============================================================================= 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. PHE 4 1.000 9.363 27.103 38.096 -99.200 -91.000 HIS 25 0.900 17.339 33.314 35.021 -99.200 -91.000 TYR 27 0.840 10.895 29.528 33.194 -99.200 -91.000 TYR 29 0.840 1.386 31.532 29.093 -99.200 -91.000 TYR 40 0.840 1.717 37.196 46.052 -99.200 -91.000 HIS 44 0.900 3.416 39.894 48.771 -99.200 -91.000 TYR 52 0.840 5.625 40.154 38.927 -99.200 -91.000 PHE 53 1.000 0.814 36.929 37.151 -99.200 -91.000 HIS 56 0.900 6.804 42.797 36.649 -99.200 -91.000 HIS 57 0.900 6.927 37.903 28.000 -99.200 -91.000 PHE 68 1.000 -7.271 13.483 45.676 -99.200 -91.000 PHE 69 1.000 -12.309 15.397 37.811 -99.200 -91.000 HIS 77 0.900 -21.335 17.871 43.430 -99.200 -91.000 PHE 84 1.000 -14.225 25.006 38.011 -99.200 -91.000 TYR 96 0.840 -5.585 26.379 29.259 -99.200 -91.000 TYR 131 0.840 -16.492 33.132 36.833 -99.200 -91.000 PHE 139 1.000 -2.697 11.081 31.135 -99.200 -91.000 HIS 142 0.900 -0.178 6.407 42.896 -99.200 -91.000 PHE 150 1.000 -3.812 10.816 25.209 -99.200 -91.000 TYR 154 0.840 -8.766 12.041 22.812 -99.200 -91.000 PHE 172 1.000 6.423 10.233 36.863 -99.200 -91.000 HIS 173 0.900 1.170 12.344 36.370 -99.200 -91.000 PHE 174 1.000 1.384 8.769 26.551 -99.200 -91.000 HIS 175 0.900 8.107 5.876 31.355 -99.200 -91.000 PHE 192 1.000 -8.341 22.599 26.716 -99.200 -91.000 TYR 194 0.840 4.809 17.989 26.695 -99.200 -91.000 HIS 195 0.900 1.898 19.718 33.922 -99.200 -91.000 PHE 202 1.000 13.162 3.631 40.329 -99.200 -91.000 PHE 206 1.000 7.604 -2.027 41.428 -99.200 -91.000 TRP 214 1.040 17.142 18.811 36.474 -99.200 -91.000 TRP6 214 1.020 15.509 20.407 37.093 -99.200 -91.000 HIS 225 0.900 5.914 10.922 26.048 -99.200 -91.000 PHE 234 1.000 0.294 21.278 23.121 -99.200 -91.000 PHE 243 1.000 5.055 17.197 42.034 -99.200 -91.000 TYR 247 0.840 16.262 17.456 39.898 -99.200 -91.000 TYR 248 0.840 11.514 19.944 45.946 -99.200 -91.000 TYR 270 0.840 11.255 15.846 18.356 -99.200 -91.000 PHE 271 1.000 6.390 20.948 19.082 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1i60A1 LYS 2 HA 0.07 -0.07 0.24 -0.75 4.32 3.81 1i60A1 LYS 2 HB2 0.26 0.02 0.04 -0.04 1.87 2.14 1i60A1 LYS 2 HB3 0.17 -0.11 0.04 -0.04 1.79 1.84 1i60A1 LYS 2 HG2 0.08 0.09 0.10 -0.04 1.46 1.69 1i60A1 LYS 2 HG3 0.11 -0.00 0.03 -0.04 1.46 1.55 1i60A1 LYS 2 HD2 0.05 0.01 0.04 -0.04 1.69 1.75 1i60A1 LYS 2 HD3 0.06 -0.04 0.08 -0.04 1.68 1.73 1i60A1 LYS 2 HE2 0.05 -0.03 0.09 -0.04 2.99 3.06 1i60A1 LYS 2 HE3 0.04 0.04 0.06 -0.04 2.99 3.08 1i60A1 LEU 3 H 0.10 0.13 0.21 -0.55 8.37 8.26 1i60A1 LEU 3 HA 0.11 0.25 1.04 -0.75 4.35 5.00 1i60A1 LEU 3 HB2 -0.03 0.05 0.06 -0.04 1.64 1.68 1i60A1 LEU 3 HB3 -0.06 -0.01 0.25 -0.04 1.64 1.78 1i60A1 LEU 3 HG -0.27 -0.06 -0.18 -0.04 1.64 1.09 1i60A1 LEU 3 HD13 0.01 0.01 0.07 -0.04 0.93 0.98 1i60A1 LEU 3 HD23 -0.46 0.01 -0.01 -0.04 0.89 0.39 1i60A1 CYS 4 H 0.20 0.73 0.48 -0.55 8.50 9.37 1i60A1 CYS 4 HA 0.40 0.28 1.00 -0.75 4.58 5.51 1i60A1 CYS 4 HB2 0.24 0.08 -0.25 -0.04 2.97 2.99 1i60A1 CYS 4 HB3 0.15 -0.03 -0.16 -0.04 2.97 2.89 1i60A1 PHE 5 H 0.31 0.48 0.25 -0.55 8.34 8.83 1i60A1 PHE 5 HA 0.09 0.14 1.05 -0.75 4.62 5.15 1i60A1 PHE 5 HB2 -0.82 0.09 0.02 -0.04 3.15 2.40 1i60A1 PHE 5 HB3 -0.24 0.02 0.17 -0.04 3.06 2.97 1i60A1 PHE 5 HD2 -0.09 0.00 -0.09 -0.04 7.28 7.06 1i60A1 PHE 5 HE2 -0.02 -0.04 -0.14 -0.04 7.38 7.15 1i60A1 PHE 5 HZ -0.01 -0.06 -0.17 -0.04 7.32 7.04 1i60A1 ASN 6 H -0.64 0.54 0.28 -0.55 8.53 8.16 1i60A1 ASN 6 HA -0.28 0.13 0.88 -0.75 4.76 4.74 1i60A1 ASN 6 HB2 -0.38 0.03 -0.18 -0.04 2.88 2.31 1i60A1 ASN 6 HB3 -0.45 0.06 0.19 -0.04 2.79 2.55 1i60A1 ASN 6 HD21 -0.12 0.01 -0.12 -0.04 7.03 6.76 1i60A1 ASN 6 HD22 -0.43 0.05 -0.16 -0.04 7.74 7.16 1i60A1 GLU 7 H -0.22 0.41 0.20 -0.55 8.60 8.44 1i60A1 GLU 7 HA -0.20 0.09 0.29 -0.75 4.29 3.71 1i60A1 GLU 7 HB2 -0.07 -0.02 0.13 -0.04 2.09 2.08 1i60A1 GLU 7 HB3 -0.03 0.02 0.01 -0.04 1.99 1.96 1i60A1 GLU 7 HG2 0.16 0.01 -0.05 -0.04 2.34 2.41 1i60A1 GLU 7 HG3 0.01 0.24 0.10 -0.04 2.34 2.65 1i60A1 ALA 8 H -0.34 0.07 -0.37 -0.55 8.40 7.22 1i60A1 ALA 8 HA -0.25 0.06 0.42 -0.75 4.34 3.81 1i60A1 ALA 8 HB3 -0.99 -0.01 0.01 -0.04 1.41 0.39 1i60A1 THR 9 H -0.41 0.37 -0.20 -0.55 8.28 7.49 1i60A1 THR 9 HA -0.08 0.03 0.35 -0.75 4.39 3.93 1i60A1 THR 9 HB -0.28 0.09 0.06 -0.04 4.32 4.15 1i60A1 THR 9 HG23 0.37 -0.01 -0.10 -0.04 1.22 1.44 1i60A1 THR 10 H 0.06 0.29 -0.48 -0.55 8.28 7.61 1i60A1 THR 10 HA 0.25 0.21 0.72 -0.75 4.39 4.82 1i60A1 THR 10 HB 0.12 -0.07 -0.04 -0.04 4.32 4.29 1i60A1 THR 10 HG23 0.28 0.01 -0.20 -0.04 1.22 1.27 1i60A1 LEU 11 H -0.01 0.52 -0.35 -0.55 8.37 7.98 1i60A1 LEU 11 HA -0.13 0.03 0.33 -0.75 4.35 3.82 1i60A1 LEU 11 HB2 -0.12 0.05 0.21 -0.04 1.64 1.73 1i60A1 LEU 11 HB3 -0.56 -0.04 0.10 -0.04 1.64 1.10 1i60A1 LEU 11 HG -0.18 0.04 -0.22 -0.04 1.64 1.23 1i60A1 LEU 11 HD13 -0.05 -0.02 0.02 -0.04 0.93 0.84 1i60A1 LEU 11 HD23 0.06 -0.01 -0.02 -0.04 0.89 0.88 1i60A1 GLU 12 H -1.19 0.09 -0.18 -0.55 8.60 6.78 1i60A1 GLU 12 HA -0.21 0.24 0.83 -0.75 4.29 4.40 1i60A1 GLU 12 HB2 -0.61 -0.00 0.03 -0.04 2.09 1.46 1i60A1 GLU 12 HB3 -0.15 0.04 0.13 -0.04 1.99 1.97 1i60A1 GLU 12 HG2 -0.17 0.04 -0.05 -0.04 2.34 2.13 1i60A1 GLU 12 HG3 -0.49 -0.09 -0.14 -0.04 2.34 1.57 1i60A1 ASN 13 H -0.11 0.13 -0.36 -0.55 8.53 7.64 1i60A1 ASN 13 HA -0.00 0.22 0.91 -0.75 4.76 5.14 1i60A1 ASN 13 HB2 0.07 -0.05 0.18 -0.04 2.88 3.04 1i60A1 ASN 13 HB3 0.09 0.28 -0.03 -0.04 2.79 3.09 1i60A1 ASN 13 HD21 0.22 -0.07 -0.16 -0.04 7.03 6.98 1i60A1 ASN 13 HD22 0.15 0.65 -0.20 -0.04 7.74 8.30 1i60A1 SER 14 H -0.03 0.42 -0.00 -0.55 8.46 8.30 1i60A1 SER 14 HA 0.00 0.04 0.44 -0.75 4.49 4.22 1i60A1 SER 14 HB2 0.03 0.07 -0.13 -0.04 3.95 3.88 1i60A1 SER 14 HB3 0.04 0.10 -0.04 -0.04 3.93 3.99 1i60A1 ASN 15 H -0.01 0.15 0.23 -0.55 8.53 8.35 1i60A1 ASN 15 HA -0.00 0.25 0.62 -0.75 4.76 4.87 1i60A1 ASN 15 HB2 0.01 -0.03 0.14 -0.04 2.88 2.97 1i60A1 ASN 15 HB3 0.00 0.21 -0.03 -0.04 2.79 2.93 1i60A1 ASN 15 HD21 -0.00 0.04 -0.05 -0.04 7.03 6.98 1i60A1 ASN 15 HD22 -0.00 0.14 -0.14 -0.04 7.74 7.69 1i60A1 LEU 16 H 0.00 0.28 0.15 -0.55 8.37 8.25 1i60A1 LEU 16 HA -0.05 0.06 0.38 -0.75 4.35 3.99 1i60A1 LEU 16 HB2 -0.06 -0.01 0.04 -0.04 1.64 1.57 1i60A1 LEU 16 HB3 -0.03 0.03 0.10 -0.04 1.64 1.70 1i60A1 LEU 16 HG -0.41 0.04 -0.27 -0.04 1.64 0.96 1i60A1 LEU 16 HD13 -0.09 -0.01 -0.05 -0.04 0.93 0.74 1i60A1 LEU 16 HD23 -0.46 0.02 -0.11 -0.04 0.89 0.30 1i60A1 LYS 17 H 0.01 0.13 -0.10 -0.55 8.42 7.91 1i60A1 LYS 17 HA -0.18 0.14 0.37 -0.75 4.32 3.90 1i60A1 LYS 17 HB2 -0.06 0.06 0.08 -0.04 1.87 1.92 1i60A1 LYS 17 HB3 -0.03 -0.06 0.05 -0.04 1.79 1.70 1i60A1 LYS 17 HG2 -0.03 0.06 -0.03 -0.04 1.46 1.41 1i60A1 LYS 17 HG3 -0.06 -0.01 -0.22 -0.04 1.46 1.13 1i60A1 LYS 17 HD2 -0.20 -0.03 0.07 -0.04 1.69 1.48 1i60A1 LYS 17 HD3 -0.16 0.02 0.00 -0.04 1.68 1.51 1i60A1 LYS 17 HE2 -0.01 -0.02 -0.03 -0.04 2.99 2.89 1i60A1 LYS 17 HE3 -0.02 0.05 -0.02 -0.04 2.99 2.96 1i60A1 LEU 18 H -0.05 0.05 -0.25 -0.55 8.37 7.58 1i60A1 LEU 18 HA -0.06 0.12 0.47 -0.75 4.35 4.13 1i60A1 LEU 18 HB2 -0.02 0.04 0.08 -0.04 1.64 1.70 1i60A1 LEU 18 HB3 -0.03 -0.10 0.15 -0.04 1.64 1.62 1i60A1 LEU 18 HG -0.04 -0.02 -0.13 -0.04 1.64 1.41 1i60A1 LEU 18 HD13 -0.02 0.00 0.06 -0.04 0.93 0.93 1i60A1 LEU 18 HD23 -0.01 -0.00 0.06 -0.04 0.89 0.91 1i60A1 ASP 19 H -0.07 0.60 -0.04 -0.55 8.40 8.34 1i60A1 ASP 19 HA -0.17 -0.01 0.35 -0.75 4.63 4.05 1i60A1 ASP 19 HB2 -0.04 0.08 0.11 -0.04 2.71 2.82 1i60A1 ASP 19 HB3 -0.01 -0.01 -0.10 -0.04 2.70 2.53 1i60A1 LEU 20 H -0.18 0.56 -0.26 -0.55 8.37 7.95 1i60A1 LEU 20 HA -0.10 0.04 0.37 -0.75 4.35 3.90 1i60A1 LEU 20 HB2 -0.50 0.11 0.13 -0.04 1.64 1.35 1i60A1 LEU 20 HB3 -0.76 0.04 -0.08 -0.04 1.64 0.80 1i60A1 LEU 20 HG -0.27 0.03 -0.02 -0.04 1.64 1.34 1i60A1 LEU 20 HD13 -0.84 -0.02 -0.11 -0.04 0.93 -0.07 1i60A1 LEU 20 HD23 -0.06 0.00 -0.14 -0.04 0.89 0.65 1i60A1 GLU 21 H -0.15 0.41 -0.08 -0.55 8.60 8.23 1i60A1 GLU 21 HA 0.02 0.07 0.38 -0.75 4.29 4.00 1i60A1 GLU 21 HB2 -0.05 0.04 0.14 -0.04 2.09 2.19 1i60A1 GLU 21 HB3 -0.05 0.02 0.20 -0.04 1.99 2.12 1i60A1 GLU 21 HG2 -0.02 -0.01 -0.25 -0.04 2.34 2.02 1i60A1 GLU 21 HG3 0.01 0.02 0.02 -0.04 2.34 2.36 1i60A1 LEU 22 H -0.08 0.58 -0.12 -0.55 8.37 8.21 1i60A1 LEU 22 HA -0.05 0.06 0.51 -0.75 4.35 4.11 1i60A1 LEU 22 HB2 -0.12 0.06 0.04 -0.04 1.64 1.59 1i60A1 LEU 22 HB3 0.03 -0.04 -0.03 -0.04 1.64 1.56 1i60A1 LEU 22 HG -0.04 0.11 0.05 -0.04 1.64 1.72 1i60A1 LEU 22 HD13 -0.02 -0.04 -0.14 -0.04 0.93 0.68 1i60A1 LEU 22 HD23 0.02 -0.00 -0.03 -0.04 0.89 0.84 1i60A1 CYS 23 H -0.15 0.65 -0.10 -0.55 8.50 8.35 1i60A1 CYS 23 HA -0.11 0.02 0.45 -0.75 4.58 4.18 1i60A1 CYS 23 HB2 -0.14 0.14 0.11 -0.04 2.97 3.03 1i60A1 CYS 23 HB3 -0.17 -0.00 -0.05 -0.04 2.97 2.71 1i60A1 GLU 24 H 0.03 0.54 -0.21 -0.55 8.60 8.41 1i60A1 GLU 24 HA 0.16 0.09 0.47 -0.75 4.29 4.25 1i60A1 GLU 24 HB2 0.17 0.00 0.09 -0.04 2.09 2.32 1i60A1 GLU 24 HB3 0.10 0.12 0.16 -0.04 1.99 2.33 1i60A1 GLU 24 HG2 0.21 0.00 0.00 -0.04 2.34 2.52 1i60A1 GLU 24 HG3 0.11 0.02 -0.22 -0.04 2.34 2.20 1i60A1 LYS 25 H -0.03 0.41 -0.13 -0.55 8.42 8.12 1i60A1 LYS 25 HA -0.08 0.03 0.44 -0.75 4.32 3.95 1i60A1 LYS 25 HB2 -0.13 0.03 0.15 -0.04 1.87 1.89 1i60A1 LYS 25 HB3 -0.32 0.04 0.19 -0.04 1.79 1.66 1i60A1 LYS 25 HG2 -0.60 0.02 -0.19 -0.04 1.46 0.65 1i60A1 LYS 25 HG3 -0.19 -0.02 0.06 -0.04 1.46 1.26 1i60A1 LYS 25 HD2 -0.13 -0.03 -0.01 -0.04 1.69 1.48 1i60A1 LYS 25 HD3 -0.37 -0.03 -0.02 -0.04 1.68 1.23 1i60A1 LYS 25 HE2 -0.12 0.01 -0.04 -0.04 2.99 2.80 1i60A1 LYS 25 HE3 -0.09 0.01 -0.01 -0.04 2.99 2.86 1i60A1 HIS 26 H 0.02 0.37 -0.37 -0.55 8.41 7.89 1i60A1 HIS 26 HA 0.02 0.16 0.76 -0.75 4.63 4.82 1i60A1 HIS 26 HB2 0.16 0.06 0.10 -0.04 3.26 3.54 1i60A1 HIS 26 HB3 0.07 -0.05 0.16 -0.04 3.20 3.33 1i60A1 HIS 26 HD2 -0.02 -0.00 -0.01 -0.04 6.97 6.89 1i60A1 HIS 26 HE1 -0.01 -0.03 -0.04 -0.04 7.75 7.62 1i60A1 GLY 27 H 0.07 0.37 -0.52 -0.55 8.43 7.80 1i60A1 GLY 27 HA2 0.00 0.05 0.29 -0.51 4.01 3.84 1i60A1 GLY 27 HA3 -0.01 -0.01 0.37 -0.51 4.01 3.85 1i60A1 TYR 28 H 0.36 0.54 -0.05 -0.55 8.29 8.59 1i60A1 TYR 28 HA 0.10 0.02 0.56 -0.75 4.56 4.49 1i60A1 TYR 28 HB2 0.09 0.01 -0.02 -0.04 3.06 3.10 1i60A1 TYR 28 HB3 0.14 0.06 0.01 -0.04 2.98 3.14 1i60A1 TYR 28 HD2 0.12 0.06 -0.18 -0.04 7.15 7.11 1i60A1 TYR 28 HE2 0.11 0.01 -0.13 -0.04 6.85 6.81 1i60A1 ASP 29 H 0.19 0.43 0.41 -0.55 8.40 8.88 1i60A1 ASP 29 HA 0.17 0.17 0.69 -0.75 4.63 4.90 1i60A1 ASP 29 HB2 0.05 -0.02 0.13 -0.04 2.71 2.84 1i60A1 ASP 29 HB3 -0.27 0.04 0.07 -0.04 2.70 2.50 1i60A1 TYR 30 H 0.31 0.38 0.34 -0.55 8.29 8.76 1i60A1 TYR 30 HA 0.07 0.41 1.05 -0.75 4.56 5.34 1i60A1 TYR 30 HB2 0.12 -0.08 -0.10 -0.04 3.06 2.96 1i60A1 TYR 30 HB3 0.08 -0.16 0.01 -0.04 2.98 2.87 1i60A1 TYR 30 HD2 0.03 -0.00 -0.33 -0.04 7.15 6.80 1i60A1 TYR 30 HE2 0.00 0.09 -0.13 -0.04 6.85 6.77 1i60A1 ILE 31 H 0.23 0.46 0.41 -0.55 8.25 8.80 1i60A1 ILE 31 HA 0.19 0.09 0.88 -0.75 4.18 4.58 1i60A1 ILE 31 HB 0.17 0.08 -0.18 -0.04 1.89 1.92 1i60A1 ILE 31 HG12 0.10 -0.04 -0.34 -0.04 1.49 1.17 1i60A1 ILE 31 HG13 0.22 0.07 0.05 -0.04 1.21 1.51 1i60A1 ILE 31 HG23 0.20 0.03 -0.19 -0.04 0.93 0.93 1i60A1 ILE 31 HD13 0.09 -0.01 -0.18 -0.04 0.88 0.73 1i60A1 GLU 32 H 0.03 0.68 0.32 -0.55 8.60 9.09 1i60A1 GLU 32 HA 0.03 0.15 0.92 -0.75 4.29 4.64 1i60A1 GLU 32 HB2 -0.07 -0.11 0.17 -0.04 2.09 2.04 1i60A1 GLU 32 HB3 -0.00 -0.01 -0.11 -0.04 1.99 1.83 1i60A1 GLU 32 HG2 0.04 0.05 -0.14 -0.04 2.34 2.24 1i60A1 GLU 32 HG3 0.02 -0.00 -0.25 -0.04 2.34 2.07 1i60A1 ILE 33 H 0.02 0.57 0.25 -0.55 8.25 8.54 1i60A1 ILE 33 HA 0.00 0.02 0.67 -0.75 4.18 4.11 1i60A1 ILE 33 HB 0.01 0.06 0.10 -0.04 1.89 2.02 1i60A1 ILE 33 HG12 0.04 -0.04 -0.13 -0.04 1.49 1.32 1i60A1 ILE 33 HG13 0.05 0.02 -0.13 -0.04 1.21 1.12 1i60A1 ILE 33 HG23 -0.02 -0.00 -0.21 -0.04 0.93 0.65 1i60A1 ILE 33 HD13 0.13 0.03 -0.09 -0.04 0.88 0.91 1i60A1 ARG 34 H -0.01 0.10 0.21 -0.55 8.46 8.20 1i60A1 ARG 34 HA -0.00 0.10 0.68 -0.75 4.34 4.37 1i60A1 ARG 34 HB2 -0.02 -0.10 0.22 -0.04 1.90 1.97 1i60A1 ARG 34 HB3 -0.00 0.12 0.08 -0.04 1.80 1.95 1i60A1 ARG 34 HG2 -0.01 0.07 -0.01 -0.04 1.67 1.68 1i60A1 ARG 34 HG3 -0.04 -0.05 -0.01 -0.04 1.67 1.52 1i60A1 ARG 34 HD2 -0.08 -0.10 -0.16 -0.04 3.22 2.84 1i60A1 ARG 34 HD3 -0.05 0.02 -0.12 -0.04 3.22 3.03 1i60A1 THR 35 H 0.00 0.34 0.22 -0.55 8.28 8.30 1i60A1 THR 35 HA 0.00 0.09 0.52 -0.75 4.39 4.24 1i60A1 THR 35 HB -0.00 0.03 0.10 -0.04 4.32 4.40 1i60A1 THR 35 HG23 -0.01 -0.00 -0.06 -0.04 1.22 1.11 1i60A1 ASP 37 HA 0.01 0.03 0.36 -0.75 4.63 4.27 1i60A1 ASP 37 HB2 -0.00 0.04 -0.03 -0.04 2.71 2.68 1i60A1 ASP 37 HB3 0.00 0.04 0.08 -0.04 2.70 2.78 1i60A1 LYS 38 H -0.00 0.10 0.07 -0.55 8.42 8.04 1i60A1 LYS 38 HA 0.01 0.02 0.39 -0.75 4.32 3.98 1i60A1 LYS 38 HB2 -0.01 0.07 0.23 -0.04 1.87 2.12 1i60A1 LYS 38 HB3 -0.01 -0.11 0.07 -0.04 1.79 1.69 1i60A1 LYS 38 HG2 -0.02 0.03 0.11 -0.04 1.46 1.54 1i60A1 LYS 38 HG3 -0.02 -0.07 0.04 -0.04 1.46 1.38 1i60A1 LYS 38 HD2 -0.01 -0.16 -0.04 -0.04 1.69 1.44 1i60A1 LYS 38 HD3 -0.01 0.01 0.04 -0.04 1.68 1.68 1i60A1 LYS 38 HE2 -0.04 -0.01 0.02 -0.04 2.99 2.92 1i60A1 LYS 38 HE3 -0.03 -0.02 -0.10 -0.04 2.99 2.80 1i60A1 LEU 39 H 0.01 0.59 -0.01 -0.55 8.37 8.41 1i60A1 LEU 39 HA 0.02 -0.04 0.42 -0.75 4.35 4.00 1i60A1 LEU 39 HB2 -0.01 -0.02 -0.02 -0.04 1.64 1.55 1i60A1 LEU 39 HB3 0.01 0.13 0.04 -0.04 1.64 1.78 1i60A1 LEU 39 HG 0.04 0.02 -0.22 -0.04 1.64 1.44 1i60A1 LEU 39 HD13 -0.00 -0.03 -0.03 -0.04 0.93 0.83 1i60A1 LEU 39 HD23 0.01 0.01 -0.08 -0.04 0.89 0.78 1i60A1 PRO 40 HA 0.05 0.05 0.39 -0.51 4.44 4.41 1i60A1 PRO 40 HB2 0.02 0.05 0.05 -0.04 2.28 2.37 1i60A1 PRO 40 HB3 0.02 0.01 0.07 -0.04 2.02 2.07 1i60A1 PRO 40 HG2 0.01 0.10 0.28 -0.04 2.03 2.38 1i60A1 PRO 40 HG3 0.02 0.03 0.09 -0.04 2.03 2.13 1i60A1 PRO 40 HD2 0.02 0.07 -0.75 -0.04 3.68 2.98 1i60A1 PRO 40 HD3 0.02 0.06 -0.18 -0.04 3.65 3.51 1i60A1 GLU 41 H 0.04 0.59 -0.22 -0.55 8.60 8.46 1i60A1 GLU 41 HA 0.03 0.03 0.39 -0.75 4.29 3.98 1i60A1 GLU 41 HB2 0.02 0.06 0.11 -0.04 2.09 2.24 1i60A1 GLU 41 HB3 0.04 0.05 0.19 -0.04 1.99 2.24 1i60A1 GLU 41 HG2 0.04 -0.06 -0.21 -0.04 2.34 2.06 1i60A1 GLU 41 HG3 0.02 0.00 0.03 -0.04 2.34 2.35 1i60A1 TYR 42 H 0.15 0.55 -0.08 -0.55 8.29 8.37 1i60A1 TYR 42 HA -0.01 -0.06 0.41 -0.75 4.56 4.15 1i60A1 TYR 42 HB2 -0.09 -0.18 0.14 -0.04 3.06 2.90 1i60A1 TYR 42 HB3 -0.04 0.19 0.19 -0.04 2.98 3.28 1i60A1 TYR 42 HD2 -0.17 -0.05 -0.17 -0.04 7.15 6.71 1i60A1 TYR 42 HE2 -0.31 0.03 -0.15 -0.04 6.85 6.37 1i60A1 LEU 43 H 0.16 0.54 -0.25 -0.55 8.37 8.28 1i60A1 LEU 43 HA 0.04 0.13 0.44 -0.75 4.35 4.21 1i60A1 LEU 43 HB2 0.08 0.12 0.12 -0.04 1.64 1.92 1i60A1 LEU 43 HB3 0.06 -0.05 0.17 -0.04 1.64 1.78 1i60A1 LEU 43 HG 0.22 0.12 -0.01 -0.04 1.64 1.93 1i60A1 LEU 43 HD13 0.07 -0.02 -0.06 -0.04 0.93 0.88 1i60A1 LEU 43 HD23 0.20 -0.04 -0.20 -0.04 0.89 0.81 1i60A1 LYS 44 H 0.01 0.43 -0.58 -0.55 8.42 7.74 1i60A1 LYS 44 HA -0.01 0.06 0.56 -0.75 4.32 4.17 1i60A1 LYS 44 HB2 -0.00 0.14 0.15 -0.04 1.87 2.11 1i60A1 LYS 44 HB3 -0.02 -0.09 0.08 -0.04 1.79 1.72 1i60A1 LYS 44 HG2 0.00 -0.07 0.04 -0.04 1.46 1.40 1i60A1 LYS 44 HG3 0.01 0.23 0.08 -0.04 1.46 1.74 1i60A1 LYS 44 HD2 0.01 0.02 0.10 -0.04 1.69 1.77 1i60A1 LYS 44 HD3 -0.00 -0.06 0.03 -0.04 1.68 1.61 1i60A1 LYS 44 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.91 1i60A1 LYS 44 HE3 0.01 0.02 -0.12 -0.04 2.99 2.86 1i60A1 ASP 45 H -0.06 0.31 -0.08 -0.55 8.40 8.02 1i60A1 ASP 45 HA -0.15 0.16 0.69 -0.75 4.63 4.57 1i60A1 ASP 45 HB2 -0.24 -0.04 0.18 -0.04 2.71 2.57 1i60A1 ASP 45 HB3 -0.11 0.03 -0.11 -0.04 2.70 2.46 1i60A1 HIS 46 H -0.11 0.32 -0.03 -0.55 8.41 8.05 1i60A1 HIS 46 HA -0.17 0.10 0.69 -0.75 4.63 4.50 1i60A1 HIS 46 HB2 -1.14 0.12 -0.11 -0.04 3.26 2.08 1i60A1 HIS 46 HB3 -0.44 -0.06 0.03 -0.04 3.20 2.68 1i60A1 HIS 46 HD2 -0.15 -0.03 0.02 -0.04 6.97 6.76 1i60A1 HIS 46 HE1 -0.18 -0.06 -0.03 -0.04 7.75 7.42 1i60A1 SER 47 H 0.07 0.10 0.17 -0.55 8.46 8.25 1i60A1 SER 47 HA 0.06 0.33 0.93 -0.75 4.49 5.06 1i60A1 SER 47 HB2 0.04 0.03 0.15 -0.04 3.95 4.13 1i60A1 SER 47 HB3 0.02 0.13 0.04 -0.04 3.93 4.07 1i60A1 LEU 48 H 0.08 0.26 0.17 -0.55 8.37 8.34 1i60A1 LEU 48 HA 0.14 0.09 0.40 -0.75 4.35 4.23 1i60A1 LEU 48 HB2 0.06 -0.02 0.15 -0.04 1.64 1.79 1i60A1 LEU 48 HB3 0.07 0.10 -0.03 -0.04 1.64 1.73 1i60A1 LEU 48 HG 0.07 -0.00 0.06 -0.04 1.64 1.73 1i60A1 LEU 48 HD13 0.03 0.03 0.02 -0.04 0.93 0.97 1i60A1 LEU 48 HD23 0.06 0.01 0.00 -0.04 0.89 0.92 1i60A1 ASP 49 H 0.07 0.06 -0.19 -0.55 8.40 7.80 1i60A1 ASP 49 HA 0.07 0.19 0.40 -0.75 4.63 4.53 1i60A1 ASP 49 HB2 0.05 -0.07 0.04 -0.04 2.71 2.69 1i60A1 ASP 49 HB3 0.05 0.07 -0.01 -0.04 2.70 2.77 1i60A1 ASP 50 H 0.10 0.05 -0.32 -0.55 8.40 7.69 1i60A1 ASP 50 HA 0.09 0.08 0.40 -0.75 4.63 4.46 1i60A1 ASP 50 HB2 0.19 0.16 0.18 -0.04 2.71 3.20 1i60A1 ASP 50 HB3 0.18 0.04 0.01 -0.04 2.70 2.89 1i60A1 LEU 51 H 0.17 0.37 -0.18 -0.55 8.37 8.19 1i60A1 LEU 51 HA -0.08 0.01 0.40 -0.75 4.35 3.92 1i60A1 LEU 51 HB2 -0.03 -0.05 0.03 -0.04 1.64 1.55 1i60A1 LEU 51 HB3 0.05 0.16 0.12 -0.04 1.64 1.93 1i60A1 LEU 51 HG 0.05 0.10 -0.17 -0.04 1.64 1.58 1i60A1 LEU 51 HD13 -0.73 -0.03 -0.02 -0.04 0.93 0.12 1i60A1 LEU 51 HD23 -0.26 -0.02 -0.08 -0.04 0.89 0.49 1i60A1 ALA 52 H 0.11 0.50 -0.12 -0.55 8.40 8.35 1i60A1 ALA 52 HA 0.26 0.10 0.46 -0.75 4.34 4.42 1i60A1 ALA 52 HB3 0.10 0.03 0.09 -0.04 1.41 1.59 1i60A1 GLU 53 H 0.09 0.44 -0.27 -0.55 8.60 8.31 1i60A1 GLU 53 HA 0.07 0.05 0.45 -0.75 4.29 4.11 1i60A1 GLU 53 HB2 0.06 -0.01 0.11 -0.04 2.09 2.21 1i60A1 GLU 53 HB3 0.09 0.13 0.18 -0.04 1.99 2.34 1i60A1 GLU 53 HG2 0.05 -0.07 -0.01 -0.04 2.34 2.27 1i60A1 GLU 53 HG3 0.06 0.01 -0.19 -0.04 2.34 2.18 1i60A1 TYR 54 H 0.10 0.35 -0.23 -0.55 8.29 7.96 1i60A1 TYR 54 HA 0.07 0.00 0.41 -0.75 4.56 4.29 1i60A1 TYR 54 HB2 -0.16 -0.05 0.08 -0.04 3.06 2.89 1i60A1 TYR 54 HB3 -0.47 0.15 0.15 -0.04 2.98 2.77 1i60A1 TYR 54 HD2 -0.51 0.05 -0.20 -0.04 7.15 6.44 1i60A1 TYR 54 HE2 -0.36 -0.01 -0.12 -0.04 6.85 6.32 1i60A1 PHE 55 H 0.02 0.43 -0.11 -0.55 8.34 8.13 1i60A1 PHE 55 HA 0.08 0.11 0.40 -0.75 4.62 4.46 1i60A1 PHE 55 HB2 0.06 0.09 0.16 -0.04 3.15 3.42 1i60A1 PHE 55 HB3 0.04 0.06 0.10 -0.04 3.06 3.23 1i60A1 PHE 55 HD2 0.08 0.23 -0.08 -0.04 7.28 7.47 1i60A1 PHE 55 HE2 0.01 -0.10 -0.22 -0.04 7.38 7.02 1i60A1 PHE 55 HZ -0.05 -0.16 -0.15 -0.04 7.32 6.92 1i60A1 GLN 56 H 0.14 0.29 -0.31 -0.55 8.47 8.06 1i60A1 GLN 56 HA 0.07 0.07 0.49 -0.75 4.36 4.23 1i60A1 GLN 56 HB2 0.08 0.06 0.13 -0.04 2.15 2.37 1i60A1 GLN 56 HB3 0.05 0.05 0.15 -0.04 2.02 2.23 1i60A1 GLN 56 HG2 0.03 -0.10 0.01 -0.04 2.40 2.29 1i60A1 GLN 56 HG3 0.01 -0.02 -0.08 -0.04 2.39 2.27 1i60A1 GLN 56 HE21 0.01 -0.03 0.06 -0.04 6.97 6.97 1i60A1 GLN 56 HE22 0.01 0.01 0.15 -0.04 7.69 7.82 1i60A1 THR 57 H 0.03 0.32 -0.36 -0.55 8.28 7.72 1i60A1 THR 57 HA -0.09 0.17 0.91 -0.75 4.39 4.63 1i60A1 THR 57 HB -0.25 -0.12 0.20 -0.04 4.32 4.11 1i60A1 THR 57 HG23 -0.04 -0.02 -0.04 -0.04 1.22 1.08 1i60A1 HIS 58 H 0.01 0.50 -0.25 -0.55 8.41 8.13 1i60A1 HIS 58 HA -0.10 0.05 0.73 -0.75 4.63 4.55 1i60A1 HIS 58 HB2 -0.36 0.16 -0.03 -0.04 3.26 2.99 1i60A1 HIS 58 HB3 -0.14 -0.21 0.11 -0.04 3.20 2.92 1i60A1 HIS 58 HD2 -0.14 -0.07 0.02 -0.04 6.97 6.73 1i60A1 HIS 58 HE1 -0.31 -0.09 -0.04 -0.04 7.75 7.27 1i60A1 HIS 59 H 0.18 0.02 0.15 -0.55 8.41 8.21 1i60A1 HIS 59 HA 0.01 0.13 0.51 -0.75 4.63 4.53 1i60A1 HIS 59 HB2 0.00 -0.05 0.12 -0.04 3.26 3.29 1i60A1 HIS 59 HB3 0.04 -0.04 0.17 -0.04 3.20 3.32 1i60A1 HIS 59 HD2 0.02 0.19 -0.13 -0.04 6.97 7.00 1i60A1 HIS 59 HE1 -0.05 -0.04 0.01 -0.04 7.75 7.63 1i60A1 ILE 60 H 0.19 -0.11 -0.01 -0.55 8.25 7.77 1i60A1 ILE 60 HA -0.03 0.25 0.32 -0.75 4.18 3.97 1i60A1 ILE 60 HB 0.22 0.02 -0.05 -0.04 1.89 2.03 1i60A1 ILE 60 HG12 0.26 0.01 -0.33 -0.04 1.49 1.39 1i60A1 ILE 60 HG13 0.17 0.04 -0.59 -0.04 1.21 0.79 1i60A1 ILE 60 HG23 0.36 -0.04 -0.18 -0.04 0.93 1.03 1i60A1 ILE 60 HD13 0.17 -0.04 -0.34 -0.04 0.88 0.64 1i60A1 LYS 61 H -0.05 0.40 0.33 -0.55 8.42 8.54 1i60A1 LYS 61 HA -0.24 0.19 0.79 -0.75 4.32 4.30 1i60A1 LYS 61 HB2 -0.19 -0.07 0.05 -0.04 1.87 1.62 1i60A1 LYS 61 HB3 -0.12 0.09 0.08 -0.04 1.79 1.80 1i60A1 LYS 61 HG2 -0.19 0.23 -0.28 -0.04 1.46 1.19 1i60A1 LYS 61 HG3 -0.15 -0.10 0.01 -0.04 1.46 1.18 1i60A1 LYS 61 HD2 -0.06 -0.06 0.05 -0.04 1.69 1.58 1i60A1 LYS 61 HD3 0.02 0.03 0.15 -0.04 1.68 1.85 1i60A1 LYS 61 HE2 -0.04 -0.17 0.02 -0.04 2.99 2.75 1i60A1 LYS 61 HE3 0.04 -0.05 -0.03 -0.04 2.99 2.91 1i60A1 PRO 62 HA -0.10 0.06 0.76 -0.51 4.44 4.64 1i60A1 PRO 62 HB2 -0.19 -0.08 -0.08 -0.04 2.28 1.90 1i60A1 PRO 62 HB3 -0.55 -0.05 0.01 -0.04 2.02 1.38 1i60A1 PRO 62 HG2 -0.27 0.09 -0.10 -0.04 2.03 1.70 1i60A1 PRO 62 HG3 -0.52 0.16 -0.10 -0.04 2.03 1.52 1i60A1 PRO 62 HD2 -0.48 0.24 0.21 -0.04 3.68 3.60 1i60A1 PRO 62 HD3 -2.26 0.11 0.15 -0.04 3.65 1.61 1i60A1 LEU 63 H 0.05 0.38 0.34 -0.55 8.37 8.59 1i60A1 LEU 63 HA -0.17 0.22 0.63 -0.75 4.35 4.29 1i60A1 LEU 63 HB2 -0.45 0.03 -0.02 -0.04 1.64 1.15 1i60A1 LEU 63 HB3 -0.05 -0.12 -0.04 -0.04 1.64 1.39 1i60A1 LEU 63 HG 0.01 -0.05 -0.37 -0.04 1.64 1.19 1i60A1 LEU 63 HD13 -0.50 0.04 -0.04 -0.04 0.93 0.39 1i60A1 LEU 63 HD23 -0.11 -0.02 -0.22 -0.04 0.89 0.50 1i60A1 ALA 64 H 0.01 0.18 0.21 -0.55 8.40 8.26 1i60A1 ALA 64 HA 0.06 0.29 0.69 -0.75 4.34 4.63 1i60A1 ALA 64 HB3 0.11 -0.00 -0.29 -0.04 1.41 1.19 1i60A1 LEU 65 H 0.04 0.67 0.29 -0.55 8.37 8.83 1i60A1 LEU 65 HA 0.01 0.16 0.78 -0.75 4.35 4.53 1i60A1 LEU 65 HB2 -0.00 0.02 0.16 -0.04 1.64 1.78 1i60A1 LEU 65 HB3 -0.01 0.02 -0.05 -0.04 1.64 1.56 1i60A1 LEU 65 HG -0.03 0.06 -0.11 -0.04 1.64 1.52 1i60A1 LEU 65 HD13 -0.07 0.00 -0.11 -0.04 0.93 0.72 1i60A1 LEU 65 HD23 -0.01 -0.00 -0.12 -0.04 0.89 0.72 1i60A1 ASN 66 H 0.01 0.70 0.23 -0.55 8.53 8.93 1i60A1 ASN 66 HA 0.05 0.04 0.72 -0.75 4.76 4.82 1i60A1 ASN 66 HB2 0.02 -0.02 -0.20 -0.04 2.88 2.65 1i60A1 ASN 66 HB3 0.02 -0.10 0.06 -0.04 2.79 2.72 1i60A1 ASN 66 HD21 0.15 -0.01 -0.13 -0.04 7.03 7.01 1i60A1 ASN 66 HD22 0.10 0.01 -0.15 -0.04 7.74 7.65 1i60A1 ALA 67 H 0.05 0.04 0.17 -0.55 8.40 8.12 1i60A1 ALA 67 HA 0.04 0.31 0.37 -0.75 4.34 4.31 1i60A1 ALA 67 HB3 0.01 -0.01 -0.24 -0.04 1.41 1.13 1i60A1 LEU 68 H 0.05 0.59 0.35 -0.55 8.37 8.80 1i60A1 LEU 68 HA 0.05 0.13 0.58 -0.75 4.35 4.36 1i60A1 LEU 68 HB2 0.16 0.09 0.02 -0.04 1.64 1.86 1i60A1 LEU 68 HB3 0.05 -0.11 0.22 -0.04 1.64 1.76 1i60A1 LEU 68 HG 0.10 -0.06 -0.24 -0.04 1.64 1.40 1i60A1 LEU 68 HD13 0.13 0.04 -0.01 -0.04 0.93 1.05 1i60A1 LEU 68 HD23 -0.04 -0.00 -0.08 -0.04 0.89 0.73 1i60A1 VAL 69 H -0.05 0.24 -0.04 -0.55 8.24 7.84 1i60A1 VAL 69 HA -0.09 0.03 0.84 -0.75 4.13 4.15 1i60A1 VAL 69 HB -0.33 0.04 0.05 -0.04 2.12 1.84 1i60A1 VAL 69 HG13 -1.36 -0.01 -0.17 -0.04 0.97 -0.61 1i60A1 VAL 69 HG23 -0.15 0.04 -0.17 -0.04 0.95 0.63 1i60A1 PHE 70 H 0.12 0.37 0.12 -0.55 8.34 8.41 1i60A1 PHE 70 HA -0.07 -0.09 0.04 -0.75 4.62 3.75 1i60A1 PHE 70 HB2 -0.01 0.21 0.22 -0.04 3.15 3.53 1i60A1 PHE 70 HB3 -0.05 -0.04 0.14 -0.04 3.06 3.07 1i60A1 PHE 70 HD2 -0.02 0.14 -0.13 -0.04 7.28 7.23 1i60A1 PHE 70 HE2 -0.04 0.03 -0.01 -0.04 7.38 7.32 1i60A1 PHE 70 HZ -0.05 -0.00 -0.01 -0.04 7.32 7.21 1i60A1 PHE 71 H 0.24 0.26 0.03 -0.55 8.34 8.32 1i60A1 PHE 71 HA 0.03 0.19 0.36 -0.75 4.62 4.44 1i60A1 PHE 71 HB2 -0.04 0.03 -0.05 -0.04 3.15 3.05 1i60A1 PHE 71 HB3 -0.01 0.05 -0.09 -0.04 3.06 2.97 1i60A1 PHE 71 HD2 -0.00 0.09 -0.25 -0.04 7.28 7.08 1i60A1 PHE 71 HE2 -0.01 0.04 -0.23 -0.04 7.38 7.14 1i60A1 PHE 71 HZ -0.01 0.01 -0.10 -0.04 7.32 7.17 1i60A1 ASN 72 H -0.76 -0.07 -0.13 -0.55 8.53 7.02 1i60A1 ASN 72 HA -0.16 0.26 0.82 -0.75 4.76 4.93 1i60A1 ASN 72 HB2 -0.25 -0.01 -0.00 -0.04 2.88 2.58 1i60A1 ASN 72 HB3 -0.76 0.05 -0.05 -0.04 2.79 1.99 1i60A1 ASN 72 HD21 -0.20 -0.02 -0.05 -0.04 7.03 6.72 1i60A1 ASN 72 HD22 -0.19 0.07 -0.12 -0.04 7.74 7.46 1i60A1 ASN 73 H -0.08 0.12 0.07 -0.55 8.53 8.09 1i60A1 ASN 73 HA -0.05 0.05 0.31 -0.75 4.76 4.31 1i60A1 ASN 73 HB2 -0.11 0.07 -0.15 -0.04 2.88 2.64 1i60A1 ASN 73 HB3 -0.07 0.01 0.11 -0.04 2.79 2.80 1i60A1 ASN 73 HD21 -0.05 0.18 -0.28 -0.04 7.03 6.84 1i60A1 ASN 73 HD22 -0.05 0.01 -0.06 -0.04 7.74 7.59 1i60A1 ARG 74 H -0.00 0.11 -0.19 -0.55 8.46 7.82 1i60A1 ARG 74 HA -0.01 0.15 0.75 -0.75 4.34 4.48 1i60A1 ARG 74 HB2 0.08 0.01 -0.18 -0.04 1.90 1.77 1i60A1 ARG 74 HB3 0.05 -0.19 -0.04 -0.04 1.80 1.58 1i60A1 ARG 74 HG2 -0.00 -0.03 -0.64 -0.04 1.67 0.95 1i60A1 ARG 74 HG3 0.06 0.14 -0.21 -0.04 1.67 1.61 1i60A1 ARG 74 HD2 -0.03 0.03 -0.21 -0.04 3.22 2.97 1i60A1 ARG 74 HD3 0.03 0.12 -0.08 -0.04 3.22 3.25 1i60A1 ASP 75 H 0.01 0.08 0.13 -0.55 8.40 8.07 1i60A1 ASP 75 HA -0.00 0.23 0.59 -0.75 4.63 4.70 1i60A1 ASP 75 HB2 0.00 -0.06 0.21 -0.04 2.71 2.82 1i60A1 ASP 75 HB3 -0.00 0.12 0.11 -0.04 2.70 2.88 1i60A1 GLU 76 H 0.01 0.19 0.15 -0.55 8.60 8.40 1i60A1 GLU 76 HA 0.03 0.14 0.35 -0.75 4.29 4.05 1i60A1 GLU 76 HB2 -0.00 0.04 0.16 -0.04 2.09 2.25 1i60A1 GLU 76 HB3 0.02 -0.04 0.11 -0.04 1.99 2.04 1i60A1 GLU 76 HG2 0.01 0.04 -0.00 -0.04 2.34 2.35 1i60A1 GLU 76 HG3 0.04 0.01 -0.12 -0.04 2.34 2.23 1i60A1 LYS 77 H 0.03 0.05 -0.16 -0.55 8.42 7.79 1i60A1 LYS 77 HA 0.04 0.15 0.45 -0.75 4.32 4.21 1i60A1 LYS 77 HB2 0.02 0.03 0.09 -0.04 1.87 1.97 1i60A1 LYS 77 HB3 0.03 -0.07 0.07 -0.04 1.79 1.77 1i60A1 LYS 77 HG2 0.03 0.01 -0.21 -0.04 1.46 1.25 1i60A1 LYS 77 HG3 0.02 0.04 0.01 -0.04 1.46 1.50 1i60A1 LYS 77 HD2 0.02 0.05 -0.03 -0.04 1.69 1.69 1i60A1 LYS 77 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.64 1i60A1 LYS 77 HE2 0.02 -0.08 -0.04 -0.04 2.99 2.85 1i60A1 LYS 77 HE3 0.02 0.03 -0.09 -0.04 2.99 2.91 1i60A1 GLY 78 H 0.05 0.00 -0.17 -0.55 8.43 7.76 1i60A1 GLY 78 HA2 0.05 0.09 0.42 -0.51 4.01 4.06 1i60A1 GLY 78 HA3 0.05 0.02 0.28 -0.51 4.01 3.85 1i60A1 HIS 79 H 0.15 0.60 -0.29 -0.55 8.41 8.32 1i60A1 HIS 79 HA 0.04 0.08 0.40 -0.75 4.63 4.39 1i60A1 HIS 79 HB2 0.01 0.02 -0.04 -0.04 3.26 3.21 1i60A1 HIS 79 HB3 0.02 0.08 0.05 -0.04 3.20 3.30 1i60A1 HIS 79 HD2 0.03 0.01 0.01 -0.04 6.97 6.97 1i60A1 HIS 79 HE1 0.02 0.02 -0.07 -0.04 7.75 7.68 1i60A1 ASN 80 H 0.11 0.38 -0.28 -0.55 8.53 8.19 1i60A1 ASN 80 HA -0.01 0.02 0.40 -0.75 4.76 4.41 1i60A1 ASN 80 HB2 0.08 0.03 0.15 -0.04 2.88 3.10 1i60A1 ASN 80 HB3 0.05 0.16 0.19 -0.04 2.79 3.15 1i60A1 ASN 80 HD21 0.02 -0.01 -0.07 -0.04 7.03 6.93 1i60A1 ASN 80 HD22 0.03 0.03 -0.15 -0.04 7.74 7.61 1i60A1 GLU 81 H 0.02 0.37 -0.21 -0.55 8.60 8.24 1i60A1 GLU 81 HA 0.01 0.02 0.42 -0.75 4.29 3.99 1i60A1 GLU 81 HB2 0.03 0.15 0.20 -0.04 2.09 2.42 1i60A1 GLU 81 HB3 0.03 -0.01 0.00 -0.04 1.99 1.97 1i60A1 GLU 81 HG2 0.02 -0.02 0.03 -0.04 2.34 2.34 1i60A1 GLU 81 HG3 0.03 0.07 0.04 -0.04 2.34 2.44 1i60A1 ILE 82 H -0.01 0.51 -0.16 -0.55 8.25 8.04 1i60A1 ILE 82 HA 0.03 0.01 0.37 -0.75 4.18 3.83 1i60A1 ILE 82 HB -0.07 0.09 0.20 -0.04 1.89 2.07 1i60A1 ILE 82 HG12 0.05 0.14 0.05 -0.04 1.49 1.70 1i60A1 ILE 82 HG13 0.09 0.02 -0.01 -0.04 1.21 1.26 1i60A1 ILE 82 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 1i60A1 ILE 82 HD13 0.10 0.01 -0.26 -0.04 0.88 0.68 1i60A1 ILE 83 H -0.18 0.63 -0.03 -0.55 8.25 8.12 1i60A1 ILE 83 HA -0.01 0.04 0.42 -0.75 4.18 3.88 1i60A1 ILE 83 HB -0.14 0.03 0.11 -0.04 1.89 1.85 1i60A1 ILE 83 HG12 -0.69 0.16 0.07 -0.04 1.49 0.99 1i60A1 ILE 83 HG13 -0.36 -0.05 -0.02 -0.04 1.21 0.74 1i60A1 ILE 83 HG23 0.02 -0.00 -0.10 -0.04 0.93 0.81 1i60A1 ILE 83 HD13 -0.09 -0.01 -0.06 -0.04 0.88 0.68 1i60A1 THR 84 H -0.01 0.58 -0.17 -0.55 8.28 8.13 1i60A1 THR 84 HA 0.02 0.02 0.39 -0.75 4.39 4.06 1i60A1 THR 84 HB 0.01 0.06 0.16 -0.04 4.32 4.51 1i60A1 THR 84 HG23 0.01 -0.02 -0.06 -0.04 1.22 1.10 1i60A1 GLU 85 H 0.03 0.58 -0.14 -0.55 8.60 8.53 1i60A1 GLU 85 HA 0.01 0.00 0.41 -0.75 4.29 3.96 1i60A1 GLU 85 HB2 0.02 -0.00 0.13 -0.04 2.09 2.20 1i60A1 GLU 85 HB3 0.05 0.07 0.12 -0.04 1.99 2.18 1i60A1 GLU 85 HG2 0.03 0.01 -0.17 -0.04 2.34 2.17 1i60A1 GLU 85 HG3 0.00 -0.03 0.08 -0.04 2.34 2.35 1i60A1 PHE 86 H 0.15 0.49 -0.21 -0.55 8.34 8.22 1i60A1 PHE 86 HA -0.05 -0.02 0.36 -0.75 4.62 4.15 1i60A1 PHE 86 HB2 -0.04 0.01 0.10 -0.04 3.15 3.18 1i60A1 PHE 86 HB3 -0.04 0.07 0.10 -0.04 3.06 3.14 1i60A1 PHE 86 HD2 -0.04 -0.02 -0.10 -0.04 7.28 7.07 1i60A1 PHE 86 HE2 -0.03 0.02 -0.09 -0.04 7.38 7.24 1i60A1 PHE 86 HZ -0.02 0.04 -0.16 -0.04 7.32 7.14 1i60A1 LYS 87 H 0.07 0.52 -0.17 -0.55 8.42 8.29 1i60A1 LYS 87 HA -0.14 0.05 0.43 -0.75 4.32 3.90 1i60A1 LYS 87 HB2 0.01 0.08 0.14 -0.04 1.87 2.06 1i60A1 LYS 87 HB3 0.00 -0.06 0.02 -0.04 1.79 1.71 1i60A1 LYS 87 HG2 0.08 -0.01 0.03 -0.04 1.46 1.53 1i60A1 LYS 87 HG3 0.10 0.13 0.07 -0.04 1.46 1.72 1i60A1 LYS 87 HD2 0.05 -0.04 -0.07 -0.04 1.69 1.58 1i60A1 LYS 87 HD3 0.05 -0.03 -0.01 -0.04 1.68 1.66 1i60A1 LYS 87 HE2 0.09 0.03 -0.01 -0.04 2.99 3.06 1i60A1 LYS 87 HE3 0.07 -0.03 -0.04 -0.04 2.99 2.96 1i60A1 GLY 88 H -0.05 0.36 -0.36 -0.55 8.43 7.84 1i60A1 GLY 88 HA2 -0.06 0.01 0.25 -0.51 4.01 3.70 1i60A1 GLY 88 HA3 -0.05 -0.02 0.21 -0.51 4.01 3.64 1i60A1 GLU 91 HA 0.02 -0.05 0.35 -0.75 4.29 3.86 1i60A1 GLU 91 HB2 -0.05 0.18 -0.60 -0.04 2.09 1.57 1i60A1 GLU 91 HB3 0.00 -0.11 -0.05 -0.04 1.99 1.79 1i60A1 GLU 91 HG2 0.01 0.16 -0.08 -0.04 2.34 2.38 1i60A1 GLU 91 HG3 0.03 -0.06 -0.08 -0.04 2.34 2.19 1i60A1 THR 92 H -0.11 0.55 -0.22 -0.55 8.28 7.95 1i60A1 THR 92 HA -0.01 0.00 0.46 -0.75 4.39 4.09 1i60A1 THR 92 HB -0.07 0.01 0.00 -0.04 4.32 4.21 1i60A1 THR 92 HG23 -0.01 -0.03 -0.09 -0.04 1.22 1.05 1i60A1 CYS 93 H -0.13 0.26 -0.22 -0.55 8.50 7.86 1i60A1 CYS 93 HA -0.05 -0.04 0.34 -0.75 4.58 4.07 1i60A1 CYS 93 HB2 -0.17 0.05 -0.02 -0.04 2.97 2.79 1i60A1 CYS 93 HB3 -0.08 0.26 -0.11 -0.04 2.97 3.00 1i60A1 LYS 94 H -0.03 0.13 -0.38 -0.55 8.42 7.60 1i60A1 LYS 94 HA 0.05 0.15 0.42 -0.75 4.32 4.18 1i60A1 LYS 94 HB2 0.25 0.03 0.10 -0.04 1.87 2.20 1i60A1 LYS 94 HB3 0.10 0.10 0.12 -0.04 1.79 2.06 1i60A1 LYS 94 HG2 0.06 -0.02 -0.19 -0.04 1.46 1.27 1i60A1 LYS 94 HG3 0.07 0.04 0.05 -0.04 1.46 1.58 1i60A1 LYS 94 HD2 0.14 0.04 0.03 -0.04 1.69 1.86 1i60A1 LYS 94 HD3 0.12 -0.03 0.01 -0.04 1.68 1.74 1i60A1 LYS 94 HE2 0.02 -0.04 -0.02 -0.04 2.99 2.91 1i60A1 LYS 94 HE3 -0.00 0.04 0.01 -0.04 2.99 2.99 1i60A1 THR 95 H 0.02 0.46 -0.14 -0.55 8.28 8.07 1i60A1 THR 95 HA 0.04 0.05 0.43 -0.75 4.39 4.16 1i60A1 THR 95 HB 0.04 0.05 0.14 -0.04 4.32 4.50 1i60A1 THR 95 HG23 0.06 -0.05 -0.14 -0.04 1.22 1.05 1i60A1 LEU 96 H 0.02 0.44 -0.16 -0.55 8.37 8.13 1i60A1 LEU 96 HA 0.11 0.13 0.74 -0.75 4.35 4.58 1i60A1 LEU 96 HB2 0.02 0.01 -0.01 -0.04 1.64 1.61 1i60A1 LEU 96 HB3 0.10 -0.03 0.02 -0.04 1.64 1.69 1i60A1 LEU 96 HG 0.06 0.07 -0.00 -0.04 1.64 1.72 1i60A1 LEU 96 HD13 0.09 -0.04 -0.09 -0.04 0.93 0.85 1i60A1 LEU 96 HD23 0.16 -0.01 -0.13 -0.04 0.89 0.86 1i60A1 GLY 97 H 0.00 0.36 -0.23 -0.55 8.43 8.01 1i60A1 GLY 97 HA2 -0.02 0.06 0.28 -0.51 4.01 3.82 1i60A1 GLY 97 HA3 -0.03 0.05 0.50 -0.51 4.01 4.02 1i60A1 VAL 98 H -0.05 0.25 0.06 -0.55 8.24 7.95 1i60A1 VAL 98 HA -0.09 0.25 0.44 -0.75 4.13 3.98 1i60A1 VAL 98 HB -0.06 -0.10 0.00 -0.04 2.12 1.93 1i60A1 VAL 98 HG13 -0.03 -0.04 -0.35 -0.04 0.97 0.51 1i60A1 VAL 98 HG23 -0.06 -0.02 -0.19 -0.04 0.95 0.63 1i60A1 LYS 99 H -0.09 0.27 0.17 -0.55 8.42 8.22 1i60A1 LYS 99 HA -0.21 0.17 0.59 -0.75 4.32 4.12 1i60A1 LYS 99 HB2 -0.18 0.06 0.13 -0.04 1.87 1.84 1i60A1 LYS 99 HB3 -0.24 0.09 0.23 -0.04 1.79 1.83 1i60A1 LYS 99 HG2 -1.56 -0.08 -0.17 -0.04 1.46 -0.38 1i60A1 LYS 99 HG3 -0.47 0.04 0.07 -0.04 1.46 1.05 1i60A1 LYS 99 HD2 -0.16 0.03 0.01 -0.04 1.69 1.53 1i60A1 LYS 99 HD3 -0.15 -0.04 -0.01 -0.04 1.68 1.44 1i60A1 LYS 99 HE2 -0.33 -0.03 -0.04 -0.04 2.99 2.55 1i60A1 LYS 99 HE3 -0.30 0.02 -0.01 -0.04 2.99 2.66 1i60A1 TYR 100 H 0.04 0.35 0.26 -0.55 8.29 8.39 1i60A1 TYR 100 HA 0.02 0.41 1.15 -0.75 4.56 5.39 1i60A1 TYR 100 HB2 0.00 -0.12 -0.09 -0.04 3.06 2.82 1i60A1 TYR 100 HB3 0.07 -0.08 -0.13 -0.04 2.98 2.80 1i60A1 TYR 100 HD2 0.02 0.05 -0.22 -0.04 7.15 6.95 1i60A1 TYR 100 HE2 -0.55 0.02 -0.12 -0.04 6.85 6.15 1i60A1 VAL 101 H 0.23 0.65 0.31 -0.55 8.24 8.89 1i60A1 VAL 101 HA 0.08 0.09 0.89 -0.75 4.13 4.44 1i60A1 VAL 101 HB 0.23 0.05 0.03 -0.04 2.12 2.39 1i60A1 VAL 101 HG13 0.20 -0.02 -0.24 -0.04 0.97 0.88 1i60A1 VAL 101 HG23 -0.08 0.02 -0.18 -0.04 0.95 0.67 1i60A1 VAL 102 H 0.07 0.51 0.21 -0.55 8.24 8.49 1i60A1 VAL 102 HA 0.04 0.29 0.77 -0.75 4.13 4.48 1i60A1 VAL 102 HB 0.06 -0.54 0.25 -0.04 2.12 1.85 1i60A1 VAL 102 HG13 0.04 0.01 -0.15 -0.04 0.97 0.83 1i60A1 VAL 102 HG23 0.06 0.02 -0.14 -0.04 0.95 0.86 1i60A1 ALA 103 H -0.02 0.66 0.33 -0.55 8.40 8.83 1i60A1 ALA 103 HA 0.00 0.16 1.02 -0.75 4.34 4.77 1i60A1 ALA 103 HB3 -0.40 0.00 -0.03 -0.04 1.41 0.94 1i60A1 VAL 104 H 0.16 0.69 0.33 -0.55 8.24 8.86 1i60A1 VAL 104 HA 0.14 0.33 0.96 -0.75 4.13 4.81 1i60A1 VAL 104 HB 0.01 -0.11 0.13 -0.04 2.12 2.11 1i60A1 VAL 104 HG13 0.09 0.06 -0.06 -0.04 0.97 1.02 1i60A1 VAL 104 HG23 0.04 -0.00 -0.17 -0.04 0.95 0.78 1i60A1 PRO 105 HA -0.24 -0.06 0.51 -0.51 4.44 4.14 1i60A1 PRO 105 HB2 0.00 -0.01 -0.00 -0.04 2.28 2.23 1i60A1 PRO 105 HB3 -0.07 -0.00 0.08 -0.04 2.02 1.99 1i60A1 PRO 105 HG2 0.10 0.10 0.17 -0.04 2.03 2.37 1i60A1 PRO 105 HG3 0.22 0.03 -0.00 -0.04 2.03 2.24 1i60A1 PRO 105 HD2 0.08 0.05 0.25 -0.04 3.68 4.02 1i60A1 PRO 105 HD3 0.14 0.47 0.39 -0.04 3.65 4.60 1i60A1 LEU 106 H -0.22 0.04 0.14 -0.55 8.37 7.78 1i60A1 LEU 106 HA -0.20 0.05 0.44 -0.75 4.35 3.89 1i60A1 LEU 106 HB2 -0.17 0.23 0.05 -0.04 1.64 1.71 1i60A1 LEU 106 HB3 -0.18 -0.12 0.05 -0.04 1.64 1.35 1i60A1 LEU 106 HG -0.26 -0.04 -0.50 -0.04 1.64 0.80 1i60A1 LEU 106 HD13 -0.37 -0.01 0.01 -0.04 0.93 0.52 1i60A1 LEU 106 HD23 -0.13 0.03 -0.07 -0.04 0.89 0.67 1i60A1 VAL 107 H -1.18 0.20 0.23 -0.55 8.24 6.94 1i60A1 VAL 107 HA -0.20 0.26 0.93 -0.75 4.13 4.37 1i60A1 VAL 107 HB -0.51 -0.04 0.15 -0.04 2.12 1.67 1i60A1 VAL 107 HG13 -0.22 -0.01 -0.19 -0.04 0.97 0.52 1i60A1 VAL 107 HG23 0.01 0.01 -0.08 -0.04 0.95 0.85 1i60A1 THR 108 H -0.15 0.77 0.31 -0.55 8.28 8.66 1i60A1 THR 108 HA -0.16 0.08 0.64 -0.75 4.39 4.19 1i60A1 THR 108 HB -0.19 0.09 -0.25 -0.04 4.32 3.92 1i60A1 THR 108 HG23 -0.11 0.05 -0.18 -0.04 1.22 0.93 1i60A1 GLU 109 H -0.08 0.10 0.17 -0.55 8.60 8.25 1i60A1 GLU 109 HA -0.04 0.22 0.76 -0.75 4.29 4.47 1i60A1 GLU 109 HB2 -0.04 -0.03 0.04 -0.04 2.09 2.02 1i60A1 GLU 109 HB3 -0.03 0.03 0.10 -0.04 1.99 2.04 1i60A1 GLU 109 HG2 -0.04 0.05 -0.07 -0.04 2.34 2.24 1i60A1 GLU 109 HG3 -0.05 -0.04 0.01 -0.04 2.34 2.22 1i60A1 GLN 110 H -0.07 -0.07 -0.04 -0.55 8.47 7.76 1i60A1 GLN 110 HA -0.04 0.06 0.47 -0.75 4.36 4.09 1i60A1 GLN 110 HB2 -0.05 -0.02 0.06 -0.04 2.15 2.10 1i60A1 GLN 110 HB3 -0.06 -0.02 0.01 -0.04 2.02 1.91 1i60A1 GLN 110 HG2 -0.05 0.07 -0.58 -0.04 2.40 1.81 1i60A1 GLN 110 HG3 -0.04 -0.02 -0.00 -0.04 2.39 2.29 1i60A1 GLN 110 HE21 -0.03 -0.03 -0.03 -0.04 6.97 6.84 1i60A1 GLN 110 HE22 -0.03 0.03 -0.01 -0.04 7.69 7.63 1i60A1 LYS 111 H -0.04 0.11 0.16 -0.55 8.42 8.10 1i60A1 LYS 111 HA -0.04 0.15 0.60 -0.75 4.32 4.27 1i60A1 LYS 111 HB2 -0.03 -0.04 0.16 -0.04 1.87 1.91 1i60A1 LYS 111 HB3 -0.03 -0.02 -0.02 -0.04 1.79 1.68 1i60A1 LYS 111 HG2 -0.03 0.06 -0.00 -0.04 1.46 1.44 1i60A1 LYS 111 HG3 -0.03 0.07 0.05 -0.04 1.46 1.51 1i60A1 LYS 111 HD2 -0.03 -0.04 0.04 -0.04 1.69 1.62 1i60A1 LYS 111 HD3 -0.03 -0.02 0.00 -0.04 1.68 1.59 1i60A1 LYS 111 HE2 -0.03 0.03 0.01 -0.04 2.99 2.96 1i60A1 LYS 111 HE3 -0.03 0.03 0.02 -0.04 2.99 2.98 1i60A1 ILE 112 H -0.04 0.32 0.13 -0.55 8.25 8.11 1i60A1 ILE 112 HA -0.04 0.13 0.84 -0.75 4.18 4.36 1i60A1 ILE 112 HB -0.05 0.02 0.01 -0.04 1.89 1.82 1i60A1 ILE 112 HG12 -0.05 0.03 -0.21 -0.04 1.49 1.22 1i60A1 ILE 112 HG13 -0.05 0.02 -0.68 -0.04 1.21 0.45 1i60A1 ILE 112 HG23 -0.04 0.02 -0.10 -0.04 0.93 0.76 1i60A1 ILE 112 HD13 -0.07 -0.00 -0.11 -0.04 0.88 0.66 1i60A1 VAL 113 H -0.03 0.14 0.11 -0.55 8.24 7.91 1i60A1 VAL 113 HA -0.03 0.14 0.45 -0.75 4.13 3.93 1i60A1 VAL 113 HB -0.02 -0.03 0.12 -0.04 2.12 2.14 1i60A1 VAL 113 HG13 -0.02 0.05 0.06 -0.04 0.97 1.01 1i60A1 VAL 113 HG23 -0.03 -0.07 0.05 -0.04 0.95 0.86 1i60A1 LYS 114 H -0.03 0.21 0.22 -0.55 8.42 8.26 1i60A1 LYS 114 HA -0.04 0.15 0.43 -0.75 4.32 4.12 1i60A1 LYS 114 HB2 -0.03 -0.00 0.15 -0.04 1.87 1.95 1i60A1 LYS 114 HB3 -0.03 0.03 0.07 -0.04 1.79 1.82 1i60A1 LYS 114 HG2 -0.04 0.07 0.11 -0.04 1.46 1.56 1i60A1 LYS 114 HG3 -0.03 0.01 0.14 -0.04 1.46 1.54 1i60A1 LYS 114 HD2 -0.03 0.05 0.04 -0.04 1.69 1.71 1i60A1 LYS 114 HD3 -0.03 -0.00 0.05 -0.04 1.68 1.66 1i60A1 LYS 114 HE2 -0.04 -0.02 0.02 -0.04 2.99 2.92 1i60A1 LYS 114 HE3 -0.04 -0.01 0.03 -0.04 2.99 2.93 1i60A1 GLU 115 H -0.03 0.11 -0.19 -0.55 8.60 7.95 1i60A1 GLU 115 HA -0.03 0.15 0.54 -0.75 4.29 4.20 1i60A1 GLU 115 HB2 -0.02 -0.02 0.05 -0.04 2.09 2.06 1i60A1 GLU 115 HB3 -0.02 0.07 0.02 -0.04 1.99 2.02 1i60A1 GLU 115 HG2 -0.02 -0.06 0.00 -0.04 2.34 2.22 1i60A1 GLU 115 HG3 -0.02 0.06 0.02 -0.04 2.34 2.36 1i60A1 GLU 116 H -0.03 0.26 -0.30 -0.55 8.60 7.98 1i60A1 GLU 116 HA -0.03 0.12 0.52 -0.75 4.29 4.15 1i60A1 GLU 116 HB2 -0.03 -0.04 0.07 -0.04 2.09 2.05 1i60A1 GLU 116 HB3 -0.03 0.13 0.04 -0.04 1.99 2.08 1i60A1 GLU 116 HG2 -0.04 -0.00 -0.10 -0.04 2.34 2.15 1i60A1 GLU 116 HG3 -0.03 0.01 0.05 -0.04 2.34 2.34 1i60A1 ILE 117 H -0.04 0.37 -0.15 -0.55 8.25 7.88 1i60A1 ILE 117 HA -0.06 0.02 0.44 -0.75 4.18 3.83 1i60A1 ILE 117 HB -0.04 0.08 0.12 -0.04 1.89 2.01 1i60A1 ILE 117 HG12 -0.07 -0.06 -0.05 -0.04 1.49 1.28 1i60A1 ILE 117 HG13 -0.05 0.02 -0.14 -0.04 1.21 0.99 1i60A1 ILE 117 HG23 -0.06 0.03 -0.18 -0.04 0.93 0.68 1i60A1 ILE 117 HD13 -0.05 0.02 -0.01 -0.04 0.88 0.81 1i60A1 LYS 118 H -0.03 0.52 -0.15 -0.55 8.42 8.20 1i60A1 LYS 118 HA -0.02 0.04 0.40 -0.75 4.32 3.98 1i60A1 LYS 118 HB2 -0.03 0.04 0.11 -0.04 1.87 1.94 1i60A1 LYS 118 HB3 -0.03 0.01 0.17 -0.04 1.79 1.90 1i60A1 LYS 118 HG2 -0.03 0.02 -0.27 -0.04 1.46 1.14 1i60A1 LYS 118 HG3 -0.03 -0.02 -0.03 -0.04 1.46 1.34 1i60A1 LYS 118 HD2 -0.03 -0.03 -0.05 -0.04 1.69 1.53 1i60A1 LYS 118 HD3 -0.03 -0.02 -0.04 -0.04 1.68 1.56 1i60A1 LYS 118 HE2 -0.03 0.02 -0.07 -0.04 2.99 2.87 1i60A1 LYS 118 HE3 -0.05 0.04 -0.16 -0.04 2.99 2.78 1i60A1 LYS 119 H -0.02 0.50 -0.19 -0.55 8.42 8.15 1i60A1 LYS 119 HA -0.01 0.07 0.37 -0.75 4.32 4.00 1i60A1 LYS 119 HB2 -0.02 0.10 0.17 -0.04 1.87 2.07 1i60A1 LYS 119 HB3 -0.02 -0.01 0.15 -0.04 1.79 1.87 1i60A1 LYS 119 HG2 -0.01 -0.02 -0.13 -0.04 1.46 1.25 1i60A1 LYS 119 HG3 -0.01 0.02 0.04 -0.04 1.46 1.47 1i60A1 LYS 119 HD2 -0.02 -0.03 -0.00 -0.04 1.69 1.60 1i60A1 LYS 119 HD3 -0.02 0.00 -0.02 -0.04 1.68 1.61 1i60A1 LYS 119 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.91 1i60A1 LYS 119 HE3 -0.02 0.02 0.00 -0.04 2.99 2.96 1i60A1 SER 120 H -0.02 0.46 -0.25 -0.55 8.46 8.10 1i60A1 SER 120 HA -0.01 0.07 0.46 -0.75 4.49 4.26 1i60A1 SER 120 HB2 -0.03 0.09 0.17 -0.04 3.95 4.13 1i60A1 SER 120 HB3 -0.05 0.08 0.20 -0.04 3.93 4.12 1i60A1 SER 121 H -0.01 0.62 -0.10 -0.55 8.46 8.42 1i60A1 SER 121 HA 0.17 -0.06 0.36 -0.75 4.49 4.20 1i60A1 SER 121 HB2 0.03 0.12 0.15 -0.04 3.95 4.21 1i60A1 SER 121 HB3 0.18 -0.04 -0.02 -0.04 3.93 4.01 1i60A1 VAL 122 H 0.02 0.66 -0.17 -0.55 8.24 8.20 1i60A1 VAL 122 HA 0.01 0.04 0.40 -0.75 4.13 3.82 1i60A1 VAL 122 HB -0.00 0.05 0.13 -0.04 2.12 2.25 1i60A1 VAL 122 HG13 -0.01 0.00 -0.21 -0.04 0.97 0.71 1i60A1 VAL 122 HG23 -0.02 0.03 0.03 -0.04 0.95 0.95 1i60A1 ASP 123 H 0.02 0.58 -0.11 -0.55 8.40 8.34 1i60A1 ASP 123 HA 0.01 0.05 0.43 -0.75 4.63 4.36 1i60A1 ASP 123 HB2 0.01 0.04 0.23 -0.04 2.71 2.95 1i60A1 ASP 123 HB3 0.01 -0.06 0.03 -0.04 2.70 2.64 1i60A1 VAL 124 H 0.08 0.70 -0.02 -0.55 8.24 8.45 1i60A1 VAL 124 HA 0.09 0.03 0.46 -0.75 4.13 3.95 1i60A1 VAL 124 HB 0.29 -0.00 0.06 -0.04 2.12 2.43 1i60A1 VAL 124 HG13 0.16 0.03 -0.12 -0.04 0.97 1.01 1i60A1 VAL 124 HG23 0.15 0.04 0.08 -0.04 0.95 1.19 1i60A1 LEU 125 H 0.07 0.68 -0.09 -0.55 8.37 8.48 1i60A1 LEU 125 HA -0.19 -0.02 0.38 -0.75 4.35 3.76 1i60A1 LEU 125 HB2 -0.02 0.14 0.12 -0.04 1.64 1.84 1i60A1 LEU 125 HB3 -0.10 -0.01 -0.01 -0.04 1.64 1.48 1i60A1 LEU 125 HG -0.04 -0.01 0.03 -0.04 1.64 1.57 1i60A1 LEU 125 HD13 -0.02 -0.02 -0.13 -0.04 0.93 0.72 1i60A1 LEU 125 HD23 -0.50 -0.02 -0.05 -0.04 0.89 0.27 1i60A1 THR 126 H -0.01 0.50 -0.34 -0.55 8.28 7.88 1i60A1 THR 126 HA -0.02 0.05 0.47 -0.75 4.39 4.13 1i60A1 THR 126 HB 0.00 0.09 0.17 -0.04 4.32 4.54 1i60A1 THR 126 HG23 0.00 -0.02 -0.02 -0.04 1.22 1.14 1i60A1 GLU 127 H 0.00 0.47 -0.10 -0.55 8.60 8.43 1i60A1 GLU 127 HA 0.02 0.02 0.46 -0.75 4.29 4.04 1i60A1 GLU 127 HB2 0.06 -0.02 0.12 -0.04 2.09 2.21 1i60A1 GLU 127 HB3 0.04 0.10 0.21 -0.04 1.99 2.30 1i60A1 GLU 127 HG2 0.02 0.02 -0.23 -0.04 2.34 2.11 1i60A1 GLU 127 HG3 0.06 -0.03 0.03 -0.04 2.34 2.36 1i60A1 LEU 128 H -0.12 0.65 -0.08 -0.55 8.37 8.26 1i60A1 LEU 128 HA -0.30 0.01 0.39 -0.75 4.35 3.70 1i60A1 LEU 128 HB2 -0.36 0.09 0.10 -0.04 1.64 1.43 1i60A1 LEU 128 HB3 -1.04 -0.02 -0.03 -0.04 1.64 0.51 1i60A1 LEU 128 HG -0.27 0.21 -0.04 -0.04 1.64 1.50 1i60A1 LEU 128 HD13 -0.54 -0.03 -0.11 -0.04 0.93 0.20 1i60A1 LEU 128 HD23 -0.76 -0.01 -0.08 -0.04 0.89 0.00 1i60A1 SER 129 H -0.07 0.57 -0.26 -0.55 8.46 8.15 1i60A1 SER 129 HA 0.05 0.03 0.37 -0.75 4.49 4.19 1i60A1 SER 129 HB2 -0.00 0.01 0.08 -0.04 3.95 4.00 1i60A1 SER 129 HB3 0.00 0.14 0.21 -0.04 3.93 4.24 1i60A1 ASP 130 H 0.02 0.56 -0.14 -0.55 8.40 8.30 1i60A1 ASP 130 HA 0.05 -0.02 0.40 -0.75 4.63 4.31 1i60A1 ASP 130 HB2 0.04 0.14 0.19 -0.04 2.71 3.04 1i60A1 ASP 130 HB3 0.05 -0.07 0.02 -0.04 2.70 2.66 1i60A1 ILE 131 H 0.10 0.43 -0.24 -0.55 8.25 7.99 1i60A1 ILE 131 HA 0.15 -0.01 0.44 -0.75 4.18 4.01 1i60A1 ILE 131 HB 0.28 0.11 0.15 -0.04 1.89 2.39 1i60A1 ILE 131 HG12 0.13 -0.06 0.02 -0.04 1.49 1.54 1i60A1 ILE 131 HG13 0.10 0.05 0.05 -0.04 1.21 1.37 1i60A1 ILE 131 HG23 0.24 -0.02 -0.15 -0.04 0.93 0.96 1i60A1 ILE 131 HD13 0.11 -0.03 -0.05 -0.04 0.88 0.87 1i60A1 ALA 132 H 0.23 0.48 -0.16 -0.55 8.40 8.41 1i60A1 ALA 132 HA 0.23 0.02 0.47 -0.75 4.34 4.30 1i60A1 ALA 132 HB3 0.25 0.03 0.06 -0.04 1.41 1.72 1i60A1 GLU 133 H 0.12 0.43 -0.18 -0.55 8.60 8.43 1i60A1 GLU 133 HA 0.06 -0.02 0.35 -0.75 4.29 3.94 1i60A1 GLU 133 HB2 0.05 0.14 0.15 -0.04 2.09 2.38 1i60A1 GLU 133 HB3 0.03 -0.09 0.03 -0.04 1.99 1.92 1i60A1 GLU 133 HG2 0.07 0.45 0.15 -0.04 2.34 2.97 1i60A1 GLU 133 HG3 0.04 -0.08 0.05 -0.04 2.34 2.31 1i60A1 PRO 134 HA -0.06 0.03 0.45 -0.51 4.44 4.35 1i60A1 PRO 134 HB2 -0.26 -0.00 0.04 -0.04 2.28 2.02 1i60A1 PRO 134 HB3 -0.08 -0.06 0.11 -0.04 2.02 1.96 1i60A1 PRO 134 HG2 -0.01 0.13 0.02 -0.04 2.03 2.14 1i60A1 PRO 134 HG3 0.01 -0.04 0.07 -0.04 2.03 2.03 1i60A1 PRO 134 HD2 0.12 0.22 -0.31 -0.04 3.68 3.67 1i60A1 PRO 134 HD3 0.04 0.04 0.11 -0.04 3.65 3.80 1i60A1 TYR 135 H 0.17 0.41 -0.46 -0.55 8.29 7.85 1i60A1 TYR 135 HA -0.02 0.10 0.75 -0.75 4.56 4.63 1i60A1 TYR 135 HB2 -0.03 0.13 0.14 -0.04 3.06 3.26 1i60A1 TYR 135 HB3 -0.05 -0.07 0.05 -0.04 2.98 2.87 1i60A1 TYR 135 HD2 -0.02 0.08 0.07 -0.04 7.15 7.23 1i60A1 TYR 135 HE2 -0.02 -0.04 0.05 -0.04 6.85 6.79 1i60A1 GLY 136 H 0.07 0.41 -0.00 -0.55 8.43 8.36 1i60A1 GLY 136 HA2 0.01 -0.03 0.29 -0.51 4.01 3.78 1i60A1 GLY 136 HA3 0.00 0.02 0.40 -0.51 4.01 3.93 1i60A1 VAL 137 H 0.08 0.12 -0.29 -0.55 8.24 7.61 1i60A1 VAL 137 HA -0.07 0.27 0.68 -0.75 4.13 4.26 1i60A1 VAL 137 HB -0.00 -0.07 -0.02 -0.04 2.12 1.98 1i60A1 VAL 137 HG13 -0.02 -0.01 -0.30 -0.04 0.97 0.59 1i60A1 VAL 137 HG23 -0.04 0.06 -0.17 -0.04 0.95 0.75 1i60A1 LYS 138 H -0.11 0.58 0.34 -0.55 8.42 8.68 1i60A1 LYS 138 HA 0.14 0.23 0.98 -0.75 4.32 4.91 1i60A1 LYS 138 HB2 -0.25 0.01 0.06 -0.04 1.87 1.65 1i60A1 LYS 138 HB3 0.25 -0.03 -0.09 -0.04 1.79 1.87 1i60A1 LYS 138 HG2 -0.01 -0.07 -0.04 -0.04 1.46 1.30 1i60A1 LYS 138 HG3 -0.15 0.10 -0.20 -0.04 1.46 1.17 1i60A1 LYS 138 HD2 -0.48 -0.00 -0.04 -0.04 1.69 1.12 1i60A1 LYS 138 HD3 -0.64 -0.02 -0.06 -0.04 1.68 0.92 1i60A1 LYS 138 HE2 -0.09 0.04 -0.10 -0.04 2.99 2.79 1i60A1 LYS 138 HE3 -0.14 0.02 -0.07 -0.04 2.99 2.76 1i60A1 ILE 139 H 0.28 0.94 0.38 -0.55 8.25 9.30 1i60A1 ILE 139 HA 0.21 0.20 0.96 -0.75 4.18 4.79 1i60A1 ILE 139 HB 0.03 -0.01 0.20 -0.04 1.89 2.07 1i60A1 ILE 139 HG12 0.18 -0.03 -0.13 -0.04 1.49 1.47 1i60A1 ILE 139 HG13 0.22 0.03 -0.26 -0.04 1.21 1.15 1i60A1 ILE 139 HG23 -0.12 -0.03 -0.16 -0.04 0.93 0.58 1i60A1 ILE 139 HD13 -0.06 0.02 -0.21 -0.04 0.88 0.59 1i60A1 ALA 140 H 0.13 0.65 0.24 -0.55 8.40 8.87 1i60A1 ALA 140 HA -0.07 0.20 0.63 -0.75 4.34 4.34 1i60A1 ALA 140 HB3 0.04 -0.01 -0.25 -0.04 1.41 1.15 1i60A1 LEU 141 H -0.12 0.90 0.30 -0.55 8.37 8.90 1i60A1 LEU 141 HA -0.06 0.08 0.69 -0.75 4.35 4.30 1i60A1 LEU 141 HB2 -0.11 0.01 0.07 -0.04 1.64 1.58 1i60A1 LEU 141 HB3 -0.06 0.13 0.23 -0.04 1.64 1.90 1i60A1 LEU 141 HG 0.11 -0.10 -0.33 -0.04 1.64 1.27 1i60A1 LEU 141 HD13 0.21 0.03 -0.11 -0.04 0.93 1.02 1i60A1 LEU 141 HD23 0.05 0.00 -0.04 -0.04 0.89 0.86 1i60A1 GLU 142 H 0.03 0.77 0.39 -0.55 8.60 9.25 1i60A1 GLU 142 HA -0.04 0.18 1.02 -0.75 4.29 4.71 1i60A1 GLU 142 HB2 -0.05 -0.03 -0.00 -0.04 2.09 1.96 1i60A1 GLU 142 HB3 0.00 -0.01 0.14 -0.04 1.99 2.08 1i60A1 GLU 142 HG2 -0.12 0.13 -0.29 -0.04 2.34 2.01 1i60A1 GLU 142 HG3 -0.13 0.00 -0.06 -0.04 2.34 2.11 1i60A1 PHE 143 H 0.19 0.19 0.13 -0.55 8.34 8.30 1i60A1 PHE 143 HA -0.00 0.12 0.58 -0.75 4.62 4.56 1i60A1 PHE 143 HB2 -0.01 0.06 -0.25 -0.04 3.15 2.92 1i60A1 PHE 143 HB3 -0.00 -0.04 -0.03 -0.04 3.06 2.94 1i60A1 PHE 143 HD2 0.05 0.12 -0.36 -0.04 7.28 7.04 1i60A1 PHE 143 HE2 0.24 0.10 -0.21 -0.04 7.38 7.47 1i60A1 PHE 143 HZ 0.51 -0.02 -0.06 -0.04 7.32 7.71 1i60A1 VAL 144 H 0.02 0.41 0.28 -0.55 8.24 8.40 1i60A1 VAL 144 HA -1.14 0.07 0.86 -0.75 4.13 3.16 1i60A1 VAL 144 HB -0.06 0.00 0.15 -0.04 2.12 2.16 1i60A1 VAL 144 HG13 -0.05 -0.02 -0.18 -0.04 0.97 0.67 1i60A1 VAL 144 HG23 -0.19 0.04 -0.09 -0.04 0.95 0.67 1i60A1 GLY 145 H 0.12 0.03 0.08 -0.55 8.43 8.12 1i60A1 GLY 145 HA2 0.15 0.30 0.53 -0.51 4.01 4.48 1i60A1 GLY 145 HA3 0.18 0.08 0.48 -0.51 4.01 4.25 1i60A1 HIS 146 H 0.15 0.62 0.12 -0.55 8.41 8.75 1i60A1 HIS 146 HA 0.06 0.30 0.84 -0.75 4.63 5.08 1i60A1 HIS 146 HB2 0.08 -0.05 -0.21 -0.04 3.26 3.04 1i60A1 HIS 146 HB3 0.02 -0.06 -0.00 -0.04 3.20 3.12 1i60A1 HIS 146 HD2 0.07 -0.07 0.01 -0.04 6.97 6.94 1i60A1 HIS 146 HE1 -0.02 0.05 -0.04 -0.04 7.75 7.69 1i60A1 PRO 147 HA -0.00 0.11 0.47 -0.51 4.44 4.51 1i60A1 PRO 147 HB2 -0.07 0.02 0.07 -0.04 2.28 2.26 1i60A1 PRO 147 HB3 -0.09 0.02 0.15 -0.04 2.02 2.05 1i60A1 PRO 147 HG2 -0.23 -0.03 0.05 -0.04 2.03 1.78 1i60A1 PRO 147 HG3 -0.24 0.25 0.15 -0.04 2.03 2.15 1i60A1 PRO 147 HD2 -1.02 0.08 0.23 -0.04 3.68 2.92 1i60A1 PRO 147 HD3 -0.23 0.16 0.19 -0.04 3.65 3.73 1i60A1 GLN 148 H 0.73 0.00 -0.45 -0.55 8.47 8.21 1i60A1 GLN 148 HA 0.03 0.30 0.89 -0.75 4.36 4.84 1i60A1 GLN 148 HB2 0.07 -0.06 -0.03 -0.04 2.15 2.09 1i60A1 GLN 148 HB3 -0.02 0.02 0.09 -0.04 2.02 2.07 1i60A1 GLN 148 HG2 0.03 0.10 -0.07 -0.04 2.40 2.41 1i60A1 GLN 148 HG3 0.14 -0.05 -0.20 -0.04 2.39 2.24 1i60A1 GLN 148 HE21 0.01 -0.03 -0.05 -0.04 6.97 6.87 1i60A1 GLN 148 HE22 0.00 0.04 -0.04 -0.04 7.69 7.65 1i60A1 CYS 149 H 0.11 0.46 -0.19 -0.55 8.50 8.34 1i60A1 CYS 149 HA -0.06 0.17 0.92 -0.75 4.58 4.86 1i60A1 CYS 149 HB2 0.01 -0.10 0.03 -0.04 2.97 2.87 1i60A1 CYS 149 HB3 0.06 0.19 0.14 -0.04 2.97 3.31 1i60A1 THR 150 H -0.08 0.67 0.21 -0.55 8.28 8.54 1i60A1 THR 150 HA -0.05 0.10 0.29 -0.75 4.39 3.98 1i60A1 THR 150 HB -0.08 -0.08 0.01 -0.04 4.32 4.13 1i60A1 THR 150 HG23 -0.10 0.03 -0.03 -0.04 1.22 1.08 1i60A1 VAL 151 H -0.00 0.14 -0.40 -0.55 8.24 7.43 1i60A1 VAL 151 HA -0.01 0.13 0.82 -0.75 4.13 4.31 1i60A1 VAL 151 HB 0.06 -0.02 0.15 -0.04 2.12 2.27 1i60A1 VAL 151 HG13 0.04 -0.00 -0.12 -0.04 0.97 0.84 1i60A1 VAL 151 HG23 -0.02 0.00 -0.19 -0.04 0.95 0.70 1i60A1 ASN 152 H 0.01 0.16 -0.04 -0.55 8.53 8.11 1i60A1 ASN 152 HA 0.16 0.23 1.00 -0.75 4.76 5.40 1i60A1 ASN 152 HB2 0.07 -0.11 0.19 -0.04 2.88 3.00 1i60A1 ASN 152 HB3 0.06 0.15 0.12 -0.04 2.79 3.08 1i60A1 ASN 152 HD21 -0.01 -0.07 -0.04 -0.04 7.03 6.87 1i60A1 ASN 152 HD22 0.03 0.20 0.05 -0.04 7.74 7.97 1i60A1 THR 153 H -0.07 0.07 -0.02 -0.55 8.28 7.71 1i60A1 THR 153 HA -0.11 0.39 0.83 -0.75 4.39 4.74 1i60A1 THR 153 HB -0.20 -0.12 0.10 -0.04 4.32 4.06 1i60A1 THR 153 HG23 -0.08 0.07 -0.22 -0.04 1.22 0.95 1i60A1 PHE 154 H -0.46 0.23 0.13 -0.55 8.34 7.68 1i60A1 PHE 154 HA -1.40 0.13 0.36 -0.75 4.62 2.96 1i60A1 PHE 154 HB2 -0.36 0.06 0.07 -0.04 3.15 2.88 1i60A1 PHE 154 HB3 -0.39 -0.07 0.11 -0.04 3.06 2.66 1i60A1 PHE 154 HD2 0.06 -0.05 -0.18 -0.04 7.28 7.07 1i60A1 PHE 154 HE2 -0.14 0.14 -0.22 -0.04 7.38 7.13 1i60A1 PHE 154 HZ -0.26 0.10 -0.10 -0.04 7.32 7.02 1i60A1 GLU 155 H -0.12 0.09 -0.05 -0.55 8.60 7.98 1i60A1 GLU 155 HA -0.18 0.17 0.36 -0.75 4.29 3.88 1i60A1 GLU 155 HB2 0.00 -0.02 0.10 -0.04 2.09 2.13 1i60A1 GLU 155 HB3 -0.07 -0.00 0.01 -0.04 1.99 1.89 1i60A1 GLU 155 HG2 -0.01 0.03 -0.04 -0.04 2.34 2.28 1i60A1 GLU 155 HG3 -0.02 -0.00 -0.04 -0.04 2.34 2.24 1i60A1 GLN 156 H -0.19 0.05 -0.36 -0.55 8.47 7.43 1i60A1 GLN 156 HA -0.09 0.11 0.41 -0.75 4.36 4.04 1i60A1 GLN 156 HB2 -0.09 0.01 0.07 -0.04 2.15 2.10 1i60A1 GLN 156 HB3 -0.12 -0.02 0.09 -0.04 2.02 1.92 1i60A1 GLN 156 HG2 -0.06 0.02 -0.22 -0.04 2.40 2.10 1i60A1 GLN 156 HG3 -0.06 0.01 0.04 -0.04 2.39 2.34 1i60A1 GLN 156 HE21 -0.04 0.50 0.25 -0.04 6.97 7.64 1i60A1 GLN 156 HE22 -0.04 -0.09 0.04 -0.04 7.69 7.56 1i60A1 ALA 157 H -0.29 0.41 -0.17 -0.55 8.40 7.80 1i60A1 ALA 157 HA -0.07 0.03 0.41 -0.75 4.34 3.95 1i60A1 ALA 157 HB3 -0.14 0.03 0.04 -0.04 1.41 1.30 1i60A1 TYR 158 H -0.35 0.58 -0.12 -0.55 8.29 7.84 1i60A1 TYR 158 HA -0.30 0.06 0.38 -0.75 4.56 3.94 1i60A1 TYR 158 HB2 -1.07 0.04 0.05 -0.04 3.06 2.04 1i60A1 TYR 158 HB3 -0.39 0.02 0.07 -0.04 2.98 2.63 1i60A1 TYR 158 HD2 -0.17 -0.00 -0.09 -0.04 7.15 6.84 1i60A1 TYR 158 HE2 0.01 0.07 -0.01 -0.04 6.85 6.88 1i60A1 GLU 159 H -0.10 0.44 -0.29 -0.55 8.60 8.09 1i60A1 GLU 159 HA -0.12 0.06 0.40 -0.75 4.29 3.87 1i60A1 GLU 159 HB2 -0.04 0.06 0.13 -0.04 2.09 2.20 1i60A1 GLU 159 HB3 -0.07 0.09 0.12 -0.04 1.99 2.09 1i60A1 GLU 159 HG2 -0.06 -0.01 -0.14 -0.04 2.34 2.10 1i60A1 GLU 159 HG3 -0.04 0.01 0.04 -0.04 2.34 2.30 1i60A1 ILE 160 H -0.11 0.34 -0.26 -0.55 8.25 7.68 1i60A1 ILE 160 HA -0.06 0.02 0.40 -0.75 4.18 3.79 1i60A1 ILE 160 HB -0.05 0.16 0.18 -0.04 1.89 2.13 1i60A1 ILE 160 HG12 -0.02 -0.02 0.05 -0.04 1.49 1.47 1i60A1 ILE 160 HG13 -0.05 0.04 0.06 -0.04 1.21 1.23 1i60A1 ILE 160 HG23 0.01 -0.01 -0.24 -0.04 0.93 0.64 1i60A1 ILE 160 HD13 0.00 -0.04 -0.09 -0.04 0.88 0.72 1i60A1 VAL 161 H -0.17 0.53 -0.07 -0.55 8.24 7.98 1i60A1 VAL 161 HA -0.13 0.01 0.34 -0.75 4.13 3.60 1i60A1 VAL 161 HB -0.31 0.03 0.13 -0.04 2.12 1.92 1i60A1 VAL 161 HG13 -0.23 0.03 -0.13 -0.04 0.97 0.61 1i60A1 VAL 161 HG23 -0.15 -0.00 -0.10 -0.04 0.95 0.66 1i60A1 ASN 162 H -0.36 0.57 -0.21 -0.55 8.53 7.98 1i60A1 ASN 162 HA -0.21 0.06 0.50 -0.75 4.76 4.35 1i60A1 ASN 162 HB2 -0.37 0.12 0.17 -0.04 2.88 2.76 1i60A1 ASN 162 HB3 -0.17 -0.03 -0.04 -0.04 2.79 2.52 1i60A1 ASN 162 HD21 -0.06 -0.03 0.03 -0.04 7.03 6.93 1i60A1 ASN 162 HD22 -0.09 0.01 0.04 -0.04 7.74 7.66 1i60A1 THR 163 H -0.12 0.40 -0.25 -0.55 8.28 7.75 1i60A1 THR 163 HA -0.06 0.05 0.50 -0.75 4.39 4.13 1i60A1 THR 163 HB -0.06 0.06 0.15 -0.04 4.32 4.43 1i60A1 THR 163 HG23 -0.03 -0.03 -0.06 -0.04 1.22 1.05 1i60A1 VAL 164 H -0.08 0.43 -0.14 -0.55 8.24 7.91 1i60A1 VAL 164 HA -0.03 -0.01 0.40 -0.75 4.13 3.74 1i60A1 VAL 164 HB -0.07 0.14 0.13 -0.04 2.12 2.28 1i60A1 VAL 164 HG13 -0.03 -0.04 -0.17 -0.04 0.97 0.69 1i60A1 VAL 164 HG23 -0.04 0.04 0.02 -0.04 0.95 0.93 1i60A1 ASN 165 H -0.07 0.30 -0.36 -0.55 8.53 7.86 1i60A1 ASN 165 HA -0.04 0.01 0.29 -0.75 4.76 4.27 1i60A1 ASN 165 HB2 -0.03 0.19 -0.12 -0.04 2.88 2.88 1i60A1 ASN 165 HB3 -0.02 0.08 -0.17 -0.04 2.79 2.64 1i60A1 ASN 165 HD21 0.00 -0.08 0.04 -0.04 7.03 6.96 1i60A1 ASN 165 HD22 -0.00 0.01 0.05 -0.04 7.74 7.75 1i60A1 ARG 166 H -0.01 0.22 -0.06 -0.55 8.46 8.06 1i60A1 ARG 166 HA 0.03 0.17 0.92 -0.75 4.34 4.71 1i60A1 ARG 166 HB2 0.02 -0.02 -0.02 -0.04 1.90 1.84 1i60A1 ARG 166 HB3 0.04 -0.13 -0.01 -0.04 1.80 1.66 1i60A1 ARG 166 HG2 0.00 0.32 -0.32 -0.04 1.67 1.64 1i60A1 ARG 166 HG3 0.01 -0.05 -0.06 -0.04 1.67 1.53 1i60A1 ARG 166 HD2 0.03 -0.07 0.02 -0.04 3.22 3.16 1i60A1 ARG 166 HD3 0.02 0.09 0.10 -0.04 3.22 3.38 1i60A1 ASP 167 H 0.06 0.18 0.13 -0.55 8.40 8.21 1i60A1 ASP 167 HA 0.13 0.12 0.40 -0.75 4.63 4.53 1i60A1 ASP 167 HB2 0.06 -0.01 0.09 -0.04 2.71 2.80 1i60A1 ASP 167 HB3 0.07 0.06 0.03 -0.04 2.70 2.82 1i60A1 ASN 168 H 0.10 0.01 -0.32 -0.55 8.53 7.78 1i60A1 ASN 168 HA 0.20 0.25 0.76 -0.75 4.76 5.22 1i60A1 ASN 168 HB2 0.11 0.14 0.17 -0.04 2.88 3.27 1i60A1 ASN 168 HB3 0.07 0.00 -0.05 -0.04 2.79 2.78 1i60A1 ASN 168 HD21 0.08 0.12 0.06 -0.04 7.03 7.25 1i60A1 ASN 168 HD22 0.08 0.09 -0.06 -0.04 7.74 7.81 1i60A1 VAL 169 H 0.19 0.48 -0.44 -0.55 8.24 7.91 1i60A1 VAL 169 HA 0.09 0.20 1.04 -0.75 4.13 4.71 1i60A1 VAL 169 HB -0.01 -0.01 0.11 -0.04 2.12 2.17 1i60A1 VAL 169 HG13 -0.11 -0.03 -0.10 -0.04 0.97 0.69 1i60A1 VAL 169 HG23 -0.00 -0.02 -0.16 -0.04 0.95 0.72 1i60A1 GLY 170 H -0.37 0.71 0.33 -0.55 8.43 8.56 1i60A1 GLY 170 HA2 -0.56 0.17 0.87 -0.51 4.01 3.98 1i60A1 GLY 170 HA3 -2.19 0.06 0.35 -0.51 4.01 1.71 1i60A1 LEU 171 H -0.45 0.59 0.41 -0.55 8.37 8.37 1i60A1 LEU 171 HA -0.11 0.22 1.18 -0.75 4.35 4.88 1i60A1 LEU 171 HB2 0.03 0.07 0.09 -0.04 1.64 1.79 1i60A1 LEU 171 HB3 0.13 -0.02 -0.10 -0.04 1.64 1.60 1i60A1 LEU 171 HG -0.08 0.04 -0.18 -0.04 1.64 1.38 1i60A1 LEU 171 HD13 0.05 -0.02 -0.12 -0.04 0.93 0.80 1i60A1 LEU 171 HD23 0.02 -0.00 -0.10 -0.04 0.89 0.77 1i60A1 VAL 172 H 0.00 0.68 0.14 -0.55 8.24 8.52 1i60A1 VAL 172 HA -0.11 0.23 0.84 -0.75 4.13 4.34 1i60A1 VAL 172 HB -0.13 -0.06 -0.01 -0.04 2.12 1.88 1i60A1 VAL 172 HG13 -0.53 -0.03 -0.32 -0.04 0.97 0.04 1i60A1 VAL 172 HG23 -0.11 -0.01 -0.28 -0.04 0.95 0.51 1i60A1 LEU 173 H -0.03 0.70 0.21 -0.55 8.37 8.71 1i60A1 LEU 173 HA 0.24 0.10 0.84 -0.75 4.35 4.76 1i60A1 LEU 173 HB2 0.17 0.04 -0.01 -0.04 1.64 1.80 1i60A1 LEU 173 HB3 0.01 0.08 0.16 -0.04 1.64 1.85 1i60A1 LEU 173 HG 0.16 -0.09 -0.42 -0.04 1.64 1.26 1i60A1 LEU 173 HD13 0.15 -0.01 -0.10 -0.04 0.93 0.93 1i60A1 LEU 173 HD23 -0.34 0.02 -0.08 -0.04 0.89 0.45 1i60A1 ASP 174 H -0.10 0.26 0.07 -0.55 8.40 8.08 1i60A1 ASP 174 HA 0.04 0.26 0.92 -0.75 4.63 5.09 1i60A1 ASP 174 HB2 0.00 0.10 -0.07 -0.04 2.71 2.69 1i60A1 ASP 174 HB3 0.09 -0.01 0.14 -0.04 2.70 2.88 1i60A1 SER 175 H 0.12 0.71 0.24 -0.55 8.46 8.99 1i60A1 SER 175 HA 0.30 0.06 0.32 -0.75 4.49 4.41 1i60A1 SER 175 HB2 0.19 -0.02 0.23 -0.04 3.95 4.30 1i60A1 SER 175 HB3 0.28 -0.01 -0.03 -0.04 3.93 4.13 1i60A1 PHE 176 H 0.23 0.13 -0.26 -0.55 8.34 7.88 1i60A1 PHE 176 HA 0.10 0.08 0.30 -0.75 4.62 4.34 1i60A1 PHE 176 HB2 -0.03 0.03 -0.06 -0.04 3.15 3.06 1i60A1 PHE 176 HB3 -0.18 -0.05 -0.03 -0.04 3.06 2.77 1i60A1 PHE 176 HD2 -0.18 -0.02 -0.24 -0.04 7.28 6.80 1i60A1 PHE 176 HE2 0.08 0.02 -0.24 -0.04 7.38 7.20 1i60A1 PHE 176 HZ 0.10 -0.01 -0.43 -0.04 7.32 6.94 1i60A1 HIS 177 H 0.08 0.07 -0.22 -0.55 8.41 7.80 1i60A1 HIS 177 HA 0.05 0.04 0.44 -0.75 4.63 4.41 1i60A1 HIS 177 HB2 -0.22 0.06 0.13 -0.04 3.26 3.19 1i60A1 HIS 177 HB3 -0.20 0.08 -0.05 -0.04 3.20 2.99 1i60A1 HIS 177 HD2 -0.06 0.03 -0.01 -0.04 6.97 6.89 1i60A1 HIS 177 HE1 0.17 0.02 -0.09 -0.04 7.75 7.80 1i60A1 PHE 178 H 0.38 0.54 -0.21 -0.55 8.34 8.49 1i60A1 PHE 178 HA 0.48 -0.07 0.39 -0.75 4.62 4.67 1i60A1 PHE 178 HB2 0.20 -0.00 -0.00 -0.04 3.15 3.31 1i60A1 PHE 178 HB3 0.12 0.11 0.08 -0.04 3.06 3.32 1i60A1 PHE 178 HD2 0.15 0.04 -0.19 -0.04 7.28 7.24 1i60A1 PHE 178 HE2 -0.45 0.02 -0.19 -0.04 7.38 6.71 1i60A1 PHE 178 HZ -0.25 0.04 -0.56 -0.04 7.32 6.51 1i60A1 HIS 179 H 0.40 0.44 -0.17 -0.55 8.41 8.53 1i60A1 HIS 179 HA 0.18 0.04 0.51 -0.75 4.63 4.61 1i60A1 HIS 179 HB2 0.23 -0.10 0.09 -0.04 3.26 3.44 1i60A1 HIS 179 HB3 0.02 0.04 0.14 -0.04 3.20 3.36 1i60A1 HIS 179 HD2 0.07 -0.12 0.03 -0.04 6.97 6.90 1i60A1 HIS 179 HE1 -0.01 0.10 -0.15 -0.04 7.75 7.64 1i60A1 ALA 180 H -0.07 0.58 -0.08 -0.55 8.40 8.29 1i60A1 ALA 180 HA -0.11 -0.00 0.14 -0.75 4.34 3.61 1i60A1 ALA 180 HB3 -0.42 -0.02 0.13 -0.04 1.41 1.06 1i60A1 GLY 182 HA2 -0.14 0.03 0.27 -0.51 4.01 3.66 1i60A1 GLY 182 HA3 -0.10 -0.11 0.32 -0.51 4.01 3.62 1i60A1 SER 183 H -0.28 0.66 0.30 -0.55 8.46 8.59 1i60A1 SER 183 HA -0.31 -0.09 0.52 -0.75 4.49 3.86 1i60A1 SER 183 HB2 -1.95 0.15 0.17 -0.04 3.95 2.27 1i60A1 SER 183 HB3 -1.21 -0.12 0.09 -0.04 3.93 2.66 1i60A1 ASN 184 H -0.18 0.01 0.21 -0.55 8.53 8.03 1i60A1 ASN 184 HA 0.01 0.21 0.70 -0.75 4.76 4.93 1i60A1 ASN 184 HB2 -0.04 0.12 0.15 -0.04 2.88 3.08 1i60A1 ASN 184 HB3 -0.00 -0.12 0.17 -0.04 2.79 2.79 1i60A1 ASN 184 HD21 0.00 0.05 0.02 -0.04 7.03 7.06 1i60A1 ASN 184 HD22 -0.01 0.04 0.03 -0.04 7.74 7.77 1i60A1 ILE 185 H 0.14 0.28 0.18 -0.55 8.25 8.30 1i60A1 ILE 185 HA 0.17 0.08 0.34 -0.75 4.18 4.02 1i60A1 ILE 185 HB 0.14 0.05 0.11 -0.04 1.89 2.15 1i60A1 ILE 185 HG12 0.01 0.03 -0.04 -0.04 1.49 1.45 1i60A1 ILE 185 HG13 -0.03 0.00 -0.07 -0.04 1.21 1.07 1i60A1 ILE 185 HG23 0.04 0.02 -0.00 -0.04 0.93 0.95 1i60A1 ILE 185 HD13 -0.12 0.04 -0.13 -0.04 0.88 0.63 1i60A1 GLU 186 H 0.04 0.08 -0.21 -0.55 8.60 7.96 1i60A1 GLU 186 HA -0.00 0.13 0.37 -0.75 4.29 4.04 1i60A1 GLU 186 HB2 0.01 -0.05 0.01 -0.04 2.09 2.03 1i60A1 GLU 186 HB3 0.01 0.09 -0.01 -0.04 1.99 2.03 1i60A1 GLU 186 HG2 0.02 -0.08 0.04 -0.04 2.34 2.27 1i60A1 GLU 186 HG3 0.01 0.05 0.01 -0.04 2.34 2.37 1i60A1 SER 187 H 0.03 0.21 -0.37 -0.55 8.46 7.78 1i60A1 SER 187 HA 0.03 0.12 0.39 -0.75 4.49 4.28 1i60A1 SER 187 HB2 0.13 0.10 0.09 -0.04 3.95 4.23 1i60A1 SER 187 HB3 0.19 -0.01 -0.01 -0.04 3.93 4.05 1i60A1 LEU 188 H -0.08 0.23 -0.24 -0.55 8.37 7.74 1i60A1 LEU 188 HA -0.50 0.05 0.42 -0.75 4.35 3.56 1i60A1 LEU 188 HB2 -0.64 -0.11 0.02 -0.04 1.64 0.87 1i60A1 LEU 188 HB3 -0.30 0.12 0.11 -0.04 1.64 1.53 1i60A1 LEU 188 HG -0.31 0.10 -0.30 -0.04 1.64 1.09 1i60A1 LEU 188 HD13 -0.58 -0.01 -0.06 -0.04 0.93 0.24 1i60A1 LEU 188 HD23 -0.65 -0.01 -0.06 -0.04 0.89 0.13 1i60A1 LYS 189 H -0.09 0.41 -0.10 -0.55 8.42 8.09 1i60A1 LYS 189 HA -0.06 0.10 0.37 -0.75 4.32 3.98 1i60A1 LYS 189 HB2 -0.03 0.05 0.07 -0.04 1.87 1.92 1i60A1 LYS 189 HB3 -0.02 0.01 0.05 -0.04 1.79 1.79 1i60A1 LYS 189 HG2 -0.05 0.01 0.02 -0.04 1.46 1.40 1i60A1 LYS 189 HG3 -0.06 0.12 0.01 -0.04 1.46 1.49 1i60A1 LYS 189 HD2 -0.01 -0.06 -0.06 -0.04 1.69 1.52 1i60A1 LYS 189 HD3 -0.01 0.04 -0.02 -0.04 1.68 1.65 1i60A1 LYS 189 HE2 -0.02 0.04 -0.05 -0.04 2.99 2.92 1i60A1 LYS 189 HE3 -0.01 -0.11 -0.13 -0.04 2.99 2.70 1i60A1 GLN 190 H -0.04 0.15 -0.66 -0.55 8.47 7.37 1i60A1 GLN 190 HA -0.00 0.17 0.75 -0.75 4.36 4.52 1i60A1 GLN 190 HB2 -0.01 -0.00 0.04 -0.04 2.15 2.13 1i60A1 GLN 190 HB3 0.01 -0.06 0.12 -0.04 2.02 2.05 1i60A1 GLN 190 HG2 0.00 -0.00 -0.09 -0.04 2.40 2.27 1i60A1 GLN 190 HG3 -0.00 0.36 0.02 -0.04 2.39 2.73 1i60A1 GLN 190 HE21 0.01 -0.06 -0.06 -0.04 6.97 6.82 1i60A1 GLN 190 HE22 0.01 -0.02 -0.06 -0.04 7.69 7.57 1i60A1 ALA 191 H -0.07 0.37 -0.39 -0.55 8.40 7.76 1i60A1 ALA 191 HA -0.20 0.06 0.64 -0.75 4.34 4.09 1i60A1 ALA 191 HB3 -0.21 0.02 0.02 -0.04 1.41 1.20 1i60A1 ASP 192 H 0.27 0.09 0.12 -0.55 8.40 8.34 1i60A1 ASP 192 HA 0.12 0.17 0.64 -0.75 4.63 4.81 1i60A1 ASP 192 HB2 0.18 0.06 0.12 -0.04 2.71 3.03 1i60A1 ASP 192 HB3 0.24 -0.05 0.18 -0.04 2.70 3.03 1i60A1 GLY 193 H 0.11 0.42 0.24 -0.55 8.43 8.65 1i60A1 GLY 193 HA2 0.16 -0.03 0.25 -0.51 4.01 3.87 1i60A1 GLY 193 HA3 0.17 0.34 0.19 -0.51 4.01 4.19 1i60A1 LYS 194 H 0.16 0.06 -0.33 -0.55 8.42 7.76 1i60A1 LYS 194 HA 0.22 0.17 0.44 -0.75 4.32 4.40 1i60A1 LYS 194 HB2 0.14 -0.06 0.00 -0.04 1.87 1.91 1i60A1 LYS 194 HB3 0.17 0.04 0.03 -0.04 1.79 1.99 1i60A1 LYS 194 HG2 0.12 0.00 -0.01 -0.04 1.46 1.52 1i60A1 LYS 194 HG3 0.10 -0.02 0.01 -0.04 1.46 1.51 1i60A1 LYS 194 HD2 0.07 0.00 0.01 -0.04 1.69 1.73 1i60A1 LYS 194 HD3 0.10 -0.00 0.03 -0.04 1.68 1.76 1i60A1 LYS 194 HE2 0.08 -0.01 0.02 -0.04 2.99 3.04 1i60A1 LYS 194 HE3 0.17 0.03 0.10 -0.04 2.99 3.25 1i60A1 LYS 195 H 0.21 0.46 -0.38 -0.55 8.42 8.15 1i60A1 LYS 195 HA 0.13 0.21 0.63 -0.75 4.32 4.54 1i60A1 LYS 195 HB2 0.26 0.06 0.04 -0.04 1.87 2.19 1i60A1 LYS 195 HB3 -0.02 -0.07 0.15 -0.04 1.79 1.81 1i60A1 LYS 195 HG2 0.08 0.09 -0.07 -0.04 1.46 1.51 1i60A1 LYS 195 HG3 0.16 -0.06 -0.01 -0.04 1.46 1.51 1i60A1 LYS 195 HD2 -0.05 -0.07 0.03 -0.04 1.69 1.55 1i60A1 LYS 195 HD3 -0.15 0.05 -0.04 -0.04 1.68 1.50 1i60A1 LYS 195 HE2 0.12 -0.07 0.04 -0.04 2.99 3.03 1i60A1 LYS 195 HE3 -0.09 0.00 0.01 -0.04 2.99 2.87 1i60A1 ILE 196 H 0.25 0.46 -0.44 -0.55 8.25 7.97 1i60A1 ILE 196 HA 0.04 -0.05 0.71 -0.75 4.18 4.13 1i60A1 ILE 196 HB 0.11 0.22 0.15 -0.04 1.89 2.33 1i60A1 ILE 196 HG12 0.14 0.06 -0.12 -0.04 1.49 1.52 1i60A1 ILE 196 HG13 -0.04 -0.01 -0.07 -0.04 1.21 1.05 1i60A1 ILE 196 HG23 -0.52 -0.04 -0.21 -0.04 0.93 0.11 1i60A1 ILE 196 HD13 0.19 -0.03 -0.15 -0.04 0.88 0.85 1i60A1 PHE 197 H 0.08 0.33 0.21 -0.55 8.34 8.41 1i60A1 PHE 197 HA 0.10 0.21 0.62 -0.75 4.62 4.80 1i60A1 PHE 197 HB2 -0.19 -0.03 -0.03 -0.04 3.15 2.86 1i60A1 PHE 197 HB3 -0.73 -0.01 -0.16 -0.04 3.06 2.12 1i60A1 PHE 197 HD2 0.16 -0.03 -0.56 -0.04 7.28 6.80 1i60A1 PHE 197 HE2 0.13 0.12 -0.25 -0.04 7.38 7.35 1i60A1 PHE 197 HZ 0.09 0.22 -0.30 -0.04 7.32 7.29 1i60A1 ILE 198 H -0.00 0.38 0.22 -0.55 8.25 8.30 1i60A1 ILE 198 HA 0.10 0.27 0.82 -0.75 4.18 4.62 1i60A1 ILE 198 HB -0.13 -0.12 -0.07 -0.04 1.89 1.53 1i60A1 ILE 198 HG12 -0.29 0.16 -0.26 -0.04 1.49 1.06 1i60A1 ILE 198 HG13 -0.52 -0.05 -0.63 -0.04 1.21 -0.04 1i60A1 ILE 198 HG23 0.08 -0.02 -0.31 -0.04 0.93 0.64 1i60A1 ILE 198 HD13 -0.15 -0.02 -0.27 -0.04 0.88 0.40 1i60A1 TYR 199 H 0.23 0.40 0.12 -0.55 8.29 8.50 1i60A1 TYR 199 HA -0.14 0.21 1.04 -0.75 4.56 4.92 1i60A1 TYR 199 HB2 -0.49 0.01 -0.03 -0.04 3.06 2.51 1i60A1 TYR 199 HB3 0.10 0.23 0.21 -0.04 2.98 3.48 1i60A1 TYR 199 HD2 -0.01 0.11 0.00 -0.04 7.15 7.21 1i60A1 TYR 199 HE2 0.04 -0.07 -0.09 -0.04 6.85 6.69 1i60A1 HIS 200 H -0.12 0.68 0.31 -0.55 8.41 8.74 1i60A1 HIS 200 HA -0.23 0.33 0.97 -0.75 4.63 4.95 1i60A1 HIS 200 HB2 -0.09 -0.14 0.15 -0.04 3.26 3.14 1i60A1 HIS 200 HB3 -0.11 -0.01 -0.02 -0.04 3.20 3.02 1i60A1 HIS 200 HD2 -0.06 0.09 -0.42 -0.04 6.97 6.53 1i60A1 HIS 200 HE1 0.03 -0.02 -0.15 -0.04 7.75 7.56 1i60A1 ILE 201 H -0.23 0.68 0.37 -0.55 8.25 8.53 1i60A1 ILE 201 HA -0.22 0.07 1.06 -0.75 4.18 4.34 1i60A1 ILE 201 HB -0.22 0.06 -0.01 -0.04 1.89 1.68 1i60A1 ILE 201 HG12 0.07 -0.03 0.00 -0.04 1.49 1.50 1i60A1 ILE 201 HG13 0.11 -0.07 0.19 -0.04 1.21 1.40 1i60A1 ILE 201 HG23 0.01 0.02 -0.10 -0.04 0.93 0.83 1i60A1 ILE 201 HD13 0.19 0.02 -0.00 -0.04 0.88 1.05 1i60A1 ASP 202 H 0.05 0.39 0.32 -0.55 8.40 8.62 1i60A1 ASP 202 HA 0.07 0.12 0.42 -0.75 4.63 4.48 1i60A1 ASP 202 HB2 0.01 0.02 0.20 -0.04 2.71 2.90 1i60A1 ASP 202 HB3 -0.02 0.31 0.24 -0.04 2.70 3.19 1i60A1 ASP 203 H 0.05 0.46 0.27 -0.55 8.40 8.63 1i60A1 ASP 203 HA 0.04 0.09 0.67 -0.75 4.63 4.68 1i60A1 ASP 203 HB2 0.07 -0.04 -0.36 -0.04 2.71 2.34 1i60A1 ASP 203 HB3 0.04 0.10 -0.20 -0.04 2.70 2.61 1i60A1 THR 204 H -0.04 0.03 0.21 -0.55 8.28 7.94 1i60A1 THR 204 HA 0.03 0.17 0.72 -0.75 4.39 4.57 1i60A1 THR 204 HB 0.45 -0.03 -0.29 -0.04 4.32 4.41 1i60A1 THR 204 HG23 -0.15 -0.00 -0.23 -0.04 1.22 0.80 1i60A1 GLU 205 H -0.06 0.52 0.24 -0.55 8.60 8.76 1i60A1 GLU 205 HA -0.21 0.08 0.58 -0.75 4.29 3.97 1i60A1 GLU 205 HB2 -0.51 -0.02 0.14 -0.04 2.09 1.65 1i60A1 GLU 205 HB3 -0.75 0.00 0.06 -0.04 1.99 1.26 1i60A1 GLU 205 HG2 -0.14 0.00 0.04 -0.04 2.34 2.21 1i60A1 GLU 205 HG3 -0.10 0.20 0.10 -0.04 2.34 2.49 1i60A1 ASP 206 H -0.31 0.14 0.11 -0.55 8.40 7.80 1i60A1 ASP 206 HA -0.08 0.16 0.43 -0.75 4.63 4.39 1i60A1 ASP 206 HB2 -0.10 -0.02 0.12 -0.04 2.71 2.67 1i60A1 ASP 206 HB3 -0.11 0.00 0.19 -0.04 2.70 2.74 1i60A1 PHE 207 H -0.22 0.33 -0.13 -0.55 8.34 7.76 1i60A1 PHE 207 HA -0.06 0.12 0.57 -0.75 4.62 4.50 1i60A1 PHE 207 HB2 0.08 -0.03 -0.06 -0.04 3.15 3.09 1i60A1 PHE 207 HB3 -0.02 0.05 0.02 -0.04 3.06 3.07 1i60A1 PHE 207 HD2 0.01 0.03 -0.07 -0.04 7.28 7.20 1i60A1 PHE 207 HE2 0.00 -0.00 -0.03 -0.04 7.38 7.31 1i60A1 PHE 207 HZ -0.00 0.01 -0.03 -0.04 7.32 7.25 1i60A1 PRO 208 HA 0.06 0.07 0.45 -0.51 4.44 4.51 1i60A1 PRO 208 HB2 0.17 0.06 -0.00 -0.04 2.28 2.46 1i60A1 PRO 208 HB3 0.04 0.03 0.13 -0.04 2.02 2.17 1i60A1 PRO 208 HG2 -0.35 0.03 0.08 -0.04 2.03 1.74 1i60A1 PRO 208 HG3 -0.08 0.06 0.08 -0.04 2.03 2.05 1i60A1 PRO 208 HD2 -0.44 0.06 0.16 -0.04 3.68 3.41 1i60A1 PRO 208 HD3 -0.04 0.12 0.23 -0.04 3.65 3.92 1i60A1 ILE 209 H 0.04 0.09 0.18 -0.55 8.25 8.02 1i60A1 ILE 209 HA 0.04 0.12 0.51 -0.75 4.18 4.10 1i60A1 ILE 209 HB -0.03 0.13 0.37 -0.04 1.89 2.32 1i60A1 ILE 209 HG12 0.01 -0.10 0.18 -0.04 1.49 1.54 1i60A1 ILE 209 HG13 0.02 -0.03 0.01 -0.04 1.21 1.17 1i60A1 ILE 209 HG23 -0.12 0.01 -0.06 -0.04 0.93 0.72 1i60A1 ILE 209 HD13 -0.04 0.00 0.10 -0.04 0.88 0.90 1i60A1 GLY 210 H 0.02 0.34 0.22 -0.55 8.43 8.46 1i60A1 GLY 210 HA2 -0.10 -0.01 0.40 -0.51 4.01 3.79 1i60A1 GLY 210 HA3 -0.07 0.16 0.80 -0.51 4.01 4.40 1i60A1 PHE 211 H 0.33 0.51 -0.36 -0.55 8.34 8.27 1i60A1 PHE 211 HA -0.05 0.13 0.72 -0.75 4.62 4.67 1i60A1 PHE 211 HB2 0.05 0.16 0.00 -0.04 3.15 3.33 1i60A1 PHE 211 HB3 -0.09 -0.09 0.01 -0.04 3.06 2.85 1i60A1 PHE 211 HD2 -0.05 0.07 -0.11 -0.04 7.28 7.15 1i60A1 PHE 211 HE2 -0.03 -0.01 -0.02 -0.04 7.38 7.28 1i60A1 PHE 211 HZ -0.02 -0.02 -0.02 -0.04 7.32 7.22 1i60A1 LEU 212 H 0.18 0.11 0.01 -0.55 8.37 8.13 1i60A1 LEU 212 HA 0.31 -0.02 0.48 -0.75 4.35 4.37 1i60A1 LEU 212 HB2 0.07 0.07 0.12 -0.04 1.64 1.85 1i60A1 LEU 212 HB3 0.23 -0.05 -0.05 -0.04 1.64 1.73 1i60A1 LEU 212 HG 0.26 0.11 -0.17 -0.04 1.64 1.79 1i60A1 LEU 212 HD13 0.09 0.03 -0.12 -0.04 0.93 0.89 1i60A1 LEU 212 HD23 0.36 -0.04 0.01 -0.04 0.89 1.18 1i60A1 THR 213 H 0.29 0.16 0.26 -0.55 8.28 8.44 1i60A1 THR 213 HA 0.25 0.22 0.74 -0.75 4.39 4.85 1i60A1 THR 213 HB 0.10 -0.08 0.12 -0.04 4.32 4.42 1i60A1 THR 213 HG23 0.07 0.08 -0.17 -0.04 1.22 1.16 1i60A1 ASP 214 H 0.01 0.21 0.10 -0.55 8.40 8.18 1i60A1 ASP 214 HA -0.64 0.07 0.31 -0.75 4.63 3.61 1i60A1 ASP 214 HB2 -0.42 0.05 0.08 -0.04 2.71 2.38 1i60A1 ASP 214 HB3 -0.46 -0.01 0.02 -0.04 2.70 2.21 1i60A1 GLU 215 H -0.04 0.08 -0.32 -0.55 8.60 7.77 1i60A1 GLU 215 HA -0.07 0.31 0.39 -0.75 4.29 4.17 1i60A1 GLU 215 HB2 -0.04 0.02 0.20 -0.04 2.09 2.23 1i60A1 GLU 215 HB3 -0.01 -0.02 0.12 -0.04 1.99 2.03 1i60A1 GLU 215 HG2 0.03 -0.06 -0.11 -0.04 2.34 2.16 1i60A1 GLU 215 HG3 0.00 0.02 -0.18 -0.04 2.34 2.14 1i60A1 ASP 216 H -0.01 0.50 -0.34 -0.55 8.40 7.99 1i60A1 ASP 216 HA 0.05 0.15 0.66 -0.75 4.63 4.74 1i60A1 ASP 216 HB2 0.32 0.10 0.11 -0.04 2.71 3.20 1i60A1 ASP 216 HB3 0.25 -0.10 0.19 -0.04 2.70 3.01 1i60A1 ARG 217 H -0.24 0.32 -0.27 -0.55 8.46 7.72 1i60A1 ARG 217 HA -0.07 0.19 0.69 -0.75 4.34 4.40 1i60A1 ARG 217 HB2 -0.24 -0.17 0.12 -0.04 1.90 1.58 1i60A1 ARG 217 HB3 -0.18 0.01 0.17 -0.04 1.80 1.76 1i60A1 ARG 217 HG2 -0.93 -0.01 0.06 -0.04 1.67 0.75 1i60A1 ARG 217 HG3 -0.87 0.08 0.14 -0.04 1.67 0.98 1i60A1 ARG 217 HD2 -0.12 -0.13 0.05 -0.04 3.22 2.98 1i60A1 ARG 217 HD3 -0.21 0.10 0.10 -0.04 3.22 3.17 1i60A1 VAL 218 H -0.03 0.35 -0.05 -0.55 8.24 7.96 1i60A1 VAL 218 HA -0.11 0.16 0.66 -0.75 4.13 4.07 1i60A1 VAL 218 HB 0.07 0.01 -0.02 -0.04 2.12 2.14 1i60A1 VAL 218 HG13 -0.09 0.05 -0.24 -0.04 0.97 0.65 1i60A1 VAL 218 HG23 0.02 0.03 -0.50 -0.04 0.95 0.46 1i60A1 TRP 219 H 0.01 0.15 0.04 -0.55 7.97 7.62 1i60A1 TRP 219 HA 0.00 0.07 0.31 -0.75 4.62 4.25 1i60A1 TRP 219 HB2 -0.03 -0.02 0.01 -0.04 3.23 3.16 1i60A1 TRP 219 HB3 -0.06 0.14 -0.02 -0.04 3.23 3.25 1i60A1 TRP 219 HD1 -0.14 0.02 0.00 -0.04 7.22 7.06 1i60A1 TRP 219 HE1 -0.72 0.02 -0.02 -0.04 10.20 9.43 1i60A1 TRP 219 HE3 -0.09 0.04 -0.03 -0.04 7.59 7.47 1i60A1 TRP 219 HZ2 -0.50 0.02 0.01 -0.04 7.44 6.92 1i60A1 TRP 219 HZ3 -0.04 -0.02 -0.04 -0.04 7.13 6.99 1i60A1 TRP 219 HH2 -0.08 0.05 0.00 -0.04 7.19 7.12 1i60A1 PRO 220 HA 0.11 -0.06 0.20 -0.51 4.44 4.18 1i60A1 PRO 220 HB2 0.10 0.17 -0.20 -0.04 2.28 2.31 1i60A1 PRO 220 HB3 0.10 0.03 -0.02 -0.04 2.02 2.09 1i60A1 PRO 220 HG2 0.13 0.11 -0.06 -0.04 2.03 2.16 1i60A1 PRO 220 HG3 0.12 -0.05 -0.17 -0.04 2.03 1.89 1i60A1 PRO 220 HD2 0.32 0.14 0.09 -0.04 3.68 4.20 1i60A1 PRO 220 HD3 0.37 0.09 0.13 -0.04 3.65 4.19 1i60A1 GLY 221 H 0.06 0.03 0.13 -0.55 8.43 8.11 1i60A1 GLY 221 HA2 0.04 0.00 0.38 -0.51 4.01 3.92 1i60A1 GLY 221 HA3 0.06 0.23 0.56 -0.51 4.01 4.35 1i60A1 GLN 222 H 0.11 0.58 -0.36 -0.55 8.47 8.26 1i60A1 GLN 222 HA 0.06 0.23 0.76 -0.75 4.36 4.65 1i60A1 GLN 222 HB2 0.17 -0.04 -0.04 -0.04 2.15 2.19 1i60A1 GLN 222 HB3 0.11 -0.03 0.11 -0.04 2.02 2.18 1i60A1 GLN 222 HG2 0.10 0.06 -0.14 -0.04 2.40 2.37 1i60A1 GLN 222 HG3 0.16 0.12 -0.25 -0.04 2.39 2.38 1i60A1 GLN 222 HE21 0.13 -0.03 -0.03 -0.04 6.97 7.00 1i60A1 GLN 222 HE22 0.05 0.07 -0.07 -0.04 7.69 7.71 1i60A1 GLY 223 H 0.03 -0.06 -0.30 -0.55 8.43 7.56 1i60A1 GLY 223 HA2 -0.02 0.29 0.85 -0.51 4.01 4.61 1i60A1 GLY 223 HA3 -0.02 -0.24 0.34 -0.51 4.01 3.57 1i60A1 ALA 224 H -0.10 0.44 0.25 -0.55 8.40 8.44 1i60A1 ALA 224 HA -0.04 0.28 0.87 -0.75 4.34 4.69 1i60A1 ALA 224 HB3 -0.05 0.02 0.02 -0.04 1.41 1.35 1i60A1 ILE 225 H -0.15 -0.11 -0.01 -0.55 8.25 7.42 1i60A1 ILE 225 HA -0.24 0.16 0.48 -0.75 4.18 3.82 1i60A1 ILE 225 HB -0.11 -0.04 0.09 -0.04 1.89 1.79 1i60A1 ILE 225 HG12 -0.64 0.14 -0.06 -0.04 1.49 0.88 1i60A1 ILE 225 HG13 -0.26 -0.18 0.02 -0.04 1.21 0.75 1i60A1 ILE 225 HG23 -0.19 -0.00 -0.20 -0.04 0.93 0.49 1i60A1 ILE 225 HD13 0.08 0.05 -0.31 -0.04 0.88 0.67 1i60A1 ASP 226 H -0.05 0.20 0.12 -0.55 8.40 8.13 1i60A1 ASP 226 HA -0.06 0.19 0.60 -0.75 4.63 4.60 1i60A1 ASP 226 HB2 0.02 0.14 0.17 -0.04 2.71 3.00 1i60A1 ASP 226 HB3 -0.03 -0.03 0.26 -0.04 2.70 2.85 1i60A1 LEU 227 H -0.12 0.62 -0.11 -0.55 8.37 8.21 1i60A1 LEU 227 HA -0.29 0.01 0.36 -0.75 4.35 3.68 1i60A1 LEU 227 HB2 -0.02 0.09 0.08 -0.04 1.64 1.75 1i60A1 LEU 227 HB3 0.01 0.07 0.01 -0.04 1.64 1.69 1i60A1 LEU 227 HG -0.07 0.01 0.00 -0.04 1.64 1.54 1i60A1 LEU 227 HD13 0.05 0.04 0.06 -0.04 0.93 1.04 1i60A1 LEU 227 HD23 0.03 0.03 0.05 -0.04 0.89 0.95 1i60A1 ASP 228 H -0.05 0.12 -0.23 -0.55 8.40 7.69 1i60A1 ASP 228 HA -0.13 0.16 0.37 -0.75 4.63 4.28 1i60A1 ASP 228 HB2 0.02 -0.08 0.06 -0.04 2.71 2.66 1i60A1 ASP 228 HB3 0.08 0.07 -0.07 -0.04 2.70 2.74 1i60A1 ALA 229 H -0.08 0.14 -0.28 -0.55 8.40 7.65 1i60A1 ALA 229 HA -0.04 0.11 0.46 -0.75 4.34 4.11 1i60A1 ALA 229 HB3 0.02 0.03 0.10 -0.04 1.41 1.51 1i60A1 HIS 230 H -0.06 0.36 -0.07 -0.55 8.41 8.10 1i60A1 HIS 230 HA -0.32 0.02 0.37 -0.75 4.63 3.94 1i60A1 HIS 230 HB2 -0.11 0.06 0.14 -0.04 3.26 3.30 1i60A1 HIS 230 HB3 -0.24 0.01 -0.04 -0.04 3.20 2.89 1i60A1 HIS 230 HD2 -0.21 -0.06 -0.07 -0.04 6.97 6.59 1i60A1 HIS 230 HE1 0.17 0.16 0.04 -0.04 7.75 8.06 1i60A1 LEU 231 H -0.19 0.65 -0.09 -0.55 8.37 8.19 1i60A1 LEU 231 HA -0.10 0.03 0.39 -0.75 4.35 3.92 1i60A1 LEU 231 HB2 -0.89 0.07 0.10 -0.04 1.64 0.87 1i60A1 LEU 231 HB3 -0.40 0.05 -0.02 -0.04 1.64 1.22 1i60A1 LEU 231 HG -0.04 -0.07 0.04 -0.04 1.64 1.53 1i60A1 LEU 231 HD13 0.08 -0.01 -0.15 -0.04 0.93 0.81 1i60A1 LEU 231 HD23 0.18 -0.00 -0.04 -0.04 0.89 0.98 1i60A1 SER 232 H -0.41 0.49 -0.18 -0.55 8.46 7.81 1i60A1 SER 232 HA -0.07 0.07 0.42 -0.75 4.49 4.16 1i60A1 SER 232 HB2 -0.00 0.07 0.16 -0.04 3.95 4.13 1i60A1 SER 232 HB3 -0.07 -0.01 0.18 -0.04 3.93 3.99 1i60A1 ALA 233 H -0.12 0.54 -0.23 -0.55 8.40 8.05 1i60A1 ALA 233 HA -0.06 0.02 0.41 -0.75 4.34 3.97 1i60A1 ALA 233 HB3 -0.16 -0.00 0.02 -0.04 1.41 1.23 1i60A1 LEU 234 H -0.10 0.53 -0.10 -0.55 8.37 8.15 1i60A1 LEU 234 HA -0.00 -0.02 0.37 -0.75 4.35 3.94 1i60A1 LEU 234 HB2 0.07 0.11 0.12 -0.04 1.64 1.90 1i60A1 LEU 234 HB3 0.19 0.04 -0.06 -0.04 1.64 1.76 1i60A1 LEU 234 HG -0.34 0.08 0.02 -0.04 1.64 1.36 1i60A1 LEU 234 HD13 -0.85 -0.03 -0.12 -0.04 0.93 -0.11 1i60A1 LEU 234 HD23 -0.40 -0.02 -0.06 -0.04 0.89 0.37 1i60A1 LYS 235 H 0.11 0.48 -0.24 -0.55 8.42 8.22 1i60A1 LYS 235 HA 0.31 0.15 0.46 -0.75 4.32 4.49 1i60A1 LYS 235 HB2 -0.45 0.03 0.10 -0.04 1.87 1.50 1i60A1 LYS 235 HB3 -0.07 0.07 0.18 -0.04 1.79 1.93 1i60A1 LYS 235 HG2 -0.06 -0.05 -0.13 -0.04 1.46 1.17 1i60A1 LYS 235 HG3 -0.24 0.01 0.05 -0.04 1.46 1.24 1i60A1 LYS 235 HD2 -0.38 0.13 0.07 -0.04 1.69 1.46 1i60A1 LYS 235 HD3 -0.07 -0.08 0.04 -0.04 1.68 1.52 1i60A1 LYS 235 HE2 -0.12 -0.03 0.04 -0.04 2.99 2.84 1i60A1 LYS 235 HE3 -0.08 -0.08 0.00 -0.04 2.99 2.80 1i60A1 GLU 236 H 0.02 0.47 -0.09 -0.55 8.60 8.45 1i60A1 GLU 236 HA 0.02 -0.00 0.44 -0.75 4.29 4.00 1i60A1 GLU 236 HB2 0.00 -0.02 0.15 -0.04 2.09 2.18 1i60A1 GLU 236 HB3 -0.00 0.09 0.21 -0.04 1.99 2.25 1i60A1 GLU 236 HG2 0.01 0.08 -0.13 -0.04 2.34 2.26 1i60A1 GLU 236 HG3 0.01 -0.05 0.09 -0.04 2.34 2.34 1i60A1 ILE 237 H 0.05 0.42 -0.22 -0.55 8.25 7.95 1i60A1 ILE 237 HA 0.05 0.17 0.82 -0.75 4.18 4.47 1i60A1 ILE 237 HB 0.06 -0.08 0.20 -0.04 1.89 2.03 1i60A1 ILE 237 HG12 0.04 0.20 0.12 -0.04 1.49 1.81 1i60A1 ILE 237 HG13 0.11 -0.12 -0.16 -0.04 1.21 1.00 1i60A1 ILE 237 HG23 -0.01 0.07 0.02 -0.04 0.93 0.97 1i60A1 ILE 237 HD13 -0.02 -0.02 -0.17 -0.04 0.88 0.62 1i60A1 GLY 238 H 0.11 0.41 -0.40 -0.55 8.43 8.01 1i60A1 GLY 238 HA2 0.10 0.06 0.26 -0.51 4.01 3.92 1i60A1 GLY 238 HA3 0.10 0.02 0.53 -0.51 4.01 4.15 1i60A1 PHE 239 H 0.25 0.42 0.02 -0.55 8.34 8.48 1i60A1 PHE 239 HA 0.05 0.11 0.68 -0.75 4.62 4.71 1i60A1 PHE 239 HB2 0.04 0.03 0.08 -0.04 3.15 3.26 1i60A1 PHE 239 HB3 -0.00 -0.02 0.08 -0.04 3.06 3.08 1i60A1 PHE 239 HD2 -0.07 0.15 -0.12 -0.04 7.28 7.20 1i60A1 PHE 239 HE2 0.00 0.13 -0.22 -0.04 7.38 7.25 1i60A1 PHE 239 HZ 0.06 0.10 -0.02 -0.04 7.32 7.42 1i60A1 SER 240 H -0.87 -0.05 0.19 -0.55 8.46 7.19 1i60A1 SER 240 HA -0.66 0.05 0.28 -0.75 4.49 3.40 1i60A1 SER 240 HB2 -0.02 -0.01 0.11 -0.04 3.95 3.98 1i60A1 SER 240 HB3 0.10 0.16 -0.33 -0.04 3.93 3.81 1i60A1 ASP 241 H -1.06 -0.06 0.15 -0.55 8.40 6.88 1i60A1 ASP 241 HA -0.16 0.15 0.51 -0.75 4.63 4.38 1i60A1 ASP 241 HB2 -0.04 0.03 0.01 -0.04 2.71 2.67 1i60A1 ASP 241 HB3 -0.14 -0.00 0.12 -0.04 2.70 2.64 1i60A1 VAL 242 H -0.10 0.08 0.05 -0.55 8.24 7.72 1i60A1 VAL 242 HA 0.07 0.50 0.77 -0.75 4.13 4.72 1i60A1 VAL 242 HB 0.10 0.12 -0.33 -0.04 2.12 1.97 1i60A1 VAL 242 HG13 0.07 -0.06 -0.10 -0.04 0.97 0.85 1i60A1 VAL 242 HG23 0.14 -0.02 -0.31 -0.04 0.95 0.71 1i60A1 VAL 243 H 0.14 0.71 0.30 -0.55 8.24 8.84 1i60A1 VAL 243 HA 0.23 0.19 0.96 -0.75 4.13 4.76 1i60A1 VAL 243 HB 0.28 0.04 -0.08 -0.04 2.12 2.32 1i60A1 VAL 243 HG13 0.11 0.04 0.06 -0.04 0.97 1.14 1i60A1 VAL 243 HG23 0.06 -0.04 -0.15 -0.04 0.95 0.77 1i60A1 SER 244 H 0.02 0.70 0.38 -0.55 8.46 9.02 1i60A1 SER 244 HA 0.09 0.33 0.98 -0.75 4.49 5.14 1i60A1 SER 244 HB2 0.07 0.04 -0.21 -0.04 3.95 3.81 1i60A1 SER 244 HB3 0.04 -0.04 -0.05 -0.04 3.93 3.84 1i60A1 VAL 245 H 0.07 0.51 0.29 -0.55 8.24 8.55 1i60A1 VAL 245 HA -0.04 0.22 0.97 -0.75 4.13 4.53 1i60A1 VAL 245 HB 0.12 0.07 0.10 -0.04 2.12 2.36 1i60A1 VAL 245 HG13 0.26 0.04 0.19 -0.04 0.97 1.42 1i60A1 VAL 245 HG23 0.20 -0.01 -0.05 -0.04 0.95 1.05 1i60A1 GLU 246 H -0.13 0.52 0.26 -0.55 8.60 8.71 1i60A1 GLU 246 HA -0.32 0.10 1.02 -0.75 4.29 4.34 1i60A1 GLU 246 HB2 -0.53 0.00 -0.20 -0.04 2.09 1.32 1i60A1 GLU 246 HB3 -0.23 -0.01 0.04 -0.04 1.99 1.75 1i60A1 GLU 246 HG2 -0.34 0.05 -0.34 -0.04 2.34 1.68 1i60A1 GLU 246 HG3 -0.40 -0.11 -0.06 -0.04 2.34 1.74 1i60A1 LEU 247 H -0.29 0.18 0.09 -0.55 8.37 7.81 1i60A1 LEU 247 HA -0.17 0.18 0.88 -0.75 4.35 4.48 1i60A1 LEU 247 HB2 -0.18 0.03 0.03 -0.04 1.64 1.48 1i60A1 LEU 247 HB3 -0.26 -0.08 -0.02 -0.04 1.64 1.24 1i60A1 LEU 247 HG -0.80 0.02 -0.15 -0.04 1.64 0.67 1i60A1 LEU 247 HD13 -0.16 0.06 -0.26 -0.04 0.93 0.53 1i60A1 LEU 247 HD23 0.11 0.02 -0.40 -0.04 0.89 0.58 1i60A1 PHE 248 H -0.10 0.21 0.06 -0.55 8.34 7.96 1i60A1 PHE 248 HA -0.00 0.25 0.65 -0.75 4.62 4.77 1i60A1 PHE 248 HB2 -0.18 0.14 -0.12 -0.04 3.15 2.94 1i60A1 PHE 248 HB3 -0.06 -0.03 0.04 -0.04 3.06 2.96 1i60A1 PHE 248 HD2 -0.07 0.02 -0.14 -0.04 7.28 7.05 1i60A1 PHE 248 HE2 -0.02 0.01 -0.11 -0.04 7.38 7.22 1i60A1 PHE 248 HZ -0.00 -0.01 -0.09 -0.04 7.32 7.18 1i60A1 ARG 249 H -0.38 0.06 -0.05 -0.55 8.46 7.53 1i60A1 ARG 249 HA -0.32 0.31 0.85 -0.75 4.34 4.43 1i60A1 ARG 249 HB2 -0.57 0.17 0.09 -0.04 1.90 1.54 1i60A1 ARG 249 HB3 -1.16 -0.15 0.13 -0.04 1.80 0.58 1i60A1 ARG 249 HG2 -0.63 -0.37 -0.01 -0.04 1.67 0.62 1i60A1 ARG 249 HG3 -0.42 0.31 0.15 -0.04 1.67 1.68 1i60A1 ARG 249 HD2 -0.79 0.27 0.14 -0.04 3.22 2.79 1i60A1 ARG 249 HD3 -1.95 -0.15 0.03 -0.04 3.22 1.11 1i60A1 PRO 250 HA -0.20 0.08 0.39 -0.51 4.44 4.20 1i60A1 PRO 250 HB2 -0.09 0.01 0.08 -0.04 2.28 2.24 1i60A1 PRO 250 HB3 0.01 0.06 0.08 -0.04 2.02 2.13 1i60A1 PRO 250 HG2 -0.03 0.04 0.12 -0.04 2.03 2.12 1i60A1 PRO 250 HG3 0.02 0.06 0.10 -0.04 2.03 2.16 1i60A1 PRO 250 HD2 -0.18 0.14 0.32 -0.04 3.68 3.91 1i60A1 PRO 250 HD3 -0.14 0.32 0.46 -0.04 3.65 4.25 1i60A1 GLU 251 H -0.33 0.15 -0.18 -0.55 8.60 7.69 1i60A1 GLU 251 HA -0.08 0.09 0.36 -0.75 4.29 3.91 1i60A1 GLU 251 HB2 -0.22 0.03 0.09 -0.04 2.09 1.96 1i60A1 GLU 251 HB3 -0.59 -0.03 0.04 -0.04 1.99 1.37 1i60A1 GLU 251 HG2 0.06 0.00 -0.22 -0.04 2.34 2.14 1i60A1 GLU 251 HG3 -0.02 0.02 0.02 -0.04 2.34 2.32 1i60A1 TYR 252 H -0.58 0.20 -0.27 -0.55 8.29 7.09 1i60A1 TYR 252 HA 0.02 0.07 0.47 -0.75 4.56 4.35 1i60A1 TYR 252 HB2 -0.41 0.13 0.04 -0.04 3.06 2.78 1i60A1 TYR 252 HB3 0.01 0.00 0.09 -0.04 2.98 3.04 1i60A1 TYR 252 HD2 -0.53 0.01 -0.10 -0.04 7.15 6.48 1i60A1 TYR 252 HE2 -0.64 -0.01 -0.08 -0.04 6.85 6.07 1i60A1 TYR 253 H -0.16 0.39 -0.38 -0.55 8.29 7.59 1i60A1 TYR 253 HA 0.08 0.06 0.45 -0.75 4.56 4.39 1i60A1 TYR 253 HB2 0.02 0.17 0.04 -0.04 3.06 3.25 1i60A1 TYR 253 HB3 0.03 -0.03 -0.02 -0.04 2.98 2.92 1i60A1 TYR 253 HD2 0.03 0.07 -0.09 -0.04 7.15 7.11 1i60A1 TYR 253 HE2 -0.01 0.10 -0.23 -0.04 6.85 6.66 1i60A1 LYS 254 H 0.13 0.29 -0.48 -0.55 8.42 7.80 1i60A1 LYS 254 HA 0.10 0.07 0.51 -0.75 4.32 4.24 1i60A1 LYS 254 HB2 0.09 0.19 0.11 -0.04 1.87 2.21 1i60A1 LYS 254 HB3 0.07 -0.08 0.05 -0.04 1.79 1.79 1i60A1 LYS 254 HG2 0.06 -0.03 0.01 -0.04 1.46 1.46 1i60A1 LYS 254 HG3 0.06 0.06 0.02 -0.04 1.46 1.55 1i60A1 LYS 254 HD2 0.04 -0.04 0.02 -0.04 1.69 1.67 1i60A1 LYS 254 HD3 0.03 -0.06 -0.00 -0.04 1.68 1.61 1i60A1 LYS 254 HE2 -0.00 -0.14 0.18 -0.04 2.99 2.99 1i60A1 LYS 254 HE3 0.06 0.13 0.11 -0.04 2.99 3.25 1i60A1 LEU 255 H 0.17 0.24 -0.35 -0.55 8.37 7.88 1i60A1 LEU 255 HA 0.09 0.02 0.52 -0.75 4.35 4.24 1i60A1 LEU 255 HB2 0.18 0.17 0.03 -0.04 1.64 1.98 1i60A1 LEU 255 HB3 0.11 -0.18 0.09 -0.04 1.64 1.62 1i60A1 LEU 255 HG 0.22 0.01 0.07 -0.04 1.64 1.90 1i60A1 LEU 255 HD13 0.28 -0.01 -0.03 -0.04 0.93 1.14 1i60A1 LEU 255 HD23 0.13 -0.01 -0.04 -0.04 0.89 0.93 1i60A1 THR 256 H 0.06 0.01 0.16 -0.55 8.28 7.96 1i60A1 THR 256 HA 0.05 0.26 0.56 -0.75 4.39 4.51 1i60A1 THR 256 HB 0.03 -0.04 0.17 -0.04 4.32 4.44 1i60A1 THR 256 HG23 0.03 0.05 0.08 -0.04 1.22 1.34 1i60A1 ALA 257 H 0.04 0.22 0.20 -0.55 8.40 8.32 1i60A1 ALA 257 HA 0.06 0.13 0.35 -0.75 4.34 4.13 1i60A1 ALA 257 HB3 0.01 0.07 0.15 -0.04 1.41 1.60 1i60A1 GLU 258 H 0.01 0.10 -0.11 -0.55 8.60 8.06 1i60A1 GLU 258 HA -0.01 0.11 0.37 -0.75 4.29 4.00 1i60A1 GLU 258 HB2 0.04 0.03 0.07 -0.04 2.09 2.19 1i60A1 GLU 258 HB3 0.02 -0.02 0.04 -0.04 1.99 1.99 1i60A1 GLU 258 HG2 0.01 0.01 -0.19 -0.04 2.34 2.12 1i60A1 GLU 258 HG3 0.14 0.03 0.03 -0.04 2.34 2.50 1i60A1 GLU 259 H 0.01 0.07 -0.26 -0.55 8.60 7.87 1i60A1 GLU 259 HA -0.07 0.09 0.41 -0.75 4.29 3.97 1i60A1 GLU 259 HB2 0.04 0.03 0.13 -0.04 2.09 2.24 1i60A1 GLU 259 HB3 -0.00 0.05 0.03 -0.04 1.99 2.02 1i60A1 GLU 259 HG2 -0.01 0.07 0.04 -0.04 2.34 2.40 1i60A1 GLU 259 HG3 0.01 -0.08 0.06 -0.04 2.34 2.29 1i60A1 ALA 260 H 0.06 0.53 -0.26 -0.55 8.40 8.19 1i60A1 ALA 260 HA 0.16 0.00 0.41 -0.75 4.34 4.15 1i60A1 ALA 260 HB3 0.26 0.06 0.01 -0.04 1.41 1.70 1i60A1 ILE 261 H -0.03 0.56 -0.11 -0.55 8.25 8.12 1i60A1 ILE 261 HA -0.04 -0.00 0.39 -0.75 4.18 3.77 1i60A1 ILE 261 HB -0.13 0.04 0.08 -0.04 1.89 1.84 1i60A1 ILE 261 HG12 -1.22 -0.05 -0.04 -0.04 1.49 0.13 1i60A1 ILE 261 HG13 -0.22 0.08 0.00 -0.04 1.21 1.04 1i60A1 ILE 261 HG23 -0.26 0.00 -0.23 -0.04 0.93 0.40 1i60A1 ILE 261 HD13 -0.34 -0.04 -0.13 -0.04 0.88 0.34 1i60A1 GLN 262 H -0.16 0.59 -0.19 -0.55 8.47 8.16 1i60A1 GLN 262 HA -0.23 0.11 0.55 -0.75 4.36 4.04 1i60A1 GLN 262 HB2 -0.22 0.04 0.15 -0.04 2.15 2.08 1i60A1 GLN 262 HB3 -0.26 -0.04 0.02 -0.04 2.02 1.70 1i60A1 GLN 262 HG2 -1.11 0.02 0.02 -0.04 2.40 1.30 1i60A1 GLN 262 HG3 -0.48 0.14 0.06 -0.04 2.39 2.07 1i60A1 GLN 262 HE21 -0.07 -0.01 -0.02 -0.04 6.97 6.83 1i60A1 GLN 262 HE22 -0.35 0.04 0.00 -0.04 7.69 7.34 1i60A1 THR 263 H -0.29 0.58 -0.11 -0.55 8.28 7.92 1i60A1 THR 263 HA -0.44 0.03 0.52 -0.75 4.39 3.75 1i60A1 THR 263 HB -0.93 0.07 0.15 -0.04 4.32 3.56 1i60A1 THR 263 HG23 -1.41 -0.03 -0.04 -0.04 1.22 -0.30 1i60A1 ALA 264 H -0.38 0.61 -0.15 -0.55 8.40 7.94 1i60A1 ALA 264 HA -0.35 -0.05 0.41 -0.75 4.34 3.59 1i60A1 ALA 264 HB3 0.30 0.03 0.09 -0.04 1.41 1.79 1i60A1 LYS 265 H -0.06 0.33 -0.39 -0.55 8.42 7.75 1i60A1 LYS 265 HA -0.06 0.03 0.51 -0.75 4.32 4.04 1i60A1 LYS 265 HB2 -0.06 0.07 0.13 -0.04 1.87 1.96 1i60A1 LYS 265 HB3 -0.11 0.09 0.19 -0.04 1.79 1.92 1i60A1 LYS 265 HG2 -0.15 -0.08 -0.20 -0.04 1.46 1.00 1i60A1 LYS 265 HG3 -0.35 -0.04 0.03 -0.04 1.46 1.06 1i60A1 LYS 265 HD2 -0.18 0.16 0.06 -0.04 1.69 1.70 1i60A1 LYS 265 HD3 -0.09 -0.08 0.03 -0.04 1.68 1.50 1i60A1 LYS 265 HE2 -0.10 -0.12 -0.02 -0.04 2.99 2.70 1i60A1 LYS 265 HE3 -0.18 0.02 0.00 -0.04 2.99 2.79 1i60A1 LYS 266 H -0.18 0.57 0.00 -0.55 8.42 8.25 1i60A1 LYS 266 HA -0.10 0.05 0.39 -0.75 4.32 3.92 1i60A1 LYS 266 HB2 -0.14 0.06 0.14 -0.04 1.87 1.89 1i60A1 LYS 266 HB3 -0.21 -0.01 0.17 -0.04 1.79 1.71 1i60A1 LYS 266 HG2 -0.10 -0.01 -0.25 -0.04 1.46 1.06 1i60A1 LYS 266 HG3 -0.08 -0.01 0.03 -0.04 1.46 1.36 1i60A1 LYS 266 HD2 -0.09 0.01 -0.00 -0.04 1.69 1.57 1i60A1 LYS 266 HD3 -0.12 -0.02 -0.02 -0.04 1.68 1.48 1i60A1 LYS 266 HE2 -0.06 -0.01 -0.02 -0.04 2.99 2.85 1i60A1 LYS 266 HE3 -0.06 -0.01 -0.05 -0.04 2.99 2.83 1i60A1 THR 267 H -0.24 0.56 -0.09 -0.55 8.28 7.96 1i60A1 THR 267 HA -0.06 0.04 0.36 -0.75 4.39 3.98 1i60A1 THR 267 HB 0.02 0.15 0.00 -0.04 4.32 4.46 1i60A1 THR 267 HG23 -0.31 -0.01 0.03 -0.04 1.22 0.90 1i60A1 THR 268 H -0.03 0.39 -0.32 -0.55 8.28 7.77 1i60A1 THR 268 HA 0.07 -0.07 0.44 -0.75 4.39 4.07 1i60A1 THR 268 HB 0.02 0.15 0.24 -0.04 4.32 4.70 1i60A1 THR 268 HG23 0.07 -0.02 -0.14 -0.04 1.22 1.09 1i60A1 VAL 269 H -0.02 0.74 0.04 -0.55 8.24 8.46 1i60A1 VAL 269 HA 0.04 -0.00 0.38 -0.75 4.13 3.79 1i60A1 VAL 269 HB -0.04 0.08 0.14 -0.04 2.12 2.27 1i60A1 VAL 269 HG13 -0.00 -0.01 -0.13 -0.04 0.97 0.79 1i60A1 VAL 269 HG23 -0.05 0.01 0.06 -0.04 0.95 0.93 1i60A1 ASP 270 H -0.01 0.66 -0.16 -0.55 8.40 8.34 1i60A1 ASP 270 HA 0.01 0.02 0.35 -0.75 4.63 4.26 1i60A1 ASP 270 HB2 -0.01 0.09 0.10 -0.04 2.71 2.85 1i60A1 ASP 270 HB3 0.00 -0.06 -0.00 -0.04 2.70 2.59 1i60A1 VAL 271 H 0.06 0.38 -0.35 -0.55 8.24 7.78 1i60A1 VAL 271 HA 0.09 0.05 0.52 -0.75 4.13 4.04 1i60A1 VAL 271 HB 0.10 0.10 0.18 -0.04 2.12 2.46 1i60A1 VAL 271 HG13 0.12 -0.05 -0.18 -0.04 0.97 0.83 1i60A1 VAL 271 HG23 0.07 -0.02 -0.15 -0.04 0.95 0.82 1i60A1 VAL 272 H 0.13 0.68 0.12 -0.55 8.24 8.62 1i60A1 VAL 272 HA 0.29 -0.02 0.39 -0.75 4.13 4.03 1i60A1 VAL 272 HB 0.15 0.09 0.05 -0.04 2.12 2.37 1i60A1 VAL 272 HG13 0.26 0.01 -0.13 -0.04 0.97 1.06 1i60A1 VAL 272 HG23 0.21 -0.01 0.02 -0.04 0.95 1.13 1i60A1 SER 273 H 0.11 0.65 -0.09 -0.55 8.46 8.58 1i60A1 SER 273 HA 0.14 0.39 0.52 -0.75 4.49 4.79 1i60A1 SER 273 HB2 0.05 -0.07 0.13 -0.04 3.95 4.01 1i60A1 SER 273 HB3 0.06 -0.04 0.14 -0.04 3.93 4.05 1i60A1 LYS 274 H 0.12 0.32 -0.65 -0.55 8.42 7.65 1i60A1 LYS 274 HA -0.07 0.06 0.50 -0.75 4.32 4.05 1i60A1 LYS 274 HB2 0.06 0.12 0.06 -0.04 1.87 2.07 1i60A1 LYS 274 HB3 -0.20 -0.10 0.11 -0.04 1.79 1.56 1i60A1 LYS 274 HG2 -0.02 -0.06 0.01 -0.04 1.46 1.34 1i60A1 LYS 274 HG3 0.04 0.31 0.08 -0.04 1.46 1.85 1i60A1 LYS 274 HD2 0.05 -0.05 0.06 -0.04 1.69 1.71 1i60A1 LYS 274 HD3 -0.03 -0.09 0.04 -0.04 1.68 1.56 1i60A1 LYS 274 HE2 0.03 0.23 0.04 -0.04 2.99 3.24 1i60A1 LYS 274 HE3 0.02 -0.11 0.01 -0.04 2.99 2.86 1i60A1 TYR 275 H 0.19 0.39 -0.24 -0.55 8.29 8.07 1i60A1 TYR 275 HA -0.17 0.14 0.84 -0.75 4.56 4.62 1i60A1 TYR 275 HB2 -0.01 0.06 0.04 -0.04 3.06 3.11 1i60A1 TYR 275 HB3 -0.54 -0.00 -0.05 -0.04 2.98 2.35 1i60A1 TYR 275 HD2 -0.06 0.07 -0.10 -0.04 7.15 7.02 1i60A1 TYR 275 HE2 -0.02 -0.05 -0.02 -0.04 6.85 6.72 1i60A1 PHE 276 H 0.26 0.37 0.19 -0.55 8.34 8.59 1i60A1 PHE 276 HA 0.06 0.16 0.96 -0.75 4.62 5.04 1i60A1 PHE 276 HB2 0.09 -0.04 -0.04 -0.04 3.15 3.12 1i60A1 PHE 276 HB3 0.06 0.15 -0.05 -0.04 3.06 3.17 1i60A1 PHE 276 HD2 0.09 0.00 -0.02 -0.04 7.28 7.31 1i60A1 PHE 276 HE2 0.02 0.01 -0.01 -0.04 7.38 7.36 1i60A1 PHE 276 HZ 0.05 -0.08 -0.22 -0.04 7.32 7.04 1i60A1 SER 277 H 0.16 0.15 0.03 -0.55 8.46 8.25 1i60A1 SER 277 HA 0.07 0.14 0.34 -0.75 4.49 4.28 1i60A1 SER 277 HB2 0.07 0.03 0.09 -0.04 3.95 4.10 1i60A1 SER 277 HB3 0.04 0.00 0.07 -0.04 3.93 4.00