============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 22 0.840 97.166 65.621 24.740 -99.200 -91.000 PHE 33 1.000 79.205 64.212 12.124 -99.200 -91.000 TYR 37 0.840 91.531 70.916 20.479 -99.200 -91.000 PHE 59 1.000 72.101 56.741 22.064 -99.200 -91.000 HIS 72 0.900 95.093 52.170 0.969 -99.200 -91.000 TYR 80 0.840 98.563 56.195 21.328 -99.200 -91.000 PHE 81 1.000 89.580 54.042 21.396 -99.200 -91.000 PHE 82 1.000 92.464 61.421 24.997 -99.200 -91.000 TYR 83 0.840 85.408 57.194 25.467 -99.200 -91.000 TYR 93 0.840 83.792 67.380 25.290 -99.200 -91.000 TYR 100 0.840 100.119 68.356 11.653 -99.200 -91.000 TYR 106 0.840 89.834 75.320 1.319 -99.200 -91.000 HIS 111 0.900 100.594 78.835 -2.091 -99.200 -91.000 TYR 112 0.840 100.134 75.434 -7.012 -99.200 -91.000 TYR 123 0.840 103.068 68.797 -7.170 -99.200 -91.000 TYR 127 0.840 98.356 66.600 -4.414 -99.200 -91.000 TYR 129 0.840 97.153 55.627 -8.534 -99.200 -91.000 PHE 132 1.000 89.264 58.843 -8.712 -99.200 -91.000 TYR 137 0.840 91.483 49.835 3.138 -99.200 -91.000 HIS 139 0.900 83.483 53.491 -2.519 -99.200 -91.000 PHE 141 1.000 87.694 47.155 4.894 -99.200 -91.000 HIS 145 0.900 84.800 60.664 3.650 -99.200 -91.000 PHE 167 1.000 87.213 57.557 6.844 -99.200 -91.000 TYR 182 0.840 69.706 65.179 6.849 -99.200 -91.000 TYR 187 0.840 80.480 75.309 -3.630 -99.200 -91.000 TYR 188 0.840 83.424 69.581 -3.273 -99.200 -91.000 PHE 195 1.000 67.255 65.456 -9.736 -99.200 -91.000 TYR 200 0.840 72.849 58.200 -0.209 -99.200 -91.000 TRP 207 1.040 78.629 64.526 -8.505 -99.200 -91.000 TRP6 207 1.020 77.748 64.583 -10.694 -99.200 -91.000 PHE 223 1.000 79.014 70.072 -11.992 -99.200 -91.000 TYR 254 0.840 60.722 61.224 -11.025 -99.200 -91.000 PHE 257 1.000 62.283 73.372 -10.523 -99.200 -91.000 PHE 259 1.000 65.852 71.041 -13.164 -99.200 -91.000 HIS 265 0.900 76.622 74.436 -22.992 -99.200 -91.000 TRP 267 1.040 81.817 66.361 -20.161 -99.200 -91.000 TRP6 267 1.020 82.421 67.179 -18.045 -99.200 -91.000 PHE 271 1.000 87.443 70.617 -17.286 -99.200 -91.000 TYR 289 0.840 72.543 64.329 -15.631 -99.200 -91.000 HIS 303 0.900 90.918 57.899 -17.764 -99.200 -91.000 PHE 305 1.000 94.715 63.176 -15.131 -99.200 -91.000 PHE 306 1.000 94.538 59.137 -12.053 -99.200 -91.000 PHE 326 1.000 103.157 52.215 -9.655 -99.200 -91.000 PHE 328 1.000 96.637 49.113 -6.582 -99.200 -91.000 HIS 347 0.900 108.231 50.288 -13.617 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1uv5A1 SER 35 HA -0.01 -0.01 0.17 -0.75 4.49 3.88 1uv5A1 SER 35 HB2 -0.01 -0.14 0.19 -0.04 3.95 3.95 1uv5A1 SER 35 HB3 0.00 0.05 0.10 -0.04 3.93 4.05 1uv5A1 LYS 36 H -0.04 0.06 0.12 -0.55 8.42 8.01 1uv5A1 LYS 36 HA -0.05 0.12 0.67 -0.75 4.32 4.32 1uv5A1 LYS 36 HB2 -0.06 0.06 0.11 -0.04 1.87 1.93 1uv5A1 LYS 36 HB3 -0.04 -0.02 0.09 -0.04 1.79 1.77 1uv5A1 LYS 36 HG2 -0.05 -0.04 0.05 -0.04 1.46 1.39 1uv5A1 LYS 36 HG3 -0.09 -0.02 -0.14 -0.04 1.46 1.17 1uv5A1 LYS 36 HD2 -0.09 0.17 -0.13 -0.04 1.69 1.59 1uv5A1 LYS 36 HD3 -0.05 -0.03 -0.01 -0.04 1.68 1.55 1uv5A1 LYS 36 HE2 -0.05 -0.02 -0.03 -0.04 2.99 2.85 1uv5A1 LYS 36 HE3 -0.08 -0.02 -0.09 -0.04 2.99 2.76 1uv5A1 VAL 37 H -0.08 0.10 0.19 -0.55 8.24 7.90 1uv5A1 VAL 37 HA -0.15 0.24 0.85 -0.75 4.13 4.31 1uv5A1 VAL 37 HB -0.09 -0.03 0.10 -0.04 2.12 2.06 1uv5A1 VAL 37 HG13 -0.12 -0.00 -0.12 -0.04 0.97 0.68 1uv5A1 VAL 37 HG23 -0.06 0.01 -0.06 -0.04 0.95 0.79 1uv5A1 THR 38 H -0.38 0.59 0.35 -0.55 8.28 8.30 1uv5A1 THR 38 HA -0.25 0.14 0.89 -0.75 4.39 4.42 1uv5A1 THR 38 HB -1.40 -0.02 0.08 -0.04 4.32 2.93 1uv5A1 THR 38 HG23 -0.25 -0.00 -0.16 -0.04 1.22 0.77 1uv5A1 THR 39 H -0.19 0.24 0.16 -0.55 8.28 7.94 1uv5A1 THR 39 HA -0.19 0.38 1.19 -0.75 4.39 5.01 1uv5A1 THR 39 HB -0.12 -0.02 0.08 -0.04 4.32 4.23 1uv5A1 THR 39 HG23 -0.10 -0.00 -0.18 -0.04 1.22 0.89 1uv5A1 VAL 40 H -0.22 0.79 0.41 -0.55 8.24 8.68 1uv5A1 VAL 40 HA -0.18 0.16 0.93 -0.75 4.13 4.30 1uv5A1 VAL 40 HB -0.53 0.07 0.01 -0.04 2.12 1.62 1uv5A1 VAL 40 HG13 -0.50 -0.01 -0.26 -0.04 0.97 0.16 1uv5A1 VAL 40 HG23 -0.77 0.01 -0.23 -0.04 0.95 -0.08 1uv5A1 VAL 41 H -0.11 0.19 0.19 -0.55 8.24 7.95 1uv5A1 VAL 41 HA -0.10 0.19 0.79 -0.75 4.13 4.25 1uv5A1 VAL 41 HB -0.01 -0.03 0.18 -0.04 2.12 2.21 1uv5A1 VAL 41 HG13 -0.03 0.01 -0.13 -0.04 0.97 0.78 1uv5A1 VAL 41 HG23 -0.03 -0.01 -0.01 -0.04 0.95 0.86 1uv5A1 ALA 42 H -0.13 0.94 0.37 -0.55 8.40 9.04 1uv5A1 ALA 42 HA -0.00 0.22 1.06 -0.75 4.34 4.87 1uv5A1 ALA 42 HB3 -0.10 -0.02 -0.13 -0.04 1.41 1.11 1uv5A1 THR 43 H -0.27 0.55 0.38 -0.55 8.28 8.39 1uv5A1 THR 43 HA -0.05 0.16 0.81 -0.75 4.39 4.56 1uv5A1 THR 43 HB -1.11 -0.03 0.06 -0.04 4.32 3.20 1uv5A1 THR 43 HG23 0.01 0.08 -0.06 -0.04 1.22 1.21 1uv5A1 PRO 44 HA 0.03 0.24 0.70 -0.51 4.44 4.89 1uv5A1 PRO 44 HB2 0.05 0.21 -0.05 -0.04 2.28 2.44 1uv5A1 PRO 44 HB3 0.00 -0.00 0.15 -0.04 2.02 2.12 1uv5A1 PRO 44 HG2 0.07 0.07 0.11 -0.04 2.03 2.24 1uv5A1 PRO 44 HG3 0.17 -0.02 0.05 -0.04 2.03 2.18 1uv5A1 PRO 44 HD2 0.05 0.05 0.20 -0.04 3.68 3.94 1uv5A1 PRO 44 HD3 0.06 0.19 0.15 -0.04 3.65 4.01 1uv5A1 GLY 45 H -0.03 0.46 0.03 -0.55 8.43 8.34 1uv5A1 GLY 45 HA2 0.27 -0.05 0.22 -0.51 4.01 3.93 1uv5A1 GLY 45 HA3 0.05 0.07 0.16 -0.51 4.01 3.78 1uv5A1 GLN 46 H -0.00 0.08 0.08 -0.55 8.47 8.08 1uv5A1 GLN 46 HA 0.03 0.21 0.80 -0.75 4.36 4.64 1uv5A1 GLN 46 HB2 0.00 -0.04 0.09 -0.04 2.15 2.17 1uv5A1 GLN 46 HB3 -0.01 0.12 0.06 -0.04 2.02 2.14 1uv5A1 GLN 46 HG2 -0.01 -0.03 -0.13 -0.04 2.40 2.18 1uv5A1 GLN 46 HG3 -0.02 -0.03 0.01 -0.04 2.39 2.31 1uv5A1 GLN 46 HE21 -0.08 0.08 0.05 -0.04 6.97 6.98 1uv5A1 GLN 46 HE22 -0.05 -0.05 0.04 -0.04 7.69 7.59 1uv5A1 GLY 47 H 0.03 0.10 0.12 -0.55 8.43 8.13 1uv5A1 GLY 47 HA2 0.02 -0.05 0.32 -0.51 4.01 3.79 1uv5A1 GLY 47 HA3 0.02 0.15 0.66 -0.51 4.01 4.34 1uv5A1 PRO 48 HA 0.04 -0.02 0.39 -0.51 4.44 4.34 1uv5A1 PRO 48 HB2 0.03 0.02 0.01 -0.04 2.28 2.30 1uv5A1 PRO 48 HB3 0.03 0.01 0.03 -0.04 2.02 2.04 1uv5A1 PRO 48 HG2 0.02 0.03 0.08 -0.04 2.03 2.11 1uv5A1 PRO 48 HG3 0.02 0.02 0.08 -0.04 2.03 2.11 1uv5A1 PRO 48 HD2 0.02 0.16 0.21 -0.04 3.68 4.03 1uv5A1 PRO 48 HD3 0.02 0.07 0.21 -0.04 3.65 3.91 1uv5A1 ASP 49 H 0.05 0.07 0.11 -0.55 8.40 8.08 1uv5A1 ASP 49 HA 0.06 0.22 0.60 -0.75 4.63 4.75 1uv5A1 ASP 49 HB2 0.08 0.09 0.09 -0.04 2.71 2.93 1uv5A1 ASP 49 HB3 0.05 -0.07 0.22 -0.04 2.70 2.86 1uv5A1 ARG 50 H 0.04 0.41 0.09 -0.55 8.46 8.45 1uv5A1 ARG 50 HA 0.02 0.17 0.91 -0.75 4.34 4.68 1uv5A1 ARG 50 HB2 0.03 0.01 0.13 -0.04 1.90 2.04 1uv5A1 ARG 50 HB3 0.02 -0.00 -0.00 -0.04 1.80 1.77 1uv5A1 ARG 50 HG2 0.03 0.05 -0.47 -0.04 1.67 1.24 1uv5A1 ARG 50 HG3 0.02 -0.03 -0.09 -0.04 1.67 1.54 1uv5A1 ARG 50 HD2 0.02 -0.02 -0.09 -0.04 3.22 3.09 1uv5A1 ARG 50 HD3 0.02 0.23 -0.45 -0.04 3.22 2.99 1uv5A1 PRO 51 HA -0.02 0.19 0.41 -0.51 4.44 4.52 1uv5A1 PRO 51 HB2 -0.00 -0.04 0.07 -0.04 2.28 2.27 1uv5A1 PRO 51 HB3 -0.01 -0.01 0.00 -0.04 2.02 1.96 1uv5A1 PRO 51 HG2 0.01 -0.01 0.05 -0.04 2.03 2.03 1uv5A1 PRO 51 HG3 0.00 0.03 0.00 -0.04 2.03 2.02 1uv5A1 PRO 51 HD2 0.01 0.05 0.17 -0.04 3.68 3.87 1uv5A1 PRO 51 HD3 0.02 0.28 0.08 -0.04 3.65 3.98 1uv5A1 GLN 52 H -0.03 0.81 0.46 -0.55 8.47 9.16 1uv5A1 GLN 52 HA -0.03 0.11 0.89 -0.75 4.36 4.58 1uv5A1 GLN 52 HB2 -0.01 -0.08 0.17 -0.04 2.15 2.18 1uv5A1 GLN 52 HB3 0.02 0.21 -0.08 -0.04 2.02 2.12 1uv5A1 GLN 52 HG2 -0.06 0.00 -0.07 -0.04 2.40 2.24 1uv5A1 GLN 52 HG3 -0.11 0.06 -0.29 -0.04 2.39 2.00 1uv5A1 GLN 52 HE21 0.29 -0.02 -0.04 -0.04 6.97 7.17 1uv5A1 GLN 52 HE22 -0.01 -0.05 -0.11 -0.04 7.69 7.49 1uv5A1 GLU 53 H -0.06 0.13 0.18 -0.55 8.60 8.31 1uv5A1 GLU 53 HA -0.11 0.21 0.84 -0.75 4.29 4.48 1uv5A1 GLU 53 HB2 -0.06 -0.01 0.10 -0.04 2.09 2.08 1uv5A1 GLU 53 HB3 -0.07 -0.03 0.13 -0.04 1.99 1.99 1uv5A1 GLU 53 HG2 -0.09 -0.05 -0.26 -0.04 2.34 1.91 1uv5A1 GLU 53 HG3 -0.09 0.08 -0.01 -0.04 2.34 2.27 1uv5A1 VAL 54 H -0.18 0.85 0.42 -0.55 8.24 8.78 1uv5A1 VAL 54 HA -0.16 0.15 0.93 -0.75 4.13 4.30 1uv5A1 VAL 54 HB -0.30 -0.03 -0.05 -0.04 2.12 1.71 1uv5A1 VAL 54 HG13 -0.13 -0.02 -0.22 -0.04 0.97 0.56 1uv5A1 VAL 54 HG23 -0.73 0.02 -0.29 -0.04 0.95 -0.09 1uv5A1 SER 55 H -0.07 0.17 0.20 -0.55 8.46 8.22 1uv5A1 SER 55 HA -0.14 0.47 1.23 -0.75 4.49 5.30 1uv5A1 SER 55 HB2 -0.06 -0.12 0.13 -0.04 3.95 3.86 1uv5A1 SER 55 HB3 -0.10 0.03 -0.01 -0.04 3.93 3.81 1uv5A1 TYR 56 H -0.38 0.75 0.43 -0.55 8.29 8.53 1uv5A1 TYR 56 HA -0.04 0.11 1.07 -0.75 4.56 4.94 1uv5A1 TYR 56 HB2 -0.02 0.06 -0.11 -0.04 3.06 2.95 1uv5A1 TYR 56 HB3 -0.03 -0.05 -0.27 -0.04 2.98 2.58 1uv5A1 TYR 56 HD2 -0.08 -0.01 -0.32 -0.04 7.15 6.70 1uv5A1 TYR 56 HE2 -0.18 -0.01 -0.21 -0.04 6.85 6.41 1uv5A1 THR 57 H 0.11 0.68 0.36 -0.55 8.28 8.88 1uv5A1 THR 57 HA -0.06 0.23 0.81 -0.75 4.39 4.61 1uv5A1 THR 57 HB -0.06 -0.11 -0.31 -0.04 4.32 3.80 1uv5A1 THR 57 HG23 -0.01 0.02 -0.17 -0.04 1.22 1.03 1uv5A1 ASP 58 H -0.00 0.30 0.09 -0.55 8.40 8.25 1uv5A1 ASP 58 HA 0.01 0.19 0.30 -0.75 4.63 4.37 1uv5A1 ASP 58 HB2 0.01 0.08 -0.16 -0.04 2.71 2.61 1uv5A1 ASP 58 HB3 -0.00 -0.00 0.13 -0.04 2.70 2.79 1uv5A1 THR 59 H 0.04 0.01 -0.07 -0.55 8.28 7.71 1uv5A1 THR 59 HA 0.09 0.43 0.61 -0.75 4.39 4.77 1uv5A1 THR 59 HB 0.04 -0.07 0.10 -0.04 4.32 4.35 1uv5A1 THR 59 HG23 0.04 -0.02 -0.20 -0.04 1.22 0.99 1uv5A1 LYS 60 H 0.13 0.53 0.41 -0.55 8.42 8.95 1uv5A1 LYS 60 HA 0.11 0.10 0.79 -0.75 4.32 4.57 1uv5A1 LYS 60 HB2 0.05 -0.00 0.10 -0.04 1.87 1.98 1uv5A1 LYS 60 HB3 0.04 0.05 -0.07 -0.04 1.79 1.77 1uv5A1 LYS 60 HG2 0.02 0.12 -0.02 -0.04 1.46 1.53 1uv5A1 LYS 60 HG3 0.05 -0.17 0.01 -0.04 1.46 1.31 1uv5A1 LYS 60 HD2 0.02 -0.03 -0.06 -0.04 1.69 1.58 1uv5A1 LYS 60 HD3 0.03 0.06 -0.04 -0.04 1.68 1.69 1uv5A1 LYS 60 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.92 1uv5A1 LYS 60 HE3 -0.01 0.02 -0.04 -0.04 2.99 2.93 1uv5A1 VAL 61 H 0.06 0.11 0.18 -0.55 8.24 8.04 1uv5A1 VAL 61 HA -0.18 0.12 0.75 -0.75 4.13 4.07 1uv5A1 VAL 61 HB -0.04 -0.00 0.14 -0.04 2.12 2.18 1uv5A1 VAL 61 HG13 -0.19 0.00 0.02 -0.04 0.97 0.75 1uv5A1 VAL 61 HG23 -0.11 -0.00 0.02 -0.04 0.95 0.81 1uv5A1 ILE 62 H -0.11 0.73 0.55 -0.55 8.25 8.87 1uv5A1 ILE 62 HA 0.01 0.19 0.86 -0.75 4.18 4.49 1uv5A1 ILE 62 HB 0.07 -0.02 0.18 -0.04 1.89 2.08 1uv5A1 ILE 62 HG12 0.07 -0.08 -0.32 -0.04 1.49 1.13 1uv5A1 ILE 62 HG13 0.04 0.03 -0.34 -0.04 1.21 0.90 1uv5A1 ILE 62 HG23 0.06 -0.00 -0.26 -0.04 0.93 0.69 1uv5A1 ILE 62 HD13 0.20 -0.00 -0.13 -0.04 0.88 0.91 1uv5A1 GLY 63 H -0.09 0.19 0.36 -0.55 8.43 8.34 1uv5A1 GLY 63 HA2 -0.01 0.06 0.51 -0.51 4.01 4.07 1uv5A1 GLY 63 HA3 -0.01 0.10 0.42 -0.51 4.01 4.00 1uv5A1 ASN 64 H -0.01 0.24 0.24 -0.55 8.53 8.46 1uv5A1 ASN 64 HA -0.04 0.16 0.89 -0.75 4.76 5.02 1uv5A1 ASN 64 HB2 -0.02 -0.02 0.03 -0.04 2.88 2.83 1uv5A1 ASN 64 HB3 -0.01 0.02 0.05 -0.04 2.79 2.80 1uv5A1 ASN 64 HD21 -0.05 0.01 -0.07 -0.04 7.03 6.88 1uv5A1 ASN 64 HD22 -0.03 -0.03 -0.19 -0.04 7.74 7.45 1uv5A1 GLY 65 H 0.00 0.28 0.22 -0.55 8.43 8.38 1uv5A1 GLY 65 HA2 0.02 0.09 0.46 -0.51 4.01 4.07 1uv5A1 GLY 65 HA3 0.06 0.07 0.37 -0.51 4.01 3.99 1uv5A1 SER 66 H 0.06 0.20 0.14 -0.55 8.46 8.31 1uv5A1 SER 66 HA -0.11 0.17 0.69 -0.75 4.49 4.50 1uv5A1 SER 66 HB2 -0.22 0.05 0.16 -0.04 3.95 3.91 1uv5A1 SER 66 HB3 -0.08 -0.00 0.09 -0.04 3.93 3.90 1uv5A1 PHE 67 H 0.15 0.02 -0.41 -0.55 8.34 7.54 1uv5A1 PHE 67 HA 0.01 0.25 0.83 -0.75 4.62 4.95 1uv5A1 PHE 67 HB2 -0.00 -0.06 0.01 -0.04 3.15 3.06 1uv5A1 PHE 67 HB3 0.00 -0.01 0.15 -0.04 3.06 3.17 1uv5A1 PHE 67 HD2 -0.00 -0.09 -0.04 -0.04 7.28 7.10 1uv5A1 PHE 67 HE2 -0.00 -0.02 -0.06 -0.04 7.38 7.26 1uv5A1 PHE 67 HZ 0.01 0.02 -0.06 -0.04 7.32 7.25 1uv5A1 GLY 68 H 0.04 0.23 -0.24 -0.55 8.43 7.91 1uv5A1 GLY 68 HA2 0.08 0.01 0.40 -0.51 4.01 3.99 1uv5A1 GLY 68 HA3 0.10 0.28 0.82 -0.51 4.01 4.70 1uv5A1 VAL 69 H 0.07 0.44 0.31 -0.55 8.24 8.50 1uv5A1 VAL 69 HA -0.07 0.15 0.85 -0.75 4.13 4.30 1uv5A1 VAL 69 HB -0.05 -0.02 0.10 -0.04 2.12 2.11 1uv5A1 VAL 69 HG13 -0.58 0.03 0.01 -0.04 0.97 0.38 1uv5A1 VAL 69 HG23 -0.01 -0.00 0.07 -0.04 0.95 0.97 1uv5A1 VAL 70 H -0.18 0.60 0.31 -0.55 8.24 8.42 1uv5A1 VAL 70 HA 0.04 0.32 1.19 -0.75 4.13 4.92 1uv5A1 VAL 70 HB -0.02 -0.09 0.03 -0.04 2.12 2.00 1uv5A1 VAL 70 HG13 0.05 0.01 -0.22 -0.04 0.97 0.77 1uv5A1 VAL 70 HG23 0.02 -0.01 -0.29 -0.04 0.95 0.63 1uv5A1 TYR 71 H 0.27 0.84 0.41 -0.55 8.29 9.26 1uv5A1 TYR 71 HA 0.03 0.10 1.24 -0.75 4.56 5.17 1uv5A1 TYR 71 HB2 0.01 -0.07 -0.06 -0.04 3.06 2.91 1uv5A1 TYR 71 HB3 0.03 0.17 0.10 -0.04 2.98 3.23 1uv5A1 TYR 71 HD2 0.01 0.12 -0.21 -0.04 7.15 7.03 1uv5A1 TYR 71 HE2 -0.00 -0.01 -0.12 -0.04 6.85 6.68 1uv5A1 GLN 72 H 0.13 0.57 0.38 -0.55 8.47 9.01 1uv5A1 GLN 72 HA 0.05 0.25 0.99 -0.75 4.36 4.89 1uv5A1 GLN 72 HB2 0.01 -0.03 0.06 -0.04 2.15 2.15 1uv5A1 GLN 72 HB3 -0.02 -0.02 0.12 -0.04 2.02 2.06 1uv5A1 GLN 72 HG2 -0.21 0.05 0.13 -0.04 2.40 2.33 1uv5A1 GLN 72 HG3 -0.60 0.00 0.09 -0.04 2.39 1.84 1uv5A1 GLN 72 HE21 -0.32 -0.03 -0.02 -0.04 6.97 6.56 1uv5A1 GLN 72 HE22 -1.37 -0.01 -0.04 -0.04 7.69 6.23 1uv5A1 ALA 73 H -0.06 0.52 0.35 -0.55 8.40 8.66 1uv5A1 ALA 73 HA 0.04 0.27 0.37 -0.75 4.34 4.26 1uv5A1 ALA 73 HB3 0.05 -0.02 -0.26 -0.04 1.41 1.14 1uv5A1 LYS 74 H 0.08 0.80 0.28 -0.55 8.42 9.03 1uv5A1 LYS 74 HA 0.01 0.30 1.08 -0.75 4.32 4.95 1uv5A1 LYS 74 HB2 -0.01 -0.00 -0.11 -0.04 1.87 1.71 1uv5A1 LYS 74 HB3 0.02 -0.11 -0.04 -0.04 1.79 1.61 1uv5A1 LYS 74 HG2 0.01 0.01 -0.37 -0.04 1.46 1.07 1uv5A1 LYS 74 HG3 -0.00 0.20 -0.32 -0.04 1.46 1.30 1uv5A1 LYS 74 HD2 -0.00 0.07 0.01 -0.04 1.69 1.73 1uv5A1 LYS 74 HD3 -0.01 -0.05 -0.06 -0.04 1.68 1.52 1uv5A1 LYS 74 HE2 0.00 -0.07 -0.14 -0.04 2.99 2.73 1uv5A1 LYS 74 HE3 -0.00 0.00 -0.09 -0.04 2.99 2.86 1uv5A1 LEU 75 H 0.04 0.95 0.17 -0.55 8.37 8.99 1uv5A1 LEU 75 HA 0.09 0.11 0.70 -0.75 4.35 4.49 1uv5A1 LEU 75 HB2 0.05 -0.07 0.11 -0.04 1.64 1.69 1uv5A1 LEU 75 HB3 0.05 -0.07 0.03 -0.04 1.64 1.61 1uv5A1 LEU 75 HG 0.07 0.07 -0.15 -0.04 1.64 1.59 1uv5A1 LEU 75 HD13 0.14 -0.00 -0.10 -0.04 0.93 0.92 1uv5A1 LEU 75 HD23 0.08 -0.00 -0.14 -0.04 0.89 0.79 1uv5A1 CYS 76 H 0.03 0.58 0.34 -0.55 8.50 8.90 1uv5A1 CYS 76 HA 0.00 0.09 0.26 -0.75 4.58 4.18 1uv5A1 CYS 76 HB2 -0.02 -0.06 0.16 -0.04 2.97 3.00 1uv5A1 CYS 76 HB3 -0.02 0.02 -0.05 -0.04 2.97 2.88 1uv5A1 ASP 77 H -0.00 0.10 0.03 -0.55 8.40 7.98 1uv5A1 ASP 77 HA -0.00 0.15 0.33 -0.75 4.63 4.36 1uv5A1 ASP 77 HB2 -0.01 0.04 0.10 -0.04 2.71 2.80 1uv5A1 ASP 77 HB3 -0.01 -0.04 0.10 -0.04 2.70 2.71 1uv5A1 SER 78 H 0.02 0.03 -0.37 -0.55 8.46 7.59 1uv5A1 SER 78 HA 0.01 0.27 0.97 -0.75 4.49 4.99 1uv5A1 SER 78 HB2 0.03 0.05 0.09 -0.04 3.95 4.08 1uv5A1 SER 78 HB3 0.03 -0.04 -0.01 -0.04 3.93 3.87 1uv5A1 GLY 79 H 0.02 0.47 -0.07 -0.55 8.43 8.30 1uv5A1 GLY 79 HA2 0.01 0.05 0.31 -0.51 4.01 3.87 1uv5A1 GLY 79 HA3 0.01 0.07 0.46 -0.51 4.01 4.04 1uv5A1 GLU 80 H 0.03 -0.05 -0.63 -0.55 8.60 7.41 1uv5A1 GLU 80 HA 0.02 0.06 0.41 -0.75 4.29 4.03 1uv5A1 GLU 80 HB2 0.04 -0.10 0.02 -0.04 2.09 2.01 1uv5A1 GLU 80 HB3 0.05 0.08 -0.12 -0.04 1.99 1.95 1uv5A1 GLU 80 HG2 0.04 0.02 0.06 -0.04 2.34 2.41 1uv5A1 GLU 80 HG3 0.03 0.06 0.01 -0.04 2.34 2.40 1uv5A1 LEU 81 H 0.03 0.12 0.24 -0.55 8.37 8.21 1uv5A1 LEU 81 HA -0.05 0.30 0.92 -0.75 4.35 4.77 1uv5A1 LEU 81 HB2 0.01 -0.07 0.21 -0.04 1.64 1.75 1uv5A1 LEU 81 HB3 -0.30 0.02 0.02 -0.04 1.64 1.34 1uv5A1 LEU 81 HG -0.06 0.03 0.04 -0.04 1.64 1.61 1uv5A1 LEU 81 HD13 -0.18 -0.01 0.01 -0.04 0.93 0.70 1uv5A1 LEU 81 HD23 -0.18 0.02 -0.02 -0.04 0.89 0.67 1uv5A1 VAL 82 H -0.02 0.68 0.36 -0.55 8.24 8.72 1uv5A1 VAL 82 HA 0.13 0.14 0.96 -0.75 4.13 4.61 1uv5A1 VAL 82 HB 0.07 0.14 0.01 -0.04 2.12 2.31 1uv5A1 VAL 82 HG13 0.08 -0.02 -0.42 -0.04 0.97 0.57 1uv5A1 VAL 82 HG23 0.01 -0.01 -0.36 -0.04 0.95 0.54 1uv5A1 ALA 83 H 0.10 0.82 0.21 -0.55 8.40 8.98 1uv5A1 ALA 83 HA 0.13 0.34 1.07 -0.75 4.34 5.12 1uv5A1 ALA 83 HB3 0.15 -0.02 -0.05 -0.04 1.41 1.45 1uv5A1 ILE 84 H 0.11 0.69 0.28 -0.55 8.25 8.79 1uv5A1 ILE 84 HA 0.02 0.41 1.05 -0.75 4.18 4.91 1uv5A1 ILE 84 HB 0.04 -0.07 -0.03 -0.04 1.89 1.79 1uv5A1 ILE 84 HG12 -0.09 0.06 -0.35 -0.04 1.49 1.07 1uv5A1 ILE 84 HG13 -0.08 -0.01 -0.54 -0.04 1.21 0.55 1uv5A1 ILE 84 HG23 -0.07 -0.01 -0.32 -0.04 0.93 0.49 1uv5A1 ILE 84 HD13 -0.62 -0.01 -0.28 -0.04 0.88 -0.08 1uv5A1 LYS 85 H 0.02 0.60 0.32 -0.55 8.42 8.80 1uv5A1 LYS 85 HA 0.09 0.32 1.04 -0.75 4.32 5.01 1uv5A1 LYS 85 HB2 0.04 -0.02 -0.05 -0.04 1.87 1.80 1uv5A1 LYS 85 HB3 0.02 -0.07 0.14 -0.04 1.79 1.85 1uv5A1 LYS 85 HG2 0.05 0.02 -0.31 -0.04 1.46 1.19 1uv5A1 LYS 85 HG3 0.05 0.05 -0.29 -0.04 1.46 1.23 1uv5A1 LYS 85 HD2 0.03 -0.03 -0.11 -0.04 1.69 1.55 1uv5A1 LYS 85 HD3 0.03 -0.05 -0.10 -0.04 1.68 1.51 1uv5A1 LYS 85 HE2 0.08 0.17 -0.20 -0.04 2.99 3.00 1uv5A1 LYS 85 HE3 0.06 0.04 -0.25 -0.04 2.99 2.80 1uv5A1 LYS 86 H 0.13 0.80 0.31 -0.55 8.42 9.11 1uv5A1 LYS 86 HA 0.04 0.30 1.03 -0.75 4.32 4.93 1uv5A1 LYS 86 HB2 0.11 -0.01 -0.12 -0.04 1.87 1.81 1uv5A1 LYS 86 HB3 0.23 -0.08 0.14 -0.04 1.79 2.04 1uv5A1 LYS 86 HG2 0.07 -0.02 -0.27 -0.04 1.46 1.21 1uv5A1 LYS 86 HG3 -0.02 0.04 -0.15 -0.04 1.46 1.28 1uv5A1 LYS 86 HD2 -0.13 0.01 -0.13 -0.04 1.69 1.41 1uv5A1 LYS 86 HD3 -0.07 -0.05 -0.09 -0.04 1.68 1.43 1uv5A1 LYS 86 HE2 -0.61 -0.03 -0.12 -0.04 2.99 2.20 1uv5A1 LYS 86 HE3 -1.69 -0.01 -0.19 -0.04 2.99 1.05 1uv5A1 VAL 87 H 0.10 0.56 0.32 -0.55 8.24 8.68 1uv5A1 VAL 87 HA 0.15 0.07 0.85 -0.75 4.13 4.44 1uv5A1 VAL 87 HB 0.12 0.04 -0.00 -0.04 2.12 2.24 1uv5A1 VAL 87 HG13 0.08 0.02 -0.09 -0.04 0.97 0.94 1uv5A1 VAL 87 HG23 0.07 0.02 -0.23 -0.04 0.95 0.77 1uv5A1 LEU 88 H 0.09 0.11 0.11 -0.55 8.37 8.14 1uv5A1 LEU 88 HA -0.39 0.14 0.64 -0.75 4.35 3.99 1uv5A1 LEU 88 HB2 -0.02 -0.04 0.12 -0.04 1.64 1.65 1uv5A1 LEU 88 HB3 -0.06 -0.01 0.07 -0.04 1.64 1.59 1uv5A1 LEU 88 HG -0.18 0.04 -0.05 -0.04 1.64 1.41 1uv5A1 LEU 88 HD13 -0.93 0.08 -0.04 -0.04 0.93 -0.01 1uv5A1 LEU 88 HD23 -0.05 -0.01 -0.01 -0.04 0.89 0.78 1uv5A1 GLN 89 H -0.12 0.78 0.35 -0.55 8.47 8.93 1uv5A1 GLN 89 HA 0.05 0.20 1.06 -0.75 4.36 4.92 1uv5A1 GLN 89 HB2 0.13 -0.00 -0.17 -0.04 2.15 2.06 1uv5A1 GLN 89 HB3 0.16 0.01 -0.15 -0.04 2.02 2.01 1uv5A1 GLN 89 HG2 0.27 0.03 -0.06 -0.04 2.40 2.61 1uv5A1 GLN 89 HG3 0.15 -0.34 -0.04 -0.04 2.39 2.12 1uv5A1 GLN 89 HE21 0.12 0.10 -0.06 -0.04 6.97 7.09 1uv5A1 GLN 89 HE22 0.15 0.13 0.09 -0.04 7.69 8.01 1uv5A1 GLY 90 H 0.10 0.21 0.15 -0.55 8.43 8.35 1uv5A1 GLY 90 HA2 0.08 0.16 0.46 -0.51 4.01 4.20 1uv5A1 GLY 90 HA3 0.19 0.05 0.35 -0.51 4.01 4.09 1uv5A1 LYS 91 H 0.11 0.12 -0.17 -0.55 8.42 7.92 1uv5A1 LYS 91 HA 0.01 0.04 0.25 -0.75 4.32 3.87 1uv5A1 LYS 91 HB2 0.02 0.13 -0.39 -0.04 1.87 1.59 1uv5A1 LYS 91 HB3 -0.03 0.03 0.00 -0.04 1.79 1.76 1uv5A1 LYS 91 HG2 -0.00 -0.02 -0.13 -0.04 1.46 1.26 1uv5A1 LYS 91 HG3 -0.04 -0.01 -0.06 -0.04 1.46 1.31 1uv5A1 LYS 91 HD2 -0.14 0.03 0.02 -0.04 1.69 1.55 1uv5A1 LYS 91 HD3 -0.20 -0.02 0.01 -0.04 1.68 1.43 1uv5A1 LYS 91 HE2 -0.53 -0.01 -0.03 -0.04 2.99 2.37 1uv5A1 LYS 91 HE3 -0.19 -0.00 -0.02 -0.04 2.99 2.73 1uv5A1 ALA 92 H 0.12 0.24 -1.41 -0.55 8.40 6.81 1uv5A1 ALA 92 HA -0.17 0.12 0.56 -0.75 4.34 4.10 1uv5A1 ALA 92 HB3 -0.08 -0.00 0.05 -0.04 1.41 1.33 1uv5A1 PHE 93 H 0.18 -0.00 -0.29 -0.55 8.34 7.67 1uv5A1 PHE 93 HA 0.01 0.17 0.69 -0.75 4.62 4.74 1uv5A1 PHE 93 HB2 0.02 -0.07 0.01 -0.04 3.15 3.06 1uv5A1 PHE 93 HB3 0.02 0.06 0.05 -0.04 3.06 3.15 1uv5A1 PHE 93 HD2 0.01 -0.10 -0.09 -0.04 7.28 7.07 1uv5A1 PHE 93 HE2 0.01 0.01 -0.03 -0.04 7.38 7.32 1uv5A1 PHE 93 HZ 0.01 0.00 -0.03 -0.04 7.32 7.26 1uv5A1 LYS 94 H 0.09 0.14 0.05 -0.55 8.42 8.15 1uv5A1 LYS 94 HA 0.07 0.07 0.33 -0.75 4.32 4.04 1uv5A1 LYS 94 HB2 0.06 0.01 0.02 -0.04 1.87 1.91 1uv5A1 LYS 94 HB3 0.04 0.02 -0.04 -0.04 1.79 1.76 1uv5A1 LYS 94 HG2 0.03 0.03 -0.01 -0.04 1.46 1.46 1uv5A1 LYS 94 HG3 0.02 -0.01 -0.00 -0.04 1.46 1.43 1uv5A1 LYS 94 HD2 0.02 0.01 -0.02 -0.04 1.69 1.66 1uv5A1 LYS 94 HD3 0.02 0.01 -0.04 -0.04 1.68 1.63 1uv5A1 LYS 94 HE2 0.02 0.00 -0.03 -0.04 2.99 2.95 1uv5A1 LYS 94 HE3 0.01 0.00 -0.02 -0.04 2.99 2.94 1uv5A1 ASN 95 H 0.05 0.20 0.11 -0.55 8.53 8.34 1uv5A1 ASN 95 HA 0.06 0.24 0.96 -0.75 4.76 5.27 1uv5A1 ASN 95 HB2 0.07 0.09 0.04 -0.04 2.88 3.04 1uv5A1 ASN 95 HB3 0.02 0.01 0.17 -0.04 2.79 2.94 1uv5A1 ASN 95 HD21 0.05 0.04 0.00 -0.04 7.03 7.09 1uv5A1 ASN 95 HD22 0.07 0.09 0.02 -0.04 7.74 7.88 1uv5A1 ARG 96 H 0.03 0.29 0.08 -0.55 8.46 8.31 1uv5A1 ARG 96 HA -0.01 0.07 0.34 -0.75 4.34 3.99 1uv5A1 ARG 96 HB2 0.02 0.02 0.10 -0.04 1.90 1.99 1uv5A1 ARG 96 HB3 -0.02 0.14 0.01 -0.04 1.80 1.89 1uv5A1 ARG 96 HG2 -0.01 -0.03 -0.02 -0.04 1.67 1.57 1uv5A1 ARG 96 HG3 0.01 -0.02 0.00 -0.04 1.67 1.61 1uv5A1 ARG 96 HD2 -0.01 0.16 0.01 -0.04 3.22 3.34 1uv5A1 ARG 96 HD3 -0.00 -0.05 0.05 -0.04 3.22 3.17 1uv5A1 GLU 97 H -0.04 0.08 -0.16 -0.55 8.60 7.94 1uv5A1 GLU 97 HA -0.05 0.21 0.28 -0.75 4.29 3.98 1uv5A1 GLU 97 HB2 -0.10 0.09 -0.04 -0.04 2.09 2.00 1uv5A1 GLU 97 HB3 -0.04 -0.04 -0.04 -0.04 1.99 1.83 1uv5A1 GLU 97 HG2 -0.03 0.04 -0.25 -0.04 2.34 2.06 1uv5A1 GLU 97 HG3 0.01 -0.04 -0.17 -0.04 2.34 2.11 1uv5A1 LEU 98 H -0.07 0.05 -0.37 -0.55 8.37 7.43 1uv5A1 LEU 98 HA -0.17 0.06 0.29 -0.75 4.35 3.77 1uv5A1 LEU 98 HB2 -0.19 -0.07 0.02 -0.04 1.64 1.36 1uv5A1 LEU 98 HB3 -0.15 0.07 0.11 -0.04 1.64 1.63 1uv5A1 LEU 98 HG -0.42 0.07 -0.24 -0.04 1.64 1.01 1uv5A1 LEU 98 HD13 -0.71 0.01 -0.06 -0.04 0.93 0.13 1uv5A1 LEU 98 HD23 -0.67 -0.01 -0.06 -0.04 0.89 0.11 1uv5A1 GLN 99 H -0.08 0.45 -0.10 -0.55 8.47 8.19 1uv5A1 GLN 99 HA -0.08 0.04 0.32 -0.75 4.36 3.88 1uv5A1 GLN 99 HB2 -0.03 -0.03 0.05 -0.04 2.15 2.10 1uv5A1 GLN 99 HB3 -0.04 0.07 0.12 -0.04 2.02 2.13 1uv5A1 GLN 99 HG2 -0.02 0.05 -0.11 -0.04 2.40 2.27 1uv5A1 GLN 99 HG3 -0.02 -0.01 0.01 -0.04 2.39 2.32 1uv5A1 GLN 99 HE21 0.01 -0.01 -0.04 -0.04 6.97 6.89 1uv5A1 GLN 99 HE22 0.00 -0.00 -0.04 -0.04 7.69 7.62 1uv5A1 ILE 100 H -0.09 0.63 -0.22 -0.55 8.25 8.03 1uv5A1 ILE 100 HA -0.12 0.06 0.43 -0.75 4.18 3.80 1uv5A1 ILE 100 HB -0.10 0.06 0.09 -0.04 1.89 1.90 1uv5A1 ILE 100 HG12 -0.04 -0.01 -0.09 -0.04 1.49 1.31 1uv5A1 ILE 100 HG13 -0.04 0.06 -0.04 -0.04 1.21 1.15 1uv5A1 ILE 100 HG23 -0.21 -0.02 -0.22 -0.04 0.93 0.44 1uv5A1 ILE 100 HD13 0.02 -0.01 -0.26 -0.04 0.88 0.58 1uv5A1 MET 101 H -0.19 0.56 -0.00 -0.55 8.47 8.29 1uv5A1 MET 101 HA -0.35 -0.03 0.35 -0.75 4.52 3.74 1uv5A1 MET 101 HB2 -0.16 0.08 0.11 -0.04 2.15 2.15 1uv5A1 MET 101 HB3 -0.15 -0.05 -0.01 -0.04 2.03 1.78 1uv5A1 MET 101 HG2 -0.23 -0.02 0.08 -0.04 2.63 2.42 1uv5A1 MET 101 HG3 -0.10 -0.09 -0.09 -0.04 2.56 2.24 1uv5A1 MET 101 HE3 -0.48 0.03 -0.02 -0.04 2.10 1.58 1uv5A1 ARG 102 H -0.14 0.52 -0.32 -0.55 8.46 7.97 1uv5A1 ARG 102 HA -0.07 0.02 0.34 -0.75 4.34 3.88 1uv5A1 ARG 102 HB2 -0.08 0.07 0.07 -0.04 1.90 1.92 1uv5A1 ARG 102 HB3 -0.03 0.02 0.06 -0.04 1.80 1.80 1uv5A1 ARG 102 HG2 -0.11 -0.03 -0.01 -0.04 1.67 1.48 1uv5A1 ARG 102 HG3 -0.19 0.29 0.02 -0.04 1.67 1.75 1uv5A1 ARG 102 HD2 -0.40 -0.16 -0.09 -0.04 3.22 2.53 1uv5A1 ARG 102 HD3 -0.10 -0.07 -0.06 -0.04 3.22 2.95 1uv5A1 LYS 103 H -0.12 0.30 -0.36 -0.55 8.42 7.68 1uv5A1 LYS 103 HA -0.02 0.02 0.43 -0.75 4.32 3.99 1uv5A1 LYS 103 HB2 -0.05 -0.01 0.11 -0.04 1.87 1.88 1uv5A1 LYS 103 HB3 -0.17 0.15 0.17 -0.04 1.79 1.90 1uv5A1 LYS 103 HG2 -0.22 -0.02 -0.11 -0.04 1.46 1.06 1uv5A1 LYS 103 HG3 0.10 -0.05 0.06 -0.04 1.46 1.53 1uv5A1 LYS 103 HD2 -0.05 -0.02 -0.02 -0.04 1.69 1.56 1uv5A1 LYS 103 HD3 0.41 -0.03 -0.00 -0.04 1.68 2.02 1uv5A1 LYS 103 HE2 0.09 -0.02 -0.01 -0.04 2.99 3.01 1uv5A1 LYS 103 HE3 0.06 -0.02 0.00 -0.04 2.99 2.99 1uv5A1 LEU 104 H -0.19 0.26 -0.20 -0.55 8.37 7.69 1uv5A1 LEU 104 HA -0.14 0.08 0.52 -0.75 4.35 4.06 1uv5A1 LEU 104 HB2 -0.21 0.05 -0.01 -0.04 1.64 1.43 1uv5A1 LEU 104 HB3 -0.00 -0.13 -0.01 -0.04 1.64 1.45 1uv5A1 LEU 104 HG -0.37 0.26 -0.06 -0.04 1.64 1.43 1uv5A1 LEU 104 HD13 -0.58 -0.04 -0.13 -0.04 0.93 0.13 1uv5A1 LEU 104 HD23 -0.57 -0.00 -0.18 -0.04 0.89 0.09 1uv5A1 ASP 105 H 0.17 0.10 -0.05 -0.55 8.40 8.07 1uv5A1 ASP 105 HA -0.06 0.03 0.33 -0.75 4.63 4.18 1uv5A1 ASP 105 HB2 0.01 0.31 0.08 -0.04 2.71 3.06 1uv5A1 ASP 105 HB3 0.07 -0.04 0.03 -0.04 2.70 2.72 1uv5A1 HIS 106 H -0.12 0.40 0.13 -0.55 8.41 8.27 1uv5A1 HIS 106 HA -0.33 0.14 0.71 -0.75 4.63 4.39 1uv5A1 HIS 106 HB2 -1.78 0.12 -0.18 -0.04 3.26 1.38 1uv5A1 HIS 106 HB3 -0.61 -0.03 -0.03 -0.04 3.20 2.49 1uv5A1 HIS 106 HD2 -0.42 0.04 0.02 -0.04 6.97 6.56 1uv5A1 HIS 106 HE1 -0.12 0.10 -0.13 -0.04 7.75 7.55 1uv5A1 CYS 107 H -0.60 0.20 0.12 -0.55 8.50 7.68 1uv5A1 CYS 107 HA -0.12 0.09 0.31 -0.75 4.58 4.12 1uv5A1 CYS 107 HB2 -0.13 0.02 0.15 -0.04 2.97 2.97 1uv5A1 CYS 107 HB3 -0.22 0.00 0.13 -0.04 2.97 2.84 1uv5A1 ASN 108 H 0.53 -0.02 -0.62 -0.55 8.53 7.87 1uv5A1 ASN 108 HA 0.02 0.44 1.09 -0.75 4.76 5.55 1uv5A1 ASN 108 HB2 0.12 -0.09 0.00 -0.04 2.88 2.87 1uv5A1 ASN 108 HB3 0.00 -0.02 0.17 -0.04 2.79 2.90 1uv5A1 ASN 108 HD21 0.02 -0.04 0.06 -0.04 7.03 7.03 1uv5A1 ASN 108 HD22 0.01 0.61 0.24 -0.04 7.74 8.56 1uv5A1 ILE 109 H 0.02 0.61 -0.06 -0.55 8.25 8.27 1uv5A1 ILE 109 HA 0.06 0.11 0.99 -0.75 4.18 4.59 1uv5A1 ILE 109 HB -0.04 -0.04 0.05 -0.04 1.89 1.82 1uv5A1 ILE 109 HG12 0.05 0.10 -0.23 -0.04 1.49 1.37 1uv5A1 ILE 109 HG13 -0.08 -0.16 -0.28 -0.04 1.21 0.65 1uv5A1 ILE 109 HG23 0.01 0.06 -0.11 -0.04 0.93 0.84 1uv5A1 ILE 109 HD13 0.18 0.01 -0.07 -0.04 0.88 0.96 1uv5A1 VAL 110 H 0.06 0.60 0.08 -0.55 8.24 8.43 1uv5A1 VAL 110 HA -0.01 -0.00 0.35 -0.75 4.13 3.71 1uv5A1 VAL 110 HB 0.02 0.05 -0.07 -0.04 2.12 2.07 1uv5A1 VAL 110 HG13 0.07 0.00 -0.00 -0.04 0.97 1.00 1uv5A1 VAL 110 HG23 -0.01 -0.00 -0.10 -0.04 0.95 0.81 1uv5A1 ARG 111 H -0.03 0.06 0.17 -0.55 8.46 8.12 1uv5A1 ARG 111 HA -0.05 0.18 0.54 -0.75 4.34 4.25 1uv5A1 ARG 111 HB2 -0.05 0.06 0.08 -0.04 1.90 1.95 1uv5A1 ARG 111 HB3 -0.04 -0.11 0.13 -0.04 1.80 1.75 1uv5A1 ARG 111 HG2 -0.06 -0.07 -0.56 -0.04 1.67 0.94 1uv5A1 ARG 111 HG3 -0.06 0.09 -0.06 -0.04 1.67 1.61 1uv5A1 ARG 111 HD2 -0.06 0.05 -0.04 -0.04 3.22 3.13 1uv5A1 ARG 111 HD3 -0.05 -0.02 -0.03 -0.04 3.22 3.08 1uv5A1 LEU 112 H -0.06 0.27 0.15 -0.55 8.37 8.18 1uv5A1 LEU 112 HA -0.02 0.06 0.70 -0.75 4.35 4.33 1uv5A1 LEU 112 HB2 -0.06 -0.02 0.00 -0.04 1.64 1.53 1uv5A1 LEU 112 HB3 -0.04 0.08 0.08 -0.04 1.64 1.72 1uv5A1 LEU 112 HG 0.05 0.02 -0.33 -0.04 1.64 1.34 1uv5A1 LEU 112 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.80 1uv5A1 LEU 112 HD23 -0.02 -0.01 -0.16 -0.04 0.89 0.66 1uv5A1 ARG 113 H -0.03 0.67 0.47 -0.55 8.46 9.01 1uv5A1 ARG 113 HA -0.26 0.09 0.71 -0.75 4.34 4.12 1uv5A1 ARG 113 HB2 -0.08 0.06 0.07 -0.04 1.90 1.91 1uv5A1 ARG 113 HB3 -0.64 -0.05 -0.03 -0.04 1.80 1.04 1uv5A1 ARG 113 HG2 -0.12 -0.01 -0.11 -0.04 1.67 1.39 1uv5A1 ARG 113 HG3 -0.04 -0.01 -0.15 -0.04 1.67 1.44 1uv5A1 ARG 113 HD2 0.07 -0.00 -0.17 -0.04 3.22 3.07 1uv5A1 ARG 113 HD3 -0.04 -0.02 -0.08 -0.04 3.22 3.04 1uv5A1 TYR 114 H 0.08 0.40 0.34 -0.55 8.29 8.56 1uv5A1 TYR 114 HA 0.09 0.31 0.86 -0.75 4.56 5.06 1uv5A1 TYR 114 HB2 0.12 -0.12 -0.15 -0.04 3.06 2.87 1uv5A1 TYR 114 HB3 0.02 0.05 0.01 -0.04 2.98 3.02 1uv5A1 TYR 114 HD2 0.03 -0.00 -0.28 -0.04 7.15 6.85 1uv5A1 TYR 114 HE2 0.02 -0.01 -0.12 -0.04 6.85 6.70 1uv5A1 PHE 115 H -0.03 0.55 0.36 -0.55 8.34 8.67 1uv5A1 PHE 115 HA -0.05 0.32 0.79 -0.75 4.62 4.92 1uv5A1 PHE 115 HB2 -0.15 -0.03 0.13 -0.04 3.15 3.06 1uv5A1 PHE 115 HB3 -0.03 0.01 -0.08 -0.04 3.06 2.92 1uv5A1 PHE 115 HD2 -0.07 -0.03 -0.28 -0.04 7.28 6.86 1uv5A1 PHE 115 HE2 0.12 0.12 -0.13 -0.04 7.38 7.45 1uv5A1 PHE 115 HZ 0.09 0.01 -0.07 -0.04 7.32 7.30 1uv5A1 PHE 116 H -0.37 0.48 0.40 -0.55 8.34 8.29 1uv5A1 PHE 116 HA -0.10 0.09 0.68 -0.75 4.62 4.54 1uv5A1 PHE 116 HB2 0.00 0.12 0.19 -0.04 3.15 3.43 1uv5A1 PHE 116 HB3 -0.07 0.01 -0.03 -0.04 3.06 2.94 1uv5A1 PHE 116 HD2 0.02 0.14 -0.38 -0.04 7.28 7.01 1uv5A1 PHE 116 HE2 -0.02 -0.01 -0.26 -0.04 7.38 7.05 1uv5A1 PHE 116 HZ -0.02 -0.01 -0.23 -0.04 7.32 7.02 1uv5A1 TYR 117 H 0.41 0.15 0.24 -0.55 8.29 8.55 1uv5A1 TYR 117 HA 0.11 0.35 1.14 -0.75 4.56 5.41 1uv5A1 TYR 117 HB2 0.13 -0.04 0.12 -0.04 3.06 3.24 1uv5A1 TYR 117 HB3 0.12 0.02 0.21 -0.04 2.98 3.29 1uv5A1 TYR 117 HD2 0.11 0.03 -0.03 -0.04 7.15 7.22 1uv5A1 TYR 117 HE2 0.18 -0.01 -0.08 -0.04 6.85 6.90 1uv5A1 SER 118 H 0.30 0.43 0.42 -0.55 8.46 9.07 1uv5A1 SER 118 HA 0.23 0.09 0.50 -0.75 4.49 4.55 1uv5A1 SER 118 HB2 0.20 0.00 0.14 -0.04 3.95 4.26 1uv5A1 SER 118 HB3 0.40 0.06 -0.25 -0.04 3.93 4.10 1uv5A1 SER 119 H 0.16 0.19 0.20 -0.55 8.46 8.45 1uv5A1 SER 119 HA 0.23 0.25 1.12 -0.75 4.49 5.33 1uv5A1 SER 119 HB2 0.11 0.10 0.15 -0.04 3.95 4.27 1uv5A1 SER 119 HB3 0.11 -0.06 0.00 -0.04 3.93 3.94 1uv5A1 GLY 120 H 0.18 0.38 0.20 -0.55 8.43 8.65 1uv5A1 GLY 120 HA2 0.13 0.17 0.84 -0.51 4.01 4.65 1uv5A1 GLY 120 HA3 0.27 -0.03 0.32 -0.51 4.01 4.06 1uv5A1 GLU 121 H 0.09 0.09 0.12 -0.55 8.60 8.36 1uv5A1 GLU 121 HA 0.05 0.08 0.40 -0.75 4.29 4.07 1uv5A1 LYS 122 H 0.07 -0.01 -0.12 -0.55 8.42 7.81 1uv5A1 LYS 122 HA 0.04 0.06 0.52 -0.75 4.32 4.18 1uv5A1 LYS 123 H 0.03 0.05 0.11 -0.55 8.42 8.05 1uv5A1 LYS 123 HA 0.03 0.09 0.40 -0.75 4.32 4.09 1uv5A1 ASP 124 H 0.02 0.09 0.10 -0.55 8.40 8.07 1uv5A1 ASP 124 HA 0.01 -0.01 0.33 -0.75 4.63 4.21 1uv5A1 ASP 124 HB2 0.01 -0.01 -0.20 -0.04 2.71 2.47 1uv5A1 ASP 124 HB3 0.01 0.04 0.22 -0.04 2.70 2.93 1uv5A1 GLU 125 H 0.02 0.04 -0.26 -0.55 8.60 7.85 1uv5A1 GLU 125 HA -0.07 0.09 0.48 -0.75 4.29 4.04 1uv5A1 GLU 125 HB2 0.00 0.18 -0.18 -0.04 2.09 2.06 1uv5A1 GLU 125 HB3 0.04 0.24 -0.06 -0.04 1.99 2.17 1uv5A1 GLU 125 HG2 -0.10 -0.02 -0.14 -0.04 2.34 2.04 1uv5A1 GLU 125 HG3 -0.05 0.02 -0.01 -0.04 2.34 2.26 1uv5A1 VAL 126 H -0.06 0.23 0.13 -0.55 8.24 8.00 1uv5A1 VAL 126 HA 0.10 0.26 1.03 -0.75 4.13 4.76 1uv5A1 VAL 126 HB 0.04 0.04 0.05 -0.04 2.12 2.22 1uv5A1 VAL 126 HG13 0.22 0.03 0.01 -0.04 0.97 1.19 1uv5A1 VAL 126 HG23 0.04 -0.02 -0.03 -0.04 0.95 0.89 1uv5A1 TYR 127 H 0.28 0.66 0.40 -0.55 8.29 9.07 1uv5A1 TYR 127 HA 0.08 0.13 1.08 -0.75 4.56 5.09 1uv5A1 TYR 127 HB2 0.07 -0.05 -0.07 -0.04 3.06 2.96 1uv5A1 TYR 127 HB3 0.02 0.09 -0.11 -0.04 2.98 2.94 1uv5A1 TYR 127 HD2 0.06 0.03 -0.49 -0.04 7.15 6.71 1uv5A1 TYR 127 HE2 0.05 -0.04 -0.18 -0.04 6.85 6.64 1uv5A1 LEU 128 H 0.10 0.63 0.30 -0.55 8.37 8.86 1uv5A1 LEU 128 HA -0.43 0.16 0.84 -0.75 4.35 4.17 1uv5A1 LEU 128 HB2 0.02 -0.03 0.01 -0.04 1.64 1.59 1uv5A1 LEU 128 HB3 0.02 0.01 0.08 -0.04 1.64 1.70 1uv5A1 LEU 128 HG -0.12 0.00 -0.30 -0.04 1.64 1.19 1uv5A1 LEU 128 HD13 -0.35 0.00 -0.01 -0.04 0.93 0.53 1uv5A1 LEU 128 HD23 -0.04 -0.02 -0.05 -0.04 0.89 0.74 1uv5A1 ASN 129 H -0.49 0.50 0.31 -0.55 8.53 8.30 1uv5A1 ASN 129 HA -0.24 0.29 1.11 -0.75 4.76 5.17 1uv5A1 ASN 129 HB2 -2.21 -0.02 0.08 -0.04 2.88 0.70 1uv5A1 ASN 129 HB3 -0.86 -0.01 -0.18 -0.04 2.79 1.69 1uv5A1 ASN 129 HD21 -0.06 -0.03 -0.21 -0.04 7.03 6.69 1uv5A1 ASN 129 HD22 -0.16 0.01 -0.22 -0.04 7.74 7.32 1uv5A1 LEU 130 H -0.10 0.69 0.32 -0.55 8.37 8.73 1uv5A1 LEU 130 HA 0.01 0.22 0.97 -0.75 4.35 4.79 1uv5A1 LEU 130 HB2 -0.01 -0.08 0.18 -0.04 1.64 1.69 1uv5A1 LEU 130 HB3 -0.01 0.06 -0.01 -0.04 1.64 1.63 1uv5A1 LEU 130 HG -0.06 -0.01 -0.15 -0.04 1.64 1.37 1uv5A1 LEU 130 HD13 -0.03 -0.02 -0.12 -0.04 0.93 0.71 1uv5A1 LEU 130 HD23 -0.09 0.02 -0.12 -0.04 0.89 0.66 1uv5A1 VAL 131 H 0.11 0.82 0.32 -0.55 8.24 8.94 1uv5A1 VAL 131 HA 0.05 0.25 0.89 -0.75 4.13 4.57 1uv5A1 VAL 131 HB 0.31 -0.17 0.16 -0.04 2.12 2.37 1uv5A1 VAL 131 HG13 0.15 0.01 -0.17 -0.04 0.97 0.92 1uv5A1 VAL 131 HG23 0.25 0.01 -0.25 -0.04 0.95 0.91 1uv5A1 LEU 132 H 0.05 0.87 0.36 -0.55 8.37 9.10 1uv5A1 LEU 132 HA 0.01 0.10 1.16 -0.75 4.35 4.87 1uv5A1 LEU 132 HB2 0.04 0.03 -0.05 -0.04 1.64 1.62 1uv5A1 LEU 132 HB3 0.02 0.05 0.01 -0.04 1.64 1.67 1uv5A1 LEU 132 HG 0.02 -0.12 -0.57 -0.04 1.64 0.93 1uv5A1 LEU 132 HD13 0.03 0.01 -0.15 -0.04 0.93 0.78 1uv5A1 LEU 132 HD23 0.01 -0.01 -0.21 -0.04 0.89 0.63 1uv5A1 ASP 133 H 0.01 0.42 0.25 -0.55 8.40 8.53 1uv5A1 ASP 133 HA 0.05 0.07 0.49 -0.75 4.63 4.48 1uv5A1 ASP 133 HB2 -0.01 -0.11 0.13 -0.04 2.71 2.69 1uv5A1 ASP 133 HB3 0.00 0.08 -0.02 -0.04 2.70 2.72 1uv5A1 TYR 134 H 0.14 0.25 0.21 -0.55 8.29 8.34 1uv5A1 TYR 134 HA 0.01 0.14 0.73 -0.75 4.56 4.68 1uv5A1 TYR 134 HB2 0.02 -0.08 -0.46 -0.04 3.06 2.50 1uv5A1 TYR 134 HB3 0.01 0.12 -0.11 -0.04 2.98 2.96 1uv5A1 TYR 134 HD2 0.01 -0.02 -0.20 -0.04 7.15 6.90 1uv5A1 TYR 134 HE2 0.00 -0.04 -0.11 -0.04 6.85 6.66 1uv5A1 VAL 135 H -0.61 0.27 0.08 -0.55 8.24 7.43 1uv5A1 VAL 135 HA -0.28 0.19 0.89 -0.75 4.13 4.18 1uv5A1 VAL 135 HB -0.23 -0.01 -0.01 -0.04 2.12 1.83 1uv5A1 VAL 135 HG13 -0.16 -0.00 -0.28 -0.04 0.97 0.49 1uv5A1 VAL 135 HG23 -0.11 0.00 -0.36 -0.04 0.95 0.44 1uv5A1 PRO 136 HA -0.07 0.06 0.42 -0.51 4.44 4.34 1uv5A1 PRO 136 HB2 -0.06 -0.01 0.17 -0.04 2.28 2.34 1uv5A1 PRO 136 HB3 0.03 0.02 0.10 -0.04 2.02 2.13 1uv5A1 PRO 136 HG2 -0.02 -0.04 0.14 -0.04 2.03 2.07 1uv5A1 PRO 136 HG3 0.07 0.07 0.09 -0.04 2.03 2.21 1uv5A1 PRO 136 HD2 -0.14 0.14 0.23 -0.04 3.68 3.86 1uv5A1 PRO 136 HD3 -0.16 0.23 0.26 -0.04 3.65 3.94 1uv5A1 GLU 137 H -0.14 0.49 0.19 -0.55 8.60 8.59 1uv5A1 GLU 137 HA -0.08 0.22 0.96 -0.75 4.29 4.64 1uv5A1 GLU 137 HB2 -0.10 0.04 0.04 -0.04 2.09 2.03 1uv5A1 GLU 137 HB3 -0.10 -0.08 0.12 -0.04 1.99 1.89 1uv5A1 GLU 137 HG2 -0.06 -0.03 -0.25 -0.04 2.34 1.96 1uv5A1 GLU 137 HG3 -0.08 -0.02 -0.02 -0.04 2.34 2.17 1uv5A1 THR 138 H -0.08 0.19 0.28 -0.55 8.28 8.12 1uv5A1 THR 138 HA -0.11 0.29 0.97 -0.75 4.39 4.78 1uv5A1 THR 138 HB -0.03 0.20 0.13 -0.04 4.32 4.57 1uv5A1 THR 138 HG23 -0.03 0.04 -0.14 -0.04 1.22 1.05 1uv5A1 VAL 139 H -0.13 0.75 0.26 -0.55 8.24 8.57 1uv5A1 VAL 139 HA -0.16 0.03 0.34 -0.75 4.13 3.59 1uv5A1 VAL 139 HB -0.09 0.09 0.19 -0.04 2.12 2.28 1uv5A1 VAL 139 HG13 0.01 -0.00 -0.14 -0.04 0.97 0.80 1uv5A1 VAL 139 HG23 -0.31 0.03 -0.07 -0.04 0.95 0.56 1uv5A1 TYR 140 H 0.09 0.29 -0.40 -0.55 8.29 7.72 1uv5A1 TYR 140 HA 0.01 0.10 0.22 -0.75 4.56 4.13 1uv5A1 TYR 140 HB2 -0.02 -0.16 -0.29 -0.04 3.06 2.55 1uv5A1 TYR 140 HB3 -0.02 0.03 -0.11 -0.04 2.98 2.83 1uv5A1 TYR 140 HD2 0.03 0.02 -0.04 -0.04 7.15 7.12 1uv5A1 TYR 140 HE2 0.05 0.04 -0.03 -0.04 6.85 6.87 1uv5A1 ARG 141 H -0.04 0.19 -0.18 -0.55 8.46 7.88 1uv5A1 ARG 141 HA -0.37 0.10 0.59 -0.75 4.34 3.91 1uv5A1 ARG 141 HB2 -0.07 -0.00 0.22 -0.04 1.90 2.00 1uv5A1 ARG 141 HB3 -0.09 0.04 0.09 -0.04 1.80 1.80 1uv5A1 ARG 141 HG2 -0.09 0.04 0.04 -0.04 1.67 1.62 1uv5A1 ARG 141 HG3 -0.01 -0.10 0.06 -0.04 1.67 1.57 1uv5A1 ARG 141 HD2 -0.01 0.02 0.07 -0.04 3.22 3.26 1uv5A1 ARG 141 HD3 -0.04 -0.01 0.13 -0.04 3.22 3.26 1uv5A1 VAL 142 H -0.05 0.50 0.05 -0.55 8.24 8.19 1uv5A1 VAL 142 HA 0.07 0.02 0.31 -0.75 4.13 3.77 1uv5A1 VAL 142 HB -0.01 0.06 0.04 -0.04 2.12 2.18 1uv5A1 VAL 142 HG13 0.11 0.00 -0.06 -0.04 0.97 0.98 1uv5A1 VAL 142 HG23 -0.08 0.03 -0.02 -0.04 0.95 0.84 1uv5A1 ALA 143 H 0.02 0.41 -0.56 -0.55 8.40 7.72 1uv5A1 ALA 143 HA 0.09 0.06 0.50 -0.75 4.34 4.23 1uv5A1 ALA 143 HB3 0.09 0.01 -0.00 -0.04 1.41 1.47 1uv5A1 ARG 144 H -0.09 0.32 -0.13 -0.55 8.46 8.01 1uv5A1 ARG 144 HA -0.00 0.08 0.57 -0.75 4.34 4.23 1uv5A1 ARG 144 HB2 -0.43 0.10 0.20 -0.04 1.90 1.73 1uv5A1 ARG 144 HB3 -0.22 -0.02 0.24 -0.04 1.80 1.76 1uv5A1 ARG 144 HG2 -0.05 -0.02 -0.10 -0.04 1.67 1.46 1uv5A1 ARG 144 HG3 -0.03 0.01 0.07 -0.04 1.67 1.68 1uv5A1 ARG 144 HD2 -0.03 -0.01 -0.01 -0.04 3.22 3.13 1uv5A1 ARG 144 HD3 -0.14 -0.02 0.01 -0.04 3.22 3.03 1uv5A1 HIS 145 H 0.08 0.82 0.06 -0.55 8.41 8.83 1uv5A1 HIS 145 HA -0.04 -0.01 0.34 -0.75 4.63 4.17 1uv5A1 HIS 145 HB2 -0.04 -0.05 0.06 -0.04 3.26 3.19 1uv5A1 HIS 145 HB3 0.03 0.08 0.10 -0.04 3.20 3.37 1uv5A1 HIS 145 HD2 -0.36 0.04 -0.16 -0.04 6.97 6.44 1uv5A1 HIS 145 HE1 -0.08 -0.01 -0.03 -0.04 7.75 7.58 1uv5A1 TYR 146 H 0.34 0.39 -0.33 -0.55 8.29 8.14 1uv5A1 TYR 146 HA -0.08 -0.00 0.33 -0.75 4.56 4.05 1uv5A1 TYR 146 HB2 0.05 0.09 0.11 -0.04 3.06 3.27 1uv5A1 TYR 146 HB3 0.03 0.16 -0.23 -0.04 2.98 2.91 1uv5A1 TYR 146 HD2 0.09 0.15 -0.19 -0.04 7.15 7.16 1uv5A1 TYR 146 HE2 0.05 -0.01 -0.03 -0.04 6.85 6.82 1uv5A1 SER 147 H 0.11 0.39 -0.20 -0.55 8.46 8.21 1uv5A1 SER 147 HA 0.06 0.08 0.52 -0.75 4.49 4.40 1uv5A1 SER 147 HB2 0.07 0.10 0.26 -0.04 3.95 4.33 1uv5A1 SER 147 HB3 0.04 -0.02 0.32 -0.04 3.93 4.22 1uv5A1 ARG 148 H -0.03 0.69 -0.10 -0.55 8.46 8.47 1uv5A1 ARG 148 HA -0.03 -0.01 0.43 -0.75 4.34 3.97 1uv5A1 ARG 148 HB2 -0.12 0.17 0.17 -0.04 1.90 2.08 1uv5A1 ARG 148 HB3 -0.08 -0.07 0.01 -0.04 1.80 1.61 1uv5A1 ARG 148 HG2 -0.02 -0.05 0.04 -0.04 1.67 1.60 1uv5A1 ARG 148 HG3 -0.02 0.06 0.04 -0.04 1.67 1.71 1uv5A1 ARG 148 HD2 -0.03 -0.02 -0.12 -0.04 3.22 3.02 1uv5A1 ARG 148 HD3 -0.03 -0.03 -0.02 -0.04 3.22 3.11 1uv5A1 ALA 149 H -0.16 0.42 -0.23 -0.55 8.40 7.87 1uv5A1 ALA 149 HA -0.11 -0.01 0.41 -0.75 4.34 3.88 1uv5A1 ALA 149 HB3 -0.24 -0.01 0.08 -0.04 1.41 1.20 1uv5A1 LYS 150 H -0.02 0.42 -0.94 -0.55 8.42 7.32 1uv5A1 LYS 150 HA 0.01 0.08 0.35 -0.75 4.32 4.01 1uv5A1 LYS 150 HB2 -0.00 0.06 0.20 -0.04 1.87 2.09 1uv5A1 LYS 150 HB3 0.01 -0.09 0.17 -0.04 1.79 1.83 1uv5A1 LYS 150 HG2 -0.02 0.16 -0.27 -0.04 1.46 1.29 1uv5A1 LYS 150 HG3 -0.01 -0.10 -0.10 -0.04 1.46 1.21 1uv5A1 LYS 150 HD2 0.00 -0.06 0.05 -0.04 1.69 1.64 1uv5A1 LYS 150 HD3 -0.00 0.10 0.07 -0.04 1.68 1.80 1uv5A1 LYS 150 HE2 -0.01 0.03 0.04 -0.04 2.99 3.01 1uv5A1 LYS 150 HE3 -0.01 -0.06 0.01 -0.04 2.99 2.89 1uv5A1 GLN 151 H 0.06 0.61 -0.01 -0.55 8.47 8.58 1uv5A1 GLN 151 HA 0.07 0.09 0.64 -0.75 4.36 4.41 1uv5A1 GLN 151 HB2 0.16 -0.04 -0.16 -0.04 2.15 2.07 1uv5A1 GLN 151 HB3 0.16 -0.09 0.06 -0.04 2.02 2.11 1uv5A1 GLN 151 HG2 0.05 -0.09 0.01 -0.04 2.40 2.32 1uv5A1 GLN 151 HG3 0.02 0.30 -0.85 -0.04 2.39 1.83 1uv5A1 GLN 151 HE21 -0.08 -0.17 0.01 -0.04 6.97 6.69 1uv5A1 GLN 151 HE22 -0.04 0.72 0.06 -0.04 7.69 8.39 1uv5A1 THR 152 H 0.11 0.12 0.10 -0.55 8.28 8.06 1uv5A1 THR 152 HA 0.07 0.22 0.86 -0.75 4.39 4.78 1uv5A1 THR 152 HB 0.03 0.11 0.01 -0.04 4.32 4.43 1uv5A1 THR 152 HG23 0.05 0.01 -0.19 -0.04 1.22 1.05 1uv5A1 LEU 153 H -0.10 0.20 0.11 -0.55 8.37 8.04 1uv5A1 LEU 153 HA -0.92 0.07 0.42 -0.75 4.35 3.17 1uv5A1 LEU 153 HB2 -0.30 0.04 0.10 -0.04 1.64 1.44 1uv5A1 LEU 153 HB3 -0.11 0.05 0.08 -0.04 1.64 1.61 1uv5A1 LEU 153 HG -0.09 0.00 -0.15 -0.04 1.64 1.36 1uv5A1 LEU 153 HD13 -0.63 0.01 -0.01 -0.04 0.93 0.26 1uv5A1 LEU 153 HD23 0.04 -0.01 -0.16 -0.04 0.89 0.71 1uv5A1 PRO 154 HA 0.01 0.08 0.49 -0.51 4.44 4.51 1uv5A1 PRO 154 HB2 -0.03 -0.15 0.19 -0.04 2.28 2.25 1uv5A1 PRO 154 HB3 -0.02 0.06 0.14 -0.04 2.02 2.15 1uv5A1 PRO 154 HG2 0.39 0.04 0.12 -0.04 2.03 2.54 1uv5A1 PRO 154 HG3 0.19 0.12 0.14 -0.04 2.03 2.44 1uv5A1 PRO 154 HD2 -0.05 0.03 0.22 -0.04 3.68 3.84 1uv5A1 PRO 154 HD3 -0.05 0.28 0.24 -0.04 3.65 4.07 1uv5A1 VAL 155 H -0.02 0.21 0.21 -0.55 8.24 8.10 1uv5A1 VAL 155 HA 0.01 0.08 0.33 -0.75 4.13 3.80 1uv5A1 VAL 155 HB -0.04 -0.01 0.12 -0.04 2.12 2.16 1uv5A1 VAL 155 HG13 0.01 0.00 -0.00 -0.04 0.97 0.93 1uv5A1 VAL 155 HG23 0.02 0.04 0.14 -0.04 0.95 1.09 1uv5A1 ILE 156 H -0.17 0.07 -0.50 -0.55 8.25 7.10 1uv5A1 ILE 156 HA -0.19 0.08 0.45 -0.75 4.18 3.77 1uv5A1 ILE 156 HB -0.21 0.01 0.05 -0.04 1.89 1.70 1uv5A1 ILE 156 HG12 -0.25 0.10 -0.04 -0.04 1.49 1.26 1uv5A1 ILE 156 HG13 -0.33 0.00 -0.17 -0.04 1.21 0.67 1uv5A1 ILE 156 HG23 -0.56 -0.00 -0.00 -0.04 0.93 0.33 1uv5A1 ILE 156 HD13 -0.15 0.00 -0.00 -0.04 0.88 0.69 1uv5A1 TYR 157 H -0.24 0.49 -0.02 -0.55 8.29 7.97 1uv5A1 TYR 157 HA -0.48 0.09 0.46 -0.75 4.56 3.87 1uv5A1 TYR 157 HB2 -0.28 0.14 0.06 -0.04 3.06 2.94 1uv5A1 TYR 157 HB3 -0.73 -0.04 -0.06 -0.04 2.98 2.12 1uv5A1 TYR 157 HD2 -0.22 0.02 0.05 -0.04 7.15 6.96 1uv5A1 TYR 157 HE2 0.03 0.04 0.02 -0.04 6.85 6.90 1uv5A1 VAL 158 H -0.04 0.31 -0.30 -0.55 8.24 7.66 1uv5A1 VAL 158 HA 0.07 -0.00 0.29 -0.75 4.13 3.73 1uv5A1 VAL 158 HB 0.13 0.11 0.10 -0.04 2.12 2.42 1uv5A1 VAL 158 HG13 0.25 -0.01 -0.13 -0.04 0.97 1.04 1uv5A1 VAL 158 HG23 0.04 0.02 -0.15 -0.04 0.95 0.81 1uv5A1 LYS 159 H -0.03 0.56 -0.19 -0.55 8.42 8.19 1uv5A1 LYS 159 HA 0.46 -0.01 0.26 -0.75 4.32 4.28 1uv5A1 LYS 159 HB2 -0.08 0.07 0.11 -0.04 1.87 1.92 1uv5A1 LYS 159 HB3 0.06 -0.02 0.03 -0.04 1.79 1.82 1uv5A1 LYS 159 HG2 -0.86 -0.09 0.06 -0.04 1.46 0.53 1uv5A1 LYS 159 HG3 -0.26 0.23 0.16 -0.04 1.46 1.55 1uv5A1 LYS 159 HD2 -0.26 -0.12 0.05 -0.04 1.69 1.32 1uv5A1 LYS 159 HD3 -0.74 0.36 0.18 -0.04 1.68 1.43 1uv5A1 LYS 159 HE2 -0.62 -0.06 0.06 -0.04 2.99 2.33 1uv5A1 LYS 159 HE3 -0.26 -0.07 -0.04 -0.04 2.99 2.58 1uv5A1 LEU 160 H -0.07 0.55 -0.12 -0.55 8.37 8.17 1uv5A1 LEU 160 HA -0.03 0.03 0.37 -0.75 4.35 3.97 1uv5A1 LEU 160 HB2 -0.16 0.01 0.20 -0.04 1.64 1.65 1uv5A1 LEU 160 HB3 0.03 0.05 -0.02 -0.04 1.64 1.66 1uv5A1 LEU 160 HG -0.11 -0.01 0.05 -0.04 1.64 1.53 1uv5A1 LEU 160 HD13 -0.07 -0.02 -0.06 -0.04 0.93 0.74 1uv5A1 LEU 160 HD23 -0.10 0.01 -0.00 -0.04 0.89 0.76 1uv5A1 TYR 161 H -0.10 0.83 -0.08 -0.55 8.29 8.39 1uv5A1 TYR 161 HA 0.01 0.03 0.45 -0.75 4.56 4.30 1uv5A1 TYR 161 HB2 0.05 0.05 0.07 -0.04 3.06 3.18 1uv5A1 TYR 161 HB3 -0.01 -0.11 -0.08 -0.04 2.98 2.74 1uv5A1 TYR 161 HD2 0.01 0.01 -0.18 -0.04 7.15 6.95 1uv5A1 TYR 161 HE2 -0.06 -0.01 -0.15 -0.04 6.85 6.59 1uv5A1 MET 162 H 0.24 0.62 -0.03 -0.55 8.47 8.76 1uv5A1 MET 162 HA -0.05 -0.06 0.36 -0.75 4.52 4.01 1uv5A1 MET 162 HB2 0.60 0.17 0.07 -0.04 2.15 2.95 1uv5A1 MET 162 HB3 0.42 -0.06 -0.04 -0.04 2.03 2.31 1uv5A1 MET 162 HG2 0.22 0.12 0.06 -0.04 2.63 2.99 1uv5A1 MET 162 HG3 0.22 -0.03 -0.02 -0.04 2.56 2.69 1uv5A1 MET 162 HE3 -0.22 0.05 0.00 -0.04 2.10 1.89 1uv5A1 TYR 163 H 0.10 0.76 -0.18 -0.55 8.29 8.41 1uv5A1 TYR 163 HA -0.51 -0.02 0.35 -0.75 4.56 3.62 1uv5A1 TYR 163 HB2 -0.99 0.02 0.10 -0.04 3.06 2.15 1uv5A1 TYR 163 HB3 -0.22 0.10 0.15 -0.04 2.98 2.97 1uv5A1 TYR 163 HD2 -0.31 0.02 -0.15 -0.04 7.15 6.67 1uv5A1 TYR 163 HE2 0.06 0.07 0.01 -0.04 6.85 6.95 1uv5A1 GLN 164 H 0.14 0.54 -0.15 -0.55 8.47 8.45 1uv5A1 GLN 164 HA 0.09 0.00 0.41 -0.75 4.36 4.11 1uv5A1 GLN 164 HB2 0.05 0.04 0.15 -0.04 2.15 2.36 1uv5A1 GLN 164 HB3 0.04 -0.04 0.13 -0.04 2.02 2.11 1uv5A1 GLN 164 HG2 0.11 -0.01 0.07 -0.04 2.40 2.53 1uv5A1 GLN 164 HG3 0.12 0.51 0.24 -0.04 2.39 3.22 1uv5A1 GLN 164 HE21 0.12 0.62 0.30 -0.04 6.97 7.96 1uv5A1 GLN 164 HE22 0.14 0.09 -0.13 -0.04 7.69 7.75 1uv5A1 LEU 165 H -0.08 0.58 -0.21 -0.55 8.37 8.12 1uv5A1 LEU 165 HA -0.14 -0.02 0.38 -0.75 4.35 3.82 1uv5A1 LEU 165 HB2 -0.19 -0.02 0.02 -0.04 1.64 1.42 1uv5A1 LEU 165 HB3 -0.37 0.17 0.14 -0.04 1.64 1.54 1uv5A1 LEU 165 HG -0.45 0.01 -0.34 -0.04 1.64 0.81 1uv5A1 LEU 165 HD13 -0.22 -0.03 -0.01 -0.04 0.93 0.63 1uv5A1 LEU 165 HD23 -0.31 -0.01 -0.07 -0.04 0.89 0.46 1uv5A1 PHE 166 H -0.27 0.67 -0.12 -0.55 8.34 8.06 1uv5A1 PHE 166 HA -0.08 -0.06 0.40 -0.75 4.62 4.13 1uv5A1 PHE 166 HB2 -0.23 0.19 0.12 -0.04 3.15 3.19 1uv5A1 PHE 166 HB3 -0.09 0.03 0.01 -0.04 3.06 2.97 1uv5A1 PHE 166 HD2 -0.01 -0.02 -0.11 -0.04 7.28 7.09 1uv5A1 PHE 166 HE2 0.16 -0.01 -0.12 -0.04 7.38 7.38 1uv5A1 PHE 166 HZ 0.02 0.02 -0.18 -0.04 7.32 7.13 1uv5A1 ARG 167 H -0.10 0.72 -0.08 -0.55 8.46 8.45 1uv5A1 ARG 167 HA 0.04 -0.02 0.30 -0.75 4.34 3.91 1uv5A1 ARG 167 HB2 -0.14 0.13 0.09 -0.04 1.90 1.94 1uv5A1 ARG 167 HB3 -0.01 0.10 0.11 -0.04 1.80 1.96 1uv5A1 ARG 167 HG2 0.09 -0.10 -0.20 -0.04 1.67 1.42 1uv5A1 ARG 167 HG3 0.21 -0.04 0.01 -0.04 1.67 1.81 1uv5A1 ARG 167 HD2 -0.15 0.14 -0.08 -0.04 3.22 3.09 1uv5A1 ARG 167 HD3 0.05 0.02 -0.09 -0.04 3.22 3.17 1uv5A1 SER 168 H -0.09 0.62 -0.29 -0.55 8.46 8.16 1uv5A1 SER 168 HA -0.38 -0.03 0.34 -0.75 4.49 3.66 1uv5A1 SER 168 HB2 -0.06 -0.11 -0.03 -0.04 3.95 3.71 1uv5A1 SER 168 HB3 -0.10 0.10 0.09 -0.04 3.93 3.98 1uv5A1 LEU 169 H -0.08 0.53 -0.21 -0.55 8.37 8.07 1uv5A1 LEU 169 HA -0.18 -0.05 0.43 -0.75 4.35 3.79 1uv5A1 LEU 169 HB2 -0.08 0.37 0.24 -0.04 1.64 2.13 1uv5A1 LEU 169 HB3 -0.07 -0.02 0.08 -0.04 1.64 1.60 1uv5A1 LEU 169 HG -0.12 -0.08 -0.02 -0.04 1.64 1.38 1uv5A1 LEU 169 HD13 -0.11 -0.03 0.02 -0.04 0.93 0.78 1uv5A1 LEU 169 HD23 -0.04 0.02 -0.13 -0.04 0.89 0.70 1uv5A1 ALA 170 H -0.02 0.72 -0.16 -0.55 8.40 8.40 1uv5A1 ALA 170 HA 0.01 -0.05 0.39 -0.75 4.34 3.93 1uv5A1 ALA 170 HB3 0.08 0.03 0.06 -0.04 1.41 1.53 1uv5A1 TYR 171 H 0.08 0.43 -0.25 -0.55 8.29 8.01 1uv5A1 TYR 171 HA 0.13 0.01 0.35 -0.75 4.56 4.30 1uv5A1 TYR 171 HB2 -0.26 0.02 0.12 -0.04 3.06 2.90 1uv5A1 TYR 171 HB3 -0.22 0.15 0.22 -0.04 2.98 3.09 1uv5A1 TYR 171 HD2 0.10 -0.01 -0.06 -0.04 7.15 7.14 1uv5A1 TYR 171 HE2 0.04 -0.04 -0.04 -0.04 6.85 6.77 1uv5A1 ILE 172 H 0.12 0.65 0.05 -0.55 8.25 8.53 1uv5A1 ILE 172 HA -0.12 0.03 0.36 -0.75 4.18 3.69 1uv5A1 ILE 172 HB 0.17 -0.06 -0.00 -0.04 1.89 1.95 1uv5A1 ILE 172 HG12 0.05 0.13 0.12 -0.04 1.49 1.75 1uv5A1 ILE 172 HG13 0.16 0.16 -0.02 -0.04 1.21 1.47 1uv5A1 ILE 172 HG23 0.24 0.02 -0.02 -0.04 0.93 1.12 1uv5A1 ILE 172 HD13 0.26 -0.06 -0.11 -0.04 0.88 0.94 1uv5A1 HIS 173 H 0.08 0.54 -0.31 -0.55 8.41 8.17 1uv5A1 HIS 173 HA 0.09 0.10 0.51 -0.75 4.63 4.57 1uv5A1 HIS 173 HB2 0.08 0.13 0.18 -0.04 3.26 3.61 1uv5A1 HIS 173 HB3 0.07 -0.10 0.04 -0.04 3.20 3.16 1uv5A1 HIS 173 HD2 0.10 0.32 0.07 -0.04 6.97 7.41 1uv5A1 HIS 173 HE1 0.11 -0.04 -0.04 -0.04 7.75 7.74 1uv5A1 SER 174 H 0.14 0.61 -0.11 -0.55 8.46 8.55 1uv5A1 SER 174 HA 0.03 -0.00 0.50 -0.75 4.49 4.26 1uv5A1 SER 174 HB2 -0.04 -0.08 0.15 -0.04 3.95 3.94 1uv5A1 SER 174 HB3 0.05 0.16 0.19 -0.04 3.93 4.29 1uv5A1 PHE 175 H 0.28 0.39 -0.64 -0.55 8.34 7.81 1uv5A1 PHE 175 HA -0.06 0.13 0.77 -0.75 4.62 4.71 1uv5A1 PHE 175 HB2 -0.08 0.11 0.08 -0.04 3.15 3.21 1uv5A1 PHE 175 HB3 -0.06 -0.06 0.12 -0.04 3.06 3.03 1uv5A1 PHE 175 HD2 -0.23 0.11 -0.03 -0.04 7.28 7.09 1uv5A1 PHE 175 HE2 -0.61 -0.02 -0.06 -0.04 7.38 6.66 1uv5A1 PHE 175 HZ -0.05 -0.02 -0.03 -0.04 7.32 7.18 1uv5A1 GLY 176 H 0.10 0.60 -0.33 -0.55 8.43 8.26 1uv5A1 GLY 176 HA2 0.04 0.03 0.39 -0.51 4.01 3.97 1uv5A1 GLY 176 HA3 0.04 0.04 0.48 -0.51 4.01 4.06 1uv5A1 ILE 177 H 0.16 0.44 -0.13 -0.55 8.25 8.18 1uv5A1 ILE 177 HA 0.08 0.14 0.69 -0.75 4.18 4.33 1uv5A1 ILE 177 HB 0.12 0.06 0.01 -0.04 1.89 2.04 1uv5A1 ILE 177 HG12 0.05 -0.06 -0.21 -0.04 1.49 1.23 1uv5A1 ILE 177 HG13 0.11 0.15 -0.29 -0.04 1.21 1.14 1uv5A1 ILE 177 HG23 0.14 -0.06 -0.38 -0.04 0.93 0.60 1uv5A1 ILE 177 HD13 -0.09 -0.01 -0.08 -0.04 0.88 0.65 1uv5A1 CYS 178 H 0.08 0.75 0.31 -0.55 8.50 9.10 1uv5A1 CYS 178 HA 0.20 0.10 0.82 -0.75 4.58 4.94 1uv5A1 CYS 178 HB2 0.02 -0.02 -0.00 -0.04 2.97 2.93 1uv5A1 CYS 178 HB3 0.08 0.15 0.12 -0.04 2.97 3.29 1uv5A1 HIS 179 H 0.28 0.15 0.10 -0.55 8.41 8.40 1uv5A1 HIS 179 HA -0.05 0.11 0.34 -0.75 4.63 4.27 1uv5A1 HIS 179 HB2 -0.07 0.10 0.05 -0.04 3.26 3.31 1uv5A1 HIS 179 HB3 -0.05 -0.10 0.08 -0.04 3.20 3.09 1uv5A1 HIS 179 HD2 -1.09 0.00 -0.13 -0.04 6.97 5.71 1uv5A1 HIS 179 HE1 -0.25 0.13 -0.03 -0.04 7.75 7.56 1uv5A1 ARG 180 H 0.15 0.04 -0.13 -0.55 8.46 7.97 1uv5A1 ARG 180 HA 0.06 0.01 0.16 -0.75 4.34 3.82 1uv5A1 ARG 180 HB2 -0.04 0.26 -0.29 -0.04 1.90 1.79 1uv5A1 ARG 180 HB3 0.01 -0.06 -0.00 -0.04 1.80 1.71 1uv5A1 ARG 180 HG2 0.11 -0.15 -0.26 -0.04 1.67 1.33 1uv5A1 ARG 180 HG3 0.05 0.21 -0.46 -0.04 1.67 1.43 1uv5A1 ARG 180 HD2 0.12 -0.03 -0.10 -0.04 3.22 3.17 1uv5A1 ARG 180 HD3 0.22 -0.01 -0.13 -0.04 3.22 3.25 1uv5A1 ASP 181 H 0.46 0.03 -0.65 -0.55 8.40 7.70 1uv5A1 ASP 181 HA 0.06 0.06 0.58 -0.75 4.63 4.57 1uv5A1 ASP 181 HB2 -0.03 0.05 -0.33 -0.04 2.71 2.36 1uv5A1 ASP 181 HB3 0.06 0.11 0.03 -0.04 2.70 2.86 1uv5A1 ILE 182 H 0.02 0.07 -0.08 -0.55 8.25 7.72 1uv5A1 ILE 182 HA -0.37 0.13 0.56 -0.75 4.18 3.75 1uv5A1 ILE 182 HB -0.05 0.01 0.13 -0.04 1.89 1.94 1uv5A1 ILE 182 HG12 -0.13 -0.22 0.04 -0.04 1.49 1.14 1uv5A1 ILE 182 HG13 -0.12 0.08 0.05 -0.04 1.21 1.18 1uv5A1 ILE 182 HG23 -0.19 0.02 -0.22 -0.04 0.93 0.51 1uv5A1 ILE 182 HD13 -0.68 0.04 -0.05 -0.04 0.88 0.15 1uv5A1 LYS 183 H -0.26 0.32 0.23 -0.55 8.42 8.16 1uv5A1 LYS 183 HA -0.86 0.20 0.40 -0.75 4.32 3.31 1uv5A1 LYS 183 HB2 -0.49 -0.00 0.05 -0.04 1.87 1.38 1uv5A1 LYS 183 HB3 -0.42 0.09 -0.13 -0.04 1.79 1.29 1uv5A1 LYS 183 HG2 -0.15 0.22 -0.08 -0.04 1.46 1.41 1uv5A1 LYS 183 HG3 -0.18 -0.25 -0.15 -0.04 1.46 0.84 1uv5A1 LYS 183 HD2 -0.11 -0.00 -0.05 -0.04 1.69 1.48 1uv5A1 LYS 183 HD3 -0.06 -0.03 -0.08 -0.04 1.68 1.46 1uv5A1 LYS 183 HE2 -0.03 0.05 -0.03 -0.04 2.99 2.94 1uv5A1 LYS 183 HE3 -0.07 -0.03 -0.07 -0.04 2.99 2.77 1uv5A1 PRO 184 HA -0.10 0.10 0.34 -0.51 4.44 4.27 1uv5A1 PRO 184 HB2 0.10 0.00 -0.03 -0.04 2.28 2.31 1uv5A1 PRO 184 HB3 0.06 0.07 -0.13 -0.04 2.02 1.98 1uv5A1 PRO 184 HG2 0.12 0.12 -0.02 -0.04 2.03 2.22 1uv5A1 PRO 184 HG3 -0.03 0.10 -0.01 -0.04 2.03 2.05 1uv5A1 PRO 184 HD2 -0.24 0.07 0.10 -0.04 3.68 3.58 1uv5A1 PRO 184 HD3 -0.84 0.19 0.13 -0.04 3.65 3.09 1uv5A1 GLN 185 H -0.16 0.15 -0.24 -0.55 8.47 7.67 1uv5A1 GLN 185 HA 0.04 -0.00 0.45 -0.75 4.36 4.09 1uv5A1 GLN 185 HB2 -0.10 0.04 -0.03 -0.04 2.15 2.01 1uv5A1 GLN 185 HB3 -0.03 0.06 0.10 -0.04 2.02 2.10 1uv5A1 GLN 185 HG2 -0.29 0.06 0.01 -0.04 2.40 2.13 1uv5A1 GLN 185 HG3 -0.44 -0.03 -0.02 -0.04 2.39 1.86 1uv5A1 GLN 185 HE21 -0.16 0.00 -0.03 -0.04 6.97 6.75 1uv5A1 GLN 185 HE22 -0.20 0.04 -0.02 -0.04 7.69 7.46 1uv5A1 ASN 186 H -0.13 0.47 -0.30 -0.55 8.53 8.01 1uv5A1 ASN 186 HA -0.06 0.18 0.82 -0.75 4.76 4.94 1uv5A1 ASN 186 HB2 -0.16 -0.04 0.19 -0.04 2.88 2.83 1uv5A1 ASN 186 HB3 -0.09 0.15 0.27 -0.04 2.79 3.07 1uv5A1 ASN 186 HD21 -0.01 -0.14 0.06 -0.04 7.03 6.90 1uv5A1 ASN 186 HD22 0.03 0.38 0.20 -0.04 7.74 8.31 1uv5A1 LEU 187 H -0.10 0.34 -0.37 -0.55 8.37 7.69 1uv5A1 LEU 187 HA -0.13 0.22 0.91 -0.75 4.35 4.60 1uv5A1 LEU 187 HB2 -0.13 -0.11 0.20 -0.04 1.64 1.56 1uv5A1 LEU 187 HB3 -0.15 0.06 -0.03 -0.04 1.64 1.48 1uv5A1 LEU 187 HG -0.17 0.06 -0.22 -0.04 1.64 1.27 1uv5A1 LEU 187 HD13 -0.14 -0.02 -0.16 -0.04 0.93 0.56 1uv5A1 LEU 187 HD23 -0.20 0.04 -0.13 -0.04 0.89 0.57 1uv5A1 LEU 188 H -0.09 0.72 0.19 -0.55 8.37 8.64 1uv5A1 LEU 188 HA -0.12 0.13 0.88 -0.75 4.35 4.48 1uv5A1 LEU 188 HB2 -0.10 -0.05 0.03 -0.04 1.64 1.48 1uv5A1 LEU 188 HB3 -0.14 0.07 0.05 -0.04 1.64 1.58 1uv5A1 LEU 188 HG -0.06 0.04 -0.07 -0.04 1.64 1.50 1uv5A1 LEU 188 HD13 -0.07 -0.03 -0.10 -0.04 0.93 0.69 1uv5A1 LEU 188 HD23 -0.08 0.00 -0.10 -0.04 0.89 0.67 1uv5A1 LEU 189 H -0.16 0.78 0.13 -0.55 8.37 8.58 1uv5A1 LEU 189 HA -0.18 0.43 0.91 -0.75 4.35 4.76 1uv5A1 LEU 189 HB2 -0.21 -0.15 -0.32 -0.04 1.64 0.92 1uv5A1 LEU 189 HB3 -0.23 -0.01 -0.36 -0.04 1.64 1.00 1uv5A1 LEU 189 HG -0.42 -0.06 -0.40 -0.04 1.64 0.71 1uv5A1 LEU 189 HD13 -0.65 -0.01 -0.26 -0.04 0.93 -0.03 1uv5A1 LEU 189 HD23 -0.76 0.06 -0.22 -0.04 0.89 -0.07 1uv5A1 ASP 190 H -0.07 0.51 0.06 -0.55 8.40 8.36 1uv5A1 ASP 190 HA -0.07 0.18 0.94 -0.75 4.63 4.92 1uv5A1 ASP 190 HB2 -0.05 0.13 0.06 -0.04 2.71 2.81 1uv5A1 ASP 190 HB3 -0.02 -0.16 0.28 -0.04 2.70 2.76 1uv5A1 PRO 191 HA -0.02 0.07 0.26 -0.51 4.44 4.24 1uv5A1 PRO 191 HB2 -0.03 0.02 0.02 -0.04 2.28 2.25 1uv5A1 PRO 191 HB3 -0.05 0.07 0.03 -0.04 2.02 2.03 1uv5A1 PRO 191 HG2 -0.07 0.07 0.00 -0.04 2.03 1.99 1uv5A1 PRO 191 HG3 -0.08 0.02 -0.03 -0.04 2.03 1.89 1uv5A1 PRO 191 HD2 -0.05 0.10 0.15 -0.04 3.68 3.85 1uv5A1 PRO 191 HD3 -0.08 0.34 -0.03 -0.04 3.65 3.83 1uv5A1 ASP 192 H -0.00 0.00 -0.38 -0.55 8.40 7.47 1uv5A1 ASP 192 HA 0.03 0.16 0.62 -0.75 4.63 4.69 1uv5A1 ASP 192 HB2 0.01 -0.08 0.12 -0.04 2.71 2.72 1uv5A1 ASP 192 HB3 0.02 0.06 0.02 -0.04 2.70 2.76 1uv5A1 THR 193 H 0.01 0.01 0.08 -0.55 8.28 7.83 1uv5A1 THR 193 HA 0.02 0.18 0.50 -0.75 4.39 4.34 1uv5A1 THR 193 HB -0.01 0.06 0.10 -0.04 4.32 4.44 1uv5A1 THR 193 HG23 -0.00 -0.01 0.07 -0.04 1.22 1.23 1uv5A1 ALA 194 H 0.05 0.45 -0.28 -0.55 8.40 8.08 1uv5A1 ALA 194 HA 0.19 -0.04 0.07 -0.75 4.34 3.81 1uv5A1 ALA 194 HB3 0.15 0.08 0.03 -0.04 1.41 1.63 1uv5A1 VAL 195 H 0.02 -0.02 -0.17 -0.55 8.24 7.52 1uv5A1 VAL 195 HA 0.02 0.21 0.63 -0.75 4.13 4.23 1uv5A1 VAL 195 HB -0.02 -0.14 0.05 -0.04 2.12 1.97 1uv5A1 VAL 195 HG13 -0.03 0.01 -0.15 -0.04 0.97 0.76 1uv5A1 VAL 195 HG23 -0.02 0.03 -0.08 -0.04 0.95 0.84 1uv5A1 LEU 196 H 0.01 0.22 0.19 -0.55 8.37 8.24 1uv5A1 LEU 196 HA -0.10 0.37 1.10 -0.75 4.35 4.96 1uv5A1 LEU 196 HB2 -0.06 -0.03 -0.09 -0.04 1.64 1.42 1uv5A1 LEU 196 HB3 0.01 0.00 0.09 -0.04 1.64 1.69 1uv5A1 LEU 196 HG -0.13 0.07 -0.06 -0.04 1.64 1.47 1uv5A1 LEU 196 HD13 -0.14 -0.00 -0.12 -0.04 0.93 0.63 1uv5A1 LEU 196 HD23 -0.07 -0.01 -0.40 -0.04 0.89 0.37 1uv5A1 LYS 197 H -0.09 0.67 0.21 -0.55 8.42 8.66 1uv5A1 LYS 197 HA -0.02 0.32 0.67 -0.75 4.32 4.53 1uv5A1 LYS 197 HB2 -0.06 -0.06 -0.12 -0.04 1.87 1.59 1uv5A1 LYS 197 HB3 -0.02 -0.07 -0.30 -0.04 1.79 1.36 1uv5A1 LYS 197 HG2 -0.02 0.06 -0.38 -0.04 1.46 1.08 1uv5A1 LYS 197 HG3 -0.04 0.03 -0.69 -0.04 1.46 0.72 1uv5A1 LYS 197 HD2 -0.05 -0.06 -0.26 -0.04 1.69 1.28 1uv5A1 LYS 197 HD3 -0.03 -0.09 -0.26 -0.04 1.68 1.26 1uv5A1 LYS 197 HE2 -0.04 -0.02 -0.18 -0.04 2.99 2.72 1uv5A1 LYS 197 HE3 -0.04 -0.06 -0.12 -0.04 2.99 2.73 1uv5A1 LEU 198 H -0.00 0.88 0.40 -0.55 8.37 9.10 1uv5A1 LEU 198 HA -0.08 0.13 0.64 -0.75 4.35 4.28 1uv5A1 LEU 198 HB2 -0.05 0.04 0.15 -0.04 1.64 1.73 1uv5A1 LEU 198 HB3 0.11 -0.04 0.18 -0.04 1.64 1.85 1uv5A1 LEU 198 HG -0.16 0.07 -0.08 -0.04 1.64 1.43 1uv5A1 LEU 198 HD13 -0.39 0.01 0.04 -0.04 0.93 0.55 1uv5A1 LEU 198 HD23 0.04 -0.03 -0.09 -0.04 0.89 0.78 1uv5A1 CYS 199 H -0.05 0.54 0.38 -0.55 8.50 8.82 1uv5A1 CYS 199 HA 0.27 0.13 0.70 -0.75 4.58 4.92 1uv5A1 CYS 199 HB2 0.06 -0.10 0.10 -0.04 2.97 2.99 1uv5A1 CYS 199 HB3 0.02 0.06 -0.30 -0.04 2.97 2.72 1uv5A1 ASP 200 H 0.10 0.13 0.08 -0.55 8.40 8.16 1uv5A1 ASP 200 HA 0.01 -0.01 0.38 -0.75 4.63 4.25 1uv5A1 ASP 200 HB2 -0.01 0.04 -0.03 -0.04 2.71 2.67 1uv5A1 ASP 200 HB3 -0.03 0.21 0.23 -0.04 2.70 3.06 1uv5A1 PHE 201 H 0.19 0.16 -0.00 -0.55 8.34 8.14 1uv5A1 PHE 201 HA -0.43 0.22 0.72 -0.75 4.62 4.38 1uv5A1 PHE 201 HB2 -0.13 0.01 0.06 -0.04 3.15 3.06 1uv5A1 PHE 201 HB3 -0.17 0.04 0.12 -0.04 3.06 3.01 1uv5A1 PHE 201 HD2 -0.08 -0.08 -0.17 -0.04 7.28 6.92 1uv5A1 PHE 201 HE2 0.04 0.06 -0.23 -0.04 7.38 7.20 1uv5A1 PHE 201 HZ 0.07 0.01 -0.16 -0.04 7.32 7.20 1uv5A1 GLY 202 H -0.27 0.11 -0.57 -0.55 8.43 7.15 1uv5A1 GLY 202 HA2 -0.53 0.02 0.30 -0.51 4.01 3.29 1uv5A1 GLY 202 HA3 -0.75 0.01 0.22 -0.51 4.01 2.98 1uv5A1 SER 203 H -0.44 0.08 -0.22 -0.55 8.46 7.34 1uv5A1 SER 203 HA -0.28 0.17 0.72 -0.75 4.49 4.35 1uv5A1 SER 203 HB2 -0.15 0.10 -0.13 -0.04 3.95 3.73 1uv5A1 SER 203 HB3 -0.04 -0.00 0.03 -0.04 3.93 3.88 1uv5A1 ALA 204 H -0.32 -0.11 -0.38 -0.55 8.40 7.04 1uv5A1 ALA 204 HA -0.10 0.27 0.35 -0.75 4.34 4.11 1uv5A1 ALA 204 HB3 -0.03 -0.02 -0.01 -0.04 1.41 1.31 1uv5A1 LYS 205 H 0.03 0.44 0.23 -0.55 8.42 8.56 1uv5A1 LYS 205 HA 0.00 0.05 0.53 -0.75 4.32 4.15 1uv5A1 LYS 205 HB2 -0.00 0.15 -0.12 -0.04 1.87 1.85 1uv5A1 LYS 205 HB3 0.02 -0.02 -0.13 -0.04 1.79 1.61 1uv5A1 LYS 205 HG2 0.00 -0.02 -0.68 -0.04 1.46 0.72 1uv5A1 LYS 205 HG3 0.00 -0.07 0.00 -0.04 1.46 1.36 1uv5A1 LYS 205 HD2 -0.00 -0.02 -0.05 -0.04 1.69 1.58 1uv5A1 LYS 205 HD3 -0.01 -0.03 -0.13 -0.04 1.68 1.46 1uv5A1 LYS 205 HE2 -0.02 0.11 -0.05 -0.04 2.99 2.99 1uv5A1 LYS 205 HE3 -0.01 -0.06 -0.01 -0.04 2.99 2.88 1uv5A1 GLN 206 H 0.01 0.13 0.09 -0.55 8.47 8.16 1uv5A1 GLN 206 HA 0.04 0.26 0.91 -0.75 4.36 4.80 1uv5A1 GLN 206 HB2 0.03 -0.06 0.04 -0.04 2.15 2.12 1uv5A1 GLN 206 HB3 0.02 -0.07 0.17 -0.04 2.02 2.09 1uv5A1 GLN 206 HG2 0.02 0.06 -0.15 -0.04 2.40 2.28 1uv5A1 GLN 206 HG3 0.05 0.15 -0.13 -0.04 2.39 2.42 1uv5A1 GLN 206 HE21 0.02 -0.07 -0.03 -0.04 6.97 6.85 1uv5A1 GLN 206 HE22 0.01 0.01 -0.09 -0.04 7.69 7.58 1uv5A1 LEU 207 H 0.01 0.24 0.28 -0.55 8.37 8.34 1uv5A1 LEU 207 HA -0.04 0.08 0.58 -0.75 4.35 4.23 1uv5A1 LEU 207 HB2 -0.04 -0.09 0.05 -0.04 1.64 1.53 1uv5A1 LEU 207 HB3 -0.09 0.10 -0.05 -0.04 1.64 1.56 1uv5A1 LEU 207 HG 0.01 0.01 0.05 -0.04 1.64 1.67 1uv5A1 LEU 207 HD13 0.01 0.00 -0.19 -0.04 0.93 0.72 1uv5A1 LEU 207 HD23 -0.04 0.01 -0.20 -0.04 0.89 0.63 1uv5A1 VAL 208 H -0.05 0.27 0.19 -0.55 8.24 8.10 1uv5A1 VAL 208 HA -0.02 0.12 0.88 -0.75 4.13 4.36 1uv5A1 VAL 208 HB -0.03 -0.01 0.15 -0.04 2.12 2.19 1uv5A1 VAL 208 HG13 -0.02 0.02 -0.10 -0.04 0.97 0.83 1uv5A1 VAL 208 HG23 -0.01 0.04 -0.16 -0.04 0.95 0.78 1uv5A1 ARG 209 H -0.02 0.12 0.15 -0.55 8.46 8.15 1uv5A1 ARG 209 HA -0.04 0.08 0.35 -0.75 4.34 3.98 1uv5A1 ARG 209 HB2 -0.02 -0.02 0.13 -0.04 1.90 1.96 1uv5A1 ARG 209 HB3 -0.02 0.01 0.03 -0.04 1.80 1.78 1uv5A1 ARG 209 HG2 -0.02 0.04 0.04 -0.04 1.67 1.68 1uv5A1 ARG 209 HG3 -0.02 0.01 0.09 -0.04 1.67 1.71 1uv5A1 ARG 209 HD2 -0.01 0.00 0.03 -0.04 3.22 3.20 1uv5A1 ARG 209 HD3 -0.01 -0.01 0.03 -0.04 3.22 3.19 1uv5A1 GLY 210 H -0.04 0.15 0.13 -0.55 8.43 8.12 1uv5A1 GLY 210 HA2 -0.02 -0.04 0.40 -0.51 4.01 3.83 1uv5A1 GLY 210 HA3 -0.02 0.14 0.68 -0.51 4.01 4.29 1uv5A1 GLU 211 H -0.04 0.38 -0.47 -0.55 8.60 7.93 1uv5A1 GLU 211 HA -0.03 0.08 0.74 -0.75 4.29 4.32 1uv5A1 GLU 211 HB2 -0.04 0.02 0.13 -0.04 2.09 2.16 1uv5A1 GLU 211 HB3 -0.03 0.00 0.08 -0.04 1.99 2.01 1uv5A1 GLU 211 HG2 -0.02 -0.04 -0.01 -0.04 2.34 2.24 1uv5A1 GLU 211 HG3 -0.02 0.03 -0.05 -0.04 2.34 2.26 1uv5A1 PRO 212 HA -0.10 0.24 0.52 -0.51 4.44 4.60 1uv5A1 PRO 212 HB2 -0.03 -0.05 -0.02 -0.04 2.28 2.14 1uv5A1 PRO 212 HB3 -0.03 -0.00 0.09 -0.04 2.02 2.04 1uv5A1 PRO 212 HG2 -0.02 -0.03 0.10 -0.04 2.03 2.04 1uv5A1 PRO 212 HG3 -0.03 0.07 0.08 -0.04 2.03 2.11 1uv5A1 PRO 212 HD2 -0.03 0.04 0.22 -0.04 3.68 3.88 1uv5A1 PRO 212 HD3 -0.03 0.20 0.40 -0.04 3.65 4.18 1uv5A1 ASN 213 H -0.14 0.54 0.39 -0.55 8.53 8.78 1uv5A1 ASN 213 HA -0.07 0.07 0.84 -0.75 4.76 4.85 1uv5A1 ASN 213 HB2 -0.55 -0.01 -0.01 -0.04 2.88 2.27 1uv5A1 ASN 213 HB3 -0.05 -0.04 0.05 -0.04 2.79 2.71 1uv5A1 ASN 213 HD21 -0.28 0.03 -0.06 -0.04 7.03 6.68 1uv5A1 ASN 213 HD22 -0.73 -0.04 -0.08 -0.04 7.74 6.85 1uv5A1 VAL 214 H -0.07 0.09 0.14 -0.55 8.24 7.85 1uv5A1 VAL 214 HA -0.12 0.10 0.53 -0.75 4.13 3.88 1uv5A1 VAL 214 HB -1.27 -0.12 0.09 -0.04 2.12 0.79 1uv5A1 VAL 214 HG13 -0.18 0.02 0.06 -0.04 0.97 0.82 1uv5A1 VAL 214 HG23 -0.28 0.00 0.01 -0.04 0.95 0.64 1uv5A1 SER 215 H -0.08 0.13 0.21 -0.55 8.46 8.17 1uv5A1 SER 215 HA -0.02 0.20 0.91 -0.75 4.49 4.82 1uv5A1 SER 215 HB2 0.01 0.02 0.20 -0.04 3.95 4.14 1uv5A1 SER 215 HB3 0.10 0.46 0.03 -0.04 3.93 4.47 1uv5A1 TYR 216 H -0.54 -0.02 -0.20 -0.55 8.29 6.98 1uv5A1 TYR 216 HA -0.01 0.36 0.97 -0.75 4.56 5.13 1uv5A1 TYR 216 HB2 -0.00 -0.01 0.21 -0.04 3.06 3.22 1uv5A1 TYR 216 HB3 0.00 0.02 0.04 -0.04 2.98 3.00 1uv5A1 TYR 216 HD2 0.02 0.02 -0.05 -0.04 7.15 7.10 1uv5A1 TYR 216 HE2 0.02 0.01 0.00 -0.04 6.85 6.84 1uv5A1 ILE 217 H -0.06 0.15 -0.43 -0.55 8.25 7.35 1uv5A1 ILE 217 HA 0.10 0.08 0.72 -0.75 4.18 4.32 1uv5A1 ILE 217 HB 0.03 -0.07 0.10 -0.04 1.89 1.92 1uv5A1 ILE 217 HG12 -0.04 0.08 -0.37 -0.04 1.49 1.11 1uv5A1 ILE 217 HG13 0.00 -0.01 -0.06 -0.04 1.21 1.10 1uv5A1 ILE 217 HG23 -0.02 -0.00 -0.09 -0.04 0.93 0.78 1uv5A1 ILE 217 HD13 -0.12 0.01 -0.09 -0.04 0.88 0.63 1uv5A1 CYS 218 H 0.05 0.01 0.07 -0.55 8.50 8.08 1uv5A1 CYS 218 HA 0.05 -0.08 0.41 -0.75 4.58 4.21 1uv5A1 CYS 218 HB2 -0.01 -0.03 -0.50 -0.04 2.97 2.39 1uv5A1 CYS 218 HB3 0.01 0.15 0.18 -0.04 2.97 3.27 1uv5A1 SER 219 H 0.08 0.08 -0.00 -0.55 8.46 8.08 1uv5A1 SER 219 HA 0.03 0.06 0.42 -0.75 4.49 4.24 1uv5A1 SER 219 HB2 0.04 0.01 0.04 -0.04 3.95 4.00 1uv5A1 SER 219 HB3 0.28 0.01 0.03 -0.04 3.93 4.21 1uv5A1 ARG 220 H -0.06 0.14 0.14 -0.55 8.46 8.12 1uv5A1 ARG 220 HA -0.01 0.13 0.26 -0.75 4.34 3.97 1uv5A1 ARG 220 HB2 -0.44 -0.15 0.11 -0.04 1.90 1.38 1uv5A1 ARG 220 HB3 -0.11 0.13 -0.08 -0.04 1.80 1.70 1uv5A1 ARG 220 HG2 -0.12 -0.06 0.09 -0.04 1.67 1.54 1uv5A1 ARG 220 HG3 -0.11 0.06 0.04 -0.04 1.67 1.62 1uv5A1 ARG 220 HD2 -0.03 0.04 -0.01 -0.04 3.22 3.18 1uv5A1 ARG 220 HD3 -0.03 0.02 0.05 -0.04 3.22 3.23 1uv5A1 TYR 221 H -0.30 -0.00 -0.13 -0.55 8.29 7.30 1uv5A1 TYR 221 HA -0.10 0.28 0.36 -0.75 4.56 4.34 1uv5A1 TYR 221 HB2 -0.75 -0.06 -0.01 -0.04 3.06 2.19 1uv5A1 TYR 221 HB3 -0.50 -0.03 -0.01 -0.04 2.98 2.41 1uv5A1 TYR 221 HD2 -0.04 0.09 -0.07 -0.04 7.15 7.10 1uv5A1 TYR 221 HE2 0.00 -0.01 -0.01 -0.04 6.85 6.79 1uv5A1 TYR 222 H 0.15 0.59 -0.30 -0.55 8.29 8.17 1uv5A1 TYR 222 HA 0.31 0.21 0.80 -0.75 4.56 5.13 1uv5A1 TYR 222 HB2 0.10 -0.03 -0.01 -0.04 3.06 3.08 1uv5A1 TYR 222 HB3 0.14 -0.06 0.13 -0.04 2.98 3.15 1uv5A1 TYR 222 HD2 0.07 0.07 -0.09 -0.04 7.15 7.15 1uv5A1 TYR 222 HE2 0.06 -0.00 -0.16 -0.04 6.85 6.71 1uv5A1 ARG 223 H 0.15 0.39 -0.28 -0.55 8.46 8.16 1uv5A1 ARG 223 HA 0.05 -0.07 0.32 -0.75 4.34 3.89 1uv5A1 ARG 223 HB2 -0.01 0.08 -0.01 -0.04 1.90 1.92 1uv5A1 ARG 223 HB3 -0.09 -0.02 -0.14 -0.04 1.80 1.51 1uv5A1 ARG 223 HG2 -0.01 0.11 -0.14 -0.04 1.67 1.59 1uv5A1 ARG 223 HG3 0.05 -0.05 -0.43 -0.04 1.67 1.20 1uv5A1 ARG 223 HD2 0.00 -0.04 -0.15 -0.04 3.22 2.99 1uv5A1 ARG 223 HD3 -0.01 0.03 -0.05 -0.04 3.22 3.15 1uv5A1 ALA 224 H -0.14 0.03 0.18 -0.55 8.40 7.93 1uv5A1 ALA 224 HA -2.09 0.21 0.44 -0.75 4.34 2.13 1uv5A1 ALA 224 HB3 -0.22 0.00 0.16 -0.04 1.41 1.30 1uv5A1 PRO 225 HA -0.43 0.07 0.32 -0.51 4.44 3.90 1uv5A1 PRO 225 HB2 -0.08 0.03 0.01 -0.04 2.28 2.20 1uv5A1 PRO 225 HB3 -0.11 0.04 0.02 -0.04 2.02 1.93 1uv5A1 PRO 225 HG2 -0.69 0.08 -0.02 -0.04 2.03 1.36 1uv5A1 PRO 225 HG3 -0.98 0.09 0.03 -0.04 2.03 1.13 1uv5A1 PRO 225 HD2 -0.89 0.11 0.14 -0.04 3.68 3.01 1uv5A1 PRO 225 HD3 -3.33 0.18 0.19 -0.04 3.65 0.64 1uv5A1 GLU 226 H -0.17 0.14 -0.25 -0.55 8.60 7.78 1uv5A1 GLU 226 HA 0.16 0.07 0.28 -0.75 4.29 4.04 1uv5A1 GLU 226 HB2 0.08 0.20 0.10 -0.04 2.09 2.43 1uv5A1 GLU 226 HB3 0.04 0.02 0.16 -0.04 1.99 2.17 1uv5A1 GLU 226 HG2 -0.09 -0.10 -0.03 -0.04 2.34 2.07 1uv5A1 GLU 226 HG3 0.07 -0.05 0.00 -0.04 2.34 2.33 1uv5A1 LEU 227 H -0.17 0.17 -0.28 -0.55 8.37 7.53 1uv5A1 LEU 227 HA -0.10 0.10 0.47 -0.75 4.35 4.06 1uv5A1 LEU 227 HB2 -0.20 0.06 0.14 -0.04 1.64 1.61 1uv5A1 LEU 227 HB3 -0.13 0.08 -0.05 -0.04 1.64 1.50 1uv5A1 LEU 227 HG -0.23 0.22 0.05 -0.04 1.64 1.64 1uv5A1 LEU 227 HD13 -0.69 -0.01 -0.01 -0.04 0.93 0.18 1uv5A1 LEU 227 HD23 -0.23 -0.06 0.02 -0.04 0.89 0.58 1uv5A1 ILE 228 H -0.20 0.33 -0.16 -0.55 8.25 7.67 1uv5A1 ILE 228 HA -0.11 0.00 0.34 -0.75 4.18 3.65 1uv5A1 ILE 228 HB -0.43 0.09 0.06 -0.04 1.89 1.57 1uv5A1 ILE 228 HG12 -0.14 -0.05 -0.06 -0.04 1.49 1.21 1uv5A1 ILE 228 HG13 -0.22 0.09 -0.18 -0.04 1.21 0.85 1uv5A1 ILE 228 HG23 -0.26 -0.02 -0.08 -0.04 0.93 0.53 1uv5A1 ILE 228 HD13 -0.22 0.00 -0.11 -0.04 0.88 0.51 1uv5A1 PHE 229 H 0.01 0.60 -0.24 -0.55 8.34 8.15 1uv5A1 PHE 229 HA -0.00 0.04 0.48 -0.75 4.62 4.39 1uv5A1 PHE 229 HB2 -0.03 0.03 0.04 -0.04 3.15 3.15 1uv5A1 PHE 229 HB3 0.02 0.02 0.10 -0.04 3.06 3.16 1uv5A1 PHE 229 HD2 -0.02 0.02 -0.15 -0.04 7.28 7.09 1uv5A1 PHE 229 HE2 0.06 -0.05 -0.08 -0.04 7.38 7.27 1uv5A1 PHE 229 HZ -0.04 -0.04 -0.05 -0.04 7.32 7.15 1uv5A1 GLY 230 H 0.07 0.51 -0.61 -0.55 8.43 7.85 1uv5A1 GLY 230 HA2 0.07 -0.04 0.32 -0.51 4.01 3.86 1uv5A1 GLY 230 HA3 0.10 0.09 0.71 -0.51 4.01 4.40 1uv5A1 ALA 231 H 0.13 0.38 -0.13 -0.55 8.40 8.23 1uv5A1 ALA 231 HA 0.10 -0.06 0.34 -0.75 4.34 3.96 1uv5A1 ALA 231 HB3 0.14 -0.01 0.03 -0.04 1.41 1.54 1uv5A1 THR 232 H 0.06 0.05 0.23 -0.55 8.28 8.08 1uv5A1 THR 232 HA 0.14 0.41 1.07 -0.75 4.39 5.25 1uv5A1 THR 232 HB -0.02 -0.13 0.32 -0.04 4.32 4.45 1uv5A1 THR 232 HG23 0.05 0.04 0.01 -0.04 1.22 1.29 1uv5A1 ASP 233 H 0.03 0.07 0.04 -0.55 8.40 7.99 1uv5A1 ASP 233 HA -0.16 0.27 0.80 -0.75 4.63 4.78 1uv5A1 ASP 233 HB2 -0.04 -0.01 0.18 -0.04 2.71 2.80 1uv5A1 ASP 233 HB3 -0.03 -0.01 0.01 -0.04 2.70 2.62 1uv5A1 TYR 234 H -0.34 0.12 -0.38 -0.55 8.29 7.14 1uv5A1 TYR 234 HA 0.01 0.12 0.51 -0.75 4.56 4.45 1uv5A1 TYR 234 HB2 0.01 -0.09 0.08 -0.04 3.06 3.01 1uv5A1 TYR 234 HB3 0.00 0.05 -0.05 -0.04 2.98 2.94 1uv5A1 TYR 234 HD2 -0.00 0.09 -0.35 -0.04 7.15 6.84 1uv5A1 TYR 234 HE2 -0.03 0.07 -0.26 -0.04 6.85 6.60 1uv5A1 THR 235 H 0.18 0.06 0.13 -0.55 8.28 8.11 1uv5A1 THR 235 HA 0.01 0.32 0.84 -0.75 4.39 4.81 1uv5A1 THR 235 HB 0.01 -0.12 0.19 -0.04 4.32 4.36 1uv5A1 THR 235 HG23 0.01 0.06 -0.11 -0.04 1.22 1.13 1uv5A1 SER 236 H -0.05 0.27 0.14 -0.55 8.46 8.28 1uv5A1 SER 236 HA -0.03 0.05 0.38 -0.75 4.49 4.14 1uv5A1 SER 236 HB2 -0.43 0.06 0.02 -0.04 3.95 3.56 1uv5A1 SER 236 HB3 -1.19 0.00 0.12 -0.04 3.93 2.82 1uv5A1 SER 237 H 0.05 0.08 -0.40 -0.55 8.46 7.64 1uv5A1 SER 237 HA 0.15 0.09 0.40 -0.75 4.49 4.38 1uv5A1 SER 237 HB2 0.15 0.17 0.12 -0.04 3.95 4.34 1uv5A1 SER 237 HB3 0.10 0.06 0.05 -0.04 3.93 4.10 1uv5A1 ILE 238 H 0.13 0.44 -0.45 -0.55 8.25 7.82 1uv5A1 ILE 238 HA 0.15 0.09 0.49 -0.75 4.18 4.15 1uv5A1 ILE 238 HB -0.01 -0.04 0.09 -0.04 1.89 1.89 1uv5A1 ILE 238 HG12 0.13 0.28 0.05 -0.04 1.49 1.91 1uv5A1 ILE 238 HG13 0.10 -0.12 -0.05 -0.04 1.21 1.09 1uv5A1 ILE 238 HG23 -0.10 0.03 0.04 -0.04 0.93 0.86 1uv5A1 ILE 238 HD13 -0.17 0.01 -0.09 -0.04 0.88 0.59 1uv5A1 ASP 239 H 0.18 0.49 -0.06 -0.55 8.40 8.46 1uv5A1 ASP 239 HA 0.15 -0.04 0.39 -0.75 4.63 4.38 1uv5A1 ASP 239 HB2 0.38 0.20 0.15 -0.04 2.71 3.39 1uv5A1 ASP 239 HB3 0.14 -0.00 0.07 -0.04 2.70 2.87 1uv5A1 VAL 240 H 0.25 0.22 -0.35 -0.55 8.24 7.82 1uv5A1 VAL 240 HA 0.27 -0.01 0.37 -0.75 4.13 4.01 1uv5A1 VAL 240 HB 0.22 0.16 0.15 -0.04 2.12 2.62 1uv5A1 VAL 240 HG13 0.17 0.08 -0.11 -0.04 0.97 1.07 1uv5A1 VAL 240 HG23 0.26 -0.01 -0.04 -0.04 0.95 1.12 1uv5A1 TRP 241 H 0.38 0.33 -0.09 -0.55 7.97 8.05 1uv5A1 TRP 241 HA 0.13 0.14 0.32 -0.75 4.62 4.45 1uv5A1 TRP 241 HB2 0.09 0.04 0.16 -0.04 3.23 3.47 1uv5A1 TRP 241 HB3 0.09 0.05 0.22 -0.04 3.23 3.55 1uv5A1 TRP 241 HD1 0.12 0.24 -0.49 -0.04 7.22 7.05 1uv5A1 TRP 241 HE1 0.13 0.12 -0.28 -0.04 10.20 10.13 1uv5A1 TRP 241 HE3 0.06 0.11 0.02 -0.04 7.59 7.74 1uv5A1 TRP 241 HZ2 -0.40 0.03 -0.08 -0.04 7.44 6.95 1uv5A1 TRP 241 HZ3 -0.09 -0.01 -0.54 -0.04 7.13 6.45 1uv5A1 TRP 241 HH2 -0.31 0.01 -0.14 -0.04 7.19 6.71 1uv5A1 SER 242 H 0.38 0.46 -0.10 -0.55 8.46 8.65 1uv5A1 SER 242 HA 0.36 0.10 0.36 -0.75 4.49 4.56 1uv5A1 SER 242 HB2 0.13 0.00 0.18 -0.04 3.95 4.22 1uv5A1 SER 242 HB3 0.12 0.06 0.01 -0.04 3.93 4.09 1uv5A1 ALA 243 H 0.09 0.73 -0.04 -0.55 8.40 8.63 1uv5A1 ALA 243 HA -0.10 -0.09 0.34 -0.75 4.34 3.73 1uv5A1 ALA 243 HB3 -0.12 0.02 0.05 -0.04 1.41 1.32 1uv5A1 GLY 244 H 0.05 0.74 -0.35 -0.55 8.43 8.33 1uv5A1 GLY 244 HA2 0.03 -0.07 0.41 -0.51 4.01 3.87 1uv5A1 GLY 244 HA3 -0.11 0.10 0.28 -0.51 4.01 3.77 1uv5A1 CYS 245 H -0.06 0.54 -0.07 -0.55 8.50 8.36 1uv5A1 CYS 245 HA -0.11 -0.02 0.44 -0.75 4.58 4.14 1uv5A1 CYS 245 HB2 0.34 0.12 0.17 -0.04 2.97 3.56 1uv5A1 CYS 245 HB3 0.06 -0.13 0.01 -0.04 2.97 2.87 1uv5A1 VAL 246 H 0.08 0.56 -0.25 -0.55 8.24 8.09 1uv5A1 VAL 246 HA 0.16 -0.02 0.35 -0.75 4.13 3.87 1uv5A1 VAL 246 HB -0.04 0.16 0.11 -0.04 2.12 2.31 1uv5A1 VAL 246 HG13 -0.01 -0.02 -0.24 -0.04 0.97 0.65 1uv5A1 VAL 246 HG23 -0.08 0.00 -0.16 -0.04 0.95 0.66 1uv5A1 LEU 247 H 0.00 0.64 -0.03 -0.55 8.37 8.43 1uv5A1 LEU 247 HA 0.02 -0.03 0.35 -0.75 4.35 3.93 1uv5A1 LEU 247 HB2 0.05 -0.02 0.07 -0.04 1.64 1.70 1uv5A1 LEU 247 HB3 -0.02 0.17 0.17 -0.04 1.64 1.91 1uv5A1 LEU 247 HG -0.21 0.03 -0.29 -0.04 1.64 1.12 1uv5A1 LEU 247 HD13 -0.13 -0.03 -0.03 -0.04 0.93 0.69 1uv5A1 LEU 247 HD23 -0.25 0.01 -0.08 -0.04 0.89 0.53 1uv5A1 ALA 248 H -0.02 0.65 -0.18 -0.55 8.40 8.31 1uv5A1 ALA 248 HA 0.09 0.01 0.33 -0.75 4.34 4.02 1uv5A1 ALA 248 HB3 0.06 0.02 0.08 -0.04 1.41 1.53 1uv5A1 GLU 249 H 0.04 0.52 -0.29 -0.55 8.60 8.33 1uv5A1 GLU 249 HA 0.02 0.25 0.46 -0.75 4.29 4.27 1uv5A1 GLU 249 HB2 0.06 -0.14 0.03 -0.04 2.09 2.00 1uv5A1 GLU 249 HB3 0.12 0.15 0.16 -0.04 1.99 2.38 1uv5A1 GLU 249 HG2 0.12 -0.01 -0.29 -0.04 2.34 2.12 1uv5A1 GLU 249 HG3 0.08 -0.03 -0.30 -0.04 2.34 2.05 1uv5A1 LEU 250 H 0.05 0.55 -0.19 -0.55 8.37 8.23 1uv5A1 LEU 250 HA 0.05 0.01 0.45 -0.75 4.35 4.11 1uv5A1 LEU 250 HB2 0.05 0.15 0.13 -0.04 1.64 1.93 1uv5A1 LEU 250 HB3 0.04 -0.04 -0.05 -0.04 1.64 1.55 1uv5A1 LEU 250 HG 0.08 -0.06 -0.03 -0.04 1.64 1.59 1uv5A1 LEU 250 HD13 0.08 0.00 -0.09 -0.04 0.93 0.88 1uv5A1 LEU 250 HD23 0.12 -0.01 -0.11 -0.04 0.89 0.85 1uv5A1 LEU 251 H 0.03 0.36 -0.40 -0.55 8.37 7.82 1uv5A1 LEU 251 HA -0.01 0.11 0.82 -0.75 4.35 4.52 1uv5A1 LEU 251 HB2 -0.08 0.11 0.05 -0.04 1.64 1.68 1uv5A1 LEU 251 HB3 -0.18 -0.09 0.06 -0.04 1.64 1.40 1uv5A1 LEU 251 HG -0.15 0.23 -0.04 -0.04 1.64 1.64 1uv5A1 LEU 251 HD13 -0.58 -0.03 -0.11 -0.04 0.93 0.17 1uv5A1 LEU 251 HD23 -0.08 -0.01 -0.06 -0.04 0.89 0.70 1uv5A1 LEU 252 H 0.10 0.28 -0.13 -0.55 8.37 8.07 1uv5A1 LEU 252 HA 0.14 0.13 0.93 -0.75 4.35 4.79 1uv5A1 LEU 252 HB2 0.04 0.12 0.14 -0.04 1.64 1.89 1uv5A1 LEU 252 HB3 0.01 -0.04 -0.04 -0.04 1.64 1.54 1uv5A1 LEU 252 HG 0.34 -0.06 -0.09 -0.04 1.64 1.79 1uv5A1 LEU 252 HD13 -0.15 -0.00 -0.11 -0.04 0.93 0.63 1uv5A1 LEU 252 HD23 -0.08 -0.01 -0.02 -0.04 0.89 0.73 1uv5A1 GLY 253 H 0.05 0.41 -0.01 -0.55 8.43 8.34 1uv5A1 GLY 253 HA2 0.05 -0.01 0.31 -0.51 4.01 3.85 1uv5A1 GLY 253 HA3 0.04 0.12 0.56 -0.51 4.01 4.23 1uv5A1 GLN 254 H 0.02 0.26 -0.12 -0.55 8.47 8.08 1uv5A1 GLN 254 HA 0.03 0.04 0.46 -0.75 4.36 4.13 1uv5A1 GLN 254 HB2 -0.05 -0.01 0.05 -0.04 2.15 2.10 1uv5A1 GLN 254 HB3 -0.00 0.06 -0.04 -0.04 2.02 1.99 1uv5A1 GLN 254 HG2 -0.01 0.06 -0.34 -0.04 2.40 2.06 1uv5A1 GLN 254 HG3 -0.05 0.03 -0.27 -0.04 2.39 2.05 1uv5A1 GLN 254 HE21 -0.03 -0.06 -0.05 -0.04 6.97 6.79 1uv5A1 GLN 254 HE22 -0.02 0.07 -0.08 -0.04 7.69 7.62 1uv5A1 PRO 255 HA -0.11 -0.01 0.42 -0.51 4.44 4.24 1uv5A1 PRO 255 HB2 -0.53 0.03 -0.03 -0.04 2.28 1.70 1uv5A1 PRO 255 HB3 -0.50 -0.00 -0.03 -0.04 2.02 1.44 1uv5A1 PRO 255 HG2 -0.18 -0.00 0.03 -0.04 2.03 1.83 1uv5A1 PRO 255 HG3 0.05 0.01 0.01 -0.04 2.03 2.06 1uv5A1 PRO 255 HD2 -0.09 0.12 0.17 -0.04 3.68 3.84 1uv5A1 PRO 255 HD3 0.03 0.14 0.11 -0.04 3.65 3.89 1uv5A1 ILE 256 H -0.23 0.10 0.14 -0.55 8.25 7.70 1uv5A1 ILE 256 HA -0.28 0.20 0.51 -0.75 4.18 3.85 1uv5A1 ILE 256 HB -0.29 -0.01 -0.01 -0.04 1.89 1.53 1uv5A1 ILE 256 HG12 -0.96 0.02 -0.15 -0.04 1.49 0.37 1uv5A1 ILE 256 HG13 -0.41 0.04 0.03 -0.04 1.21 0.83 1uv5A1 ILE 256 HG23 -0.92 0.00 -0.03 -0.04 0.93 -0.06 1uv5A1 ILE 256 HD13 -0.36 -0.01 -0.06 -0.04 0.88 0.42 1uv5A1 PHE 257 H -0.22 0.02 -0.14 -0.55 8.34 7.44 1uv5A1 PHE 257 HA -0.09 0.30 0.98 -0.75 4.62 5.06 1uv5A1 PHE 257 HB2 0.04 0.07 0.16 -0.04 3.15 3.38 1uv5A1 PHE 257 HB3 0.03 0.01 0.08 -0.04 3.06 3.15 1uv5A1 PHE 257 HD2 0.06 0.07 -0.13 -0.04 7.28 7.24 1uv5A1 PHE 257 HE2 -0.22 0.04 -0.15 -0.04 7.38 7.02 1uv5A1 PHE 257 HZ -0.11 0.02 -0.09 -0.04 7.32 7.09 1uv5A1 PRO 258 HA -0.42 0.02 0.40 -0.51 4.44 3.93 1uv5A1 PRO 258 HB2 -0.10 -0.03 -0.13 -0.04 2.28 1.97 1uv5A1 PRO 258 HB3 -0.36 -0.03 0.01 -0.04 2.02 1.60 1uv5A1 PRO 258 HG2 -0.14 0.04 -0.08 -0.04 2.03 1.81 1uv5A1 PRO 258 HG3 -0.30 0.12 -0.18 -0.04 2.03 1.63 1uv5A1 PRO 258 HD2 -0.04 0.05 -0.03 -0.04 3.68 3.62 1uv5A1 PRO 258 HD3 -0.12 0.40 -0.67 -0.04 3.65 3.21 1uv5A1 GLY 259 H 0.14 0.10 -0.06 -0.55 8.43 8.06 1uv5A1 GLY 259 HA2 0.04 -0.05 0.27 -0.51 4.01 3.76 1uv5A1 GLY 259 HA3 0.05 0.17 0.39 -0.51 4.01 4.11 1uv5A1 ASP 260 H 0.04 0.11 0.12 -0.55 8.40 8.12 1uv5A1 ASP 260 HA 0.05 0.11 0.53 -0.75 4.63 4.57 1uv5A1 ASP 260 HB2 0.02 -0.07 0.17 -0.04 2.71 2.78 1uv5A1 ASP 260 HB3 0.01 0.03 0.02 -0.04 2.70 2.72 1uv5A1 SER 261 H 0.01 -0.02 0.04 -0.55 8.46 7.94 1uv5A1 SER 261 HA -0.02 0.34 0.92 -0.75 4.49 4.97 1uv5A1 SER 261 HB2 -0.05 0.05 0.15 -0.04 3.95 4.06 1uv5A1 SER 261 HB3 -0.02 0.07 0.04 -0.04 3.93 3.98 1uv5A1 GLY 262 H -0.07 0.23 0.14 -0.55 8.43 8.19 1uv5A1 GLY 262 HA2 -0.07 0.17 0.37 -0.51 4.01 3.97 1uv5A1 GLY 262 HA3 -0.11 0.18 0.30 -0.51 4.01 3.87 1uv5A1 VAL 263 H -0.11 0.04 -0.19 -0.55 8.24 7.42 1uv5A1 VAL 263 HA -0.04 0.15 0.36 -0.75 4.13 3.84 1uv5A1 VAL 263 HB -0.09 -0.10 0.05 -0.04 2.12 1.94 1uv5A1 VAL 263 HG13 0.09 0.02 -0.16 -0.04 0.97 0.88 1uv5A1 VAL 263 HG23 -0.61 0.02 0.01 -0.04 0.95 0.33 1uv5A1 ASP 264 H -0.01 -0.01 -0.32 -0.55 8.40 7.50 1uv5A1 ASP 264 HA 0.04 0.09 0.40 -0.75 4.63 4.41 1uv5A1 ASP 264 HB2 0.02 0.02 0.09 -0.04 2.71 2.80 1uv5A1 ASP 264 HB3 0.02 0.09 0.07 -0.04 2.70 2.84 1uv5A1 GLN 265 H -0.01 0.41 -0.20 -0.55 8.47 8.12 1uv5A1 GLN 265 HA 0.01 0.22 0.26 -0.75 4.36 4.09 1uv5A1 GLN 265 HB2 -0.06 -0.00 0.06 -0.04 2.15 2.10 1uv5A1 GLN 265 HB3 -0.05 0.03 -0.11 -0.04 2.02 1.85 1uv5A1 GLN 265 HG2 0.09 0.21 -0.32 -0.04 2.40 2.33 1uv5A1 GLN 265 HG3 0.04 -0.06 -0.21 -0.04 2.39 2.12 1uv5A1 GLN 265 HE21 0.10 0.53 -0.01 -0.04 6.97 7.55 1uv5A1 GLN 265 HE22 0.16 0.14 -0.05 -0.04 7.69 7.90 1uv5A1 LEU 266 H -0.08 0.56 -0.27 -0.55 8.37 8.03 1uv5A1 LEU 266 HA -0.22 0.00 0.38 -0.75 4.35 3.76 1uv5A1 LEU 266 HB2 0.01 0.13 0.17 -0.04 1.64 1.90 1uv5A1 LEU 266 HB3 -0.17 -0.04 -0.05 -0.04 1.64 1.34 1uv5A1 LEU 266 HG -0.38 -0.03 -0.03 -0.04 1.64 1.15 1uv5A1 LEU 266 HD13 -0.47 -0.00 -0.04 -0.04 0.93 0.38 1uv5A1 LEU 266 HD23 -0.43 0.02 -0.14 -0.04 0.89 0.30 1uv5A1 VAL 267 H 0.02 0.49 -0.19 -0.55 8.24 8.01 1uv5A1 VAL 267 HA -0.08 -0.02 0.37 -0.75 4.13 3.65 1uv5A1 VAL 267 HB 0.04 0.06 0.18 -0.04 2.12 2.36 1uv5A1 VAL 267 HG13 0.01 -0.00 -0.14 -0.04 0.97 0.79 1uv5A1 VAL 267 HG23 0.21 0.01 -0.02 -0.04 0.95 1.10 1uv5A1 GLU 268 H -0.03 0.62 -0.10 -0.55 8.60 8.54 1uv5A1 GLU 268 HA -0.02 -0.02 0.36 -0.75 4.29 3.87 1uv5A1 GLU 268 HB2 0.14 0.04 0.04 -0.04 2.09 2.27 1uv5A1 GLU 268 HB3 0.15 0.02 0.06 -0.04 1.99 2.18 1uv5A1 GLU 268 HG2 0.01 0.30 0.09 -0.04 2.34 2.71 1uv5A1 GLU 268 HG3 0.07 0.31 -0.03 -0.04 2.34 2.64 1uv5A1 ILE 269 H -0.22 0.72 -0.10 -0.55 8.25 8.10 1uv5A1 ILE 269 HA -0.51 0.03 0.37 -0.75 4.18 3.32 1uv5A1 ILE 269 HB -0.26 0.08 0.16 -0.04 1.89 1.83 1uv5A1 ILE 269 HG12 -1.07 -0.05 -0.04 -0.04 1.49 0.30 1uv5A1 ILE 269 HG13 -1.09 0.05 0.01 -0.04 1.21 0.14 1uv5A1 ILE 269 HG23 -0.14 -0.03 -0.18 -0.04 0.93 0.54 1uv5A1 ILE 269 HD13 -0.30 -0.02 -0.17 -0.04 0.88 0.35 1uv5A1 ILE 270 H -0.14 0.79 -0.08 -0.55 8.25 8.27 1uv5A1 ILE 270 HA 0.04 0.08 0.26 -0.75 4.18 3.80 1uv5A1 ILE 270 HB -0.15 0.14 0.02 -0.04 1.89 1.86 1uv5A1 ILE 270 HG12 -0.16 -0.04 -0.06 -0.04 1.49 1.19 1uv5A1 ILE 270 HG13 -0.19 0.11 0.02 -0.04 1.21 1.11 1uv5A1 ILE 270 HG23 -0.09 -0.04 -0.39 -0.04 0.93 0.37 1uv5A1 ILE 270 HD13 -0.66 -0.03 -0.15 -0.04 0.88 0.00 1uv5A1 LYS 271 H -0.13 0.57 -0.47 -0.55 8.42 7.83 1uv5A1 LYS 271 HA -0.30 -0.07 0.34 -0.75 4.32 3.54 1uv5A1 LYS 271 HB2 -0.16 0.23 0.14 -0.04 1.87 2.04 1uv5A1 LYS 271 HB3 -0.34 -0.06 0.08 -0.04 1.79 1.43 1uv5A1 LYS 271 HG2 -0.32 -0.10 0.01 -0.04 1.46 1.02 1uv5A1 LYS 271 HG3 -0.14 0.11 -0.00 -0.04 1.46 1.38 1uv5A1 LYS 271 HD2 -0.19 0.01 0.01 -0.04 1.69 1.48 1uv5A1 LYS 271 HD3 -0.15 -0.08 -0.01 -0.04 1.68 1.40 1uv5A1 LYS 271 HE2 -0.05 -0.08 -0.05 -0.04 2.99 2.76 1uv5A1 LYS 271 HE3 -0.07 0.06 -0.12 -0.04 2.99 2.82 1uv5A1 VAL 272 H -0.18 0.43 -0.59 -0.55 8.24 7.35 1uv5A1 VAL 272 HA -0.32 0.15 0.92 -0.75 4.13 4.12 1uv5A1 VAL 272 HB -0.25 0.07 0.02 -0.04 2.12 1.91 1uv5A1 VAL 272 HG13 -1.30 -0.02 -0.06 -0.04 0.97 -0.44 1uv5A1 VAL 272 HG23 -0.17 0.05 -0.21 -0.04 0.95 0.57 1uv5A1 LEU 273 H -0.16 0.25 0.19 -0.55 8.37 8.11 1uv5A1 LEU 273 HA -0.16 0.19 0.97 -0.75 4.35 4.60 1uv5A1 LEU 273 HB2 -0.13 0.08 -0.02 -0.04 1.64 1.53 1uv5A1 LEU 273 HB3 -0.10 -0.10 0.13 -0.04 1.64 1.53 1uv5A1 LEU 273 HG -0.20 0.07 -0.05 -0.04 1.64 1.42 1uv5A1 LEU 273 HD13 -0.47 -0.04 -0.08 -0.04 0.93 0.30 1uv5A1 LEU 273 HD23 -0.08 0.00 -0.19 -0.04 0.89 0.58 1uv5A1 GLY 274 H -0.04 0.43 0.13 -0.55 8.43 8.41 1uv5A1 GLY 274 HA2 0.01 -0.06 0.47 -0.51 4.01 3.92 1uv5A1 GLY 274 HA3 0.05 0.09 0.76 -0.51 4.01 4.40 1uv5A1 THR 275 H -0.00 0.00 0.20 -0.55 8.28 7.93 1uv5A1 THR 275 HA -0.11 0.14 0.43 -0.75 4.39 4.10 1uv5A1 THR 275 HB -0.04 -0.08 0.08 -0.04 4.32 4.24 1uv5A1 THR 275 HG23 -0.08 0.04 0.04 -0.04 1.22 1.17 1uv5A1 PRO 276 HA -0.44 0.06 0.65 -0.51 4.44 4.21 1uv5A1 PRO 276 HB2 -0.37 -0.00 0.01 -0.04 2.28 1.88 1uv5A1 PRO 276 HB3 -0.77 -0.03 0.01 -0.04 2.02 1.18 1uv5A1 PRO 276 HG2 -0.37 0.04 0.02 -0.04 2.03 1.68 1uv5A1 PRO 276 HG3 -1.46 0.10 -0.00 -0.04 2.03 0.63 1uv5A1 PRO 276 HD2 -0.25 0.07 0.19 -0.04 3.68 3.64 1uv5A1 PRO 276 HD3 -0.26 0.17 0.18 -0.04 3.65 3.71 1uv5A1 THR 277 H -0.12 0.10 0.18 -0.55 8.28 7.89 1uv5A1 THR 277 HA -0.07 0.15 0.45 -0.75 4.39 4.17 1uv5A1 THR 277 HB -0.03 0.04 0.15 -0.04 4.32 4.44 1uv5A1 THR 277 HG23 -0.01 0.05 0.11 -0.04 1.22 1.33 1uv5A1 ARG 278 H -0.06 0.17 0.15 -0.55 8.46 8.17 1uv5A1 ARG 278 HA -0.14 0.14 0.29 -0.75 4.34 3.88 1uv5A1 ARG 278 HB2 -0.04 -0.01 0.16 -0.04 1.90 1.97 1uv5A1 ARG 278 HB3 -0.03 0.01 -0.04 -0.04 1.80 1.71 1uv5A1 ARG 278 HG2 -0.03 0.04 0.04 -0.04 1.67 1.67 1uv5A1 ARG 278 HG3 -0.02 0.03 0.04 -0.04 1.67 1.68 1uv5A1 ARG 278 HD2 0.04 0.02 -0.03 -0.04 3.22 3.20 1uv5A1 ARG 278 HD3 0.03 0.01 0.00 -0.04 3.22 3.23 1uv5A1 GLU 279 H -0.04 0.01 -0.30 -0.55 8.60 7.73 1uv5A1 GLU 279 HA -0.02 0.11 0.32 -0.75 4.29 3.95 1uv5A1 GLU 279 HB2 -0.01 0.02 0.07 -0.04 2.09 2.13 1uv5A1 GLU 279 HB3 -0.02 -0.13 0.08 -0.04 1.99 1.88 1uv5A1 GLU 279 HG2 0.01 0.03 -0.02 -0.04 2.34 2.31 1uv5A1 GLU 279 HG3 0.00 0.01 -0.15 -0.04 2.34 2.16 1uv5A1 GLN 280 H -0.05 0.02 -0.14 -0.55 8.47 7.75 1uv5A1 GLN 280 HA -0.02 0.00 0.30 -0.75 4.36 3.89 1uv5A1 GLN 280 HB2 -0.18 0.13 0.09 -0.04 2.15 2.15 1uv5A1 GLN 280 HB3 -0.06 0.03 -0.04 -0.04 2.02 1.90 1uv5A1 GLN 280 HG2 0.04 0.01 0.05 -0.04 2.40 2.46 1uv5A1 GLN 280 HG3 -0.02 -0.10 0.11 -0.04 2.39 2.34 1uv5A1 GLN 280 HE21 0.23 0.14 0.06 -0.04 6.97 7.36 1uv5A1 GLN 280 HE22 0.15 -0.04 0.05 -0.04 7.69 7.81 1uv5A1 ILE 281 H -0.24 0.53 -0.27 -0.55 8.25 7.72 1uv5A1 ILE 281 HA -0.41 -0.01 0.23 -0.75 4.18 3.24 1uv5A1 ILE 281 HB -0.49 0.07 -0.02 -0.04 1.89 1.41 1uv5A1 ILE 281 HG12 -0.38 0.01 -0.04 -0.04 1.49 1.04 1uv5A1 ILE 281 HG13 -0.37 -0.11 -0.06 -0.04 1.21 0.63 1uv5A1 ILE 281 HG23 -1.04 0.01 -0.11 -0.04 0.93 -0.26 1uv5A1 ILE 281 HD13 -0.22 0.13 -0.34 -0.04 0.88 0.40 1uv5A1 ARG 282 H -0.15 0.50 -0.57 -0.55 8.46 7.69 1uv5A1 ARG 282 HA 0.06 0.15 0.39 -0.75 4.34 4.19 1uv5A1 ARG 282 HB2 0.04 0.01 0.09 -0.04 1.90 2.00 1uv5A1 ARG 282 HB3 -0.01 0.19 0.18 -0.04 1.80 2.13 1uv5A1 ARG 282 HG2 0.04 -0.04 -0.14 -0.04 1.67 1.50 1uv5A1 ARG 282 HG3 0.11 0.02 0.04 -0.04 1.67 1.80 1uv5A1 ARG 282 HD2 0.02 -0.04 -0.04 -0.04 3.22 3.12 1uv5A1 ARG 282 HD3 0.04 -0.05 -0.02 -0.04 3.22 3.14 1uv5A1 GLU 283 H -0.04 0.40 -0.01 -0.55 8.60 8.41 1uv5A1 GLU 283 HA 0.02 0.04 0.43 -0.75 4.29 4.02 1uv5A1 GLU 283 HB2 0.02 0.04 -0.00 -0.04 2.09 2.11 1uv5A1 GLU 283 HB3 0.03 -0.09 0.09 -0.04 1.99 1.98 1uv5A1 GLU 283 HG2 0.00 0.00 -0.08 -0.04 2.34 2.23 1uv5A1 GLU 283 HG3 -0.01 0.00 -0.13 -0.04 2.34 2.16 1uv5A1 MET 284 H -0.06 0.29 -0.49 -0.55 8.47 7.66 1uv5A1 MET 284 HA 0.04 0.02 0.62 -0.75 4.52 4.44 1uv5A1 MET 284 HB2 -0.15 0.18 -0.00 -0.04 2.15 2.14 1uv5A1 MET 284 HB3 0.10 -0.14 -0.08 -0.04 2.03 1.87 1uv5A1 MET 284 HG2 0.05 0.01 -0.17 -0.04 2.63 2.49 1uv5A1 MET 284 HG3 -0.06 0.25 -0.18 -0.04 2.56 2.53 1uv5A1 MET 284 HE3 -0.14 -0.02 -0.21 -0.04 2.10 1.68 1uv5A1 ASN 285 H -0.05 0.40 -0.24 -0.55 8.53 8.10 1uv5A1 ASN 285 HA 0.06 0.02 0.56 -0.75 4.76 4.65 1uv5A1 ASN 285 HB2 0.09 -0.05 -0.26 -0.04 2.88 2.62 1uv5A1 ASN 285 HB3 0.03 0.04 0.03 -0.04 2.79 2.85 1uv5A1 ASN 285 HD21 0.10 -0.10 -0.07 -0.04 7.03 6.92 1uv5A1 ASN 285 HD22 0.15 0.38 0.03 -0.04 7.74 8.25 1uv5A1 PRO 286 HA 0.08 0.05 0.42 -0.51 4.44 4.48 1uv5A1 PRO 286 HB2 0.01 -0.11 0.14 -0.04 2.28 2.28 1uv5A1 PRO 286 HB3 0.01 -0.02 0.07 -0.04 2.02 2.04 1uv5A1 PRO 286 HG2 0.02 -0.02 0.06 -0.04 2.03 2.04 1uv5A1 PRO 286 HG3 0.03 0.11 0.07 -0.04 2.03 2.21 1uv5A1 PRO 286 HD2 0.04 -0.01 0.11 -0.04 3.68 3.78 1uv5A1 PRO 286 HD3 0.04 0.20 -0.15 -0.04 3.65 3.70 1uv5A1 ASN 287 H 0.00 0.08 -0.06 -0.55 8.53 8.01 1uv5A1 ASN 287 HA -0.19 0.01 0.64 -0.75 4.76 4.47 1uv5A1 ASN 287 HB2 -0.03 0.06 -0.03 -0.04 2.88 2.84 1uv5A1 ASN 287 HB3 -0.07 -0.04 0.07 -0.04 2.79 2.71 1uv5A1 ASN 287 HD21 0.00 -0.02 0.03 -0.04 7.03 7.00 1uv5A1 ASN 287 HD22 0.01 0.06 0.01 -0.04 7.74 7.78 1uv5A1 TYR 288 H -0.61 -0.09 0.15 -0.55 8.29 7.19 1uv5A1 TYR 288 HA -0.01 0.37 1.30 -0.75 4.56 5.47 1uv5A1 TYR 288 HB2 -0.15 -0.01 -0.04 -0.04 3.06 2.82 1uv5A1 TYR 288 HB3 -0.12 0.43 -0.21 -0.04 2.98 3.04 1uv5A1 TYR 288 HD2 -0.07 0.24 -0.27 -0.04 7.15 7.01 1uv5A1 TYR 288 HE2 -0.05 -0.08 -0.04 -0.04 6.85 6.64 1uv5A1 THR 289 H -0.18 -0.09 0.10 -0.55 8.28 7.56 1uv5A1 THR 289 HA 0.04 -0.12 0.42 -0.75 4.39 3.97 1uv5A1 THR 289 HB 0.11 0.28 0.46 -0.04 4.32 5.13 1uv5A1 THR 289 HG23 0.06 0.02 -0.00 -0.04 1.22 1.26 1uv5A1 GLU 290 H 0.13 -0.01 0.13 -0.55 8.60 8.30 1uv5A1 GLU 290 HA 0.18 0.13 0.42 -0.75 4.29 4.26 1uv5A1 GLU 290 HB2 0.07 0.08 0.06 -0.04 2.09 2.26 1uv5A1 GLU 290 HB3 0.15 -0.01 0.11 -0.04 1.99 2.20 1uv5A1 GLU 290 HG2 0.05 0.00 0.03 -0.04 2.34 2.38 1uv5A1 GLU 290 HG3 0.07 -0.09 0.14 -0.04 2.34 2.42 1uv5A1 PHE 291 H 0.12 0.27 0.20 -0.55 8.34 8.38 1uv5A1 PHE 291 HA -0.10 0.07 0.53 -0.75 4.62 4.37 1uv5A1 PHE 291 HB2 -0.11 0.16 -0.11 -0.04 3.15 3.04 1uv5A1 PHE 291 HB3 -0.36 0.04 -0.06 -0.04 3.06 2.63 1uv5A1 PHE 291 HD2 -1.13 0.09 -0.08 -0.04 7.28 6.11 1uv5A1 PHE 291 HE2 -0.28 0.02 -0.00 -0.04 7.38 7.07 1uv5A1 PHE 291 HZ -0.14 -0.00 0.01 -0.04 7.32 7.15 1uv5A1 LYS 292 H -1.65 0.08 0.06 -0.55 8.42 6.36 1uv5A1 LYS 292 HA -0.34 0.05 0.35 -0.75 4.32 3.62 1uv5A1 PHE 293 H -0.37 0.08 0.06 -0.55 8.34 7.55 1uv5A1 PHE 293 HA 0.07 -0.03 0.30 -0.75 4.62 4.21 1uv5A1 PHE 293 HB2 0.01 0.55 0.60 -0.04 3.15 4.28 1uv5A1 PHE 293 HB3 0.03 -0.01 0.20 -0.04 3.06 3.24 1uv5A1 PHE 293 HD2 0.15 0.05 -0.07 -0.04 7.28 7.37 1uv5A1 PHE 293 HE2 0.21 0.03 -0.06 -0.04 7.38 7.51 1uv5A1 PHE 293 HZ -0.03 0.01 -0.08 -0.04 7.32 7.17 1uv5A1 PRO 294 HA 0.05 -0.09 0.38 -0.51 4.44 4.27 1uv5A1 PRO 294 HB2 0.02 0.00 -0.11 -0.04 2.28 2.15 1uv5A1 PRO 294 HB3 0.02 -0.03 0.04 -0.04 2.02 2.01 1uv5A1 PRO 294 HG2 0.03 0.02 0.01 -0.04 2.03 2.05 1uv5A1 PRO 294 HG3 0.05 -0.00 0.11 -0.04 2.03 2.15 1uv5A1 PRO 294 HD2 0.09 0.23 -0.53 -0.04 3.68 3.43 1uv5A1 PRO 294 HD3 0.28 0.16 0.30 -0.04 3.65 4.35 1uv5A1 GLN 295 H 0.02 0.11 0.05 -0.55 8.47 8.10 1uv5A1 GLN 295 HA 0.01 -0.17 0.41 -0.75 4.36 3.86 1uv5A1 GLN 295 HB2 0.02 0.26 0.59 -0.04 2.15 2.97 1uv5A1 GLN 295 HB3 0.01 -0.05 0.09 -0.04 2.02 2.03 1uv5A1 GLN 295 HG2 0.01 0.17 -0.47 -0.04 2.40 2.08 1uv5A1 GLN 295 HG3 0.01 -0.04 -0.02 -0.04 2.39 2.30 1uv5A1 GLN 295 HE21 0.01 -0.02 -0.05 -0.04 6.97 6.87 1uv5A1 GLN 295 HE22 0.00 0.03 -0.10 -0.04 7.69 7.58 1uv5A1 ILE 296 H 0.02 0.02 0.09 -0.55 8.25 7.83 1uv5A1 ILE 296 HA 0.06 0.02 0.31 -0.75 4.18 3.82 1uv5A1 ILE 296 HB -0.06 0.30 0.42 -0.04 1.89 2.51 1uv5A1 ILE 296 HG12 0.07 -0.04 -0.03 -0.04 1.49 1.45 1uv5A1 ILE 296 HG13 0.01 -0.09 -0.46 -0.04 1.21 0.62 1uv5A1 ILE 296 HG23 -0.06 0.01 0.01 -0.04 0.93 0.84 1uv5A1 ILE 296 HD13 -0.04 0.01 -0.03 -0.04 0.88 0.78 1uv5A1 LYS 297 H 0.11 0.36 0.08 -0.55 8.42 8.42 1uv5A1 LYS 297 HA 0.01 0.00 0.36 -0.75 4.32 3.94 1uv5A1 LYS 297 HB2 0.01 0.26 -0.02 -0.04 1.87 2.08 1uv5A1 LYS 297 HB3 0.03 0.02 -0.07 -0.04 1.79 1.72 1uv5A1 LYS 297 HG2 0.03 0.07 0.15 -0.04 1.46 1.67 1uv5A1 LYS 297 HG3 0.00 -0.79 0.31 -0.04 1.46 0.94 1uv5A1 LYS 297 HD2 0.01 0.00 0.01 -0.04 1.69 1.66 1uv5A1 LYS 297 HD3 0.01 0.03 -0.02 -0.04 1.68 1.67 1uv5A1 LYS 297 HE2 -0.02 -0.02 0.03 -0.04 2.99 2.94 1uv5A1 LYS 297 HE3 -0.00 -0.02 -0.02 -0.04 2.99 2.91 1uv5A1 ALA 298 H 0.04 0.01 0.12 -0.55 8.40 8.02 1uv5A1 ALA 298 HA 0.03 0.13 0.09 -0.75 4.34 3.84 1uv5A1 ALA 298 HB3 0.04 0.01 0.02 -0.04 1.41 1.45 1uv5A1 HIS 299 H 0.03 0.08 -0.31 -0.55 8.41 7.67 1uv5A1 HIS 299 HA -0.05 0.15 0.66 -0.75 4.63 4.64 1uv5A1 HIS 299 HB2 -0.14 0.10 -0.11 -0.04 3.26 3.07 1uv5A1 HIS 299 HB3 -0.14 0.04 -0.08 -0.04 3.20 2.97 1uv5A1 HIS 299 HD2 -0.04 -0.09 -0.28 -0.04 6.97 6.51 1uv5A1 HIS 299 HE1 -0.03 -0.05 0.02 -0.04 7.75 7.64 1uv5A1 PRO 300 HA 0.06 0.02 0.49 -0.51 4.44 4.50 1uv5A1 PRO 300 HB2 -0.00 -0.04 0.21 -0.04 2.28 2.41 1uv5A1 PRO 300 HB3 0.01 0.00 0.12 -0.04 2.02 2.12 1uv5A1 PRO 300 HG2 -0.13 0.05 0.11 -0.04 2.03 2.02 1uv5A1 PRO 300 HG3 -0.10 0.05 0.10 -0.04 2.03 2.05 1uv5A1 PRO 300 HD2 -0.20 0.16 0.16 -0.04 3.68 3.76 1uv5A1 PRO 300 HD3 -0.49 0.15 0.24 -0.04 3.65 3.51 1uv5A1 TRP 301 H 0.27 0.22 0.30 -0.55 7.97 8.21 1uv5A1 TRP 301 HA 0.01 0.17 0.42 -0.75 4.62 4.47 1uv5A1 TRP 301 HB2 0.04 -0.04 0.20 -0.04 3.23 3.39 1uv5A1 TRP 301 HB3 0.07 -0.03 -0.01 -0.04 3.23 3.22 1uv5A1 TRP 301 HD1 0.03 -0.05 0.08 -0.04 7.22 7.24 1uv5A1 TRP 301 HE1 0.02 0.04 0.07 -0.04 10.20 10.29 1uv5A1 TRP 301 HE3 0.07 -0.06 0.14 -0.04 7.59 7.69 1uv5A1 TRP 301 HZ2 -0.03 0.12 -0.04 -0.04 7.44 7.46 1uv5A1 TRP 301 HZ3 -0.03 -0.03 -0.02 -0.04 7.13 7.01 1uv5A1 TRP 301 HH2 -0.05 -0.02 -0.08 -0.04 7.19 7.00 1uv5A1 THR 302 H 0.21 0.00 -0.26 -0.55 8.28 7.69 1uv5A1 THR 302 HA 0.26 0.16 0.60 -0.75 4.39 4.66 1uv5A1 THR 302 HB 0.09 -0.02 -0.00 -0.04 4.32 4.34 1uv5A1 THR 302 HG23 0.08 0.02 0.02 -0.04 1.22 1.30 1uv5A1 LYS 303 H 0.08 0.11 -0.29 -0.55 8.42 7.77 1uv5A1 LYS 303 HA 0.04 0.10 0.50 -0.75 4.32 4.20 1uv5A1 LYS 303 HB2 0.01 -0.13 0.11 -0.04 1.87 1.81 1uv5A1 LYS 303 HB3 0.00 0.17 0.11 -0.04 1.79 2.03 1uv5A1 LYS 303 HG2 -0.00 0.07 0.18 -0.04 1.46 1.66 1uv5A1 LYS 303 HG3 -0.00 -0.05 0.09 -0.04 1.46 1.45 1uv5A1 LYS 303 HD2 -0.08 -0.06 0.07 -0.04 1.69 1.58 1uv5A1 LYS 303 HD3 -0.03 0.06 0.04 -0.04 1.68 1.71 1uv5A1 LYS 303 HE2 -0.03 -0.02 0.03 -0.04 2.99 2.92 1uv5A1 LYS 303 HE3 -0.00 0.02 0.04 -0.04 2.99 3.01 1uv5A1 VAL 304 H 0.05 0.04 -0.79 -0.55 8.24 6.99 1uv5A1 VAL 304 HA -0.16 0.12 0.68 -0.75 4.13 4.02 1uv5A1 VAL 304 HB -0.63 0.05 0.10 -0.04 2.12 1.60 1uv5A1 VAL 304 HG13 -0.65 -0.02 -0.11 -0.04 0.97 0.14 1uv5A1 VAL 304 HG23 -0.13 -0.00 -0.01 -0.04 0.95 0.76 1uv5A1 PHE 305 H 0.15 0.09 -0.02 -0.55 8.34 8.01 1uv5A1 PHE 305 HA 0.01 0.17 0.77 -0.75 4.62 4.82 1uv5A1 PHE 305 HB2 0.01 0.06 0.04 -0.04 3.15 3.22 1uv5A1 PHE 305 HB3 -0.00 -0.04 0.08 -0.04 3.06 3.07 1uv5A1 PHE 305 HD2 0.03 0.05 -0.04 -0.04 7.28 7.28 1uv5A1 PHE 305 HE2 0.04 0.02 0.02 -0.04 7.38 7.42 1uv5A1 PHE 305 HZ 0.05 -0.03 -0.02 -0.04 7.32 7.27 1uv5A1 ARG 306 H 0.17 0.13 0.15 -0.55 8.46 8.35 1uv5A1 ARG 306 HA 0.06 0.09 0.35 -0.75 4.34 4.09 1uv5A1 ARG 306 HB2 0.05 -0.19 -0.06 -0.04 1.90 1.67 1uv5A1 ARG 306 HB3 0.05 0.01 0.14 -0.04 1.80 1.96 1uv5A1 ARG 306 HG2 0.08 0.08 0.15 -0.04 1.67 1.94 1uv5A1 ARG 306 HG3 0.10 0.00 0.17 -0.04 1.67 1.91 1uv5A1 ARG 306 HD2 0.05 0.08 0.02 -0.04 3.22 3.34 1uv5A1 ARG 306 HD3 0.04 -0.10 0.01 -0.04 3.22 3.13 1uv5A1 PRO 307 HA 0.05 0.18 0.45 -0.51 4.44 4.61 1uv5A1 PRO 307 HB2 0.02 -0.04 0.10 -0.04 2.28 2.32 1uv5A1 PRO 307 HB3 0.03 0.02 0.09 -0.04 2.02 2.12 1uv5A1 PRO 307 HG2 0.02 0.01 0.10 -0.04 2.03 2.12 1uv5A1 PRO 307 HG3 0.03 0.11 0.09 -0.04 2.03 2.22 1uv5A1 PRO 307 HD2 0.03 0.04 0.22 -0.04 3.68 3.93 1uv5A1 PRO 307 HD3 0.04 0.16 0.24 -0.04 3.65 4.05 1uv5A1 ARG 308 H 0.03 0.09 -0.10 -0.55 8.46 7.92 1uv5A1 ARG 308 HA 0.01 0.09 0.38 -0.75 4.34 4.07 1uv5A1 ARG 308 HB2 0.02 0.01 -0.00 -0.04 1.90 1.89 1uv5A1 ARG 308 HB3 0.01 -0.02 0.09 -0.04 1.80 1.84 1uv5A1 ARG 308 HG2 0.02 -0.02 0.04 -0.04 1.67 1.66 1uv5A1 ARG 308 HG3 0.02 0.01 0.03 -0.04 1.67 1.68 1uv5A1 ARG 308 HD2 0.01 -0.01 0.02 -0.04 3.22 3.20 1uv5A1 ARG 308 HD3 0.01 0.04 -0.04 -0.04 3.22 3.19 1uv5A1 THR 309 H 0.03 0.31 -0.71 -0.55 8.28 7.37 1uv5A1 THR 309 HA -0.04 0.01 0.37 -0.75 4.39 3.98 1uv5A1 THR 309 HB 0.01 0.12 0.01 -0.04 4.32 4.42 1uv5A1 THR 309 HG23 -0.38 -0.02 -0.12 -0.04 1.22 0.66 1uv5A1 PRO 310 HA -0.01 0.15 0.48 -0.51 4.44 4.54 1uv5A1 PRO 310 HB2 0.06 -0.20 0.16 -0.04 2.28 2.27 1uv5A1 PRO 310 HB3 0.05 0.03 0.15 -0.04 2.02 2.21 1uv5A1 PRO 310 HG2 0.08 -0.01 0.15 -0.04 2.03 2.21 1uv5A1 PRO 310 HG3 0.02 0.11 0.18 -0.04 2.03 2.29 1uv5A1 PRO 310 HD2 -0.06 0.04 0.22 -0.04 3.68 3.84 1uv5A1 PRO 310 HD3 -0.02 0.25 0.28 -0.04 3.65 4.12 1uv5A1 PRO 311 HA -0.05 0.13 0.43 -0.51 4.44 4.44 1uv5A1 PRO 311 HB2 -0.01 -0.06 0.11 -0.04 2.28 2.27 1uv5A1 PRO 311 HB3 -0.02 0.04 0.08 -0.04 2.02 2.08 1uv5A1 PRO 311 HG2 -0.01 0.03 0.11 -0.04 2.03 2.12 1uv5A1 PRO 311 HG3 -0.01 0.13 0.13 -0.04 2.03 2.25 1uv5A1 PRO 311 HD2 -0.01 0.04 0.25 -0.04 3.68 3.92 1uv5A1 PRO 311 HD3 -0.01 0.34 0.23 -0.04 3.65 4.17 1uv5A1 GLU 312 H 0.00 0.15 -0.20 -0.55 8.60 8.01 1uv5A1 GLU 312 HA 0.01 0.07 0.46 -0.75 4.29 4.08 1uv5A1 GLU 312 HB2 0.16 0.04 0.03 -0.04 2.09 2.28 1uv5A1 GLU 312 HB3 0.21 -0.06 -0.05 -0.04 1.99 2.04 1uv5A1 GLU 312 HG2 0.02 -0.02 -0.00 -0.04 2.34 2.30 1uv5A1 GLU 312 HG3 0.04 0.09 -0.08 -0.04 2.34 2.35 1uv5A1 ALA 313 H -0.16 0.28 -0.25 -0.55 8.40 7.73 1uv5A1 ALA 313 HA -1.33 0.02 0.39 -0.75 4.34 2.66 1uv5A1 ALA 313 HB3 -0.52 0.05 0.06 -0.04 1.41 0.97 1uv5A1 ILE 314 H -0.34 0.41 -0.17 -0.55 8.25 7.59 1uv5A1 ILE 314 HA -0.52 0.06 0.38 -0.75 4.18 3.34 1uv5A1 ILE 314 HB -0.16 0.10 0.06 -0.04 1.89 1.85 1uv5A1 ILE 314 HG12 -0.55 -0.02 -0.04 -0.04 1.49 0.83 1uv5A1 ILE 314 HG13 -0.26 0.12 -0.10 -0.04 1.21 0.93 1uv5A1 ILE 314 HG23 -0.04 -0.01 -0.15 -0.04 0.93 0.69 1uv5A1 ILE 314 HD13 0.11 0.02 -0.04 -0.04 0.88 0.94 1uv5A1 ALA 315 H -0.21 0.41 -0.19 -0.55 8.40 7.86 1uv5A1 ALA 315 HA -0.23 0.02 0.38 -0.75 4.34 3.76 1uv5A1 ALA 315 HB3 -0.01 0.01 0.11 -0.04 1.41 1.47 1uv5A1 LEU 316 H -0.40 0.63 -0.06 -0.55 8.37 7.99 1uv5A1 LEU 316 HA -0.55 -0.02 0.37 -0.75 4.35 3.39 1uv5A1 LEU 316 HB2 -0.80 0.09 0.18 -0.04 1.64 1.07 1uv5A1 LEU 316 HB3 -0.56 0.08 0.01 -0.04 1.64 1.13 1uv5A1 LEU 316 HG -1.01 -0.07 0.02 -0.04 1.64 0.53 1uv5A1 LEU 316 HD13 -0.22 0.00 -0.09 -0.04 0.93 0.58 1uv5A1 LEU 316 HD23 -0.42 -0.01 -0.01 -0.04 0.89 0.42 1uv5A1 CYS 317 H -0.49 0.53 -0.22 -0.55 8.50 7.78 1uv5A1 CYS 317 HA -0.28 -0.02 0.41 -0.75 4.58 3.94 1uv5A1 CYS 317 HB2 -0.65 0.17 0.18 -0.04 2.97 2.62 1uv5A1 CYS 317 HB3 -0.53 -0.02 -0.02 -0.04 2.97 2.36 1uv5A1 SER 318 H -0.70 0.52 -0.14 -0.55 8.46 7.60 1uv5A1 SER 318 HA -0.36 0.07 0.39 -0.75 4.49 3.83 1uv5A1 SER 318 HB2 -0.25 0.03 -0.06 -0.04 3.95 3.63 1uv5A1 SER 318 HB3 -0.24 -0.06 0.07 -0.04 3.93 3.66 1uv5A1 ARG 319 H -0.23 0.37 -0.35 -0.55 8.46 7.70 1uv5A1 ARG 319 HA -0.02 0.10 0.56 -0.75 4.34 4.22 1uv5A1 ARG 319 HB2 -0.11 0.06 0.11 -0.04 1.90 1.91 1uv5A1 ARG 319 HB3 -0.03 -0.10 0.09 -0.04 1.80 1.73 1uv5A1 ARG 319 HG2 -0.05 0.17 -0.05 -0.04 1.67 1.70 1uv5A1 ARG 319 HG3 0.03 -0.09 -0.04 -0.04 1.67 1.53 1uv5A1 ARG 319 HD2 -0.03 0.00 -0.17 -0.04 3.22 2.98 1uv5A1 ARG 319 HD3 0.00 -0.07 -0.05 -0.04 3.22 3.06 1uv5A1 LEU 320 H -0.14 0.31 -0.41 -0.55 8.37 7.58 1uv5A1 LEU 320 HA 0.00 0.00 0.62 -0.75 4.35 4.22 1uv5A1 LEU 320 HB2 -0.12 0.14 0.21 -0.04 1.64 1.83 1uv5A1 LEU 320 HB3 -0.05 -0.04 0.03 -0.04 1.64 1.54 1uv5A1 LEU 320 HG 0.17 -0.02 -0.07 -0.04 1.64 1.68 1uv5A1 LEU 320 HD13 -0.19 -0.01 -0.15 -0.04 0.93 0.55 1uv5A1 LEU 320 HD23 0.01 0.01 -0.17 -0.04 0.89 0.70 1uv5A1 LEU 321 H -0.09 0.82 0.14 -0.55 8.37 8.70 1uv5A1 LEU 321 HA -0.42 0.05 0.60 -0.75 4.35 3.82 1uv5A1 LEU 321 HB2 0.25 0.03 0.16 -0.04 1.64 2.04 1uv5A1 LEU 321 HB3 -0.54 -0.05 0.03 -0.04 1.64 1.04 1uv5A1 LEU 321 HG -0.20 0.06 0.07 -0.04 1.64 1.53 1uv5A1 LEU 321 HD13 0.12 -0.00 -0.10 -0.04 0.93 0.90 1uv5A1 LEU 321 HD23 -1.15 -0.02 -0.16 -0.04 0.89 -0.49 1uv5A1 GLU 322 H 0.30 0.41 -0.06 -0.55 8.60 8.71 1uv5A1 GLU 322 HA 0.17 0.17 0.86 -0.75 4.29 4.74 1uv5A1 GLU 322 HB2 0.19 0.05 -0.19 -0.04 2.09 2.11 1uv5A1 GLU 322 HB3 0.16 -0.17 -0.21 -0.04 1.99 1.73 1uv5A1 GLU 322 HG2 0.10 0.02 -0.58 -0.04 2.34 1.85 1uv5A1 GLU 322 HG3 0.10 0.20 -0.33 -0.04 2.34 2.27 1uv5A1 TYR 323 H 0.08 0.16 0.06 -0.55 8.29 8.03 1uv5A1 TYR 323 HA 0.09 0.05 0.26 -0.75 4.56 4.20 1uv5A1 TYR 323 HB2 0.07 -0.09 0.13 -0.04 3.06 3.13 1uv5A1 TYR 323 HB3 0.03 -0.04 -0.10 -0.04 2.98 2.83 1uv5A1 TYR 323 HD2 0.02 -0.04 -0.02 -0.04 7.15 7.08 1uv5A1 TYR 323 HE2 -0.04 0.13 -0.18 -0.04 6.85 6.72 1uv5A1 THR 324 H 0.22 0.04 -0.14 -0.55 8.28 7.84 1uv5A1 THR 324 HA 0.11 0.11 0.34 -0.75 4.39 4.20 1uv5A1 THR 324 HB 0.11 0.02 0.07 -0.04 4.32 4.48 1uv5A1 THR 324 HG23 0.07 -0.04 -0.11 -0.04 1.22 1.09 1uv5A1 PRO 325 HA 0.14 0.24 0.46 -0.51 4.44 4.78 1uv5A1 PRO 325 HB2 0.09 -0.05 0.01 -0.04 2.28 2.29 1uv5A1 PRO 325 HB3 0.11 -0.02 0.09 -0.04 2.02 2.16 1uv5A1 PRO 325 HG2 0.07 0.03 0.14 -0.04 2.03 2.23 1uv5A1 PRO 325 HG3 0.07 0.04 0.12 -0.04 2.03 2.22 1uv5A1 PRO 325 HD2 0.07 0.01 0.09 -0.04 3.68 3.82 1uv5A1 PRO 325 HD3 0.09 0.38 0.23 -0.04 3.65 4.31 1uv5A1 THR 326 H 0.07 0.11 -0.13 -0.55 8.28 7.78 1uv5A1 THR 326 HA 0.06 0.08 0.41 -0.75 4.39 4.19 1uv5A1 THR 326 HB 0.04 0.03 0.07 -0.04 4.32 4.43 1uv5A1 THR 326 HG23 0.04 -0.00 0.04 -0.04 1.22 1.25 1uv5A1 ALA 327 H 0.09 0.23 -0.59 -0.55 8.40 7.58 1uv5A1 ALA 327 HA 0.06 0.08 0.59 -0.75 4.34 4.32 1uv5A1 ALA 327 HB3 0.09 -0.01 0.02 -0.04 1.41 1.46 1uv5A1 ARG 328 H 0.10 0.32 -0.44 -0.55 8.46 7.88 1uv5A1 ARG 328 HA 0.08 0.25 0.63 -0.75 4.34 4.55 1uv5A1 ARG 328 HB2 0.13 -0.04 0.15 -0.04 1.90 2.10 1uv5A1 ARG 328 HB3 0.12 -0.00 0.10 -0.04 1.80 1.99 1uv5A1 ARG 328 HG2 0.20 0.03 0.03 -0.04 1.67 1.90 1uv5A1 ARG 328 HG3 0.18 0.03 -0.01 -0.04 1.67 1.83 1uv5A1 ARG 328 HD2 0.22 -0.10 0.11 -0.04 3.22 3.41 1uv5A1 ARG 328 HD3 0.33 -0.02 0.08 -0.04 3.22 3.57 1uv5A1 LEU 329 H 0.02 0.53 0.21 -0.55 8.37 8.58 1uv5A1 LEU 329 HA 0.01 -0.02 0.29 -0.75 4.35 3.87 1uv5A1 LEU 329 HB2 -0.06 0.08 -0.01 -0.04 1.64 1.61 1uv5A1 LEU 329 HB3 -0.10 0.05 -0.20 -0.04 1.64 1.36 1uv5A1 LEU 329 HG -0.03 -0.06 -0.22 -0.04 1.64 1.28 1uv5A1 LEU 329 HD13 0.01 0.01 -0.02 -0.04 0.93 0.89 1uv5A1 LEU 329 HD23 -0.04 -0.01 -0.09 -0.04 0.89 0.70 1uv5A1 THR 330 H 0.01 0.02 0.13 -0.55 8.28 7.89 1uv5A1 THR 330 HA 0.07 0.24 0.67 -0.75 4.39 4.62 1uv5A1 THR 330 HB 0.07 0.01 0.14 -0.04 4.32 4.50 1uv5A1 THR 330 HG23 0.04 0.04 0.05 -0.04 1.22 1.32 1uv5A1 PRO 331 HA -0.02 0.12 0.40 -0.51 4.44 4.43 1uv5A1 PRO 331 HB2 0.07 0.11 0.01 -0.04 2.28 2.44 1uv5A1 PRO 331 HB3 0.17 0.02 0.06 -0.04 2.02 2.22 1uv5A1 PRO 331 HG2 0.10 -0.00 0.08 -0.04 2.03 2.17 1uv5A1 PRO 331 HG3 0.04 0.09 -0.13 -0.04 2.03 1.99 1uv5A1 PRO 331 HD2 0.17 0.11 0.20 -0.04 3.68 4.12 1uv5A1 PRO 331 HD3 0.20 0.16 0.06 -0.04 3.65 4.03 1uv5A1 LEU 332 H 0.03 0.16 -0.11 -0.55 8.37 7.90 1uv5A1 LEU 332 HA -0.01 0.12 0.36 -0.75 4.35 4.06 1uv5A1 LEU 332 HB2 0.02 -0.01 0.08 -0.04 1.64 1.69 1uv5A1 LEU 332 HB3 -0.02 0.04 -0.07 -0.04 1.64 1.54 1uv5A1 LEU 332 HG -0.13 0.02 -0.05 -0.04 1.64 1.44 1uv5A1 LEU 332 HD13 0.04 -0.00 -0.04 -0.04 0.93 0.89 1uv5A1 LEU 332 HD23 -0.02 0.02 -0.04 -0.04 0.89 0.81 1uv5A1 GLU 333 H -0.03 0.04 -0.37 -0.55 8.60 7.70 1uv5A1 GLU 333 HA -0.01 0.09 0.35 -0.75 4.29 3.97 1uv5A1 GLU 333 HB2 -0.03 0.04 0.03 -0.04 2.09 2.10 1uv5A1 GLU 333 HB3 -0.01 0.04 -0.02 -0.04 1.99 1.97 1uv5A1 GLU 333 HG2 -0.01 0.06 -0.01 -0.04 2.34 2.34 1uv5A1 GLU 333 HG3 -0.01 -0.08 0.01 -0.04 2.34 2.22 1uv5A1 ALA 334 H -0.16 0.36 -0.46 -0.55 8.40 7.60 1uv5A1 ALA 334 HA -0.15 -0.01 0.38 -0.75 4.34 3.80 1uv5A1 ALA 334 HB3 -1.01 0.04 0.01 -0.04 1.41 0.41 1uv5A1 CYS 335 H -0.10 0.37 -0.13 -0.55 8.50 8.10 1uv5A1 CYS 335 HA -0.13 -0.00 0.36 -0.75 4.58 4.05 1uv5A1 CYS 335 HB2 -0.06 0.10 0.10 -0.04 2.97 3.06 1uv5A1 CYS 335 HB3 -0.24 0.05 0.01 -0.04 2.97 2.75 1uv5A1 ALA 336 H 0.06 0.29 -0.45 -0.55 8.40 7.75 1uv5A1 ALA 336 HA 0.15 0.15 0.36 -0.75 4.34 4.24 1uv5A1 ALA 336 HB3 0.02 -0.03 0.05 -0.04 1.41 1.41 1uv5A1 HIS 337 H 0.34 0.46 -0.71 -0.55 8.41 7.95 1uv5A1 HIS 337 HA 0.02 0.05 0.51 -0.75 4.63 4.46 1uv5A1 HIS 337 HB2 -0.01 0.10 0.13 -0.04 3.26 3.45 1uv5A1 HIS 337 HB3 0.04 0.08 0.11 -0.04 3.20 3.38 1uv5A1 HIS 337 HD2 -0.08 0.07 -0.02 -0.04 6.97 6.90 1uv5A1 HIS 337 HE1 -0.10 0.03 0.08 -0.04 7.75 7.72 1uv5A1 SER 338 H -0.60 0.12 0.15 -0.55 8.46 7.59 1uv5A1 SER 338 HA -0.00 0.19 0.32 -0.75 4.49 4.24 1uv5A1 SER 338 HB2 -0.07 -0.07 -0.04 -0.04 3.95 3.73 1uv5A1 SER 338 HB3 -0.05 0.00 0.07 -0.04 3.93 3.91 1uv5A1 PHE 339 H 0.77 0.10 -0.28 -0.55 8.34 8.37 1uv5A1 PHE 339 HA -0.10 -0.04 0.33 -0.75 4.62 4.06 1uv5A1 PHE 339 HB2 -0.23 0.02 -0.13 -0.04 3.15 2.77 1uv5A1 PHE 339 HB3 -0.67 0.09 -0.07 -0.04 3.06 2.37 1uv5A1 PHE 339 HD2 -0.84 -0.03 -0.13 -0.04 7.28 6.25 1uv5A1 PHE 339 HE2 -0.06 0.01 -0.09 -0.04 7.38 7.20 1uv5A1 PHE 339 HZ -0.08 -0.00 -0.06 -0.04 7.32 7.14 1uv5A1 PHE 340 H 0.07 0.48 -0.58 -0.55 8.34 7.76 1uv5A1 PHE 340 HA -0.16 0.05 0.71 -0.75 4.62 4.47 1uv5A1 PHE 340 HB2 0.25 0.37 0.08 -0.04 3.15 3.82 1uv5A1 PHE 340 HB3 0.25 -0.04 0.17 -0.04 3.06 3.39 1uv5A1 PHE 340 HD2 0.12 0.12 0.02 -0.04 7.28 7.49 1uv5A1 PHE 340 HE2 0.24 0.00 -0.10 -0.04 7.38 7.48 1uv5A1 PHE 340 HZ 0.54 -0.06 -0.21 -0.04 7.32 7.55 1uv5A1 ASP 341 H 0.01 0.54 -0.38 -0.55 8.40 8.02 1uv5A1 ASP 341 HA 0.07 0.20 0.40 -0.75 4.63 4.55 1uv5A1 ASP 341 HB2 -0.01 0.02 0.14 -0.04 2.71 2.82 1uv5A1 ASP 341 HB3 -0.00 -0.06 -0.03 -0.04 2.70 2.57 1uv5A1 GLU 342 H -0.06 0.17 -0.09 -0.55 8.60 8.07 1uv5A1 GLU 342 HA -0.03 0.02 0.38 -0.75 4.29 3.91 1uv5A1 GLU 342 HB2 -0.09 -0.01 0.11 -0.04 2.09 2.05 1uv5A1 GLU 342 HB3 -0.11 0.02 0.04 -0.04 1.99 1.90 1uv5A1 GLU 342 HG2 -0.07 0.05 -0.12 -0.04 2.34 2.16 1uv5A1 GLU 342 HG3 -0.06 -0.03 0.06 -0.04 2.34 2.27 1uv5A1 LEU 343 H 0.00 0.12 -0.40 -0.55 8.37 7.55 1uv5A1 LEU 343 HA -0.01 0.01 0.33 -0.75 4.35 3.92 1uv5A1 LEU 343 HB2 -0.02 0.24 -0.00 -0.04 1.64 1.81 1uv5A1 LEU 343 HB3 -0.15 0.00 -0.00 -0.04 1.64 1.44 1uv5A1 LEU 343 HG 0.01 -0.10 -0.02 -0.04 1.64 1.48 1uv5A1 LEU 343 HD13 -0.23 0.01 -0.19 -0.04 0.93 0.48 1uv5A1 LEU 343 HD23 -0.10 -0.02 -0.09 -0.04 0.89 0.64 1uv5A1 ARG 344 H 0.07 0.40 -0.42 -0.55 8.46 7.96 1uv5A1 ARG 344 HA 0.09 0.11 0.54 -0.75 4.34 4.32 1uv5A1 ARG 344 HB2 0.02 0.04 0.16 -0.04 1.90 2.08 1uv5A1 ARG 344 HB3 -0.08 -0.11 0.06 -0.04 1.80 1.63 1uv5A1 ARG 344 HG2 -0.46 0.02 0.05 -0.04 1.67 1.24 1uv5A1 ARG 344 HG3 0.10 -0.06 -0.05 -0.04 1.67 1.61 1uv5A1 ARG 344 HD2 -0.06 -0.05 -0.01 -0.04 3.22 3.05 1uv5A1 ARG 344 HD3 0.03 0.19 0.07 -0.04 3.22 3.47 1uv5A1 ASP 345 H 0.05 0.27 -0.24 -0.55 8.40 7.93 1uv5A1 ASP 345 HA 0.01 -0.01 0.41 -0.75 4.63 4.29 1uv5A1 ASP 345 HB2 0.01 0.27 0.28 -0.04 2.71 3.22 1uv5A1 ASP 345 HB3 0.00 -0.24 0.07 -0.04 2.70 2.48 1uv5A1 PRO 346 HA -0.30 0.18 0.43 -0.51 4.44 4.25 1uv5A1 PRO 346 HB2 -0.21 -0.06 0.09 -0.04 2.28 2.06 1uv5A1 PRO 346 HB3 -0.58 0.03 0.13 -0.04 2.02 1.56 1uv5A1 PRO 346 HG2 -0.20 -0.04 0.12 -0.04 2.03 1.87 1uv5A1 PRO 346 HG3 -0.52 0.11 0.14 -0.04 2.03 1.72 1uv5A1 PRO 346 HD2 -0.08 -0.02 0.23 -0.04 3.68 3.77 1uv5A1 PRO 346 HD3 -0.03 0.16 0.26 -0.04 3.65 4.01 1uv5A1 ASN 347 H -0.05 -0.03 -0.21 -0.55 8.53 7.69 1uv5A1 ASN 347 HA -0.04 0.16 0.56 -0.75 4.76 4.70 1uv5A1 ASN 347 HB2 -0.03 -0.04 -0.01 -0.04 2.88 2.75 1uv5A1 ASN 347 HB3 -0.03 -0.00 -0.00 -0.04 2.79 2.71 1uv5A1 ASN 347 HD21 -0.05 0.00 0.02 -0.04 7.03 6.96 1uv5A1 ASN 347 HD22 -0.04 -0.01 0.04 -0.04 7.74 7.69 1uv5A1 VAL 348 H -0.01 -0.01 -0.19 -0.55 8.24 7.48 1uv5A1 VAL 348 HA -0.03 -0.15 0.31 -0.75 4.13 3.50 1uv5A1 VAL 348 HB 0.00 0.05 0.09 -0.04 2.12 2.22 1uv5A1 VAL 348 HG13 0.05 0.09 -0.09 -0.04 0.97 0.98 1uv5A1 VAL 348 HG23 -0.05 -0.05 -0.14 -0.04 0.95 0.67 1uv5A1 LYS 349 H -0.05 0.15 0.15 -0.55 8.42 8.12 1uv5A1 LYS 349 HA -0.03 0.13 0.65 -0.75 4.32 4.32 1uv5A1 LYS 349 HB2 -0.03 -0.16 -0.01 -0.04 1.87 1.64 1uv5A1 LYS 349 HB3 -0.02 0.05 -0.07 -0.04 1.79 1.71 1uv5A1 LYS 349 HG2 -0.02 0.41 -0.27 -0.04 1.46 1.55 1uv5A1 LYS 349 HG3 -0.02 -0.14 -0.03 -0.04 1.46 1.23 1uv5A1 LYS 349 HD2 -0.01 0.12 -0.12 -0.04 1.69 1.64 1uv5A1 LYS 349 HD3 -0.01 -0.03 0.09 -0.04 1.68 1.68 1uv5A1 LYS 349 HE2 -0.00 -0.15 0.04 -0.04 2.99 2.83 1uv5A1 LYS 349 HE3 -0.00 0.23 0.07 -0.04 2.99 3.25 1uv5A1 LEU 350 H -0.03 0.60 -0.01 -0.55 8.37 8.39 1uv5A1 LEU 350 HA -0.10 0.05 0.34 -0.75 4.35 3.88 1uv5A1 LEU 350 HB2 0.01 -0.09 -0.10 -0.04 1.64 1.42 1uv5A1 LEU 350 HB3 0.04 -0.07 0.05 -0.04 1.64 1.61 1uv5A1 LEU 350 HG -0.01 0.14 -0.38 -0.04 1.64 1.36 1uv5A1 LEU 350 HD13 0.04 0.01 -0.10 -0.04 0.93 0.85 1uv5A1 LEU 350 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.78 1uv5A1 PRO 351 HA -0.06 0.12 0.45 -0.51 4.44 4.45 1uv5A1 PRO 351 HB2 0.05 0.03 0.02 -0.04 2.28 2.33 1uv5A1 PRO 351 HB3 -0.04 0.01 0.13 -0.04 2.02 2.08 1uv5A1 PRO 351 HG2 -0.53 0.00 0.08 -0.04 2.03 1.54 1uv5A1 PRO 351 HG3 -0.31 0.03 0.09 -0.04 2.03 1.79 1uv5A1 PRO 351 HD2 -0.02 0.12 0.17 -0.04 3.68 3.90 1uv5A1 PRO 351 HD3 -0.32 0.13 0.18 -0.04 3.65 3.60 1uv5A1 ASN 352 H 0.03 0.10 -0.47 -0.55 8.53 7.65 1uv5A1 ASN 352 HA 0.03 0.18 0.72 -0.75 4.76 4.93 1uv5A1 ASN 352 HB2 0.03 -0.00 0.18 -0.04 2.88 3.05 1uv5A1 ASN 352 HB3 0.06 0.00 0.05 -0.04 2.79 2.86 1uv5A1 ASN 352 HD21 0.06 0.30 0.10 -0.04 7.03 7.45 1uv5A1 ASN 352 HD22 0.08 -0.03 0.07 -0.04 7.74 7.82 1uv5A1 GLY 353 H -0.01 0.37 -0.64 -0.55 8.43 7.61 1uv5A1 GLY 353 HA2 -0.01 0.04 0.28 -0.51 4.01 3.81 1uv5A1 GLY 353 HA3 -0.00 -0.02 0.25 -0.51 4.01 3.73 1uv5A1 ARG 354 H 0.01 0.12 -0.79 -0.55 8.46 7.24 1uv5A1 ARG 354 HA -0.00 0.05 0.47 -0.75 4.34 4.10 1uv5A1 ARG 354 HB2 0.01 0.00 0.09 -0.04 1.90 1.96 1uv5A1 ARG 354 HB3 0.01 0.01 0.00 -0.04 1.80 1.78 1uv5A1 ARG 354 HG2 -0.00 0.12 0.10 -0.04 1.67 1.85 1uv5A1 ARG 354 HG3 0.00 -0.07 0.10 -0.04 1.67 1.66 1uv5A1 ARG 354 HD2 0.01 0.13 -0.03 -0.04 3.22 3.29 1uv5A1 ARG 354 HD3 0.00 -0.08 -0.02 -0.04 3.22 3.09 1uv5A1 ASP 355 H -0.01 0.02 0.16 -0.55 8.40 8.02 1uv5A1 ASP 355 HA -0.02 0.18 0.59 -0.75 4.63 4.63 1uv5A1 ASP 355 HB2 -0.02 -0.09 0.07 -0.04 2.71 2.64 1uv5A1 ASP 355 HB3 -0.02 0.15 0.11 -0.04 2.70 2.90 1uv5A1 THR 356 H -0.04 0.19 0.17 -0.55 8.28 8.05 1uv5A1 THR 356 HA -0.04 0.09 0.55 -0.75 4.39 4.23 1uv5A1 THR 356 HB -0.12 0.01 0.03 -0.04 4.32 4.20 1uv5A1 THR 356 HG23 -0.06 -0.00 -0.16 -0.04 1.22 0.96 1uv5A1 PRO 357 HA -0.07 0.01 0.35 -0.51 4.44 4.21 1uv5A1 PRO 357 HB2 -0.08 0.09 -0.05 -0.04 2.28 2.20 1uv5A1 PRO 357 HB3 -0.05 -0.11 0.06 -0.04 2.02 1.88 1uv5A1 PRO 357 HG2 0.01 0.13 -0.22 -0.04 2.03 1.91 1uv5A1 PRO 357 HG3 -0.00 0.59 0.06 -0.04 2.03 2.64 1uv5A1 PRO 357 HD2 -0.08 0.06 0.09 -0.04 3.68 3.72 1uv5A1 PRO 357 HD3 -0.03 0.13 0.24 -0.04 3.65 3.94 1uv5A1 ALA 358 H -0.11 0.04 0.12 -0.55 8.40 7.91 1uv5A1 ALA 358 HA -0.22 0.08 0.54 -0.75 4.34 3.99 1uv5A1 ALA 358 HB3 -0.15 -0.02 0.10 -0.04 1.41 1.30 1uv5A1 LEU 359 H -0.51 -0.09 0.24 -0.55 8.37 7.46 1uv5A1 LEU 359 HA -0.16 0.14 0.73 -0.75 4.35 4.31 1uv5A1 LEU 359 HB2 -1.35 0.09 -0.08 -0.04 1.64 0.27 1uv5A1 LEU 359 HB3 -0.67 -0.00 0.02 -0.04 1.64 0.94 1uv5A1 LEU 359 HG -0.39 0.06 -0.88 -0.04 1.64 0.38 1uv5A1 LEU 359 HD13 -0.43 0.00 -0.11 -0.04 0.93 0.35 1uv5A1 LEU 359 HD23 -0.26 0.02 -0.08 -0.04 0.89 0.53 1uv5A1 PHE 360 H -0.40 -0.13 0.20 -0.55 8.34 7.45 1uv5A1 PHE 360 HA 0.12 0.33 0.97 -0.75 4.62 5.28 1uv5A1 PHE 360 HB2 -0.02 -0.01 0.00 -0.04 3.15 3.08 1uv5A1 PHE 360 HB3 0.07 0.06 0.14 -0.04 3.06 3.30 1uv5A1 PHE 360 HD2 0.03 0.08 -0.16 -0.04 7.28 7.19 1uv5A1 PHE 360 HE2 -0.06 0.02 -0.10 -0.04 7.38 7.20 1uv5A1 PHE 360 HZ -0.05 0.47 -0.02 -0.04 7.32 7.68 1uv5A1 ASN 361 H -0.14 -0.06 -0.04 -0.55 8.53 7.74 1uv5A1 ASN 361 HA 0.04 0.20 0.43 -0.75 4.76 4.67 1uv5A1 ASN 361 HB2 -0.07 0.01 0.15 -0.04 2.88 2.94 1uv5A1 ASN 361 HB3 -0.06 0.03 0.10 -0.04 2.79 2.83 1uv5A1 ASN 361 HD21 -0.19 -0.03 -0.02 -0.04 7.03 6.75 1uv5A1 ASN 361 HD22 -0.13 0.02 0.04 -0.04 7.74 7.63 1uv5A1 PHE 362 H 0.22 0.82 -0.21 -0.55 8.34 8.62 1uv5A1 PHE 362 HA 0.08 -0.04 0.34 -0.75 4.62 4.24 1uv5A1 PHE 362 HB2 0.08 0.09 0.05 -0.04 3.15 3.33 1uv5A1 PHE 362 HB3 0.08 -0.02 -0.10 -0.04 3.06 2.98 1uv5A1 PHE 362 HD2 0.14 0.03 -0.07 -0.04 7.28 7.33 1uv5A1 PHE 362 HE2 0.20 0.07 -0.04 -0.04 7.38 7.58 1uv5A1 PHE 362 HZ 0.07 0.00 -0.05 -0.04 7.32 7.30 1uv5A1 THR 363 H 0.19 0.04 0.18 -0.55 8.28 8.13 1uv5A1 THR 363 HA 0.09 0.24 0.72 -0.75 4.39 4.69 1uv5A1 THR 363 HB 0.07 0.05 0.15 -0.04 4.32 4.55 1uv5A1 THR 363 HG23 0.07 0.05 0.09 -0.04 1.22 1.40 1uv5A1 THR 364 H 0.07 0.19 0.14 -0.55 8.28 8.13 1uv5A1 THR 364 HA 0.06 0.13 0.31 -0.75 4.39 4.15 1uv5A1 THR 364 HB 0.04 -0.04 0.12 -0.04 4.32 4.40 1uv5A1 THR 364 HG23 0.03 0.01 -0.06 -0.04 1.22 1.16 1uv5A1 GLN 365 H 0.07 0.07 -0.13 -0.55 8.47 7.93 1uv5A1 GLN 365 HA 0.03 0.08 0.35 -0.75 4.36 4.08 1uv5A1 GLN 365 HB2 0.09 0.06 -0.02 -0.04 2.15 2.24 1uv5A1 GLN 365 HB3 0.02 0.07 0.07 -0.04 2.02 2.14 1uv5A1 GLN 365 HG2 0.04 0.04 0.06 -0.04 2.40 2.50 1uv5A1 GLN 365 HG3 0.07 -0.18 0.09 -0.04 2.39 2.33 1uv5A1 GLN 365 HE21 0.07 0.05 0.02 -0.04 6.97 7.06 1uv5A1 GLN 365 HE22 0.04 -0.01 0.02 -0.04 7.69 7.71 1uv5A1 GLU 366 H 0.16 0.00 -0.34 -0.55 8.60 7.87 1uv5A1 GLU 366 HA 0.20 0.06 0.31 -0.75 4.29 4.11 1uv5A1 GLU 366 HB2 0.29 -0.01 0.18 -0.04 2.09 2.50 1uv5A1 GLU 366 HB3 0.45 0.06 -0.08 -0.04 1.99 2.38 1uv5A1 GLU 366 HG2 0.41 0.04 0.04 -0.04 2.34 2.79 1uv5A1 GLU 366 HG3 0.31 -0.04 0.07 -0.04 2.34 2.64 1uv5A1 LEU 367 H 0.10 0.41 -0.24 -0.55 8.37 8.09 1uv5A1 LEU 367 HA -0.02 0.11 0.64 -0.75 4.35 4.33 1uv5A1 LEU 367 HB2 0.01 0.08 0.00 -0.04 1.64 1.69 1uv5A1 LEU 367 HB3 -0.06 -0.06 0.02 -0.04 1.64 1.50 1uv5A1 LEU 367 HG 0.03 -0.03 -0.14 -0.04 1.64 1.47 1uv5A1 LEU 367 HD13 -0.08 0.01 -0.05 -0.04 0.93 0.77 1uv5A1 LEU 367 HD23 -0.56 0.01 -0.14 -0.04 0.89 0.16 1uv5A1 SER 368 H 0.03 0.43 -0.26 -0.55 8.46 8.11 1uv5A1 SER 368 HA 0.00 0.00 0.38 -0.75 4.49 4.12 1uv5A1 SER 368 HB2 0.00 -0.07 0.10 -0.04 3.95 3.93 1uv5A1 SER 368 HB3 0.01 0.06 0.13 -0.04 3.93 4.10 1uv5A1 SER 369 H 0.01 0.19 -0.45 -0.55 8.46 7.68 1uv5A1 SER 369 HA 0.00 0.09 0.50 -0.75 4.49 4.33 1uv5A1 SER 369 HB2 0.02 -0.04 0.11 -0.04 3.95 4.00 1uv5A1 SER 369 HB3 0.02 0.03 0.08 -0.04 3.93 4.01 1uv5A1 ASN 370 H -0.01 0.56 -0.46 -0.55 8.53 8.07 1uv5A1 ASN 370 HA -0.01 0.07 0.45 -0.75 4.76 4.52 1uv5A1 ASN 370 HB2 -0.00 0.19 -0.26 -0.04 2.88 2.76 1uv5A1 ASN 370 HB3 -0.02 -0.07 -0.06 -0.04 2.79 2.59 1uv5A1 ASN 370 HD21 -0.01 0.00 -0.02 -0.04 7.03 6.96 1uv5A1 ASN 370 HD22 -0.01 -0.06 -0.04 -0.04 7.74 7.59 1uv5A1 PRO 371 HA -0.03 0.05 0.39 -0.51 4.44 4.34 1uv5A1 PRO 371 HB2 -0.01 0.02 0.10 -0.04 2.28 2.34 1uv5A1 PRO 371 HB3 -0.01 -0.01 0.05 -0.04 2.02 2.01 1uv5A1 PRO 371 HG2 -0.01 0.01 0.08 -0.04 2.03 2.08 1uv5A1 PRO 371 HG3 -0.01 0.03 0.08 -0.04 2.03 2.09 1uv5A1 PRO 371 HD2 -0.01 0.07 0.07 -0.04 3.68 3.77 1uv5A1 PRO 371 HD3 -0.01 0.29 -0.15 -0.04 3.65 3.73 1uv5A1 PRO 372 HA -0.02 0.03 0.35 -0.51 4.44 4.29 1uv5A1 PRO 372 HB2 -0.02 0.05 -0.06 -0.04 2.28 2.21 1uv5A1 PRO 372 HB3 -0.02 0.02 0.05 -0.04 2.02 2.03 1uv5A1 PRO 372 HG2 -0.01 0.05 -0.01 -0.04 2.03 2.02 1uv5A1 PRO 372 HG3 -0.01 0.02 0.04 -0.04 2.03 2.04 1uv5A1 PRO 372 HD2 -0.02 0.03 -0.45 -0.04 3.68 3.20 1uv5A1 PRO 372 HD3 -0.01 0.11 0.05 -0.04 3.65 3.76 1uv5A1 LEU 373 H -0.04 0.64 -0.34 -0.55 8.37 8.08 1uv5A1 LEU 373 HA -0.04 0.04 0.39 -0.75 4.35 3.98 1uv5A1 LEU 373 HB2 -0.10 0.15 0.03 -0.04 1.64 1.68 1uv5A1 LEU 373 HB3 -0.10 -0.03 -0.01 -0.04 1.64 1.46 1uv5A1 LEU 373 HG -0.04 0.01 0.00 -0.04 1.64 1.57 1uv5A1 LEU 373 HD13 -0.04 -0.00 -0.17 -0.04 0.93 0.67 1uv5A1 LEU 373 HD23 -0.03 -0.00 -0.04 -0.04 0.89 0.78 1uv5A1 ALA 374 H -0.06 0.85 -0.10 -0.55 8.40 8.53 1uv5A1 ALA 374 HA -0.11 -0.03 0.40 -0.75 4.34 3.84 1uv5A1 ALA 374 HB3 -0.04 -0.00 0.10 -0.04 1.41 1.43 1uv5A1 THR 375 H -0.04 0.30 -0.27 -0.55 8.28 7.72 1uv5A1 THR 375 HA -0.03 0.10 0.26 -0.75 4.39 3.97 1uv5A1 THR 375 HB -0.02 -0.04 0.09 -0.04 4.32 4.31 1uv5A1 THR 375 HG23 -0.02 0.04 0.06 -0.04 1.22 1.26 1uv5A1 ILE 376 H -0.04 0.45 -0.48 -0.55 8.25 7.62 1uv5A1 ILE 376 HA -0.03 0.20 1.01 -0.75 4.18 4.61 1uv5A1 ILE 376 HB -0.01 0.00 0.06 -0.04 1.89 1.91 1uv5A1 ILE 376 HG12 -0.02 -0.01 -0.06 -0.04 1.49 1.36 1uv5A1 ILE 376 HG13 -0.02 -0.07 -0.22 -0.04 1.21 0.85 1uv5A1 ILE 376 HG23 0.02 0.02 -0.10 -0.04 0.93 0.84 1uv5A1 ILE 376 HD13 -0.01 -0.01 -0.03 -0.04 0.88 0.79 1uv5A1 LEU 377 H -0.06 0.53 0.15 -0.55 8.37 8.44 1uv5A1 LEU 377 HA 0.09 0.04 0.31 -0.75 4.35 4.03 1uv5A1 LEU 377 HB2 -0.22 -0.06 0.08 -0.04 1.64 1.40 1uv5A1 LEU 377 HB3 -0.31 -0.03 -0.04 -0.04 1.64 1.22 1uv5A1 LEU 377 HG -0.14 0.05 -0.06 -0.04 1.64 1.46 1uv5A1 LEU 377 HD13 -0.72 -0.04 -0.11 -0.04 0.93 0.02 1uv5A1 LEU 377 HD23 0.09 0.01 -0.18 -0.04 0.89 0.77 1uv5A1 ILE 378 H -0.03 0.38 0.07 -0.55 8.25 8.12 1uv5A1 ILE 378 HA -0.05 0.07 0.62 -0.75 4.18 4.06 1uv5A1 ILE 378 HB -0.01 0.01 0.16 -0.04 1.89 2.01 1uv5A1 ILE 378 HG12 0.15 0.04 0.07 -0.04 1.49 1.70 1uv5A1 ILE 378 HG13 0.27 -0.04 0.01 -0.04 1.21 1.42 1uv5A1 ILE 378 HG23 -0.03 0.04 -0.16 -0.04 0.93 0.74 1uv5A1 ILE 378 HD13 0.07 -0.05 0.05 -0.04 0.88 0.91 1uv5A1 PRO 379 HA -0.17 0.08 0.23 -0.51 4.44 4.07 1uv5A1 PRO 379 HB2 -0.77 -0.08 -0.14 -0.04 2.28 1.25 1uv5A1 PRO 379 HB3 -0.21 0.04 0.11 -0.04 2.02 1.91 1uv5A1 PRO 379 HG2 -1.54 0.03 0.07 -0.04 2.03 0.55 1uv5A1 PRO 379 HG3 -0.70 0.08 0.09 -0.04 2.03 1.45 1uv5A1 PRO 379 HD2 -0.76 0.00 0.08 -0.04 3.68 2.96 1uv5A1 PRO 379 HD3 -0.87 0.32 0.39 -0.04 3.65 3.45 1uv5A1 PRO 380 HA -0.02 0.10 0.44 -0.51 4.44 4.45 1uv5A1 PRO 380 HB2 0.07 -0.05 0.11 -0.04 2.28 2.37 1uv5A1 PRO 380 HB3 0.02 -0.02 0.10 -0.04 2.02 2.07 1uv5A1 PRO 380 HG2 0.01 -0.03 0.09 -0.04 2.03 2.06 1uv5A1 PRO 380 HG3 -0.01 0.07 0.09 -0.04 2.03 2.14 1uv5A1 PRO 380 HD2 0.10 0.06 0.18 -0.04 3.68 3.97 1uv5A1 PRO 380 HD3 -0.04 0.17 0.18 -0.04 3.65 3.93 1uv5A1 HIS 381 H 0.30 0.11 -0.14 -0.55 8.41 8.14 1uv5A1 HIS 381 HA -0.01 0.05 0.47 -0.75 4.63 4.38 1uv5A1 HIS 381 HB2 0.00 -0.01 0.15 -0.04 3.26 3.36 1uv5A1 HIS 381 HB3 -0.01 -0.08 0.10 -0.04 3.20 3.17 1uv5A1 HIS 381 HD2 0.04 -0.03 0.08 -0.04 6.97 7.02 1uv5A1 HIS 381 HE1 -0.08 0.46 0.04 -0.04 7.75 8.12 1uv5A1 ALA 382 H -0.04 0.70 -0.27 -0.55 8.40 8.24 1uv5A1 ALA 382 HA -0.02 -0.15 0.21 -0.75 4.34 3.63 1uv5A1 ALA 382 HB3 -0.12 0.03 -0.16 -0.04 1.41 1.12