.56 2.52 1zp0B1 MET 219 HE3 -0.03 -0.01 -0.08 -0.04 2.10 1.94 1zp0B1 ASN 220 H -0.10 0.04 -0.18 -0.55 8.53 7.75 1zp0B1 ASN 220 HA -0.07 0.23 0.44 -0.75 4.76 4.62 1zp0B1 ASN 220 HB2 -0.18 -0.14 0.06 -0.04 2.88 2.57 1zp0B1 ASN 220 HB3 -0.13 0.11 -0.09 -0.04 2.79 2.64 1zp0B1 ASN 220 HD21 -0.12 0.01 0.04 -0.04 7.03 6.92 1zp0B1 ASN 220 HD22 -0.23 0.23 0.10 -0.04 7.74 7.80 1zp0B1 CYS 221 H -0.09 -0.04 -0.14 -0.55 8.50 7.69 1zp0B1 CYS 221 HA -0.07 0.15 0.29 -0.75 4.58 4.19 1zp0B1 CYS 221 HB2 -0.06 -0.06 -0.01 -0.04 2.97 2.79 1zp0B1 CYS 221 HB3 -0.08 0.06 0.02 -0.04 2.97 2.94 1zp0B1 THR 222 H -0.05 -0.03 -0.17 -0.55 8.28 7.49 1zp0B1 THR 222 HA -0.03 0.09 0.46 -0.75 4.39 4.16 1zp0B1 THR 222 HB -0.03 0.14 0.07 -0.04 4.32 4.45 1zp0B1 THR 222 HG23 -0.03 0.10 -0.00 -0.04 1.22 1.25 1zp0B1 GLY 223 H -0.04 0.24 -0.41 -0.55 8.43 7.67 1zp0B1 GLY 223 HA2 -0.02 0.06 0.46 -0.51 4.01 4.00 1zp0B1 GLY 223 HA3 -0.03 0.04 0.37 -0.51 4.01 3.88 1zp0B1 THR 224 H -0.03 0.21 -0.56 -0.55 8.28 7.35 1zp0B1 THR 224 HA -0.02 0.23 0.90 -0.75 4.39 4.74 1zp0B1 THR 224 HB -0.02 0.03 -0.15 -0.04 4.32 4.13 1zp0B1 THR 224 HG23 -0.04 -0.01 -0.19 -0.04 1.22 0.95 1zp0B1 CYS 225 H -0.03 0.23 0.10 -0.55 8.50 8.25 1zp0B1 CYS 225 HA -0.03 -0.05 0.46 -0.75 4.58 4.19 1zp0B1 CYS 225 HB2 -0.03 -0.02 0.12 -0.04 2.97 2.99 1zp0B1 CYS 225 HB3 -0.03 0.28 0.25 -0.04 2.97 3.42 1zp0B1 PRO 226 HA -0.02 0.20 0.51 -0.51 4.44 4.62 1zp0B1 PRO 226 HB2 -0.02 0.00 0.03 -0.04 2.28 2.25 1zp0B1 PRO 226 HB3 -0.01 -0.07 0.17 -0.04 2.02 2.07 1zp0B1 PRO 226 HG2 -0.02 -0.10 0.01 -0.04 2.03 1.88 1zp0B1 PRO 226 HG3 -0.02 0.20 0.15 -0.04 2.03 2.33 1zp0B1 PRO 226 HD2 -0.03 -0.08 0.23 -0.04 3.68 3.75 1zp0B1 PRO 226 HD3 -0.03 0.25 0.27 -0.04 3.65 4.09 1zp0B1 LYS 227 H -0.03 -0.07 -0.34 -0.55 8.42 7.42 1zp0B1 LYS 227 HA -0.03 0.30 0.81 -0.75 4.32 4.65 1zp0B1 LYS 227 HB2 -0.05 -0.14 -0.03 -0.04 1.87 1.61 1zp0B1 LYS 227 HB3 -0.06 0.10 0.08 -0.04 1.79 1.87 1zp0B1 LYS 227 HG2 -0.03 -0.17 -0.17 -0.04 1.46 1.06 1zp0B1 LYS 227 HG3 -0.04 -0.06 -0.01 -0.04 1.46 1.30 1zp0B1 LYS 227 HD2 -0.03 0.09 0.00 -0.04 1.69 1.72 1zp0B1 LYS 227 HD3 -0.02 0.07 0.03 -0.04 1.68 1.71 1zp0B1 LYS 227 HE2 -0.06 0.17 0.03 -0.04 2.99 3.10 1zp0B1 LYS 227 HE3 -0.06 -0.05 0.03 -0.04 2.99 2.86 1zp0B1 GLY 228 H -0.03 0.37 -0.33 -0.55 8.43 7.89 1zp0B1 GLY 228 HA2 -0.02 0.13 0.31 -0.51 4.01 3.91 1zp0B1 GLY 228 HA3 -0.02 0.07 0.35 -0.51 4.01 3.90 1zp0B1 LEU 229 H -0.04 -0.18 -0.24 -0.55 8.37 7.37 1zp0B1 LEU 229 HA -0.04 0.25 0.64 -0.75 4.35 4.45 1zp0B1 LEU 229 HB2 -0.04 -0.17 -0.04 -0.04 1.64 1.35 1zp0B1 LEU 229 HB3 -0.04 0.11 0.08 -0.04 1.64 1.75 1zp0B1 LEU 229 HG -0.05 -0.13 -0.25 -0.04 1.64 1.17 1zp0B1 LEU 229 HD13 -0.07 0.00 -0.23 -0.04 0.93 0.59 1zp0B1 LEU 229 HD23 -0.08 0.08 -0.17 -0.04 0.89 0.68 1zp0B1 ASN 230 H -0.02 0.29 0.06 -0.55 8.53 8.32 1zp0B1 ASN 230 HA -0.03 0.17 0.99 -0.75 4.76 5.14 1zp0B1 ASN 230 HB2 -0.02 0.17 -0.14 -0.04 2.88 2.85 1zp0B1 ASN 230 HB3 -0.02 0.07 0.16 -0.04 2.79 2.97 1zp0B1 ASN 230 HD21 -0.02 -0.00 -0.00 -0.04 7.03 6.96 1zp0B1 ASN 230 HD22 -0.02 0.13 -0.01 -0.04 7.74 7.81 1zp0B1 PRO 231 HA -0.03 0.20 0.44 -0.51 4.44 4.54 1zp0B1 PRO 231 HB2 -0.04 -0.13 0.06 -0.04 2.28 2.13 1zp0B1 PRO 231 HB3 -0.04 0.09 -0.05 -0.04 2.02 1.98 1zp0B1 PRO 231 HG2 -0.04 -0.04 -0.11 -0.04 2.03 1.80 1zp0B1 PRO 231 HG3 -0.03 0.12 -0.08 -0.04 2.03 2.00 1zp0B1 PRO 231 HD2 -0.04 0.01 0.01 -0.04 3.68 3.62 1zp0B1 PRO 231 HD3 -0.03 0.25 -0.40 -0.04 3.65 3.43 1zp0B1 GLY 232 H -0.04 0.07 -0.03 -0.55 8.43 7.88 1zp0B1 GLY 232 HA2 -0.04 0.03 0.36 -0.51 4.01 3.84 1zp0B1 GLY 232 HA3 -0.04 0.06 0.29 -0.51 4.01 3.81 1zp0B1 LYS 233 H -0.04 0.08 -0.31 -0.55 8.42 7.60 1zp0B1 LYS 233 HA -0.05 0.06 0.35 -0.75 4.32 3.92 1zp0B1 LYS 233 HB2 -0.03 -0.01 0.07 -0.04 1.87 1.86 1zp0B1 LYS 233 HB3 -0.03 0.12 0.07 -0.04 1.79 1.91 1zp0B1 LYS 233 HG2 -0.01 0.03 -0.02 -0.04 1.46 1.42 1zp0B1 LYS 233 HG3 -0.04 0.05 -0.26 -0.04 1.46 1.18 1zp0B1 LYS 233 HD2 -0.04 -0.05 0.12 -0.04 1.69 1.67 1zp0B1 LYS 233 HD3 -0.02 -0.01 0.02 -0.04 1.68 1.63 1zp0B1 LYS 233 HE2 -0.00 0.02 -0.02 -0.04 2.99 2.96 1zp0B1 LYS 233 HE3 -0.01 0.02 -0.03 -0.04 2.99 2.94 1zp0B1 ALA 234 H -0.08 0.32 -0.39 -0.55 8.40 7.70 1zp0B1 ALA 234 HA -0.41 0.08 0.54 -0.75 4.34 3.80 1zp0B1 ALA 234 HB3 -0.08 0.03 0.15 -0.04 1.41 1.47 1zp0B1 ILE 235 H -0.11 0.47 0.09 -0.55 8.25 8.15 1zp0B1 ILE 235 HA -0.11 0.05 0.36 -0.75 4.18 3.73 1zp0B1 ILE 235 HB -0.06 0.03 0.18 -0.04 1.89 2.00 1zp0B1 ILE 235 HG12 0.01 -0.10 -0.02 -0.04 1.49 1.33 1zp0B1 ILE 235 HG13 -0.04 0.08 0.01 -0.04 1.21 1.23 1zp0B1 ILE 235 HG23 -0.05 -0.00 -0.16 -0.04 0.93 0.68 1zp0B1 ILE 235 HD13 -0.05 -0.06 -0.19 -0.04 0.88 0.55 1zp0B1 ALA 236 H -0.10 0.52 -0.25 -0.55 8.40 8.02 1zp0B1 ALA 236 HA -0.05 0.02 0.37 -0.75 4.34 3.93 1zp0B1 ALA 236 HB3 -0.05 0.04 0.04 -0.04 1.41 1.39 1zp0B1 GLU 237 H -0.23 0.34 -0.25 -0.55 8.60 7.92 1zp0B1 GLU 237 HA -0.08 0.02 0.44 -0.75 4.29 3.91 1zp0B1 GLU 237 HB2 -0.51 0.10 0.26 -0.04 2.09 1.90 1zp0B1 GLU 237 HB3 -0.67 0.01 -0.01 -0.04 1.99 1.28 1zp0B1 GLU 237 HG2 0.05 0.01 0.03 -0.04 2.34 2.39 1zp0B1 GLU 237 HG3 0.05 -0.03 0.04 -0.04 2.34 2.36 1zp0B1 ILE 238 H -0.28 0.51 -0.15 -0.55 8.25 7.78 1zp0B1 ILE 238 HA 0.01 0.02 0.38 -0.75 4.18 3.84 1zp0B1 ILE 238 HB -0.10 0.14 0.17 -0.04 1.89 2.06 1zp0B1 ILE 238 HG12 0.06 -0.02 0.00 -0.04 1.49 1.48 1zp0B1 ILE 238 HG13 -0.34 0.23 0.08 -0.04 1.21 1.14 1zp0B1 ILE 238 HG23 -0.02 -0.01 -0.10 -0.04 0.93 0.76 1zp0B1 ILE 238 HD13 -0.03 -0.02 -0.08 -0.04 0.88 0.70 1zp0B1 LYS 239 H -0.06 0.55 -0.10 -0.55 8.42 8.25 1zp0B1 LYS 239 HA 0.03 0.00 0.33 -0.75 4.32 3.94 1zp0B1 LYS 239 HB2 0.01 0.13 0.14 -0.04 1.87 2.10 1zp0B1 LYS 239 HB3 0.09 -0.02 -0.02 -0.04 1.79 1.79 1zp0B1 LYS 239 HG2 -0.07 -0.03 -0.02 -0.04 1.46 1.29 1zp0B1 LYS 239 HG3 -0.07 0.20 0.04 -0.04 1.46 1.59 1zp0B1 LYS 239 HD2 0.00 -0.06 -0.08 -0.04 1.69 1.51 1zp0B1 LYS 239 HD3 0.09 0.02 -0.04 -0.04 1.68 1.70 1zp0B1 LYS 239 HE2 -0.02 0.02 -0.07 -0.04 2.99 2.88 1zp0B1 LYS 239 HE3 -0.05 -0.09 -0.11 -0.04 2.99 2.70 1zp0B1 LYS 240 H 0.01 0.48 -0.28 -0.55 8.42 8.08 1zp0B1 LYS 240 HA 0.05 0.01 0.37 -0.75 4.32 3.99 1zp0B1 LYS 240 HB2 0.02 0.13 0.14 -0.04 1.87 2.12 1zp0B1 LYS 240 HB3 0.03 -0.06 0.01 -0.04 1.79 1.73 1zp0B1 LYS 240 HG2 0.02 -0.07 0.01 -0.04 1.46 1.38 1zp0B1 LYS 240 HG3 -0.01 0.30 0.07 -0.04 1.46 1.79 1zp0B1 LYS 240 HD2 0.02 -0.02 -0.02 -0.04 1.69 1.63 1zp0B1 LYS 240 HD3 0.00 -0.05 -0.04 -0.04 1.68 1.55 1zp0B1 LYS 240 HE2 -0.00 -0.02 -0.04 -0.04 2.99 2.89 1zp0B1 LYS 240 HE3 0.02 0.03 -0.01 -0.04 2.99 2.99 1zp0B1 MET 241 H 0.06 0.55 -0.10 -0.55 8.47 8.42 1zp0B1 MET 241 HA 0.11 -0.01 0.38 -0.75 4.52 4.25 1zp0B1 MET 241 HB2 0.08 0.13 0.18 -0.04 2.15 2.50 1zp0B1 MET 241 HB3 0.09 -0.08 -0.00 -0.04 2.03 2.00 1zp0B1 MET 241 HG2 0.10 -0.06 -0.00 -0.04 2.63 2.62 1zp0B1 MET 241 HG3 0.10 0.24 0.06 -0.04 2.56 2.92 1zp0B1 MET 241 HE3 0.06 -0.00 -0.08 -0.04 2.10 2.04 1zp0B1 MET 242 H 0.11 0.77 -0.08 -0.55 8.47 8.73 1zp0B1 MET 242 HA 0.39 -0.04 0.33 -0.75 4.52 4.45 1zp0B1 MET 242 HB2 0.16 0.17 0.15 -0.04 2.15 2.59 1zp0B1 MET 242 HB3 0.26 -0.05 -0.02 -0.04 2.03 2.17 1zp0B1 MET 242 HG2 0.06 0.14 -0.05 -0.04 2.63 2.74 1zp0B1 MET 242 HG3 0.01 -0.10 -0.10 -0.04 2.56 2.32 1zp0B1 MET 242 HE3 0.17 -0.02 -0.17 -0.04 2.10 2.04 1zp0B1 ALA 243 H 0.12 0.39 -0.45 -0.55 8.40 7.91 1zp0B1 ALA 243 HA 0.03 0.14 0.81 -0.75 4.34 4.56 1zp0B1 ALA 243 HB3 0.05 -0.02 0.09 -0.04 1.41 1.49 1zp0B1 THR 244 H 0.12 0.43 -0.21 -0.55 8.28 8.07 1zp0B1 THR 244 HA -0.00 0.15 0.88 -0.75 4.39 4.67 1zp0B1 THR 244 HB 0.04 -0.11 0.13 -0.04 4.32 4.33 1zp0B1 THR 244 HG23 0.03 0.02 -0.20 -0.04 1.22 1.03 1zp0B1 TYR 245 H 0.18 0.28 0.11 -0.55 8.29 8.31 1zp0B1 TYR 245 HA 0.02 0.03 0.63 -0.75 4.56 4.49 1zp0B1 TYR 245 HB2 0.02 -0.08 0.09 -0.04 3.06 3.05 1zp0B1 TYR 245 HB3 0.03 0.07 0.08 -0.04 2.98 3.13 1zp0B1 TYR 245 HD2 0.03 0.16 -0.10 -0.04 7.15 7.19 1zp0B1 TYR 245 HE2 0.04 0.05 -0.08 -0.04 6.85 6.82 1zp0B1 LYS 246 H 0.14 0.09 0.17 -0.55 8.42 8.26 1zp0B1 LYS 246 HA -0.10 0.21 0.90 -0.75 4.32 4.57 1zp0B1 LYS 246 HB2 0.03 -0.01 0.11 -0.04 1.87 1.96 1zp0B1 LYS 246 HB3 0.01 -0.01 -0.07 -0.04 1.79 1.68 1zp0B1 LYS 246 HG2 -0.02 0.11 -0.12 -0.04 1.46 1.39 1zp0B1 LYS 246 HG3 -0.00 -0.02 -0.01 -0.04 1.46 1.39 1zp0B1 LYS 246 HD2 -0.02 -0.03 0.02 -0.04 1.69 1.62 1zp0B1 LYS 246 HD3 -0.05 -0.05 0.09 -0.04 1.68 1.63 1zp0B1 LYS 246 HE2 -0.03 0.06 -0.02 -0.04 2.99 2.96 1zp0B1 LYS 246 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.92 1zp0B1 GLU 247 H -0.04 0.14 0.05 -0.55 8.60 8.19 1zp0B1 GLU 247 HA 0.00 0.04 0.19 -0.75 4.29 3.76 1zp0B1 GLU 247 HB2 0.03 -0.06 -0.25 -0.04 2.09 1.77 1zp0B1 GLU 247 HB3 0.08 0.22 0.33 -0.04 1.99 2.58 1zp0B1 GLU 247 HG2 0.04 0.01 0.05 -0.04 2.34 2.40 1zp0B1 GLU 247 HG3 0.02 -0.02 0.03 -0.04 2.34 2.33