============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 11 0.840 -87.627 57.775 117.401 -99.200 -91.000 TRP 34 1.040 -79.117 57.900 149.440 -99.200 -91.000 TRP6 34 1.020 -79.753 60.076 148.765 -99.200 -91.000 PHE 57 1.000 -85.499 59.892 124.637 -99.200 -91.000 TYR 97 0.840 -86.285 75.219 116.811 -99.200 -91.000 HIS 98 0.900 -87.788 78.053 121.659 -99.200 -91.000 PHE 104 1.000 -76.614 77.723 122.105 -99.200 -91.000 HIS 106 0.900 -74.487 85.338 129.715 -99.200 -91.000 TRP 127 1.040 -69.284 88.501 101.701 -99.200 -91.000 TRP6 127 1.020 -71.583 87.957 101.520 -99.200 -91.000 TYR 135 0.840 -75.960 87.778 109.650 -99.200 -91.000 PHE 138 1.000 -82.144 85.640 112.247 -99.200 -91.000 PHE 144 1.000 -85.149 87.854 118.055 -99.200 -91.000 TYR 161 0.840 -66.474 98.034 114.088 -99.200 -91.000 TYR 172 0.840 -74.206 84.392 122.110 -99.200 -91.000 HIS 182 0.900 -70.986 84.601 107.661 -99.200 -91.000 PHE 190 1.000 -67.836 97.501 94.114 -99.200 -91.000 HIS 197 0.900 -62.451 89.749 90.978 -99.200 -91.000 PHE 200 1.000 -62.205 84.661 101.289 -99.200 -91.000 HIS 248 0.900 -54.257 94.569 145.916 -99.200 -91.000 TYR 279 0.840 -60.766 100.638 135.748 -99.200 -91.000 TRP 302 1.040 -58.311 84.489 99.400 -99.200 -91.000 TRP6 302 1.020 -59.075 84.608 97.165 -99.200 -91.000 TYR 309 0.840 -74.005 83.700 102.988 -99.200 -91.000 TYR 315 0.840 -73.876 77.579 94.427 -99.200 -91.000 HIS 319 0.900 -67.774 75.223 102.026 -99.200 -91.000 HIS 326 0.900 -80.196 73.975 94.740 -99.200 -91.000 TRP 341 1.040 -85.020 75.655 112.025 -99.200 -91.000 TRP6 341 1.020 -86.569 73.867 111.940 -99.200 -91.000 TRP 346 1.040 -70.434 71.192 112.120 -99.200 -91.000 TRP6 346 1.020 -69.017 72.987 112.734 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2x9rY1 LEU 6 HA 0.03 0.02 0.18 -0.75 4.35 3.82 2x9rY1 LEU 6 HB2 0.02 0.01 -0.03 -0.04 1.64 1.60 2x9rY1 LEU 6 HB3 0.02 -0.03 0.07 -0.04 1.64 1.66 2x9rY1 LEU 6 HG 0.01 0.02 0.03 -0.04 1.64 1.66 2x9rY1 LEU 6 HD13 0.01 0.01 -0.00 -0.04 0.93 0.90 2x9rY1 LEU 6 HD23 0.01 0.01 0.02 -0.04 0.89 0.90 2x9rY1 ALA 7 H 0.04 0.34 0.08 -0.55 8.40 8.31 2x9rY1 ALA 7 HA 0.07 0.03 0.37 -0.75 4.34 4.06 2x9rY1 ALA 7 HB3 0.06 0.03 0.14 -0.04 1.41 1.59 2x9rY1 GLN 8 H 0.07 0.19 -0.99 -0.55 8.47 7.19 2x9rY1 GLN 8 HA 0.12 0.06 0.78 -0.75 4.36 4.56 2x9rY1 GLN 8 HB2 0.07 0.03 -0.09 -0.04 2.15 2.13 2x9rY1 GLN 8 HB3 0.08 0.06 0.14 -0.04 2.02 2.25 2x9rY1 GLN 8 HG2 0.10 0.02 0.04 -0.04 2.40 2.51 2x9rY1 GLN 8 HG3 0.12 0.18 -0.36 -0.04 2.39 2.30 2x9rY1 GLN 8 HE21 0.06 0.03 -0.08 -0.04 6.97 6.93 2x9rY1 GLN 8 HE22 0.07 -0.11 -0.21 -0.04 7.69 7.40 2x9rY1 ARG 9 H 0.07 0.59 0.23 -0.55 8.46 8.80 2x9rY1 ARG 9 HA 0.06 0.18 0.67 -0.75 4.34 4.49 2x9rY1 ARG 9 HB2 0.04 0.11 0.15 -0.04 1.90 2.16 2x9rY1 ARG 9 HB3 0.03 0.02 0.07 -0.04 1.80 1.88 2x9rY1 ARG 9 HG2 0.03 0.05 0.02 -0.04 1.67 1.72 2x9rY1 ARG 9 HG3 0.04 -0.10 -0.03 -0.04 1.67 1.54 2x9rY1 ARG 9 HD2 0.02 -0.02 0.06 -0.04 3.22 3.25 2x9rY1 ARG 9 HD3 0.02 0.01 0.03 -0.04 3.22 3.23 2x9rY1 LEU 10 H 0.09 0.01 0.01 -0.55 8.37 7.93 2x9rY1 LEU 10 HA 0.07 0.18 0.48 -0.75 4.35 4.33 2x9rY1 LEU 10 HB2 0.14 -0.07 0.06 -0.04 1.64 1.72 2x9rY1 LEU 10 HB3 0.12 0.08 -0.04 -0.04 1.64 1.75 2x9rY1 LEU 10 HG 0.07 0.01 -0.01 -0.04 1.64 1.67 2x9rY1 LEU 10 HD13 0.08 0.00 -0.04 -0.04 0.93 0.93 2x9rY1 LEU 10 HD23 0.06 0.02 -0.05 -0.04 0.89 0.88 2x9rY1 GLU 11 H 0.13 0.13 -0.10 -0.55 8.60 8.22 2x9rY1 GLU 11 HA 0.06 0.14 0.36 -0.75 4.29 4.09 2x9rY1 GLU 11 HB2 0.12 -0.01 0.09 -0.04 2.09 2.25 2x9rY1 GLU 11 HB3 0.04 0.07 -0.03 -0.04 1.99 2.03 2x9rY1 GLU 11 HG2 0.06 0.05 -0.00 -0.04 2.34 2.40 2x9rY1 GLU 11 HG3 0.27 -0.09 0.05 -0.04 2.34 2.53 2x9rY1 GLY 12 H 0.11 0.09 -0.51 -0.55 8.43 7.56 2x9rY1 GLY 12 HA2 0.11 0.05 0.31 -0.51 4.01 3.98 2x9rY1 GLY 12 HA3 0.15 0.23 0.24 -0.51 4.01 4.12 2x9rY1 LEU 13 H 0.13 0.26 -0.75 -0.55 8.37 7.46 2x9rY1 LEU 13 HA 0.42 0.12 0.81 -0.75 4.35 4.94 2x9rY1 LEU 13 HB2 0.07 0.24 0.06 -0.04 1.64 1.97 2x9rY1 LEU 13 HB3 0.07 -0.06 0.12 -0.04 1.64 1.73 2x9rY1 LEU 13 HG 0.03 -0.05 -0.17 -0.04 1.64 1.42 2x9rY1 LEU 13 HD13 -0.03 0.06 0.04 -0.04 0.93 0.96 2x9rY1 LEU 13 HD23 -0.36 -0.01 0.01 -0.04 0.89 0.49 2x9rY1 ARG 14 H 0.10 0.40 -0.30 -0.55 8.46 8.10 2x9rY1 ARG 14 HA 0.07 0.09 0.57 -0.75 4.34 4.32 2x9rY1 ARG 14 HB2 0.03 0.11 0.14 -0.04 1.90 2.14 2x9rY1 ARG 14 HB3 0.02 0.02 0.09 -0.04 1.80 1.89 2x9rY1 ARG 14 HG2 0.05 -0.02 -0.00 -0.04 1.67 1.66 2x9rY1 ARG 14 HG3 0.07 0.39 -0.06 -0.04 1.67 2.02 2x9rY1 ARG 14 HD2 0.04 -0.12 -0.15 -0.04 3.22 2.94 2x9rY1 ARG 14 HD3 -0.01 0.07 -0.05 -0.04 3.22 3.20 2x9rY1 GLY 15 H 0.12 0.15 -0.53 -0.55 8.43 7.62 2x9rY1 GLY 15 HA2 0.11 0.19 0.79 -0.51 4.01 4.58 2x9rY1 GLY 15 HA3 0.08 0.08 0.23 -0.51 4.01 3.90 2x9rY1 TYR 16 H 0.19 0.31 -0.35 -0.55 8.29 7.89 2x9rY1 TYR 16 HA -0.02 0.16 0.74 -0.75 4.56 4.69 2x9rY1 TYR 16 HB2 0.02 -0.05 0.22 -0.04 3.06 3.21 2x9rY1 TYR 16 HB3 -0.01 0.02 0.06 -0.04 2.98 3.01 2x9rY1 TYR 16 HD2 -0.00 0.12 0.06 -0.04 7.15 7.29 2x9rY1 TYR 16 HE2 0.01 -0.01 -0.02 -0.04 6.85 6.79 2x9rY1 LEU 17 H 0.10 0.10 -0.20 -0.55 8.37 7.82 2x9rY1 LEU 17 HA 0.03 0.16 0.74 -0.75 4.35 4.52 2x9rY1 LEU 17 HB2 0.05 0.09 -0.02 -0.04 1.64 1.72 2x9rY1 LEU 17 HB3 0.03 0.01 0.07 -0.04 1.64 1.71 2x9rY1 LEU 17 HG 0.08 0.14 0.04 -0.04 1.64 1.87 2x9rY1 LEU 17 HD13 0.04 0.01 0.02 -0.04 0.93 0.96 2x9rY1 LEU 17 HD23 0.04 0.00 -0.05 -0.04 0.89 0.84 2x9rY1 ASP 18 H 0.07 0.05 -0.28 -0.55 8.40 7.69 2x9rY1 ASP 18 HA 0.05 0.12 0.42 -0.75 4.63 4.47 2x9rY1 ASP 18 HB2 0.28 0.06 -0.02 -0.04 2.71 2.99 2x9rY1 ASP 18 HB3 0.21 0.02 0.09 -0.04 2.70 2.97 2x9rY1 ILE 19 H -0.20 0.06 -0.85 -0.55 8.25 6.72 2x9rY1 ILE 19 HA -1.02 0.12 0.42 -0.75 4.18 2.95 2x9rY1 ILE 19 HB -0.27 0.13 0.08 -0.04 1.89 1.79 2x9rY1 ILE 19 HG12 -2.22 -0.02 0.00 -0.04 1.49 -0.79 2x9rY1 ILE 19 HG13 -0.46 -0.11 -0.07 -0.04 1.21 0.53 2x9rY1 ILE 19 HG23 -0.48 -0.02 -0.08 -0.04 0.93 0.32 2x9rY1 ILE 19 HD13 -0.33 0.02 0.08 -0.04 0.88 0.61 2x9rY1 PRO 20 HA -0.07 -0.00 0.45 -0.51 4.44 4.31 2x9rY1 PRO 20 HB2 -0.03 0.05 -0.01 -0.04 2.28 2.25 2x9rY1 PRO 20 HB3 -0.04 0.02 0.11 -0.04 2.02 2.07 2x9rY1 PRO 20 HG2 -0.03 0.04 0.12 -0.04 2.03 2.11 2x9rY1 PRO 20 HG3 -0.02 0.07 0.11 -0.04 2.03 2.15 2x9rY1 PRO 20 HD2 -0.09 -0.00 -0.13 -0.04 3.68 3.41 2x9rY1 PRO 20 HD3 -0.09 0.16 0.14 -0.04 3.65 3.82 2x9rY1 GLN 21 H -0.03 0.31 -0.17 -0.55 8.47 8.03 2x9rY1 GLN 21 HA -0.01 0.02 0.32 -0.75 4.36 3.94 2x9rY1 GLN 21 HB2 -0.00 0.16 0.11 -0.04 2.15 2.37 2x9rY1 GLN 21 HB3 0.01 0.05 -0.07 -0.04 2.02 1.97 2x9rY1 GLN 21 HG2 -0.00 -0.05 0.04 -0.04 2.40 2.35 2x9rY1 GLN 21 HG3 0.00 0.06 0.01 -0.04 2.39 2.41 2x9rY1 GLN 21 HE21 -0.00 -0.02 -0.02 -0.04 6.97 6.89 2x9rY1 GLN 21 HE22 0.00 0.06 -0.02 -0.04 7.69 7.69 2x9rY1 LYS 22 H 0.00 0.27 -0.42 -0.55 8.42 7.71 2x9rY1 LYS 22 HA 0.02 0.12 0.71 -0.75 4.32 4.41 2x9rY1 LYS 22 HB2 0.10 0.13 0.04 -0.04 1.87 2.10 2x9rY1 LYS 22 HB3 0.06 -0.07 0.07 -0.04 1.79 1.81 2x9rY1 LYS 22 HG2 0.04 -0.02 -0.07 -0.04 1.46 1.37 2x9rY1 LYS 22 HG3 0.05 -0.08 -0.01 -0.04 1.46 1.37 2x9rY1 LYS 22 HD2 0.20 0.14 0.08 -0.04 1.69 2.07 2x9rY1 LYS 22 HD3 0.08 -0.06 0.01 -0.04 1.68 1.67 2x9rY1 LYS 22 HE2 0.05 0.00 0.00 -0.04 2.99 3.01 2x9rY1 LYS 22 HE3 0.08 -0.08 0.09 -0.04 2.99 3.04 2x9rY1 GLU 23 H -0.03 0.47 -0.05 -0.55 8.60 8.45 2x9rY1 GLU 23 HA 0.02 0.03 0.43 -0.75 4.29 4.02 2x9rY1 GLU 23 HB2 -0.09 0.34 -0.01 -0.04 2.09 2.29 2x9rY1 GLU 23 HB3 -0.04 -0.10 0.18 -0.04 1.99 2.00 2x9rY1 GLU 23 HG2 -0.04 -0.04 -0.06 -0.04 2.34 2.17 2x9rY1 GLU 23 HG3 -0.01 -0.06 -0.13 -0.04 2.34 2.10 2x9rY1 THR 24 H -0.01 0.38 0.03 -0.55 8.28 8.12 2x9rY1 THR 24 HA -0.00 0.03 0.40 -0.75 4.39 4.06 2x9rY1 THR 24 HB -0.01 0.11 0.01 -0.04 4.32 4.40 2x9rY1 THR 24 HG23 -0.00 -0.01 0.08 -0.04 1.22 1.24 2x9rY1 ARG 25 H 0.01 0.27 -1.09 -0.55 8.46 7.09 2x9rY1 ARG 25 HA -0.00 0.05 0.53 -0.75 4.34 4.17 2x9rY1 ARG 25 HB2 0.01 0.10 0.07 -0.04 1.90 2.03 2x9rY1 ARG 25 HB3 0.01 0.12 0.03 -0.04 1.80 1.92 2x9rY1 ARG 25 HG2 -0.00 -0.03 0.03 -0.04 1.67 1.63 2x9rY1 ARG 25 HG3 0.00 0.03 0.02 -0.04 1.67 1.68 2x9rY1 ARG 25 HD2 -0.00 0.01 -0.12 -0.04 3.22 3.06 2x9rY1 ARG 25 HD3 -0.01 -0.07 0.06 -0.04 3.22 3.16 2x9rY1 LEU 26 H 0.01 0.58 0.03 -0.55 8.37 8.45 2x9rY1 LEU 26 HA 0.01 0.07 0.43 -0.75 4.35 4.10 2x9rY1 LEU 26 HB2 0.02 -0.06 0.11 -0.04 1.64 1.67 2x9rY1 LEU 26 HB3 0.03 0.08 0.13 -0.04 1.64 1.83 2x9rY1 LEU 26 HG 0.02 0.51 0.21 -0.04 1.64 2.34 2x9rY1 LEU 26 HD13 0.02 -0.02 -0.32 -0.04 0.93 0.56 2x9rY1 LEU 26 HD23 0.04 -0.02 0.03 -0.04 0.89 0.90 2x9rY1 LYS 27 H 0.00 0.23 -0.57 -0.55 8.42 7.53 2x9rY1 LYS 27 HA 0.00 0.06 0.43 -0.75 4.32 4.05 2x9rY1 LYS 27 HB2 0.00 -0.01 0.07 -0.04 1.87 1.89 2x9rY1 LYS 27 HB3 0.00 0.32 0.10 -0.04 1.79 2.17 2x9rY1 LYS 27 HG2 -0.00 -0.01 -0.24 -0.04 1.46 1.17 2x9rY1 LYS 27 HG3 0.00 -0.03 0.01 -0.04 1.46 1.40 2x9rY1 LYS 27 HD2 0.00 -0.02 0.01 -0.04 1.69 1.64 2x9rY1 LYS 27 HD3 -0.00 0.05 0.01 -0.04 1.68 1.70 2x9rY1 LYS 27 HE2 0.00 -0.00 -0.04 -0.04 2.99 2.91 2x9rY1 LYS 27 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.92 2x9rY1 GLU 28 H -0.00 0.33 -0.24 -0.55 8.60 8.14 2x9rY1 GLU 28 HA -0.01 0.07 0.50 -0.75 4.29 4.10 2x9rY1 GLU 28 HB2 -0.01 0.12 0.12 -0.04 2.09 2.28 2x9rY1 GLU 28 HB3 -0.01 -0.03 0.18 -0.04 1.99 2.09 2x9rY1 GLU 28 HG2 -0.01 -0.03 0.02 -0.04 2.34 2.28 2x9rY1 GLU 28 HG3 -0.00 -0.07 -0.03 -0.04 2.34 2.20 2x9rY1 LEU 29 H -0.01 0.13 -1.09 -0.55 8.37 6.86 2x9rY1 LEU 29 HA -0.03 0.16 0.80 -0.75 4.35 4.53 2x9rY1 LEU 29 HB2 -0.01 0.21 -0.15 -0.04 1.64 1.65 2x9rY1 LEU 29 HB3 -0.01 0.05 0.03 -0.04 1.64 1.67 2x9rY1 LEU 29 HG -0.02 -0.01 -0.15 -0.04 1.64 1.43 2x9rY1 LEU 29 HD13 -0.03 0.03 -0.16 -0.04 0.93 0.72 2x9rY1 LEU 29 HD23 -0.04 -0.01 0.09 -0.04 0.89 0.89 2x9rY1 GLU 30 H -0.00 0.90 0.21 -0.55 8.60 9.16 2x9rY1 GLU 30 HA 0.00 0.06 0.59 -0.75 4.29 4.19 2x9rY1 GLU 30 HB2 0.02 -0.04 0.21 -0.04 2.09 2.23 2x9rY1 GLU 30 HB3 0.01 0.06 0.19 -0.04 1.99 2.21 2x9rY1 GLU 30 HG2 0.01 -0.03 -0.01 -0.04 2.34 2.27 2x9rY1 GLU 30 HG3 0.01 0.09 0.11 -0.04 2.34 2.51 2x9rY1 ARG 31 H -0.01 0.02 -0.81 -0.55 8.46 7.10 2x9rY1 ARG 31 HA 0.01 0.15 0.80 -0.75 4.34 4.54 2x9rY1 ARG 31 HB2 -0.00 0.43 0.14 -0.04 1.90 2.42 2x9rY1 ARG 31 HB3 -0.01 -0.02 -0.05 -0.04 1.80 1.68 2x9rY1 ARG 31 HG2 -0.00 -0.03 0.03 -0.04 1.67 1.62 2x9rY1 ARG 31 HG3 0.00 -0.04 0.13 -0.04 1.67 1.72 2x9rY1 ARG 31 HD2 0.00 0.01 -0.02 -0.04 3.22 3.16 2x9rY1 ARG 31 HD3 0.00 -0.04 0.01 -0.04 3.22 3.15 2x9rY1 ARG 32 H -0.03 0.38 -0.24 -0.55 8.46 8.03 2x9rY1 ARG 32 HA -0.04 0.16 0.72 -0.75 4.34 4.43 2x9rY1 ARG 32 HB2 -0.09 0.10 0.04 -0.04 1.90 1.91 2x9rY1 ARG 32 HB3 -0.09 -0.02 0.13 -0.04 1.80 1.78 2x9rY1 ARG 32 HG2 -0.04 -0.01 -0.18 -0.04 1.67 1.40 2x9rY1 ARG 32 HG3 -0.04 -0.08 -0.25 -0.04 1.67 1.26 2x9rY1 ARG 32 HD2 -0.06 -0.03 0.07 -0.04 3.22 3.15 2x9rY1 ARG 32 HD3 -0.05 -0.06 0.03 -0.04 3.22 3.09 2x9rY1 LEU 33 H -0.01 0.01 -0.30 -0.55 8.37 7.52 2x9rY1 LEU 33 HA -0.04 0.19 0.69 -0.75 4.35 4.44 2x9rY1 LEU 33 HB2 0.04 0.06 -0.01 -0.04 1.64 1.69 2x9rY1 LEU 33 HB3 0.09 0.01 0.01 -0.04 1.64 1.70 2x9rY1 LEU 33 HG -0.03 0.23 0.10 -0.04 1.64 1.90 2x9rY1 LEU 33 HD13 0.02 -0.01 0.02 -0.04 0.93 0.92 2x9rY1 LEU 33 HD23 -0.06 0.01 -0.14 -0.04 0.89 0.66 2x9rY1 GLU 34 H 0.03 0.07 -0.24 -0.55 8.60 7.90 2x9rY1 GLU 34 HA 0.07 0.10 0.38 -0.75 4.29 4.08 2x9rY1 GLU 34 HB2 0.03 0.09 0.11 -0.04 2.09 2.28 2x9rY1 GLU 34 HB3 0.03 0.05 -0.00 -0.04 1.99 2.02 2x9rY1 GLU 34 HG2 0.03 -0.02 0.14 -0.04 2.34 2.45 2x9rY1 GLU 34 HG3 0.04 -0.01 0.09 -0.04 2.34 2.42 2x9rY1 ASP 35 H 0.06 0.17 -1.12 -0.55 8.40 6.97 2x9rY1 ASP 35 HA 0.07 0.19 0.79 -0.75 4.63 4.93 2x9rY1 ASP 35 HB2 0.03 0.07 -0.21 -0.04 2.71 2.56 2x9rY1 ASP 35 HB3 0.02 0.01 -0.04 -0.04 2.70 2.65 2x9rY1 PRO 36 HA 0.61 0.14 0.58 -0.51 4.44 5.26 2x9rY1 PRO 36 HB2 0.11 0.02 -0.01 -0.04 2.28 2.36 2x9rY1 PRO 36 HB3 0.11 0.08 0.07 -0.04 2.02 2.24 2x9rY1 PRO 36 HG2 0.08 -0.04 0.09 -0.04 2.03 2.12 2x9rY1 PRO 36 HG3 0.06 0.08 0.06 -0.04 2.03 2.18 2x9rY1 PRO 36 HD2 0.07 0.10 0.23 -0.04 3.68 4.04 2x9rY1 PRO 36 HD3 0.09 0.23 0.07 -0.04 3.65 4.00 2x9rY1 SER 37 H 0.09 0.17 -0.07 -0.55 8.46 8.10 2x9rY1 SER 37 HA 0.07 0.04 0.28 -0.75 4.49 4.13 2x9rY1 SER 37 HB2 0.03 0.03 -0.06 -0.04 3.95 3.92 2x9rY1 SER 37 HB3 0.03 0.03 0.05 -0.04 3.93 4.00 2x9rY1 LEU 38 H 0.06 0.13 -0.92 -0.55 8.37 7.09 2x9rY1 LEU 38 HA -0.02 0.07 0.57 -0.75 4.35 4.21 2x9rY1 LEU 38 HB2 -0.07 -0.05 0.04 -0.04 1.64 1.52 2x9rY1 LEU 38 HB3 -0.16 0.20 0.12 -0.04 1.64 1.76 2x9rY1 LEU 38 HG -0.26 -0.03 -0.26 -0.04 1.64 1.06 2x9rY1 LEU 38 HD13 -0.08 -0.02 0.06 -0.04 0.93 0.84 2x9rY1 LEU 38 HD23 -0.21 0.04 0.09 -0.04 0.89 0.77 2x9rY1 TRP 39 H 0.16 0.29 0.10 -0.55 7.97 7.98 2x9rY1 TRP 39 HA 0.00 0.00 0.30 -0.75 4.62 4.17 2x9rY1 TRP 39 HB2 0.00 0.13 0.14 -0.04 3.23 3.46 2x9rY1 TRP 39 HB3 0.00 -0.04 -0.05 -0.04 3.23 3.10 2x9rY1 TRP 39 HD1 0.00 -0.09 0.17 -0.04 7.22 7.26 2x9rY1 TRP 39 HE1 0.00 0.08 0.03 -0.04 10.20 10.27 2x9rY1 TRP 39 HE3 0.00 -0.03 -0.01 -0.04 7.59 7.51 2x9rY1 TRP 39 HZ2 0.00 -0.02 0.02 -0.04 7.44 7.41 2x9rY1 TRP 39 HZ3 0.00 -0.04 -0.05 -0.04 7.13 7.00 2x9rY1 TRP 39 HH2 0.00 -0.03 0.04 -0.04 7.19 7.16 2x9rY1 ASN 40 H 0.16 0.19 -0.61 -0.55 8.53 7.72 2x9rY1 ASN 40 HA 0.11 -0.03 0.24 -0.75 4.76 4.33 2x9rY1 ASN 40 HB2 0.05 0.13 -0.00 -0.04 2.88 3.02 2x9rY1 ASN 40 HB3 0.05 -0.06 -0.01 -0.04 2.79 2.73 2x9rY1 ASN 40 HD21 0.05 -0.10 -0.01 -0.04 7.03 6.93 2x9rY1 ASN 40 HD22 0.06 0.41 0.06 -0.04 7.74 8.23 2x9rY1 ASP 41 H 0.04 0.49 -0.55 -0.55 8.40 7.84 2x9rY1 ASP 41 HA 0.03 0.12 0.69 -0.75 4.63 4.71 2x9rY1 ASP 41 HB2 -0.01 0.25 0.12 -0.04 2.71 3.03 2x9rY1 ASP 41 HB3 -0.03 -0.41 0.16 -0.04 2.70 2.38 2x9rY1 PRO 42 HA 0.11 0.13 0.36 -0.51 4.44 4.53 2x9rY1 PRO 42 HB2 0.03 -0.04 0.05 -0.04 2.28 2.29 2x9rY1 PRO 42 HB3 0.05 0.03 0.12 -0.04 2.02 2.18 2x9rY1 PRO 42 HG2 0.03 -0.00 0.12 -0.04 2.03 2.15 2x9rY1 PRO 42 HG3 0.06 0.09 0.11 -0.04 2.03 2.25 2x9rY1 PRO 42 HD2 0.03 -0.02 0.28 -0.04 3.68 3.92 2x9rY1 PRO 42 HD3 0.05 0.65 0.56 -0.04 3.65 4.87 2x9rY1 GLU 43 H 0.01 -0.04 -0.49 -0.55 8.60 7.53 2x9rY1 GLU 43 HA 0.01 0.27 1.10 -0.75 4.29 4.92 2x9rY1 GLU 43 HB2 0.01 0.06 -0.07 -0.04 2.09 2.05 2x9rY1 GLU 43 HB3 -0.00 0.01 0.03 -0.04 1.99 1.99 2x9rY1 GLU 43 HG2 -0.01 -0.07 -0.05 -0.04 2.34 2.17 2x9rY1 GLU 43 HG3 0.00 0.04 0.09 -0.04 2.34 2.43 2x9rY1 ALA 44 H -0.03 0.10 0.04 -0.55 8.40 7.96 2x9rY1 ALA 44 HA -0.07 0.08 0.58 -0.75 4.34 4.18 2x9rY1 ALA 44 HB3 -0.05 0.04 0.15 -0.04 1.41 1.51 2x9rY1 ALA 45 H -0.09 0.04 -0.76 -0.55 8.40 7.05 2x9rY1 ALA 45 HA -0.56 0.16 0.72 -0.75 4.34 3.91 2x9rY1 ALA 45 HB3 -0.38 0.04 -0.01 -0.04 1.41 1.02 2x9rY1 ARG 46 H -0.09 0.17 -0.21 -0.55 8.46 7.77 2x9rY1 ARG 46 HA 0.01 0.18 0.71 -0.75 4.34 4.49 2x9rY1 ARG 46 HB2 0.04 0.16 0.14 -0.04 1.90 2.20 2x9rY1 ARG 46 HB3 -0.00 0.05 0.23 -0.04 1.80 2.04 2x9rY1 ARG 46 HG2 0.06 0.01 0.06 -0.04 1.67 1.75 2x9rY1 ARG 46 HG3 0.04 0.02 0.05 -0.04 1.67 1.75 2x9rY1 ARG 46 HD2 0.02 0.01 -0.04 -0.04 3.22 3.16 2x9rY1 ARG 46 HD3 0.00 0.00 -0.23 -0.04 3.22 2.95 2x9rY1 LYS 47 H -0.07 0.59 0.23 -0.55 8.42 8.62 2x9rY1 LYS 47 HA -0.03 0.09 0.41 -0.75 4.32 4.03 2x9rY1 LYS 47 HB2 -0.04 0.17 0.22 -0.04 1.87 2.18 2x9rY1 LYS 47 HB3 -0.06 0.02 0.03 -0.04 1.79 1.74 2x9rY1 LYS 47 HG2 -0.02 0.01 0.07 -0.04 1.46 1.47 2x9rY1 LYS 47 HG3 -0.03 0.01 0.02 -0.04 1.46 1.42 2x9rY1 LYS 47 HD2 -0.04 0.02 -0.08 -0.04 1.69 1.55 2x9rY1 LYS 47 HD3 -0.03 -0.06 0.02 -0.04 1.68 1.57 2x9rY1 LYS 47 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 2x9rY1 LYS 47 HE3 -0.02 0.00 -0.00 -0.04 2.99 2.93 2x9rY1 VAL 48 H -0.15 0.15 -0.45 -0.55 8.24 7.24 2x9rY1 VAL 48 HA -0.09 0.10 0.43 -0.75 4.13 3.82 2x9rY1 VAL 48 HB -0.31 0.05 -0.08 -0.04 2.12 1.74 2x9rY1 VAL 48 HG13 -0.14 0.00 -0.10 -0.04 0.97 0.69 2x9rY1 VAL 48 HG23 -0.15 0.02 0.05 -0.04 0.95 0.83 2x9rY1 SER 49 H -0.14 0.19 -0.65 -0.55 8.46 7.32 2x9rY1 SER 49 HA -0.03 0.05 0.44 -0.75 4.49 4.19 2x9rY1 SER 49 HB2 -0.05 0.14 0.10 -0.04 3.95 4.10 2x9rY1 SER 49 HB3 0.02 0.12 0.07 -0.04 3.93 4.09 2x9rY1 GLN 50 H -0.04 0.21 -0.82 -0.55 8.47 7.28 2x9rY1 GLN 50 HA 0.00 0.12 0.62 -0.75 4.36 4.35 2x9rY1 GLN 50 HB2 -0.01 0.04 0.09 -0.04 2.15 2.22 2x9rY1 GLN 50 HB3 -0.02 0.21 0.16 -0.04 2.02 2.33 2x9rY1 GLN 50 HG2 0.00 -0.02 0.03 -0.04 2.40 2.37 2x9rY1 GLN 50 HG3 -0.00 -0.02 -0.00 -0.04 2.39 2.33 2x9rY1 GLN 50 HE21 0.00 0.01 -0.07 -0.04 6.97 6.87 2x9rY1 GLN 50 HE22 0.00 -0.00 -0.04 -0.04 7.69 7.61 2x9rY1 GLU 51 H -0.03 0.31 0.01 -0.55 8.60 8.34 2x9rY1 GLU 51 HA -0.01 0.08 0.47 -0.75 4.29 4.08 2x9rY1 GLU 51 HB2 -0.03 0.09 0.13 -0.04 2.09 2.24 2x9rY1 GLU 51 HB3 -0.02 0.00 0.04 -0.04 1.99 1.97 2x9rY1 GLU 51 HG2 -0.03 0.12 0.11 -0.04 2.34 2.49 2x9rY1 GLU 51 HG3 -0.03 -0.00 0.03 -0.04 2.34 2.29 2x9rY1 ALA 52 H -0.02 0.45 -0.18 -0.55 8.40 8.10 2x9rY1 ALA 52 HA -0.00 0.04 0.39 -0.75 4.34 4.02 2x9rY1 ALA 52 HB3 -0.00 0.02 0.03 -0.04 1.41 1.41 2x9rY1 ALA 53 H 0.00 0.21 -0.69 -0.55 8.40 7.37 2x9rY1 ALA 53 HA 0.01 0.10 0.53 -0.75 4.34 4.22 2x9rY1 ALA 53 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 2x9rY1 ARG 54 H 0.00 0.29 -0.65 -0.55 8.46 7.55 2x9rY1 ARG 54 HA -0.01 0.07 0.61 -0.75 4.34 4.26 2x9rY1 ARG 54 HB2 0.00 0.21 0.14 -0.04 1.90 2.21 2x9rY1 ARG 54 HB3 0.00 -0.05 0.05 -0.04 1.80 1.76 2x9rY1 ARG 54 HG2 -0.00 -0.06 0.04 -0.04 1.67 1.61 2x9rY1 ARG 54 HG3 -0.00 0.28 0.01 -0.04 1.67 1.92 2x9rY1 ARG 54 HD2 0.00 -0.01 -0.04 -0.04 3.22 3.13 2x9rY1 ARG 54 HD3 0.00 -0.01 0.00 -0.04 3.22 3.18 2x9rY1 LEU 55 H 0.01 0.34 -0.47 -0.55 8.37 7.70 2x9rY1 LEU 55 HA 0.02 0.07 0.37 -0.75 4.35 4.05 2x9rY1 LEU 55 HB2 0.01 0.19 0.05 -0.04 1.64 1.86 2x9rY1 LEU 55 HB3 0.02 -0.04 0.13 -0.04 1.64 1.70 2x9rY1 LEU 55 HG 0.03 -0.00 0.01 -0.04 1.64 1.64 2x9rY1 LEU 55 HD13 0.01 -0.02 0.00 -0.04 0.93 0.89 2x9rY1 LEU 55 HD23 0.02 -0.00 0.05 -0.04 0.89 0.92 2x9rY1 ARG 56 H -0.01 0.13 -1.48 -0.55 8.46 6.54 2x9rY1 ARG 56 HA -0.02 0.15 0.64 -0.75 4.34 4.35 2x9rY1 ARG 56 HB2 -0.01 0.02 0.04 -0.04 1.90 1.92 2x9rY1 ARG 56 HB3 -0.01 0.26 0.17 -0.04 1.80 2.18 2x9rY1 ARG 56 HG2 -0.03 -0.03 -0.25 -0.04 1.67 1.32 2x9rY1 ARG 56 HG3 -0.02 -0.05 -0.09 -0.04 1.67 1.46 2x9rY1 ARG 56 HD2 -0.01 -0.02 0.01 -0.04 3.22 3.16 2x9rY1 ARG 56 HD3 -0.01 0.10 0.04 -0.04 3.22 3.31 2x9rY1 ARG 57 H -0.04 0.30 0.09 -0.55 8.46 8.25 2x9rY1 ARG 57 HA -0.10 0.08 0.67 -0.75 4.34 4.24 2x9rY1 ARG 57 HB2 -0.05 0.08 0.15 -0.04 1.90 2.03 2x9rY1 ARG 57 HB3 -0.09 0.04 0.19 -0.04 1.80 1.90 2x9rY1 ARG 57 HG2 -0.04 -0.04 -0.03 -0.04 1.67 1.52 2x9rY1 ARG 57 HG3 -0.04 0.06 0.04 -0.04 1.67 1.69 2x9rY1 ARG 57 HD2 -0.07 0.04 0.04 -0.04 3.22 3.19 2x9rY1 ARG 57 HD3 -0.08 -0.05 0.04 -0.04 3.22 3.09 2x9rY1 THR 58 H -0.08 0.08 -0.66 -0.55 8.28 7.07 2x9rY1 THR 58 HA -0.48 0.18 0.85 -0.75 4.39 4.19 2x9rY1 THR 58 HB 0.18 0.02 0.12 -0.04 4.32 4.59 2x9rY1 THR 58 HG23 -0.01 0.01 -0.13 -0.04 1.22 1.06 2x9rY1 VAL 59 H -0.11 0.07 -0.25 -0.55 8.24 7.40 2x9rY1 VAL 59 HA 0.06 0.17 0.70 -0.75 4.13 4.31 2x9rY1 VAL 59 HB -0.01 0.29 0.05 -0.04 2.12 2.42 2x9rY1 VAL 59 HG13 0.02 -0.02 0.07 -0.04 0.97 1.00 2x9rY1 VAL 59 HG23 0.04 -0.06 -0.15 -0.04 0.95 0.74 2x9rY1 ASP 60 H -0.13 -0.06 0.02 -0.55 8.40 7.69 2x9rY1 ASP 60 HA -0.04 0.22 0.85 -0.75 4.63 4.90 2x9rY1 ASP 60 HB2 -0.05 -0.00 0.09 -0.04 2.71 2.71 2x9rY1 ASP 60 HB3 -0.05 0.16 0.11 -0.04 2.70 2.88 2x9rY1 THR 61 H -0.25 0.04 -0.09 -0.55 8.28 7.43 2x9rY1 THR 61 HA -0.13 0.15 0.39 -0.75 4.39 4.04 2x9rY1 THR 61 HB -0.68 -0.02 0.05 -0.04 4.32 3.63 2x9rY1 THR 61 HG23 -0.17 0.02 -0.15 -0.04 1.22 0.88 2x9rY1 PHE 62 H -0.61 0.16 -0.20 -0.55 8.34 7.14 2x9rY1 PHE 62 HA -0.17 0.10 0.22 -0.75 4.62 4.02 2x9rY1 PHE 62 HB2 -0.05 0.05 -0.15 -0.04 3.15 2.95 2x9rY1 PHE 62 HB3 -0.10 0.01 0.06 -0.04 3.06 2.99 2x9rY1 PHE 62 HD2 -0.11 0.11 -0.02 -0.04 7.28 7.21 2x9rY1 PHE 62 HE2 -0.05 0.15 0.03 -0.04 7.38 7.47 2x9rY1 PHE 62 HZ -0.03 0.07 -0.26 -0.04 7.32 7.07 2x9rY1 ARG 63 H -0.01 -0.06 -1.56 -0.55 8.46 6.28 2x9rY1 ARG 63 HA 0.04 0.15 0.72 -0.75 4.34 4.50 2x9rY1 ARG 63 HB2 -0.01 0.08 -0.02 -0.04 1.90 1.91 2x9rY1 ARG 63 HB3 0.01 -0.04 -0.03 -0.04 1.80 1.70 2x9rY1 ARG 63 HG2 0.06 -0.16 -0.29 -0.04 1.67 1.24 2x9rY1 ARG 63 HG3 0.02 0.47 0.09 -0.04 1.67 2.21 2x9rY1 ARG 63 HD2 0.02 -0.04 -0.01 -0.04 3.22 3.15 2x9rY1 ARG 63 HD3 0.04 -0.02 -0.05 -0.04 3.22 3.15 2x9rY1 SER 64 H -0.02 0.64 0.12 -0.55 8.46 8.65 2x9rY1 SER 64 HA 0.00 0.05 0.61 -0.75 4.49 4.40 2x9rY1 SER 64 HB2 -0.01 -0.04 0.23 -0.04 3.95 4.09 2x9rY1 SER 64 HB3 -0.01 -0.01 0.14 -0.04 3.93 4.00 2x9rY1 LEU 65 H 0.00 0.14 -0.77 -0.55 8.37 7.19 2x9rY1 LEU 65 HA 0.01 0.19 0.89 -0.75 4.35 4.69 2x9rY1 LEU 65 HB2 -0.03 0.06 -0.12 -0.04 1.64 1.50 2x9rY1 LEU 65 HB3 -0.04 0.04 -0.13 -0.04 1.64 1.47 2x9rY1 LEU 65 HG 0.02 -0.02 -0.07 -0.04 1.64 1.53 2x9rY1 LEU 65 HD13 0.02 -0.02 0.05 -0.04 0.93 0.95 2x9rY1 LEU 65 HD23 -0.05 0.01 -0.09 -0.04 0.89 0.71 2x9rY1 GLU 66 H 0.03 0.30 -0.04 -0.55 8.60 8.34 2x9rY1 GLU 66 HA 0.11 0.15 0.58 -0.75 4.29 4.37 2x9rY1 GLU 66 HB2 0.05 0.17 0.14 -0.04 2.09 2.42 2x9rY1 GLU 66 HB3 0.08 -0.03 0.11 -0.04 1.99 2.11 2x9rY1 GLU 66 HG2 0.11 0.02 0.07 -0.04 2.34 2.50 2x9rY1 GLU 66 HG3 0.23 -0.03 0.05 -0.04 2.34 2.55 2x9rY1 SER 67 H 0.03 0.07 -0.41 -0.55 8.46 7.60 2x9rY1 SER 67 HA 0.03 0.16 0.66 -0.75 4.49 4.58 2x9rY1 SER 67 HB2 0.02 0.07 -0.06 -0.04 3.95 3.93 2x9rY1 SER 67 HB3 0.02 0.02 0.01 -0.04 3.93 3.94 2x9rY1 ASP 68 H 0.03 0.12 -0.40 -0.55 8.40 7.61 2x9rY1 ASP 68 HA 0.03 0.11 0.49 -0.75 4.63 4.50 2x9rY1 ASP 68 HB2 0.04 0.11 0.10 -0.04 2.71 2.92 2x9rY1 ASP 68 HB3 0.03 0.06 0.20 -0.04 2.70 2.95 2x9rY1 LEU 69 H 0.05 -0.09 -1.03 -0.55 8.37 6.74 2x9rY1 LEU 69 HA 0.06 0.19 0.79 -0.75 4.35 4.63 2x9rY1 LEU 69 HB2 0.11 0.14 -0.05 -0.04 1.64 1.80 2x9rY1 LEU 69 HB3 0.10 0.02 -0.02 -0.04 1.64 1.70 2x9rY1 LEU 69 HG 0.06 -0.01 -0.03 -0.04 1.64 1.62 2x9rY1 LEU 69 HD13 0.06 -0.01 0.08 -0.04 0.93 1.02 2x9rY1 LEU 69 HD23 0.15 0.01 -0.01 -0.04 0.89 0.99 2x9rY1 GLN 70 H 0.04 0.01 -0.22 -0.55 8.47 7.75 2x9rY1 GLN 70 HA 0.03 0.22 0.88 -0.75 4.36 4.73 2x9rY1 GLN 70 HB2 0.03 0.13 0.14 -0.04 2.15 2.42 2x9rY1 GLN 70 HB3 0.03 -0.02 0.04 -0.04 2.02 2.03 2x9rY1 GLN 70 HG2 0.03 0.01 0.02 -0.04 2.40 2.42 2x9rY1 GLN 70 HG3 0.04 0.01 -0.19 -0.04 2.39 2.21 2x9rY1 GLN 70 HE21 0.02 -0.02 0.01 -0.04 6.97 6.94 2x9rY1 GLN 70 HE22 0.02 -0.00 0.01 -0.04 7.69 7.68 2x9rY1 GLY 71 H 0.03 0.37 0.07 -0.55 8.43 8.35 2x9rY1 GLY 71 HA2 0.02 0.14 0.66 -0.51 4.01 4.32 2x9rY1 GLY 71 HA3 0.02 0.11 0.36 -0.51 4.01 3.99 2x9rY1 LEU 72 H 0.02 -0.09 -0.65 -0.55 8.37 7.10 2x9rY1 LEU 72 HA 0.02 0.23 0.73 -0.75 4.35 4.57 2x9rY1 LEU 72 HB2 0.02 0.04 -0.26 -0.04 1.64 1.41 2x9rY1 LEU 72 HB3 0.03 0.02 -0.17 -0.04 1.64 1.47 2x9rY1 LEU 72 HG 0.02 -0.03 -0.23 -0.04 1.64 1.36 2x9rY1 LEU 72 HD13 0.02 -0.00 -0.09 -0.04 0.93 0.81 2x9rY1 LEU 72 HD23 0.03 0.01 -0.08 -0.04 0.89 0.81 2x9rY1 LEU 73 H 0.02 0.11 -0.30 -0.55 8.37 7.66 2x9rY1 LEU 73 HA 0.02 0.10 0.37 -0.75 4.35 4.08 2x9rY1 LEU 73 HB2 0.02 -0.01 0.07 -0.04 1.64 1.68 2x9rY1 LEU 73 HB3 0.02 0.16 0.12 -0.04 1.64 1.90 2x9rY1 LEU 73 HG 0.01 -0.00 0.19 -0.04 1.64 1.80 2x9rY1 LEU 73 HD13 0.01 -0.01 0.03 -0.04 0.93 0.92 2x9rY1 LEU 73 HD23 0.01 0.01 0.07 -0.04 0.89 0.93 2x9rY1 GLU 74 H 0.01 0.14 -1.29 -0.55 8.60 6.92 2x9rY1 GLU 74 HA 0.01 0.19 0.84 -0.75 4.29 4.58 2x9rY1 GLU 74 HB2 0.01 0.20 -0.20 -0.04 2.09 2.07 2x9rY1 GLU 74 HB3 0.01 -0.04 -0.09 -0.04 1.99 1.83 2x9rY1 GLU 74 HG2 0.01 -0.05 -0.09 -0.04 2.34 2.17 2x9rY1 GLU 74 HG3 0.01 0.01 0.03 -0.04 2.34 2.34 2x9rY1 LEU 75 H 0.01 0.17 -0.15 -0.55 8.37 7.85 2x9rY1 LEU 75 HA 0.01 0.16 0.85 -0.75 4.35 4.62 2x9rY1 LEU 75 HB2 0.01 0.11 0.34 -0.04 1.64 2.06 2x9rY1 LEU 75 HB3 0.01 -0.04 0.10 -0.04 1.64 1.67 2x9rY1 LEU 75 HG 0.01 0.01 0.03 -0.04 1.64 1.65 2x9rY1 LEU 75 HD13 0.01 -0.05 -0.29 -0.04 0.93 0.56 2x9rY1 LEU 75 HD23 0.01 -0.03 -0.01 -0.04 0.89 0.82 2x9rY1 MET 76 H 0.01 0.23 -0.31 -0.55 8.47 7.85 2x9rY1 MET 76 HA 0.01 0.14 0.85 -0.75 4.52 4.77 2x9rY1 MET 76 HB2 0.01 0.15 -0.12 -0.04 2.15 2.16 2x9rY1 MET 76 HB3 0.01 -0.01 0.04 -0.04 2.03 2.03 2x9rY1 MET 76 HG2 0.01 -0.07 -0.34 -0.04 2.63 2.20 2x9rY1 MET 76 HG3 0.01 -0.00 -0.14 -0.04 2.56 2.39 2x9rY1 MET 76 HE3 0.02 0.00 -0.12 -0.04 2.10 1.96 2x9rY1 GLU 77 H 0.01 0.12 -0.04 -0.55 8.60 8.13 2x9rY1 GLU 77 HA 0.01 0.15 0.70 -0.75 4.29 4.39 2x9rY1 GLU 77 HB2 0.00 0.06 0.09 -0.04 2.09 2.21 2x9rY1 GLU 77 HB3 0.00 -0.03 0.04 -0.04 1.99 1.97 2x9rY1 GLU 77 HG2 0.01 -0.05 -0.10 -0.04 2.34 2.15 2x9rY1 GLU 77 HG3 0.00 0.01 -0.03 -0.04 2.34 2.28 2x9rY1 GLU 78 H 0.00 0.20 0.11 -0.55 8.60 8.37 2x9rY1 GLU 78 HA 0.01 0.09 0.30 -0.75 4.29 3.93 2x9rY1 GLU 78 HB2 0.00 0.03 0.09 -0.04 2.09 2.17 2x9rY1 GLU 78 HB3 0.00 -0.00 -0.01 -0.04 1.99 1.94 2x9rY1 GLU 78 HG2 0.00 0.00 0.12 -0.04 2.34 2.42 2x9rY1 GLU 78 HG3 0.01 0.01 0.03 -0.04 2.34 2.35 2x9rY1 LEU 79 H 0.00 -0.07 -0.73 -0.55 8.37 7.03 2x9rY1 LEU 79 HA 0.00 0.18 0.64 -0.75 4.35 4.42 2x9rY1 LEU 79 HB2 0.00 -0.06 0.00 -0.04 1.64 1.54 2x9rY1 LEU 79 HB3 0.00 0.08 -0.03 -0.04 1.64 1.65 2x9rY1 LEU 79 HG 0.00 -0.10 -0.08 -0.04 1.64 1.42 2x9rY1 LEU 79 HD13 0.00 0.00 -0.02 -0.04 0.93 0.87 2x9rY1 LEU 79 HD23 0.00 0.03 -0.05 -0.04 0.89 0.82 2x9rY1 PRO 80 HA 0.00 -0.06 0.39 -0.51 4.44 4.27 2x9rY1 PRO 80 HB2 0.00 -0.01 0.12 -0.04 2.28 2.35 2x9rY1 PRO 80 HB3 0.00 0.03 0.09 -0.04 2.02 2.10 2x9rY1 PRO 80 HG2 0.00 0.03 0.10 -0.04 2.03 2.11 2x9rY1 PRO 80 HG3 0.00 0.05 0.09 -0.04 2.03 2.14 2x9rY1 PRO 80 HD2 0.00 0.05 0.19 -0.04 3.68 3.88 2x9rY1 PRO 80 HD3 0.00 0.28 0.26 -0.04 3.65 4.15 2x9rY1 ALA 81 H 0.00 0.02 0.23 -0.55 8.40 8.11 2x9rY1 ALA 81 HA 0.00 0.24 0.77 -0.75 4.34 4.60 2x9rY1 ALA 81 HB3 0.00 -0.03 0.08 -0.04 1.41 1.42 2x9rY1 GLU 82 H 0.00 0.11 0.21 -0.55 8.60 8.38 2x9rY1 GLU 82 HA 0.00 0.27 0.95 -0.75 4.29 4.76 2x9rY1 GLU 82 HB2 0.00 0.06 0.02 -0.04 2.09 2.13 2x9rY1 GLU 82 HB3 0.00 -0.03 0.14 -0.04 1.99 2.07 2x9rY1 GLU 82 HG2 0.00 0.02 -0.18 -0.04 2.34 2.14 2x9rY1 GLU 82 HG3 0.00 0.03 0.05 -0.04 2.34 2.38 2x9rY1 GLU 83 H 0.00 0.08 0.16 -0.55 8.60 8.30 2x9rY1 GLU 83 HA 0.00 0.21 0.58 -0.75 4.29 4.34 2x9rY1 GLU 83 HB2 0.00 0.03 0.10 -0.04 2.09 2.18 2x9rY1 GLU 83 HB3 0.00 -0.05 0.11 -0.04 1.99 2.02 2x9rY1 GLU 83 HG2 0.00 0.01 0.05 -0.04 2.34 2.37 2x9rY1 GLU 83 HG3 0.01 0.02 0.10 -0.04 2.34 2.42 2x9rY1 ARG 84 H 0.00 -0.12 -0.70 -0.55 8.46 7.10 2x9rY1 ARG 84 HA 0.01 0.55 1.04 -0.75 4.34 5.18 2x9rY1 ARG 84 HB2 0.00 -0.12 0.03 -0.04 1.90 1.78 2x9rY1 ARG 84 HB3 0.01 0.19 -0.03 -0.04 1.80 1.93 2x9rY1 ARG 84 HG2 0.01 0.08 -0.01 -0.04 1.67 1.70 2x9rY1 ARG 84 HG3 0.01 0.03 -0.24 -0.04 1.67 1.42 2x9rY1 ARG 84 HD2 0.01 0.06 -0.27 -0.04 3.22 2.97 2x9rY1 ARG 84 HD3 0.01 -0.07 -1.30 -0.04 3.22 1.81 2x9rY1 GLU 85 H 0.00 0.14 -0.07 -0.55 8.60 8.12 2x9rY1 GLU 85 HA 0.01 0.13 0.56 -0.75 4.29 4.23 2x9rY1 GLU 85 HB2 0.00 -0.03 0.14 -0.04 2.09 2.16 2x9rY1 GLU 85 HB3 0.00 0.13 0.10 -0.04 1.99 2.18 2x9rY1 GLU 85 HG2 0.00 -0.00 0.21 -0.04 2.34 2.51 2x9rY1 GLU 85 HG3 0.01 0.01 0.13 -0.04 2.34 2.44 2x9rY1 ALA 86 H 0.01 0.00 -0.85 -0.55 8.40 7.01 2x9rY1 ALA 86 HA 0.00 0.16 0.71 -0.75 4.34 4.46 2x9rY1 ALA 86 HB3 0.00 0.02 0.08 -0.04 1.41 1.47 2x9rY1 LEU 87 H 0.01 0.31 -0.33 -0.55 8.37 7.80 2x9rY1 LEU 87 HA 0.01 0.18 0.81 -0.75 4.35 4.59 2x9rY1 LEU 87 HB2 0.01 0.05 0.05 -0.04 1.64 1.70 2x9rY1 LEU 87 HB3 0.01 0.19 0.17 -0.04 1.64 1.97 2x9rY1 LEU 87 HG 0.01 -0.11 -0.02 -0.04 1.64 1.48 2x9rY1 LEU 87 HD13 0.01 0.08 0.14 -0.04 0.93 1.12 2x9rY1 LEU 87 HD23 0.01 0.00 0.03 -0.04 0.89 0.90 2x9rY1 LYS 88 H 0.01 0.09 -0.08 -0.55 8.42 7.89 2x9rY1 LYS 88 HA 0.01 0.12 0.42 -0.75 4.32 4.11 2x9rY1 LYS 88 HB2 0.01 0.12 0.11 -0.04 1.87 2.07 2x9rY1 LYS 88 HB3 0.01 -0.01 -0.02 -0.04 1.79 1.73 2x9rY1 LYS 88 HG2 0.01 0.06 0.10 -0.04 1.46 1.59 2x9rY1 LYS 88 HG3 0.01 0.01 0.01 -0.04 1.46 1.45 2x9rY1 LYS 88 HD2 0.01 0.01 -0.06 -0.04 1.69 1.61 2x9rY1 LYS 88 HD3 0.02 -0.02 -0.02 -0.04 1.68 1.61 2x9rY1 LYS 88 HE2 0.01 0.01 -0.11 -0.04 2.99 2.87 2x9rY1 LYS 88 HE3 0.01 -0.01 -0.14 -0.04 2.99 2.81 2x9rY1 PRO 89 HA 0.01 0.02 0.43 -0.51 4.44 4.39 2x9rY1 PRO 89 HB2 0.00 0.09 -0.10 -0.04 2.28 2.24 2x9rY1 PRO 89 HB3 0.00 0.02 0.08 -0.04 2.02 2.09 2x9rY1 PRO 89 HG2 0.00 0.11 0.08 -0.04 2.03 2.18 2x9rY1 PRO 89 HG3 0.01 0.01 0.04 -0.04 2.03 2.05 2x9rY1 PRO 89 HD2 0.01 0.03 -0.25 -0.04 3.68 3.43 2x9rY1 PRO 89 HD3 0.01 0.13 0.09 -0.04 3.65 3.84 2x9rY1 GLU 90 H 0.01 0.16 -1.26 -0.55 8.60 6.96 2x9rY1 GLU 90 HA 0.01 0.08 0.52 -0.75 4.29 4.13 2x9rY1 GLU 90 HB2 0.01 0.37 0.07 -0.04 2.09 2.50 2x9rY1 GLU 90 HB3 0.01 -0.04 0.10 -0.04 1.99 2.02 2x9rY1 GLU 90 HG2 0.01 -0.05 -0.13 -0.04 2.34 2.12 2x9rY1 GLU 90 HG3 0.01 0.02 0.17 -0.04 2.34 2.49 2x9rY1 LEU 91 H 0.01 0.58 -0.24 -0.55 8.37 8.17 2x9rY1 LEU 91 HA 0.01 0.11 0.78 -0.75 4.35 4.50 2x9rY1 LEU 91 HB2 0.02 0.08 0.05 -0.04 1.64 1.74 2x9rY1 LEU 91 HB3 0.02 -0.03 0.08 -0.04 1.64 1.67 2x9rY1 LEU 91 HG 0.02 -0.05 -0.13 -0.04 1.64 1.43 2x9rY1 LEU 91 HD13 0.02 0.05 -0.00 -0.04 0.93 0.95 2x9rY1 LEU 91 HD23 0.01 0.02 -0.40 -0.04 0.89 0.48 2x9rY1 GLU 92 H 0.01 0.21 -0.14 -0.55 8.60 8.14 2x9rY1 GLU 92 HA 0.02 0.15 0.58 -0.75 4.29 4.29 2x9rY1 GLU 92 HB2 0.01 0.02 0.06 -0.04 2.09 2.14 2x9rY1 GLU 92 HB3 0.01 0.05 0.05 -0.04 1.99 2.07 2x9rY1 GLU 92 HG2 0.00 0.02 0.06 -0.04 2.34 2.38 2x9rY1 GLU 92 HG3 0.01 -0.04 0.07 -0.04 2.34 2.33 2x9rY1 GLU 93 H 0.01 0.27 -0.10 -0.55 8.60 8.23 2x9rY1 GLU 93 HA -0.00 0.15 0.76 -0.75 4.29 4.44 2x9rY1 GLU 93 HB2 -0.00 0.04 0.03 -0.04 2.09 2.12 2x9rY1 GLU 93 HB3 -0.00 0.10 -0.02 -0.04 1.99 2.03 2x9rY1 GLU 93 HG2 -0.01 -0.07 0.15 -0.04 2.34 2.37 2x9rY1 GLU 93 HG3 -0.01 0.03 0.03 -0.04 2.34 2.36 2x9rY1 ALA 94 H 0.01 0.05 -0.66 -0.55 8.40 7.25 2x9rY1 ALA 94 HA 0.00 0.19 0.68 -0.75 4.34 4.47 2x9rY1 ALA 94 HB3 0.01 0.03 0.13 -0.04 1.41 1.54 2x9rY1 ALA 95 H 0.02 -0.24 -0.55 -0.55 8.40 7.08 2x9rY1 ALA 95 HA 0.04 0.19 0.73 -0.75 4.34 4.54 2x9rY1 ALA 95 HB3 0.04 0.05 0.08 -0.04 1.41 1.54 2x9rY1 LYS 96 H 0.01 0.09 -0.12 -0.55 8.42 7.85 2x9rY1 LYS 96 HA 0.02 0.12 0.49 -0.75 4.32 4.19 2x9rY1 LYS 96 HB2 0.01 0.27 0.29 -0.04 1.87 2.39 2x9rY1 LYS 96 HB3 -0.01 -0.10 0.22 -0.04 1.79 1.86 2x9rY1 LYS 96 HG2 -0.03 -0.03 -0.01 -0.04 1.46 1.35 2x9rY1 LYS 96 HG3 -0.01 0.01 0.09 -0.04 1.46 1.51 2x9rY1 LYS 96 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 2x9rY1 LYS 96 HD3 -0.02 0.01 -0.00 -0.04 1.68 1.62 2x9rY1 LYS 96 HE2 -0.00 0.01 0.01 -0.04 2.99 2.96 2x9rY1 LYS 96 HE3 -0.00 0.04 -0.04 -0.04 2.99 2.95 2x9rY1 LYS 97 H -0.00 0.08 -0.55 -0.55 8.42 7.39 2x9rY1 LYS 97 HA -0.04 0.14 0.57 -0.75 4.32 4.24 2x9rY1 LYS 97 HB2 -0.01 0.21 0.09 -0.04 1.87 2.12 2x9rY1 LYS 97 HB3 -0.02 -0.01 0.03 -0.04 1.79 1.74 2x9rY1 LYS 97 HG2 -0.03 -0.04 0.05 -0.04 1.46 1.39 2x9rY1 LYS 97 HG3 -0.03 -0.04 0.01 -0.04 1.46 1.37 2x9rY1 LYS 97 HD2 -0.02 -0.05 0.02 -0.04 1.69 1.61 2x9rY1 LYS 97 HD3 -0.01 0.14 0.07 -0.04 1.68 1.83 2x9rY1 LYS 97 HE2 -0.03 -0.04 0.02 -0.04 2.99 2.91 2x9rY1 LYS 97 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.93 2x9rY1 LEU 98 H 0.01 0.30 -0.88 -0.55 8.37 7.25 2x9rY1 LEU 98 HA 0.00 0.10 0.38 -0.75 4.35 4.08 2x9rY1 LEU 98 HB2 0.04 0.03 0.08 -0.04 1.64 1.74 2x9rY1 LEU 98 HB3 0.06 0.33 0.07 -0.04 1.64 2.06 2x9rY1 LEU 98 HG 0.03 -0.00 0.02 -0.04 1.64 1.65 2x9rY1 LEU 98 HD13 0.07 -0.00 0.02 -0.04 0.93 0.98 2x9rY1 LEU 98 HD23 0.06 -0.03 -0.13 -0.04 0.89 0.76 2x9rY1 ASP 99 H -0.02 0.21 -0.82 -0.55 8.40 7.22 2x9rY1 ASP 99 HA 0.06 0.05 0.42 -0.75 4.63 4.41 2x9rY1 ASP 99 HB2 -0.07 0.02 0.10 -0.04 2.71 2.72 2x9rY1 ASP 99 HB3 -0.12 0.26 0.12 -0.04 2.70 2.92 2x9rY1 GLU 100 H -0.04 0.53 -0.55 -0.55 8.60 8.00 2x9rY1 GLU 100 HA -0.07 0.05 0.37 -0.75 4.29 3.89 2x9rY1 GLU 100 HB2 -0.05 0.18 0.15 -0.04 2.09 2.33 2x9rY1 GLU 100 HB3 -0.04 0.01 -0.04 -0.04 1.99 1.87 2x9rY1 GLU 100 HG2 -0.04 -0.01 -0.01 -0.04 2.34 2.24 2x9rY1 GLU 100 HG3 -0.04 -0.01 0.02 -0.04 2.34 2.27 2x9rY1 LEU 101 H -0.01 0.28 -0.38 -0.55 8.37 7.71 2x9rY1 LEU 101 HA -0.03 0.12 0.52 -0.75 4.35 4.21 2x9rY1 LEU 101 HB2 -0.04 -0.06 0.01 -0.04 1.64 1.51 2x9rY1 LEU 101 HB3 -0.02 0.15 0.00 -0.04 1.64 1.73 2x9rY1 LEU 101 HG -0.03 0.04 -0.08 -0.04 1.64 1.52 2x9rY1 LEU 101 HD13 -0.05 -0.00 0.06 -0.04 0.93 0.89 2x9rY1 LEU 101 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.76 2x9rY1 TYR 102 H 0.08 0.03 -0.49 -0.55 8.29 7.36 2x9rY1 TYR 102 HA -0.16 0.12 0.41 -0.75 4.56 4.18 2x9rY1 TYR 102 HB2 -0.15 -0.01 0.14 -0.04 3.06 2.99 2x9rY1 TYR 102 HB3 -0.08 0.09 0.29 -0.04 2.98 3.24 2x9rY1 TYR 102 HD2 -0.21 -0.01 -0.36 -0.04 7.15 6.53 2x9rY1 TYR 102 HE2 -0.62 -0.00 -0.07 -0.04 6.85 6.12 2x9rY1 HIS 103 H 0.25 0.48 0.07 -0.55 8.41 8.67 2x9rY1 HIS 103 HA 0.06 0.04 0.27 -0.75 4.63 4.25 2x9rY1 HIS 103 HB2 -0.03 0.11 0.05 -0.04 3.26 3.35 2x9rY1 HIS 103 HB3 -0.04 -0.04 0.05 -0.04 3.20 3.13 2x9rY1 HIS 103 HD2 -0.38 -0.07 -0.01 -0.04 6.97 6.47 2x9rY1 HIS 103 HE1 -0.08 0.00 -0.01 -0.04 7.75 7.62 2x9rY1 GLN 104 H 0.06 0.13 -1.35 -0.55 8.47 6.76 2x9rY1 GLN 104 HA -0.00 0.02 0.49 -0.75 4.36 4.11 2x9rY1 GLN 104 HB2 -0.01 0.03 0.07 -0.04 2.15 2.20 2x9rY1 GLN 104 HB3 -0.02 0.06 -0.01 -0.04 2.02 2.00 2x9rY1 GLN 104 HG2 -0.03 -0.04 0.05 -0.04 2.40 2.33 2x9rY1 GLN 104 HG3 -0.02 -0.03 0.09 -0.04 2.39 2.39 2x9rY1 GLN 104 HE21 -0.02 -0.10 -0.00 -0.04 6.97 6.81 2x9rY1 GLN 104 HE22 -0.03 -0.05 -0.01 -0.04 7.69 7.56 2x9rY1 THR 105 H -0.04 0.84 -0.09 -0.55 8.28 8.45 2x9rY1 THR 105 HA -0.04 0.16 0.88 -0.75 4.39 4.63 2x9rY1 THR 105 HB -0.04 0.07 0.23 -0.04 4.32 4.55 2x9rY1 THR 105 HG23 -0.05 0.04 -0.00 -0.04 1.22 1.16 2x9rY1 LEU 106 H -0.16 0.00 -0.34 -0.55 8.37 7.34 2x9rY1 LEU 106 HA -0.66 0.22 0.71 -0.75 4.35 3.87 2x9rY1 LEU 106 HB2 -0.09 0.09 -0.20 -0.04 1.64 1.41 2x9rY1 LEU 106 HB3 -0.11 -0.10 -0.05 -0.04 1.64 1.34 2x9rY1 LEU 106 HG -0.04 -0.04 -0.09 -0.04 1.64 1.44 2x9rY1 LEU 106 HD13 -0.33 -0.01 -0.18 -0.04 0.93 0.37 2x9rY1 LEU 106 HD23 -0.21 -0.04 -0.10 -0.04 0.89 0.50 2x9rY1 LEU 107 H -0.18 0.28 0.14 -0.55 8.37 8.08 2x9rY1 LEU 107 HA -0.18 0.12 0.87 -0.75 4.35 4.40 2x9rY1 LEU 107 HB2 -0.09 -0.01 0.11 -0.04 1.64 1.61 2x9rY1 LEU 107 HB3 -0.04 0.07 0.08 -0.04 1.64 1.71 2x9rY1 LEU 107 HG -0.05 -0.04 0.10 -0.04 1.64 1.61 2x9rY1 LEU 107 HD13 0.03 -0.01 0.00 -0.04 0.93 0.91 2x9rY1 LEU 107 HD23 -0.01 -0.01 0.09 -0.04 0.89 0.92 2x9rY1 ASN 108 H -0.20 0.07 -0.21 -0.55 8.53 7.65 2x9rY1 ASN 108 HA 0.03 0.15 0.67 -0.75 4.76 4.86 2x9rY1 ASN 108 HB2 0.01 0.07 0.09 -0.04 2.88 3.00 2x9rY1 ASN 108 HB3 0.07 -0.03 0.20 -0.04 2.79 2.99 2x9rY1 ASN 108 HD21 0.00 -0.07 0.06 -0.04 7.03 6.99 2x9rY1 ASN 108 HD22 0.02 -0.04 0.08 -0.04 7.74 7.77 2x9rY1 PHE 109 H 0.05 0.09 -0.66 -0.55 8.34 7.27 2x9rY1 PHE 109 HA 0.03 0.24 0.65 -0.75 4.62 4.79 2x9rY1 PHE 109 HB2 0.05 -0.08 -0.05 -0.04 3.15 3.03 2x9rY1 PHE 109 HB3 0.10 -0.04 -0.17 -0.04 3.06 2.92 2x9rY1 PHE 109 HD2 -0.04 -0.02 -0.29 -0.04 7.28 6.89 2x9rY1 PHE 109 HE2 -0.07 0.10 -0.01 -0.04 7.38 7.36 2x9rY1 PHE 109 HZ -0.03 0.03 0.04 -0.04 7.32 7.32 2x9rY1 PRO 110 HA 0.12 0.07 0.32 -0.51 4.44 4.43 2x9rY1 PRO 110 HB2 0.08 0.02 0.02 -0.04 2.28 2.35 2x9rY1 PRO 110 HB3 0.06 0.03 0.11 -0.04 2.02 2.18 2x9rY1 PRO 110 HG2 0.09 0.03 -0.01 -0.04 2.03 2.11 2x9rY1 PRO 110 HG3 0.03 0.06 0.05 -0.04 2.03 2.14 2x9rY1 PRO 110 HD2 0.06 0.09 0.18 -0.04 3.68 3.97 2x9rY1 PRO 110 HD3 0.09 0.20 0.19 -0.04 3.65 4.08 2x9rY1 HIS 111 H 0.28 0.05 -0.80 -0.55 8.41 7.40 2x9rY1 HIS 111 HA 0.07 0.04 0.53 -0.75 4.63 4.51 2x9rY1 HIS 111 HB2 0.02 0.03 -0.36 -0.04 3.26 2.92 2x9rY1 HIS 111 HB3 -0.02 0.04 0.11 -0.04 3.20 3.29 2x9rY1 HIS 111 HD2 -0.13 0.03 -0.12 -0.04 6.97 6.70 2x9rY1 HIS 111 HE1 -0.01 -0.03 0.02 -0.04 7.75 7.68 2x9rY1 ALA 112 H 0.13 0.33 0.02 -0.55 8.40 8.33 2x9rY1 ALA 112 HA 0.42 0.22 0.81 -0.75 4.34 5.03 2x9rY1 ALA 112 HB3 0.20 0.00 0.07 -0.04 1.41 1.64 2x9rY1 GLU 113 H -0.08 0.05 -0.09 -0.55 8.60 7.93 2x9rY1 GLU 113 HA -0.03 0.05 0.61 -0.75 4.29 4.17 2x9rY1 GLU 113 HB2 -0.15 -0.15 0.21 -0.04 2.09 1.96 2x9rY1 GLU 113 HB3 -0.06 0.00 0.08 -0.04 1.99 1.98 2x9rY1 GLU 113 HG2 -0.03 0.04 0.05 -0.04 2.34 2.37 2x9rY1 GLU 113 HG3 -0.06 -0.07 0.09 -0.04 2.34 2.27 2x9rY1 LYS 114 H -0.18 0.05 0.04 -0.55 8.42 7.77 2x9rY1 LYS 114 HA -0.05 -0.03 0.31 -0.75 4.32 3.80 2x9rY1 LYS 114 HB2 -0.18 -0.07 0.05 -0.04 1.87 1.64 2x9rY1 LYS 114 HB3 -0.05 0.15 0.01 -0.04 1.79 1.86 2x9rY1 LYS 114 HG2 -0.05 -0.11 0.09 -0.04 1.46 1.35 2x9rY1 LYS 114 HG3 -0.01 0.31 0.15 -0.04 1.46 1.86 2x9rY1 LYS 114 HD2 -0.02 -0.08 0.17 -0.04 1.69 1.72 2x9rY1 LYS 114 HD3 -0.02 -0.07 0.11 -0.04 1.68 1.65 2x9rY1 LYS 114 HE2 -0.00 -0.06 0.03 -0.04 2.99 2.92 2x9rY1 LYS 114 HE3 -0.00 -0.04 0.04 -0.04 2.99 2.94 2x9rY1 ASN 115 H -0.02 0.04 0.17 -0.55 8.53 8.17 2x9rY1 ASN 115 HA -0.04 0.13 0.52 -0.75 4.76 4.62 2x9rY1 ASN 115 HB2 -0.01 0.19 -0.01 -0.04 2.88 3.01 2x9rY1 ASN 115 HB3 -0.01 -0.13 0.11 -0.04 2.79 2.71 2x9rY1 ASN 115 HD21 -0.01 0.06 0.07 -0.04 7.03 7.11 2x9rY1 ASN 115 HD22 -0.01 -0.10 0.17 -0.04 7.74 7.76 2x9rY1 ALA 116 H -0.02 0.41 0.30 -0.55 8.40 8.55 2x9rY1 ALA 116 HA 0.01 0.14 0.77 -0.75 4.34 4.51 2x9rY1 ALA 116 HB3 0.15 0.00 -0.07 -0.04 1.41 1.45 2x9rY1 ILE 117 H 0.02 0.23 0.08 -0.55 8.25 8.03 2x9rY1 ILE 117 HA -0.00 0.27 1.12 -0.75 4.18 4.82 2x9rY1 ILE 117 HB -0.00 0.03 0.20 -0.04 1.89 2.07 2x9rY1 ILE 117 HG12 -0.00 -0.03 -0.12 -0.04 1.49 1.29 2x9rY1 ILE 117 HG13 -0.02 -0.08 -0.32 -0.04 1.21 0.75 2x9rY1 ILE 117 HG23 0.01 -0.02 -0.14 -0.04 0.93 0.74 2x9rY1 ILE 117 HD13 -0.01 -0.01 -0.12 -0.04 0.88 0.70 2x9rY1 LEU 118 H -0.02 0.49 0.30 -0.55 8.37 8.59 2x9rY1 LEU 118 HA -0.03 0.55 1.23 -0.75 4.35 5.34 2x9rY1 LEU 118 HB2 -0.05 -0.08 0.13 -0.04 1.64 1.60 2x9rY1 LEU 118 HB3 -0.10 -0.00 -0.03 -0.04 1.64 1.46 2x9rY1 LEU 118 HG -0.06 -0.11 -0.20 -0.04 1.64 1.23 2x9rY1 LEU 118 HD13 -0.26 -0.01 -0.06 -0.04 0.93 0.56 2x9rY1 LEU 118 HD23 -0.15 0.09 -0.02 -0.04 0.89 0.77 2x9rY1 THR 119 H -0.01 0.43 0.23 -0.55 8.28 8.38 2x9rY1 THR 119 HA -0.06 0.22 1.01 -0.75 4.39 4.80 2x9rY1 THR 119 HB 0.06 -0.04 0.19 -0.04 4.32 4.50 2x9rY1 THR 119 HG23 0.29 -0.01 -0.16 -0.04 1.22 1.30 2x9rY1 ILE 120 H -0.10 0.62 0.24 -0.55 8.25 8.46 2x9rY1 ILE 120 HA -0.04 0.39 1.06 -0.75 4.18 4.85 2x9rY1 ILE 120 HB -0.08 -0.00 0.18 -0.04 1.89 1.94 2x9rY1 ILE 120 HG12 -0.02 -0.02 -0.15 -0.04 1.49 1.26 2x9rY1 ILE 120 HG13 -0.08 0.04 -0.06 -0.04 1.21 1.08 2x9rY1 ILE 120 HG23 -0.13 0.00 -0.17 -0.04 0.93 0.59 2x9rY1 ILE 120 HD13 -0.08 -0.03 -0.32 -0.04 0.88 0.41 2x9rY1 GLN 121 H 0.02 0.48 0.28 -0.55 8.47 8.70 2x9rY1 GLN 121 HA 0.08 0.22 1.00 -0.75 4.36 4.91 2x9rY1 GLN 121 HB2 0.08 -0.04 0.12 -0.04 2.15 2.28 2x9rY1 GLN 121 HB3 0.07 0.11 0.07 -0.04 2.02 2.23 2x9rY1 GLN 121 HG2 0.26 0.10 0.11 -0.04 2.40 2.83 2x9rY1 GLN 121 HG3 0.36 -0.10 -0.21 -0.04 2.39 2.41 2x9rY1 GLN 121 HE21 -0.08 -0.04 -0.02 -0.04 6.97 6.79 2x9rY1 GLN 121 HE22 -0.01 0.05 0.01 -0.04 7.69 7.70 2x9rY1 PRO 122 HA 0.04 0.05 0.59 -0.51 4.44 4.62 2x9rY1 PRO 122 HB2 0.05 -0.09 -0.07 -0.04 2.28 2.13 2x9rY1 PRO 122 HB3 0.04 0.03 0.09 -0.04 2.02 2.14 2x9rY1 PRO 122 HG2 0.04 -0.06 0.06 -0.04 2.03 2.03 2x9rY1 PRO 122 HG3 0.04 0.15 0.25 -0.04 2.03 2.42 2x9rY1 PRO 122 HD2 0.08 0.14 0.38 -0.04 3.68 4.23 2x9rY1 PRO 122 HD3 0.04 0.16 0.16 -0.04 3.65 3.96 2x9rY1 GLY 123 H 0.11 0.25 0.19 -0.55 8.43 8.43 2x9rY1 GLY 123 HA2 0.06 0.13 0.64 -0.51 4.01 4.34 2x9rY1 GLY 123 HA3 0.10 -0.03 0.35 -0.51 4.01 3.92 2x9rY1 ALA 124 H 0.09 0.28 0.22 -0.55 8.40 8.44 2x9rY1 ALA 124 HA 0.14 0.00 0.61 -0.75 4.34 4.34 2x9rY1 ALA 124 HB3 0.06 0.03 0.13 -0.04 1.41 1.59 2x9rY1 GLY 125 H 0.17 0.16 0.30 -0.55 8.43 8.51 2x9rY1 GLY 125 HA2 0.09 0.11 0.48 -0.51 4.01 4.19 2x9rY1 GLY 125 HA3 0.07 0.18 1.08 -0.51 4.01 4.83 2x9rY1 GLY 126 H 0.08 0.30 0.18 -0.55 8.43 8.45 2x9rY1 GLY 126 HA2 0.02 0.21 0.39 -0.51 4.01 4.13 2x9rY1 GLY 126 HA3 0.01 -0.00 0.47 -0.51 4.01 3.98 2x9rY1 THR 127 H -0.05 0.15 0.26 -0.55 8.28 8.10 2x9rY1 THR 127 HA -0.16 0.04 0.44 -0.75 4.39 3.96 2x9rY1 THR 127 HB -0.12 0.05 0.15 -0.04 4.32 4.36 2x9rY1 THR 127 HG23 -0.44 -0.03 0.07 -0.04 1.22 0.78 2x9rY1 GLU 128 H -0.06 0.37 -0.48 -0.55 8.60 7.89 2x9rY1 GLU 128 HA -0.09 0.12 0.72 -0.75 4.29 4.28 2x9rY1 GLU 128 HB2 0.13 -0.03 0.04 -0.04 2.09 2.19 2x9rY1 GLU 128 HB3 0.02 0.09 0.11 -0.04 1.99 2.18 2x9rY1 GLU 128 HG2 0.07 -0.05 -0.24 -0.04 2.34 2.08 2x9rY1 GLU 128 HG3 0.31 -0.02 -0.04 -0.04 2.34 2.54 2x9rY1 ALA 129 H 0.03 0.16 -0.40 -0.55 8.40 7.64 2x9rY1 ALA 129 HA 0.17 -0.03 0.30 -0.75 4.34 4.02 2x9rY1 ALA 129 HB3 0.11 0.07 -0.12 -0.04 1.41 1.44 2x9rY1 CYS 130 H 0.00 0.48 -0.57 -0.55 8.50 7.87 2x9rY1 CYS 130 HA 0.04 0.14 0.54 -0.75 4.58 4.54 2x9rY1 CYS 130 HB2 -0.06 0.29 0.10 -0.04 2.97 3.26 2x9rY1 CYS 130 HB3 -0.01 -0.32 0.11 -0.04 2.97 2.71 2x9rY1 ASP 131 H 0.01 0.47 -0.15 -0.55 8.40 8.18 2x9rY1 ASP 131 HA 0.07 -0.02 0.41 -0.75 4.63 4.32 2x9rY1 ASP 131 HB2 0.02 0.09 0.11 -0.04 2.71 2.89 2x9rY1 ASP 131 HB3 0.18 0.06 0.07 -0.04 2.70 2.97 2x9rY1 TRP 132 H 0.26 0.42 -0.34 -0.55 7.97 7.76 2x9rY1 TRP 132 HA -0.07 -0.01 0.25 -0.75 4.62 4.03 2x9rY1 TRP 132 HB2 -0.06 -0.07 -0.06 -0.04 3.23 3.00 2x9rY1 TRP 132 HB3 -0.05 0.34 -0.01 -0.04 3.23 3.46 2x9rY1 TRP 132 HD1 -0.11 -0.08 -0.50 -0.04 7.22 6.49 2x9rY1 TRP 132 HE1 -0.14 0.16 -0.43 -0.04 10.20 9.75 2x9rY1 TRP 132 HE3 -0.14 -0.03 0.10 -0.04 7.59 7.48 2x9rY1 TRP 132 HZ2 -0.38 0.08 -0.25 -0.04 7.44 6.84 2x9rY1 TRP 132 HZ3 -0.26 -0.01 -0.11 -0.04 7.13 6.71 2x9rY1 TRP 132 HH2 -0.94 -0.03 -0.12 -0.04 7.19 6.06 2x9rY1 ALA 133 H 0.09 0.38 -0.37 -0.55 8.40 7.95 2x9rY1 ALA 133 HA -0.29 0.01 0.31 -0.75 4.34 3.62 2x9rY1 ALA 133 HB3 -0.06 0.07 -0.12 -0.04 1.41 1.26 2x9rY1 GLU 134 H 0.04 0.33 -0.53 -0.55 8.60 7.89 2x9rY1 GLU 134 HA -0.02 0.06 0.39 -0.75 4.29 3.97 2x9rY1 GLU 134 HB2 0.03 0.02 -0.04 -0.04 2.09 2.06 2x9rY1 GLU 134 HB3 0.05 0.03 -0.01 -0.04 1.99 2.02 2x9rY1 GLU 134 HG2 0.00 -0.01 0.01 -0.04 2.34 2.31 2x9rY1 GLU 134 HG3 0.02 0.05 0.06 -0.04 2.34 2.43 2x9rY1 MET 135 H 0.04 0.32 -0.52 -0.55 8.47 7.77 2x9rY1 MET 135 HA 0.02 0.13 0.70 -0.75 4.52 4.61 2x9rY1 MET 135 HB2 0.31 0.12 0.13 -0.04 2.15 2.66 2x9rY1 MET 135 HB3 0.13 -0.04 -0.03 -0.04 2.03 2.04 2x9rY1 MET 135 HG2 0.09 -0.01 -0.09 -0.04 2.63 2.58 2x9rY1 MET 135 HG3 0.18 0.29 -0.06 -0.04 2.56 2.93 2x9rY1 MET 135 HE3 0.04 -0.00 -0.07 -0.04 2.10 2.03 2x9rY1 LEU 136 H -0.30 0.65 0.11 -0.55 8.37 8.28 2x9rY1 LEU 136 HA -0.57 -0.01 0.28 -0.75 4.35 3.30 2x9rY1 LEU 136 HB2 -0.57 0.06 0.00 -0.04 1.64 1.10 2x9rY1 LEU 136 HB3 -0.55 0.02 -0.03 -0.04 1.64 1.04 2x9rY1 LEU 136 HG -2.16 0.05 -0.02 -0.04 1.64 -0.53 2x9rY1 LEU 136 HD13 -1.57 -0.00 -0.17 -0.04 0.93 -0.85 2x9rY1 LEU 136 HD23 -1.36 -0.02 -0.08 -0.04 0.89 -0.61 2x9rY1 LEU 137 H -0.13 0.16 -0.97 -0.55 8.37 6.88 2x9rY1 LEU 137 HA 0.02 0.09 0.45 -0.75 4.35 4.16 2x9rY1 LEU 137 HB2 -0.06 0.44 0.09 -0.04 1.64 2.07 2x9rY1 LEU 137 HB3 -0.03 -0.02 -0.01 -0.04 1.64 1.54 2x9rY1 LEU 137 HG -0.03 0.01 -0.04 -0.04 1.64 1.53 2x9rY1 LEU 137 HD13 -0.05 0.01 -0.06 -0.04 0.93 0.79 2x9rY1 LEU 137 HD23 -0.00 -0.03 -0.18 -0.04 0.89 0.64 2x9rY1 ARG 138 H -0.04 0.32 -0.11 -0.55 8.46 8.07 2x9rY1 ARG 138 HA 0.00 -0.01 0.36 -0.75 4.34 3.94 2x9rY1 ARG 138 HB2 -0.00 -0.01 0.03 -0.04 1.90 1.88 2x9rY1 ARG 138 HB3 -0.00 -0.02 0.12 -0.04 1.80 1.86 2x9rY1 ARG 138 HG2 -0.01 0.33 0.33 -0.04 1.67 2.28 2x9rY1 ARG 138 HG3 -0.04 0.41 0.23 -0.04 1.67 2.23 2x9rY1 ARG 138 HD2 0.01 -0.05 0.05 -0.04 3.22 3.18 2x9rY1 ARG 138 HD3 0.02 -0.06 0.08 -0.04 3.22 3.21 2x9rY1 MET 139 H -0.15 0.48 -0.60 -0.55 8.47 7.65 2x9rY1 MET 139 HA -0.10 0.07 0.17 -0.75 4.52 3.91 2x9rY1 MET 139 HB2 -0.25 0.04 -0.12 -0.04 2.15 1.78 2x9rY1 MET 139 HB3 -0.62 0.18 -0.01 -0.04 2.03 1.54 2x9rY1 MET 139 HG2 -0.54 0.02 -0.29 -0.04 2.63 1.78 2x9rY1 MET 139 HG3 -0.17 -0.06 -0.12 -0.04 2.56 2.17 2x9rY1 MET 139 HE3 -0.75 0.01 -0.13 -0.04 2.10 1.19 2x9rY1 TYR 140 H -0.13 0.47 -0.29 -0.55 8.29 7.78 2x9rY1 TYR 140 HA 0.11 0.03 0.58 -0.75 4.56 4.52 2x9rY1 TYR 140 HB2 -0.03 0.12 0.09 -0.04 3.06 3.20 2x9rY1 TYR 140 HB3 0.05 -0.06 0.04 -0.04 2.98 2.98 2x9rY1 TYR 140 HD2 -0.16 0.01 -0.01 -0.04 7.15 6.95 2x9rY1 TYR 140 HE2 -0.33 -0.06 -0.06 -0.04 6.85 6.36 2x9rY1 THR 141 H 0.07 0.27 -0.45 -0.55 8.28 7.62 2x9rY1 THR 141 HA 0.11 0.05 0.37 -0.75 4.39 4.16 2x9rY1 THR 141 HB 0.04 0.07 0.08 -0.04 4.32 4.47 2x9rY1 THR 141 HG23 0.04 -0.02 -0.12 -0.04 1.22 1.08 2x9rY1 ARG 142 H 0.07 0.51 -0.15 -0.55 8.46 8.34 2x9rY1 ARG 142 HA 0.05 0.04 0.34 -0.75 4.34 4.02 2x9rY1 ARG 142 HB2 0.07 0.01 -0.21 -0.04 1.90 1.73 2x9rY1 ARG 142 HB3 0.06 0.06 -0.00 -0.04 1.80 1.88 2x9rY1 ARG 142 HG2 0.03 -0.07 0.00 -0.04 1.67 1.59 2x9rY1 ARG 142 HG3 0.03 0.02 0.03 -0.04 1.67 1.71 2x9rY1 ARG 142 HD2 0.02 0.02 0.00 -0.04 3.22 3.22 2x9rY1 ARG 142 HD3 0.03 0.05 0.09 -0.04 3.22 3.35 2x9rY1 PHE 143 H 0.25 0.33 -0.21 -0.55 8.34 8.15 2x9rY1 PHE 143 HA 0.08 0.01 0.41 -0.75 4.62 4.36 2x9rY1 PHE 143 HB2 0.11 0.08 0.25 -0.04 3.15 3.54 2x9rY1 PHE 143 HB3 0.17 0.03 0.11 -0.04 3.06 3.33 2x9rY1 PHE 143 HD2 0.16 0.09 0.06 -0.04 7.28 7.55 2x9rY1 PHE 143 HE2 0.14 -0.06 -0.11 -0.04 7.38 7.31 2x9rY1 PHE 143 HZ 0.18 0.05 -0.08 -0.04 7.32 7.43 2x9rY1 ALA 144 H 0.27 0.42 -0.32 -0.55 8.40 8.22 2x9rY1 ALA 144 HA 0.06 -0.00 0.42 -0.75 4.34 4.06 2x9rY1 ALA 144 HB3 0.19 0.03 -0.02 -0.04 1.41 1.57 2x9rY1 GLU 145 H 0.05 0.31 -0.61 -0.55 8.60 7.81 2x9rY1 GLU 145 HA 0.00 0.30 0.66 -0.75 4.29 4.49 2x9rY1 GLU 145 HB2 0.03 0.02 0.14 -0.04 2.09 2.25 2x9rY1 GLU 145 HB3 0.01 -0.12 0.10 -0.04 1.99 1.94 2x9rY1 GLU 145 HG2 0.03 -0.01 -0.03 -0.04 2.34 2.29 2x9rY1 GLU 145 HG3 0.05 0.15 -0.08 -0.04 2.34 2.43 2x9rY1 ARG 146 H -0.07 0.38 -0.21 -0.55 8.46 8.00 2x9rY1 ARG 146 HA -0.05 0.12 0.82 -0.75 4.34 4.47 2x9rY1 ARG 146 HB2 -0.05 0.05 0.15 -0.04 1.90 2.01 2x9rY1 ARG 146 HB3 -0.03 -0.10 0.02 -0.04 1.80 1.66 2x9rY1 ARG 146 HG2 0.00 -0.03 -0.09 -0.04 1.67 1.51 2x9rY1 ARG 146 HG3 0.03 0.33 -0.21 -0.04 1.67 1.79 2x9rY1 ARG 146 HD2 0.06 0.10 -0.10 -0.04 3.22 3.24 2x9rY1 ARG 146 HD3 0.05 -0.09 -0.08 -0.04 3.22 3.06 2x9rY1 GLN 147 H -0.27 0.42 0.12 -0.55 8.47 8.20 2x9rY1 GLN 147 HA -0.26 0.03 0.40 -0.75 4.36 3.77 2x9rY1 GLN 147 HB2 -0.51 0.11 0.15 -0.04 2.15 1.85 2x9rY1 GLN 147 HB3 -0.93 0.01 0.12 -0.04 2.02 1.18 2x9rY1 GLN 147 HG2 -0.10 0.01 0.06 -0.04 2.40 2.33 2x9rY1 GLN 147 HG3 -0.14 -0.03 0.09 -0.04 2.39 2.27 2x9rY1 GLN 147 HE21 0.03 -0.06 -0.02 -0.04 6.97 6.87 2x9rY1 GLN 147 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.64 2x9rY1 GLY 148 H -0.26 0.10 -1.15 -0.55 8.43 6.57 2x9rY1 GLY 148 HA2 -0.17 0.01 0.21 -0.51 4.01 3.56 2x9rY1 GLY 148 HA3 -0.30 0.10 0.75 -0.51 4.01 4.04 2x9rY1 PHE 149 H -1.01 0.06 -0.31 -0.55 8.34 6.53 2x9rY1 PHE 149 HA -0.03 -0.18 0.21 -0.75 4.62 3.87 2x9rY1 PHE 149 HB2 -0.06 0.10 0.04 -0.04 3.15 3.20 2x9rY1 PHE 149 HB3 -0.02 0.26 0.09 -0.04 3.06 3.35 2x9rY1 PHE 149 HD2 -0.13 -0.22 0.12 -0.04 7.28 7.01 2x9rY1 PHE 149 HE2 -0.17 0.07 -0.10 -0.04 7.38 7.14 2x9rY1 PHE 149 HZ -0.07 0.00 0.04 -0.04 7.32 7.25 2x9rY1 GLN 150 H 0.14 -0.08 0.05 -0.55 8.47 8.03 2x9rY1 GLN 150 HA 0.05 0.26 0.86 -0.75 4.36 4.78 2x9rY1 GLN 150 HB2 0.04 0.04 0.05 -0.04 2.15 2.24 2x9rY1 GLN 150 HB3 0.05 -0.13 0.05 -0.04 2.02 1.94 2x9rY1 GLN 150 HG2 0.03 0.12 0.08 -0.04 2.40 2.58 2x9rY1 GLN 150 HG3 0.02 0.04 0.15 -0.04 2.39 2.56 2x9rY1 GLN 150 HE21 0.01 -0.04 0.01 -0.04 6.97 6.91 2x9rY1 GLN 150 HE22 0.02 0.09 0.01 -0.04 7.69 7.77 2x9rY1 VAL 151 H 0.03 0.18 0.19 -0.55 8.24 8.09 2x9rY1 VAL 151 HA 0.04 0.27 1.11 -0.75 4.13 4.79 2x9rY1 VAL 151 HB 0.03 -0.03 -0.01 -0.04 2.12 2.06 2x9rY1 VAL 151 HG13 0.03 -0.02 -0.12 -0.04 0.97 0.82 2x9rY1 VAL 151 HG23 0.06 0.04 -0.28 -0.04 0.95 0.73 2x9rY1 GLU 152 H 0.01 0.36 0.18 -0.55 8.60 8.60 2x9rY1 GLU 152 HA 0.01 0.11 0.75 -0.75 4.29 4.40 2x9rY1 GLU 152 HB2 0.01 0.02 -0.08 -0.04 2.09 2.01 2x9rY1 GLU 152 HB3 0.01 0.04 0.25 -0.04 1.99 2.25 2x9rY1 GLU 152 HG2 0.00 -0.04 -0.22 -0.04 2.34 2.04 2x9rY1 GLU 152 HG3 0.01 0.03 -0.03 -0.04 2.34 2.31 2x9rY1 VAL 153 H 0.00 0.19 0.03 -0.55 8.24 7.91 2x9rY1 VAL 153 HA -0.02 0.07 0.63 -0.75 4.13 4.05 2x9rY1 VAL 153 HB -0.01 -0.01 0.07 -0.04 2.12 2.12 2x9rY1 VAL 153 HG13 -0.00 0.00 0.09 -0.04 0.97 1.02 2x9rY1 VAL 153 HG23 -0.03 0.01 -0.13 -0.04 0.95 0.76 2x9rY1 VAL 154 H -0.02 0.22 0.45 -0.55 8.24 8.34 2x9rY1 VAL 154 HA 0.00 -0.02 0.31 -0.75 4.13 3.67 2x9rY1 VAL 154 HB -0.01 0.02 -0.08 -0.04 2.12 2.00 2x9rY1 VAL 154 HG13 0.03 -0.01 -0.13 -0.04 0.97 0.82 2x9rY1 VAL 154 HG23 0.00 0.01 0.00 -0.04 0.95 0.93 2x9rY1 ASP 155 H -0.06 0.64 0.07 -0.55 8.40 8.51 2x9rY1 ASP 155 HA -0.00 0.13 0.57 -0.75 4.63 4.58 2x9rY1 ASP 155 HB2 0.06 0.04 -0.35 -0.04 2.71 2.42 2x9rY1 ASP 155 HB3 -0.05 -0.11 -0.09 -0.04 2.70 2.42 2x9rY1 LEU 156 H -0.01 0.21 0.09 -0.55 8.37 8.12 2x9rY1 LEU 156 HA -0.09 0.19 0.74 -0.75 4.35 4.43 2x9rY1 LEU 156 HB2 -0.06 0.14 0.00 -0.04 1.64 1.69 2x9rY1 LEU 156 HB3 -0.02 -0.04 -0.02 -0.04 1.64 1.52 2x9rY1 LEU 156 HG -0.04 0.02 -0.03 -0.04 1.64 1.55 2x9rY1 LEU 156 HD13 -0.02 -0.00 -0.04 -0.04 0.93 0.82 2x9rY1 LEU 156 HD23 -0.01 -0.00 -0.35 -0.04 0.89 0.49 2x9rY1 THR 157 H -0.00 0.51 0.31 -0.55 8.28 8.56 2x9rY1 THR 157 HA 0.02 0.22 0.95 -0.75 4.39 4.82 2x9rY1 THR 157 HB 0.05 0.02 -0.09 -0.04 4.32 4.26 2x9rY1 THR 157 HG23 0.11 0.01 0.11 -0.04 1.22 1.41 2x9rY1 PRO 158 HA 0.00 0.06 0.39 -0.51 4.44 4.39 2x9rY1 PRO 158 HB2 0.00 -0.12 0.16 -0.04 2.28 2.28 2x9rY1 PRO 158 HB3 0.01 0.08 0.07 -0.04 2.02 2.13 2x9rY1 PRO 158 HG2 0.01 0.05 0.05 -0.04 2.03 2.09 2x9rY1 PRO 158 HG3 0.01 0.07 0.08 -0.04 2.03 2.15 2x9rY1 PRO 158 HD2 0.01 0.12 0.23 -0.04 3.68 4.00 2x9rY1 PRO 158 HD3 0.01 0.18 0.11 -0.04 3.65 3.91 2x9rY1 GLY 159 H 0.00 0.28 0.03 -0.55 8.43 8.20 2x9rY1 GLY 159 HA2 0.00 0.04 0.18 -0.51 4.01 3.73 2x9rY1 GLY 159 HA3 -0.00 0.11 0.45 -0.51 4.01 4.05 2x9rY1 PRO 160 HA -0.01 0.14 0.51 -0.51 4.44 4.57 2x9rY1 PRO 160 HB2 -0.02 -0.01 0.14 -0.04 2.28 2.35 2x9rY1 PRO 160 HB3 -0.01 0.05 0.09 -0.04 2.02 2.12 2x9rY1 PRO 160 HG2 -0.04 -0.11 0.12 -0.04 2.03 1.96 2x9rY1 PRO 160 HG3 -0.02 0.07 0.08 -0.04 2.03 2.12 2x9rY1 PRO 160 HD2 -0.01 0.16 0.10 -0.04 3.68 3.89 2x9rY1 PRO 160 HD3 -0.01 0.15 0.11 -0.04 3.65 3.86 2x9rY1 GLU 161 H -0.05 0.04 0.08 -0.55 8.60 8.12 2x9rY1 GLU 161 HA -0.02 0.16 0.62 -0.75 4.29 4.30 2x9rY1 GLU 161 HB2 -0.13 -0.10 0.25 -0.04 2.09 2.07 2x9rY1 GLU 161 HB3 -0.09 0.05 0.04 -0.04 1.99 1.96 2x9rY1 GLU 161 HG2 -0.01 0.04 0.02 -0.04 2.34 2.35 2x9rY1 GLU 161 HG3 -0.03 -0.05 0.09 -0.04 2.34 2.31 2x9rY1 ALA 162 H -0.21 0.14 0.12 -0.55 8.40 7.91 2x9rY1 ALA 162 HA -0.06 0.12 0.44 -0.75 4.34 4.09 2x9rY1 ALA 162 HB3 -0.32 0.04 -0.06 -0.04 1.41 1.03 2x9rY1 GLY 163 H -0.02 0.21 0.00 -0.55 8.43 8.08 2x9rY1 GLY 163 HA2 0.01 -0.01 0.13 -0.51 4.01 3.63 2x9rY1 GLY 163 HA3 -0.05 0.06 0.50 -0.51 4.01 4.01 2x9rY1 ILE 164 H -0.01 0.24 -0.08 -0.55 8.25 7.86 2x9rY1 ILE 164 HA 0.00 -0.01 0.36 -0.75 4.18 3.78 2x9rY1 ILE 164 HB -0.00 0.14 -0.15 -0.04 1.89 1.83 2x9rY1 ILE 164 HG12 -0.01 -0.02 -0.27 -0.04 1.49 1.14 2x9rY1 ILE 164 HG13 -0.01 -0.03 -0.09 -0.04 1.21 1.04 2x9rY1 ILE 164 HG23 -0.01 0.11 -0.30 -0.04 0.93 0.69 2x9rY1 ILE 164 HD13 -0.04 0.00 -0.15 -0.04 0.88 0.65 2x9rY1 ASP 165 H 0.02 0.80 0.49 -0.55 8.40 9.16 2x9rY1 ASP 165 HA 0.04 0.02 0.79 -0.75 4.63 4.73 2x9rY1 ASP 165 HB2 0.03 0.32 0.22 -0.04 2.71 3.23 2x9rY1 ASP 165 HB3 0.07 -0.07 0.19 -0.04 2.70 2.85 2x9rY1 TYR 166 H 0.09 0.28 0.27 -0.55 8.29 8.38 2x9rY1 TYR 166 HA -0.01 0.23 0.75 -0.75 4.56 4.78 2x9rY1 TYR 166 HB2 -0.00 0.08 -0.12 -0.04 3.06 2.98 2x9rY1 TYR 166 HB3 -0.00 -0.08 0.03 -0.04 2.98 2.89 2x9rY1 TYR 166 HD2 -0.01 0.01 -0.11 -0.04 7.15 7.01 2x9rY1 TYR 166 HE2 -0.01 0.00 -0.15 -0.04 6.85 6.66 2x9rY1 ALA 167 H -0.34 0.44 0.08 -0.55 8.40 8.04 2x9rY1 ALA 167 HA -0.34 0.16 0.87 -0.75 4.34 4.27 2x9rY1 ALA 167 HB3 -0.13 0.02 0.03 -0.04 1.41 1.28 2x9rY1 GLN 168 H -0.39 0.42 0.14 -0.55 8.47 8.10 2x9rY1 GLN 168 HA -0.20 0.36 1.09 -0.75 4.36 4.86 2x9rY1 GLN 168 HB2 -0.30 -0.02 -0.09 -0.04 2.15 1.70 2x9rY1 GLN 168 HB3 -0.15 -0.08 0.04 -0.04 2.02 1.80 2x9rY1 GLN 168 HG2 -0.02 0.03 -0.24 -0.04 2.40 2.12 2x9rY1 GLN 168 HG3 0.03 0.03 -0.11 -0.04 2.39 2.30 2x9rY1 GLN 168 HE21 0.05 0.00 -0.10 -0.04 6.97 6.88 2x9rY1 GLN 168 HE22 0.04 0.04 -0.13 -0.04 7.69 7.59 2x9rY1 ILE 169 H -0.06 0.55 0.34 -0.55 8.25 8.54 2x9rY1 ILE 169 HA -0.03 -0.03 1.08 -0.75 4.18 4.44 2x9rY1 ILE 169 HB -0.02 0.03 -0.02 -0.04 1.89 1.84 2x9rY1 ILE 169 HG12 -0.04 0.03 -0.11 -0.04 1.49 1.33 2x9rY1 ILE 169 HG13 -0.07 -0.04 -0.62 -0.04 1.21 0.44 2x9rY1 ILE 169 HG23 0.00 0.01 -0.29 -0.04 0.93 0.61 2x9rY1 ILE 169 HD13 -0.01 -0.00 -0.14 -0.04 0.88 0.69 2x9rY1 LEU 170 H -0.00 0.68 0.39 -0.55 8.37 8.89 2x9rY1 LEU 170 HA -0.00 0.31 1.12 -0.75 4.35 5.03 2x9rY1 LEU 170 HB2 0.00 0.00 0.03 -0.04 1.64 1.63 2x9rY1 LEU 170 HB3 0.00 -0.00 0.21 -0.04 1.64 1.81 2x9rY1 LEU 170 HG 0.00 -0.08 -0.31 -0.04 1.64 1.22 2x9rY1 LEU 170 HD13 -0.00 0.00 -0.06 -0.04 0.93 0.83 2x9rY1 LEU 170 HD23 0.00 -0.01 -0.07 -0.04 0.89 0.77 2x9rY1 VAL 171 H -0.00 0.59 0.30 -0.55 8.24 8.58 2x9rY1 VAL 171 HA 0.02 0.22 1.15 -0.75 4.13 4.77 2x9rY1 VAL 171 HB -0.01 -0.06 0.09 -0.04 2.12 2.11 2x9rY1 VAL 171 HG13 0.03 0.15 -0.09 -0.04 0.97 1.01 2x9rY1 VAL 171 HG23 0.05 -0.04 -0.19 -0.04 0.95 0.72 2x9rY1 LYS 172 H 0.04 0.29 0.17 -0.55 8.42 8.37 2x9rY1 LYS 172 HA -0.02 0.11 0.80 -0.75 4.32 4.46 2x9rY1 LYS 172 HB2 0.05 -0.01 0.14 -0.04 1.87 2.01 2x9rY1 LYS 172 HB3 0.03 -0.16 0.20 -0.04 1.79 1.82 2x9rY1 LYS 172 HG2 0.02 -0.00 -0.01 -0.04 1.46 1.42 2x9rY1 LYS 172 HG3 0.01 0.01 -0.14 -0.04 1.46 1.30 2x9rY1 LYS 172 HD2 0.02 0.02 -0.15 -0.04 1.69 1.54 2x9rY1 LYS 172 HD3 0.03 -0.01 -0.08 -0.04 1.68 1.58 2x9rY1 LYS 172 HE2 0.01 -0.02 -0.07 -0.04 2.99 2.87 2x9rY1 LYS 172 HE3 0.01 -0.00 -0.15 -0.04 2.99 2.81 2x9rY1 GLY 173 H 0.07 0.02 0.08 -0.55 8.43 8.05 2x9rY1 GLY 173 HA2 0.19 -0.07 0.39 -0.51 4.01 4.00 2x9rY1 GLY 173 HA3 0.65 0.19 0.60 -0.51 4.01 4.94 2x9rY1 GLU 174 H 0.13 0.03 0.09 -0.55 8.60 8.30 2x9rY1 GLU 174 HA 0.05 -0.07 0.32 -0.75 4.29 3.84 2x9rY1 GLU 174 HB2 0.11 0.06 0.04 -0.04 2.09 2.26 2x9rY1 GLU 174 HB3 0.06 0.02 0.02 -0.04 1.99 2.05 2x9rY1 GLU 174 HG2 0.04 -0.02 0.08 -0.04 2.34 2.40 2x9rY1 GLU 174 HG3 0.06 -0.06 0.12 -0.04 2.34 2.42 2x9rY1 ASN 175 H 0.00 -0.00 0.19 -0.55 8.53 8.17 2x9rY1 ASN 175 HA -0.03 0.18 0.56 -0.75 4.76 4.71 2x9rY1 ASN 175 HB2 -0.03 0.01 -0.10 -0.04 2.88 2.72 2x9rY1 ASN 175 HB3 -0.11 0.02 0.16 -0.04 2.79 2.82 2x9rY1 ASN 175 HD21 -0.01 -0.01 0.01 -0.04 7.03 6.98 2x9rY1 ASN 175 HD22 -0.01 -0.01 -0.06 -0.04 7.74 7.62 2x9rY1 ALA 176 H -0.08 0.26 0.07 -0.55 8.40 8.11 2x9rY1 ALA 176 HA -0.51 0.20 0.88 -0.75 4.34 4.16 2x9rY1 ALA 176 HB3 -0.32 0.09 -0.02 -0.04 1.41 1.12 2x9rY1 TYR 177 H 0.08 0.42 0.05 -0.55 8.29 8.29 2x9rY1 TYR 177 HA -0.02 -0.01 0.32 -0.75 4.56 4.10 2x9rY1 TYR 177 HB2 0.00 0.10 -0.09 -0.04 3.06 3.03 2x9rY1 TYR 177 HB3 0.03 -0.05 0.06 -0.04 2.98 2.98 2x9rY1 TYR 177 HD2 0.07 -0.01 -0.09 -0.04 7.15 7.08 2x9rY1 TYR 177 HE2 0.01 0.05 -0.22 -0.04 6.85 6.65 2x9rY1 GLY 178 H 0.06 0.26 -0.20 -0.55 8.43 8.01 2x9rY1 GLY 178 HA2 0.23 0.00 0.32 -0.51 4.01 4.06 2x9rY1 GLY 178 HA3 -0.09 0.17 0.29 -0.51 4.01 3.87 2x9rY1 LEU 179 H -0.02 0.47 -0.58 -0.55 8.37 7.69 2x9rY1 LEU 179 HA 0.11 0.10 0.72 -0.75 4.35 4.53 2x9rY1 LEU 179 HB2 0.05 0.22 0.16 -0.04 1.64 2.03 2x9rY1 LEU 179 HB3 0.40 -0.11 0.01 -0.04 1.64 1.90 2x9rY1 LEU 179 HG 0.20 -0.10 0.01 -0.04 1.64 1.71 2x9rY1 LEU 179 HD13 -0.02 0.08 -0.06 -0.04 0.93 0.89 2x9rY1 LEU 179 HD23 0.26 -0.01 0.06 -0.04 0.89 1.16 2x9rY1 LEU 180 H -0.02 0.34 0.02 -0.55 8.37 8.17 2x9rY1 LEU 180 HA -0.02 0.09 0.81 -0.75 4.35 4.47 2x9rY1 LEU 180 HB2 0.01 0.00 -0.01 -0.04 1.64 1.59 2x9rY1 LEU 180 HB3 -0.08 0.02 -0.01 -0.04 1.64 1.54 2x9rY1 LEU 180 HG 0.19 0.02 -0.14 -0.04 1.64 1.67 2x9rY1 LEU 180 HD13 0.04 -0.01 -0.09 -0.04 0.93 0.82 2x9rY1 LEU 180 HD23 0.05 0.01 -0.06 -0.04 0.89 0.84 2x9rY1 SER 181 H -0.23 0.49 -0.06 -0.55 8.46 8.11 2x9rY1 SER 181 HA -0.26 0.04 0.33 -0.75 4.49 3.84 2x9rY1 SER 181 HB2 -0.20 0.05 -0.00 -0.04 3.95 3.76 2x9rY1 SER 181 HB3 -0.43 -0.04 -0.04 -0.04 3.93 3.38 2x9rY1 PRO 182 HA 0.06 0.06 0.40 -0.51 4.44 4.44 2x9rY1 PRO 182 HB2 0.09 -0.11 -0.08 -0.04 2.28 2.14 2x9rY1 PRO 182 HB3 0.12 0.08 -0.15 -0.04 2.02 2.03 2x9rY1 PRO 182 HG2 0.05 -0.07 -0.08 -0.04 2.03 1.89 2x9rY1 PRO 182 HG3 0.11 0.09 -0.02 -0.04 2.03 2.17 2x9rY1 PRO 182 HD2 -0.01 -0.12 -0.68 -0.04 3.68 2.83 2x9rY1 PRO 182 HD3 0.11 0.21 -0.06 -0.04 3.65 3.87 2x9rY1 GLU 183 H 0.00 0.18 -0.38 -0.55 8.60 7.86 2x9rY1 GLU 183 HA 0.11 -0.06 0.36 -0.75 4.29 3.94 2x9rY1 GLU 183 HB2 -0.13 0.13 0.14 -0.04 2.09 2.19 2x9rY1 GLU 183 HB3 0.10 -0.08 0.09 -0.04 1.99 2.06 2x9rY1 GLU 183 HG2 0.00 0.08 0.02 -0.04 2.34 2.40 2x9rY1 GLU 183 HG3 0.01 -0.02 -0.00 -0.04 2.34 2.28 2x9rY1 ALA 184 H 0.03 0.76 -0.02 -0.55 8.40 8.62 2x9rY1 ALA 184 HA 0.03 0.30 1.00 -0.75 4.34 4.92 2x9rY1 ALA 184 HB3 0.02 0.00 0.11 -0.04 1.41 1.50 2x9rY1 GLY 185 H 0.04 0.51 0.35 -0.55 8.43 8.79 2x9rY1 GLY 185 HA2 0.00 0.10 0.30 -0.51 4.01 3.91 2x9rY1 GLY 185 HA3 -0.06 0.05 0.64 -0.51 4.01 4.13 2x9rY1 VAL 186 H -0.05 0.17 0.17 -0.55 8.24 7.99 2x9rY1 VAL 186 HA 0.07 0.27 1.08 -0.75 4.13 4.79 2x9rY1 VAL 186 HB 0.07 0.20 0.23 -0.04 2.12 2.57 2x9rY1 VAL 186 HG13 0.20 -0.03 -0.23 -0.04 0.97 0.88 2x9rY1 VAL 186 HG23 0.05 -0.05 -0.16 -0.04 0.95 0.76 2x9rY1 HIS 187 H 0.21 0.60 0.37 -0.55 8.41 9.04 2x9rY1 HIS 187 HA 0.17 0.09 1.00 -0.75 4.63 5.14 2x9rY1 HIS 187 HB2 -0.42 0.03 0.10 -0.04 3.26 2.94 2x9rY1 HIS 187 HB3 0.10 0.01 0.05 -0.04 3.20 3.33 2x9rY1 HIS 187 HD2 0.45 -0.06 -0.08 -0.04 6.97 7.24 2x9rY1 HIS 187 HE1 -0.01 0.17 -0.10 -0.04 7.75 7.77 2x9rY1 ARG 188 H 0.28 0.36 0.43 -0.55 8.46 8.98 2x9rY1 ARG 188 HA -0.04 0.40 1.07 -0.75 4.34 5.02 2x9rY1 ARG 188 HB2 -0.19 -0.03 0.04 -0.04 1.90 1.68 2x9rY1 ARG 188 HB3 -0.06 -0.08 0.13 -0.04 1.80 1.75 2x9rY1 ARG 188 HG2 -0.47 0.04 0.02 -0.04 1.67 1.22 2x9rY1 ARG 188 HG3 -1.27 0.01 0.04 -0.04 1.67 0.42 2x9rY1 ARG 188 HD2 -0.31 -0.01 -0.06 -0.04 3.22 2.79 2x9rY1 ARG 188 HD3 -0.20 -0.04 -0.05 -0.04 3.22 2.89 2x9rY1 LEU 189 H -0.51 0.35 0.43 -0.55 8.37 8.10 2x9rY1 LEU 189 HA -0.46 0.54 1.06 -0.75 4.35 4.73 2x9rY1 LEU 189 HB2 -3.02 0.04 -0.13 -0.04 1.64 -1.51 2x9rY1 LEU 189 HB3 -1.73 -0.03 0.03 -0.04 1.64 -0.13 2x9rY1 LEU 189 HG -0.72 -0.06 -0.11 -0.04 1.64 0.71 2x9rY1 LEU 189 HD13 -1.26 -0.00 -0.15 -0.04 0.93 -0.52 2x9rY1 LEU 189 HD23 -0.47 -0.00 -0.50 -0.04 0.89 -0.12 2x9rY1 VAL 190 H -0.34 0.34 0.34 -0.55 8.24 8.03 2x9rY1 VAL 190 HA -0.21 0.48 1.11 -0.75 4.13 4.76 2x9rY1 VAL 190 HB -0.16 -0.12 0.19 -0.04 2.12 1.99 2x9rY1 VAL 190 HG13 -0.06 -0.00 -0.13 -0.04 0.97 0.73 2x9rY1 VAL 190 HG23 -0.15 0.01 -0.21 -0.04 0.95 0.55 2x9rY1 ARG 191 H -0.12 0.68 0.32 -0.55 8.46 8.78 2x9rY1 ARG 191 HA -0.09 0.02 0.51 -0.75 4.34 4.03 2x9rY1 ARG 191 HB2 -0.11 0.11 0.08 -0.04 1.90 1.95 2x9rY1 ARG 191 HB3 -0.18 -0.08 -0.15 -0.04 1.80 1.34 2x9rY1 ARG 191 HG2 -0.18 -0.01 -0.20 -0.04 1.67 1.24 2x9rY1 ARG 191 HG3 -0.17 -0.06 -0.25 -0.04 1.67 1.15 2x9rY1 ARG 191 HD2 -0.07 -0.02 -1.17 -0.04 3.22 1.92 2x9rY1 ARG 191 HD3 -0.09 0.05 -0.18 -0.04 3.22 2.96 2x9rY1 PRO 192 HA -0.04 0.20 0.53 -0.51 4.44 4.63 2x9rY1 PRO 192 HB2 -0.05 -0.02 0.11 -0.04 2.28 2.27 2x9rY1 PRO 192 HB3 -0.04 0.24 0.06 -0.04 2.02 2.24 2x9rY1 PRO 192 HG2 -0.04 0.06 0.05 -0.04 2.03 2.06 2x9rY1 PRO 192 HG3 -0.04 0.00 0.01 -0.04 2.03 1.96 2x9rY1 PRO 192 HD2 -0.06 0.13 0.15 -0.04 3.68 3.86 2x9rY1 PRO 192 HD3 -0.06 0.01 0.15 -0.04 3.65 3.71 2x9rY1 SER 193 H 0.06 0.37 0.21 -0.55 8.46 8.55 2x9rY1 SER 193 HA 0.03 0.04 0.30 -0.75 4.49 4.10 2x9rY1 SER 193 HB2 0.30 -0.00 0.03 -0.04 3.95 4.24 2x9rY1 SER 193 HB3 0.33 -0.03 -0.02 -0.04 3.93 4.17 2x9rY1 PRO 194 HA -0.21 0.13 0.44 -0.51 4.44 4.29 2x9rY1 PRO 194 HB2 -1.40 -0.03 0.04 -0.04 2.28 0.85 2x9rY1 PRO 194 HB3 -0.43 0.04 0.08 -0.04 2.02 1.68 2x9rY1 PRO 194 HG2 -0.43 0.00 0.05 -0.04 2.03 1.61 2x9rY1 PRO 194 HG3 -0.24 0.13 0.09 -0.04 2.03 1.97 2x9rY1 PRO 194 HD2 -0.37 -0.04 0.15 -0.04 3.68 3.38 2x9rY1 PRO 194 HD3 -0.12 0.23 0.18 -0.04 3.65 3.89 2x9rY1 PHE 195 H -0.62 0.10 -0.16 -0.55 8.34 7.10 2x9rY1 PHE 195 HA 0.01 0.14 0.39 -0.75 4.62 4.41 2x9rY1 PHE 195 HB2 0.00 -0.05 0.08 -0.04 3.15 3.13 2x9rY1 PHE 195 HB3 0.01 0.01 0.08 -0.04 3.06 3.12 2x9rY1 PHE 195 HD2 0.00 -0.01 -0.07 -0.04 7.28 7.16 2x9rY1 PHE 195 HE2 0.00 0.01 -0.03 -0.04 7.38 7.33 2x9rY1 PHE 195 HZ 0.01 0.01 -0.04 -0.04 7.32 7.26 2x9rY1 ASP 196 H 0.01 0.83 -0.63 -0.55 8.40 8.06 2x9rY1 ASP 196 HA 0.09 0.07 0.67 -0.75 4.63 4.71 2x9rY1 ASP 196 HB2 0.18 0.01 -0.25 -0.04 2.71 2.62 2x9rY1 ASP 196 HB3 0.09 0.26 -0.06 -0.04 2.70 2.95 2x9rY1 ALA 197 H 0.06 0.06 0.16 -0.55 8.40 8.13 2x9rY1 ALA 197 HA 0.02 0.24 0.68 -0.75 4.34 4.52 2x9rY1 ALA 197 HB3 0.03 0.00 0.09 -0.04 1.41 1.48 2x9rY1 SER 198 H 0.03 -0.01 0.11 -0.55 8.46 8.05 2x9rY1 SER 198 HA 0.01 0.17 0.51 -0.75 4.49 4.43 2x9rY1 SER 198 HB2 0.01 -0.14 0.10 -0.04 3.95 3.88 2x9rY1 SER 198 HB3 -0.00 0.06 0.04 -0.04 3.93 3.99 2x9rY1 GLY 199 H 0.03 -0.10 -0.35 -0.55 8.43 7.47 2x9rY1 GLY 199 HA2 0.00 0.28 0.13 -0.51 4.01 3.91 2x9rY1 GLY 199 HA3 -0.02 0.16 0.43 -0.51 4.01 4.07 2x9rY1 ARG 200 H -0.01 -0.15 -0.19 -0.55 8.46 7.56 2x9rY1 ARG 200 HA -0.08 0.07 0.21 -0.75 4.34 3.78 2x9rY1 ARG 200 HB2 -0.40 0.01 -0.11 -0.04 1.90 1.36 2x9rY1 ARG 200 HB3 -0.19 0.04 0.07 -0.04 1.80 1.68 2x9rY1 ARG 200 HG2 -0.04 0.07 0.01 -0.04 1.67 1.67 2x9rY1 ARG 200 HG3 -0.00 -0.20 0.04 -0.04 1.67 1.46 2x9rY1 ARG 200 HD2 0.09 -0.02 0.01 -0.04 3.22 3.26 2x9rY1 ARG 200 HD3 -0.04 0.07 0.01 -0.04 3.22 3.22 2x9rY1 ARG 201 H -0.13 0.09 0.13 -0.55 8.46 8.00 2x9rY1 ARG 201 HA -0.07 0.09 0.44 -0.75 4.34 4.04 2x9rY1 ARG 201 HB2 -0.05 0.01 0.09 -0.04 1.90 1.91 2x9rY1 ARG 201 HB3 -0.06 -0.02 0.09 -0.04 1.80 1.77 2x9rY1 ARG 201 HG2 -0.04 0.03 -0.14 -0.04 1.67 1.48 2x9rY1 ARG 201 HG3 -0.04 -0.01 -0.09 -0.04 1.67 1.48 2x9rY1 ARG 201 HD2 -0.01 0.02 -0.03 -0.04 3.22 3.15 2x9rY1 ARG 201 HD3 -0.01 0.01 -0.06 -0.04 3.22 3.12 2x9rY1 HIS 202 H 0.00 0.58 0.34 -0.55 8.41 8.80 2x9rY1 HIS 202 HA 0.04 0.17 1.00 -0.75 4.63 5.09 2x9rY1 HIS 202 HB2 0.00 -0.01 0.08 -0.04 3.26 3.30 2x9rY1 HIS 202 HB3 0.02 0.08 0.05 -0.04 3.20 3.31 2x9rY1 HIS 202 HD2 0.15 -0.04 0.14 -0.04 6.97 7.17 2x9rY1 HIS 202 HE1 0.06 -0.07 -0.03 -0.04 7.75 7.66 2x9rY1 THR 203 H 0.16 0.12 0.23 -0.55 8.28 8.24 2x9rY1 THR 203 HA -0.25 0.53 1.17 -0.75 4.39 5.07 2x9rY1 THR 203 HB -0.49 -0.05 0.04 -0.04 4.32 3.78 2x9rY1 THR 203 HG23 -0.76 0.01 0.03 -0.04 1.22 0.47 2x9rY1 SER 204 H -0.55 0.31 0.39 -0.55 8.46 8.07 2x9rY1 SER 204 HA -0.07 0.17 0.84 -0.75 4.49 4.69 2x9rY1 SER 204 HB2 -0.44 -0.04 -0.03 -0.04 3.95 3.41 2x9rY1 SER 204 HB3 0.07 0.01 0.02 -0.04 3.93 3.99 2x9rY1 PHE 205 H 0.27 0.88 0.41 -0.55 8.34 9.34 2x9rY1 PHE 205 HA 0.18 0.30 1.05 -0.75 4.62 5.40 2x9rY1 PHE 205 HB2 -0.04 -0.20 0.24 -0.04 3.15 3.11 2x9rY1 PHE 205 HB3 -0.01 -0.00 0.05 -0.04 3.06 3.06 2x9rY1 PHE 205 HD2 -0.25 0.03 -0.18 -0.04 7.28 6.84 2x9rY1 PHE 205 HE2 -1.29 -0.12 -0.10 -0.04 7.38 5.84 2x9rY1 PHE 205 HZ -0.64 -0.04 -0.06 -0.04 7.32 6.54 2x9rY1 ALA 206 H 0.17 0.41 0.24 -0.55 8.40 8.68 2x9rY1 ALA 206 HA 0.07 0.08 0.59 -0.75 4.34 4.32 2x9rY1 ALA 206 HB3 -0.15 0.05 -0.12 -0.04 1.41 1.15 2x9rY1 GLY 207 H 0.03 0.61 0.32 -0.55 8.43 8.84 2x9rY1 GLY 207 HA2 0.08 0.07 0.95 -0.51 4.01 4.60 2x9rY1 GLY 207 HA3 0.04 0.02 0.35 -0.51 4.01 3.91 2x9rY1 VAL 208 H 0.09 0.64 0.37 -0.55 8.24 8.78 2x9rY1 VAL 208 HA -0.02 0.19 1.00 -0.75 4.13 4.55 2x9rY1 VAL 208 HB 0.20 -0.02 0.22 -0.04 2.12 2.48 2x9rY1 VAL 208 HG13 -0.27 0.01 -0.10 -0.04 0.97 0.57 2x9rY1 VAL 208 HG23 -0.11 -0.03 -0.15 -0.04 0.95 0.62 2x9rY1 GLU 209 H 0.00 0.46 0.27 -0.55 8.60 8.79 2x9rY1 GLU 209 HA 0.03 0.16 0.84 -0.75 4.29 4.57 2x9rY1 GLU 209 HB2 0.03 -0.10 0.14 -0.04 2.09 2.12 2x9rY1 GLU 209 HB3 0.03 0.02 0.07 -0.04 1.99 2.06 2x9rY1 GLU 209 HG2 0.03 0.02 -0.03 -0.04 2.34 2.32 2x9rY1 GLU 209 HG3 0.03 -0.06 -0.14 -0.04 2.34 2.13 2x9rY1 VAL 210 H 0.06 0.22 0.15 -0.55 8.24 8.12 2x9rY1 VAL 210 HA 0.06 0.37 0.98 -0.75 4.13 4.79 2x9rY1 VAL 210 HB 0.16 0.01 0.08 -0.04 2.12 2.33 2x9rY1 VAL 210 HG13 0.19 -0.06 -0.33 -0.04 0.97 0.73 2x9rY1 VAL 210 HG23 -0.03 0.12 -0.33 -0.04 0.95 0.67 2x9rY1 ILE 211 H 0.03 0.41 0.25 -0.55 8.25 8.39 2x9rY1 ILE 211 HA -0.15 0.26 0.90 -0.75 4.18 4.44 2x9rY1 ILE 211 HB -0.08 0.05 0.00 -0.04 1.89 1.82 2x9rY1 ILE 211 HG12 0.00 -0.03 -0.02 -0.04 1.49 1.41 2x9rY1 ILE 211 HG13 -0.02 -0.03 0.05 -0.04 1.21 1.16 2x9rY1 ILE 211 HG23 -0.00 0.00 -0.12 -0.04 0.93 0.76 2x9rY1 ILE 211 HD13 -0.01 -0.00 -0.05 -0.04 0.88 0.77 2x9rY1 PRO 212 HA -0.15 0.18 0.66 -0.51 4.44 4.62 2x9rY1 PRO 212 HB2 -0.06 -0.03 -0.17 -0.04 2.28 1.98 2x9rY1 PRO 212 HB3 -0.55 0.03 -0.00 -0.04 2.02 1.45 2x9rY1 PRO 212 HG2 -0.17 -0.06 0.05 -0.04 2.03 1.81 2x9rY1 PRO 212 HG3 -0.46 0.14 0.07 -0.04 2.03 1.73 2x9rY1 PRO 212 HD2 -0.43 0.11 0.23 -0.04 3.68 3.55 2x9rY1 PRO 212 HD3 -2.01 0.18 0.11 -0.04 3.65 1.89 2x9rY1 GLU 213 H -0.04 0.56 0.12 -0.55 8.60 8.70 2x9rY1 GLU 213 HA -0.01 0.05 0.43 -0.75 4.29 4.00 2x9rY1 GLU 213 HB2 -0.01 0.01 0.01 -0.04 2.09 2.07 2x9rY1 GLU 213 HB3 -0.01 -0.11 0.18 -0.04 1.99 2.01 2x9rY1 GLU 213 HG2 0.01 0.07 -0.18 -0.04 2.34 2.19 2x9rY1 GLU 213 HG3 0.00 0.03 -0.07 -0.04 2.34 2.27 2x9rY1 VAL 214 H -0.00 0.21 0.15 -0.55 8.24 8.05 2x9rY1 VAL 214 HA 0.16 0.12 0.77 -0.75 4.13 4.42 2x9rY1 VAL 214 HB -0.07 0.08 -0.02 -0.04 2.12 2.07 2x9rY1 VAL 214 HG13 -0.07 -0.00 0.16 -0.04 0.97 1.02 2x9rY1 VAL 214 HG23 -0.08 -0.01 0.04 -0.04 0.95 0.86 2x9rY1 ASP 215 H -0.02 0.10 0.13 -0.55 8.40 8.06 2x9rY1 ASP 215 HA 0.01 -0.05 0.41 -0.75 4.63 4.25 2x9rY1 ASP 215 HB2 -0.02 -0.01 0.13 -0.04 2.71 2.78 2x9rY1 ASP 215 HB3 -0.01 0.04 0.09 -0.04 2.70 2.78 2x9rY1 GLU 216 H 0.01 -0.07 0.19 -0.55 8.60 8.19 2x9rY1 GLU 216 HA 0.01 0.26 1.00 -0.75 4.29 4.80 2x9rY1 GLU 216 HB2 0.01 -0.15 0.15 -0.04 2.09 2.06 2x9rY1 GLU 216 HB3 0.01 -0.01 -0.01 -0.04 1.99 1.93 2x9rY1 GLU 216 HG2 0.01 0.04 -0.20 -0.04 2.34 2.15 2x9rY1 GLU 216 HG3 0.02 0.26 -0.16 -0.04 2.34 2.41 2x9rY1 GLU 217 H 0.01 -0.02 0.15 -0.55 8.60 8.19 2x9rY1 GLU 217 HA 0.01 0.05 0.28 -0.75 4.29 3.88 2x9rY1 GLU 217 HB2 0.01 -0.02 0.08 -0.04 2.09 2.11 2x9rY1 GLU 217 HB3 0.01 -0.02 -0.02 -0.04 1.99 1.92 2x9rY1 GLU 217 HG2 0.01 -0.01 0.09 -0.04 2.34 2.38 2x9rY1 GLU 217 HG3 0.01 0.02 0.03 -0.04 2.34 2.35 2x9rY1 VAL 218 H 0.00 0.12 0.04 -0.55 8.24 7.85 2x9rY1 VAL 218 HA 0.04 0.20 0.79 -0.75 4.13 4.41 2x9rY1 VAL 218 HB 0.03 0.12 -0.03 -0.04 2.12 2.21 2x9rY1 VAL 218 HG13 -0.01 -0.02 0.12 -0.04 0.97 1.02 2x9rY1 VAL 218 HG23 -0.01 -0.00 -0.04 -0.04 0.95 0.85 2x9rY1 GLU 219 H 0.01 0.32 0.02 -0.55 8.60 8.41 2x9rY1 GLU 219 HA -0.06 0.14 0.71 -0.75 4.29 4.33 2x9rY1 GLU 219 HB2 -0.02 0.08 -0.07 -0.04 2.09 2.04 2x9rY1 GLU 219 HB3 -0.00 -0.03 -0.09 -0.04 1.99 1.82 2x9rY1 GLU 219 HG2 -0.02 -0.09 -0.07 -0.04 2.34 2.12 2x9rY1 GLU 219 HG3 -0.01 0.02 -0.07 -0.04 2.34 2.24 2x9rY1 VAL 220 H -0.05 0.18 -0.05 -0.55 8.24 7.77 2x9rY1 VAL 220 HA 0.00 0.13 0.55 -0.75 4.13 4.06 2x9rY1 VAL 220 HB -0.07 -0.01 0.13 -0.04 2.12 2.13 2x9rY1 VAL 220 HG13 0.03 -0.01 -0.06 -0.04 0.97 0.90 2x9rY1 VAL 220 HG23 0.03 0.02 -0.32 -0.04 0.95 0.64 2x9rY1 VAL 221 H -0.00 0.20 -0.02 -0.55 8.24 7.87 2x9rY1 VAL 221 HA -0.01 0.21 0.82 -0.75 4.13 4.39 2x9rY1 VAL 221 HB 0.00 0.01 0.18 -0.04 2.12 2.27 2x9rY1 VAL 221 HG13 -0.00 -0.00 -0.08 -0.04 0.97 0.85 2x9rY1 VAL 221 HG23 -0.01 0.00 -0.05 -0.04 0.95 0.85 2x9rY1 LEU 222 H 0.00 0.32 -0.08 -0.55 8.37 8.07 2x9rY1 LEU 222 HA 0.05 0.06 0.41 -0.75 4.35 4.12 2x9rY1 LEU 222 HB2 0.01 -0.01 0.14 -0.04 1.64 1.73 2x9rY1 LEU 222 HB3 0.08 0.01 -0.00 -0.04 1.64 1.69 2x9rY1 LEU 222 HG -0.06 0.00 -0.05 -0.04 1.64 1.49 2x9rY1 LEU 222 HD13 0.08 -0.00 -0.10 -0.04 0.93 0.87 2x9rY1 LEU 222 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.75 2x9rY1 LYS 223 H 0.02 0.33 0.29 -0.55 8.42 8.51 2x9rY1 LYS 223 HA 0.01 0.10 0.36 -0.75 4.32 4.05 2x9rY1 LYS 223 HB2 0.01 -0.04 0.16 -0.04 1.87 1.96 2x9rY1 LYS 223 HB3 0.01 0.03 0.01 -0.04 1.79 1.80 2x9rY1 LYS 223 HG2 0.01 -0.00 0.02 -0.04 1.46 1.44 2x9rY1 LYS 223 HG3 0.01 0.15 0.12 -0.04 1.46 1.70 2x9rY1 LYS 223 HD2 0.01 -0.00 0.04 -0.04 1.69 1.69 2x9rY1 LYS 223 HD3 0.01 -0.00 0.01 -0.04 1.68 1.65 2x9rY1 LYS 223 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 2x9rY1 LYS 223 HE3 0.00 0.01 0.03 -0.04 2.99 2.99 2x9rY1 PRO 224 HA 0.03 0.03 0.41 -0.51 4.44 4.40 2x9rY1 PRO 224 HB2 0.01 0.03 0.16 -0.04 2.28 2.45 2x9rY1 PRO 224 HB3 0.01 0.01 0.17 -0.04 2.02 2.17 2x9rY1 PRO 224 HG2 0.01 0.02 0.08 -0.04 2.03 2.10 2x9rY1 PRO 224 HG3 0.01 0.07 0.08 -0.04 2.03 2.15 2x9rY1 PRO 224 HD2 0.01 0.09 0.15 -0.04 3.68 3.88 2x9rY1 PRO 224 HD3 0.01 0.17 0.21 -0.04 3.65 3.99 2x9rY1 GLU 225 H 0.02 1.13 -0.55 -0.55 8.60 8.65 2x9rY1 GLU 225 HA 0.00 0.17 0.68 -0.75 4.29 4.39 2x9rY1 GLU 225 HB2 0.01 -0.05 -0.08 -0.04 2.09 1.92 2x9rY1 GLU 225 HB3 0.01 0.04 0.02 -0.04 1.99 2.02 2x9rY1 GLU 225 HG2 -0.00 0.02 -0.03 -0.04 2.34 2.28 2x9rY1 GLU 225 HG3 -0.00 0.01 0.09 -0.04 2.34 2.39 2x9rY1 GLU 226 H 0.02 0.16 0.06 -0.55 8.60 8.29 2x9rY1 GLU 226 HA -0.03 0.25 0.84 -0.75 4.29 4.60 2x9rY1 GLU 226 HB2 -0.11 -0.06 0.23 -0.04 2.09 2.11 2x9rY1 GLU 226 HB3 -0.05 0.06 -0.05 -0.04 1.99 1.91 2x9rY1 GLU 226 HG2 0.02 0.05 0.03 -0.04 2.34 2.40 2x9rY1 GLU 226 HG3 -0.18 -0.07 0.00 -0.04 2.34 2.05 2x9rY1 LEU 227 H 0.01 0.14 -0.17 -0.55 8.37 7.81 2x9rY1 LEU 227 HA 0.04 0.50 1.00 -0.75 4.35 5.14 2x9rY1 LEU 227 HB2 0.03 0.01 0.04 -0.04 1.64 1.68 2x9rY1 LEU 227 HB3 0.04 -0.04 -0.06 -0.04 1.64 1.53 2x9rY1 LEU 227 HG 0.09 -0.07 -0.14 -0.04 1.64 1.48 2x9rY1 LEU 227 HD13 0.04 -0.00 -0.05 -0.04 0.93 0.87 2x9rY1 LEU 227 HD23 0.13 0.03 -0.18 -0.04 0.89 0.83 2x9rY1 ARG 228 H 0.02 0.33 0.30 -0.55 8.46 8.56 2x9rY1 ARG 228 HA 0.01 0.18 0.86 -0.75 4.34 4.64 2x9rY1 ARG 228 HB2 0.00 0.04 -0.04 -0.04 1.90 1.86 2x9rY1 ARG 228 HB3 0.01 -0.06 0.19 -0.04 1.80 1.90 2x9rY1 ARG 228 HG2 0.00 0.03 -0.18 -0.04 1.67 1.48 2x9rY1 ARG 228 HG3 0.00 0.03 -0.01 -0.04 1.67 1.65 2x9rY1 ARG 228 HD2 0.00 0.01 -0.05 -0.04 3.22 3.13 2x9rY1 ARG 228 HD3 0.00 0.00 -0.05 -0.04 3.22 3.14 2x9rY1 ILE 229 H 0.01 0.22 0.09 -0.55 8.25 8.01 2x9rY1 ILE 229 HA 0.01 0.36 1.04 -0.75 4.18 4.84 2x9rY1 ILE 229 HB 0.01 0.01 0.11 -0.04 1.89 1.98 2x9rY1 ILE 229 HG12 0.02 -0.05 -0.13 -0.04 1.49 1.29 2x9rY1 ILE 229 HG13 0.01 -0.01 -0.14 -0.04 1.21 1.03 2x9rY1 ILE 229 HG23 0.01 0.02 -0.09 -0.04 0.93 0.82 2x9rY1 ILE 229 HD13 0.01 0.00 -0.03 -0.04 0.88 0.82 2x9rY1 ASP 230 H 0.01 0.51 0.38 -0.55 8.40 8.75 2x9rY1 ASP 230 HA 0.00 0.18 0.80 -0.75 4.63 4.87 2x9rY1 ASP 230 HB2 0.00 -0.05 0.05 -0.04 2.71 2.68 2x9rY1 ASP 230 HB3 0.00 -0.07 0.09 -0.04 2.70 2.68 2x9rY1 VAL 231 H 0.00 0.13 0.01 -0.55 8.24 7.84 2x9rY1 VAL 231 HA 0.00 0.33 0.84 -0.75 4.13 4.55 2x9rY1 VAL 231 HB 0.00 0.16 0.13 -0.04 2.12 2.37 2x9rY1 VAL 231 HG13 0.00 -0.03 -0.23 -0.04 0.97 0.67 2x9rY1 VAL 231 HG23 0.00 -0.04 0.04 -0.04 0.95 0.92 2x9rY1 MET 232 H 0.00 0.03 -0.07 -0.55 8.47 7.89 2x9rY1 MET 232 HA 0.00 0.06 0.47 -0.75 4.52 4.30 2x9rY1 MET 232 HB2 0.00 0.03 0.09 -0.04 2.15 2.23 2x9rY1 MET 232 HB3 0.00 -0.05 0.03 -0.04 2.03 1.97 2x9rY1 MET 232 HG2 0.00 -0.00 -0.20 -0.04 2.63 2.39 2x9rY1 MET 232 HG3 0.00 0.12 -0.24 -0.04 2.56 2.40 2x9rY1 MET 232 HE3 0.00 -0.01 -0.19 -0.04 2.10 1.86 2x9rY1 ARG 233 H 0.00 0.07 0.13 -0.55 8.46 8.11 2x9rY1 ARG 233 HA 0.00 0.12 0.63 -0.75 4.34 4.34 2x9rY1 ARG 233 HB2 0.00 -0.12 0.14 -0.04 1.90 1.88 2x9rY1 ARG 233 HB3 0.00 0.15 0.00 -0.04 1.80 1.92 2x9rY1 ARG 233 HG2 0.00 0.10 -0.19 -0.04 1.67 1.53 2x9rY1 ARG 233 HG3 0.00 -0.04 -0.29 -0.04 1.67 1.29 2x9rY1 ARG 233 HD2 0.00 0.03 0.05 -0.04 3.22 3.26 2x9rY1 ARG 233 HD3 0.00 0.03 -0.07 -0.04 3.22 3.14 2x9rY1 ALA 234 H 0.00 0.22 0.28 -0.55 8.40 8.36 2x9rY1 ALA 234 HA 0.00 -0.10 0.36 -0.75 4.34 3.84 2x9rY1 ALA 234 HB3 0.00 0.02 0.17 -0.04 1.41 1.56 2x9rY1 SER 235 H 0.00 0.11 0.21 -0.55 8.46 8.24 2x9rY1 SER 235 HA 0.00 0.22 0.84 -0.75 4.49 4.79 2x9rY1 SER 235 HB2 0.00 0.07 -0.04 -0.04 3.95 3.94 2x9rY1 SER 235 HB3 0.00 -0.07 0.03 -0.04 3.93 3.85 2x9rY1 GLY 236 H 0.00 0.14 0.14 -0.55 8.43 8.16 2x9rY1 GLY 236 HA2 0.00 -0.02 0.32 -0.51 4.01 3.80 2x9rY1 GLY 236 HA3 0.00 0.15 0.73 -0.51 4.01 4.38 2x9rY1 PRO 237 HA 0.00 0.11 0.45 -0.51 4.44 4.49 2x9rY1 PRO 237 HB2 0.00 -0.17 0.26 -0.04 2.28 2.34 2x9rY1 PRO 237 HB3 0.00 0.03 0.13 -0.04 2.02 2.14 2x9rY1 PRO 237 HG2 0.00 0.03 0.03 -0.04 2.03 2.05 2x9rY1 PRO 237 HG3 0.00 0.04 0.10 -0.04 2.03 2.13 2x9rY1 PRO 237 HD2 0.00 0.25 0.23 -0.04 3.68 4.11 2x9rY1 PRO 237 HD3 0.00 0.07 0.19 -0.04 3.65 3.87 2x9rY1 GLY 238 H 0.00 0.15 0.16 -0.55 8.43 8.19 2x9rY1 GLY 238 HA2 0.00 0.03 0.31 -0.51 4.01 3.84 2x9rY1 GLY 238 HA3 0.00 0.13 0.86 -0.51 4.01 4.49 2x9rY1 GLY 239 H 0.00 -0.17 0.18 -0.55 8.43 7.90 2x9rY1 GLY 239 HA2 0.00 0.24 0.44 -0.51 4.01 4.18 2x9rY1 GLY 239 HA3 0.00 0.04 0.44 -0.51 4.01 3.98 2x9rY1 GLN 240 H 0.00 0.24 0.17 -0.55 8.47 8.33 2x9rY1 GLN 240 HA 0.00 0.18 0.54 -0.75 4.36 4.33 2x9rY1 GLN 240 HB2 0.00 -0.02 0.14 -0.04 2.15 2.24 2x9rY1 GLN 240 HB3 0.00 0.05 0.12 -0.04 2.02 2.15 2x9rY1 GLN 240 HG2 0.00 0.02 0.04 -0.04 2.40 2.43 2x9rY1 GLN 240 HG3 0.00 0.02 0.06 -0.04 2.39 2.42 2x9rY1 GLN 240 HE21 0.00 0.03 0.03 -0.04 6.97 6.99 2x9rY1 GLN 240 HE22 0.00 0.00 0.06 -0.04 7.69 7.71 2x9rY1 GLY 241 H 0.00 -0.11 -0.46 -0.55 8.43 7.31 2x9rY1 GLY 241 HA2 0.00 0.27 0.93 -0.51 4.01 4.70 2x9rY1 GLY 241 HA3 0.00 0.10 0.25 -0.51 4.01 3.85 2x9rY1 VAL 242 H 0.00 -0.12 0.04 -0.55 8.24 7.61 2x9rY1 VAL 242 HA 0.00 0.08 0.49 -0.75 4.13 3.95 2x9rY1 VAL 242 HB 0.00 -0.28 0.32 -0.04 2.12 2.12 2x9rY1 VAL 242 HG13 0.00 0.14 -0.03 -0.04 0.97 1.04 2x9rY1 VAL 242 HG23 0.00 0.17 -0.18 -0.04 0.95 0.90 2x9rY1 ASN 243 H 0.00 0.00 -0.39 -0.55 8.53 7.60 2x9rY1 ASN 243 HA 0.00 0.21 0.54 -0.75 4.76 4.76 2x9rY1 ASN 243 HB2 0.00 0.03 -0.12 -0.04 2.88 2.76 2x9rY1 ASN 243 HB3 0.00 0.02 0.04 -0.04 2.79 2.81 2x9rY1 ASN 243 HD21 0.00 0.10 0.08 -0.04 7.03 7.16 2x9rY1 ASN 243 HD22 0.00 -0.00 0.01 -0.04 7.74 7.71 2x9rY1 THR 244 H 0.00 -0.14 -0.39 -0.55 8.28 7.20 2x9rY1 THR 244 HA 0.00 0.23 0.82 -0.75 4.39 4.69 2x9rY1 THR 244 HB 0.00 0.07 0.11 -0.04 4.32 4.46 2x9rY1 THR 244 HG23 0.00 -0.08 0.11 -0.04 1.22 1.21 2x9rY1 THR 245 H 0.00 0.62 0.12 -0.55 8.28 8.48 2x9rY1 THR 245 HA 0.00 0.19 0.86 -0.75 4.39 4.69 2x9rY1 THR 245 HB 0.00 0.03 0.11 -0.04 4.32 4.41 2x9rY1 THR 245 HG23 0.00 -0.02 -0.20 -0.04 1.22 0.96 2x9rY1 ASP 246 H 0.00 0.14 0.08 -0.55 8.40 8.07 2x9rY1 ASP 246 HA 0.00 0.21 0.33 -0.75 4.63 4.41 2x9rY1 ASP 246 HB2 0.00 -0.14 0.17 -0.04 2.71 2.70 2x9rY1 ASP 246 HB3 0.00 0.19 0.14 -0.04 2.70 2.99 2x9rY1 SER 247 H 0.00 0.40 -0.41 -0.55 8.46 7.90 2x9rY1 SER 247 HA 0.00 -0.16 0.18 -0.75 4.49 3.76 2x9rY1 SER 247 HB2 0.00 -0.03 0.10 -0.04 3.95 3.98 2x9rY1 SER 247 HB3 0.00 -0.06 -0.24 -0.04 3.93 3.59 2x9rY1 ALA 248 H 0.00 0.05 -0.08 -0.55 8.40 7.82 2x9rY1 ALA 248 HA 0.00 0.14 0.43 -0.75 4.34 4.16 2x9rY1 ALA 248 HB3 0.00 0.00 -0.16 -0.04 1.41 1.21 2x9rY1 VAL 249 H 0.00 0.29 0.31 -0.55 8.24 8.29 2x9rY1 VAL 249 HA 0.00 0.28 0.97 -0.75 4.13 4.63 2x9rY1 VAL 249 HB 0.00 0.02 0.12 -0.04 2.12 2.22 2x9rY1 VAL 249 HG13 0.00 0.10 -0.01 -0.04 0.97 1.02 2x9rY1 VAL 249 HG23 0.00 -0.05 -0.26 -0.04 0.95 0.60 2x9rY1 ARG 250 H 0.01 0.42 0.18 -0.55 8.46 8.51 2x9rY1 ARG 250 HA 0.01 0.26 1.00 -0.75 4.34 4.85 2x9rY1 ARG 250 HB2 0.01 0.00 -0.14 -0.04 1.90 1.72 2x9rY1 ARG 250 HB3 0.01 -0.10 0.05 -0.04 1.80 1.71 2x9rY1 ARG 250 HG2 0.01 0.00 -0.29 -0.04 1.67 1.35 2x9rY1 ARG 250 HG3 0.01 0.12 -0.15 -0.04 1.67 1.61 2x9rY1 ARG 250 HD2 0.01 0.02 -0.12 -0.04 3.22 3.08 2x9rY1 ARG 250 HD3 0.01 -0.02 -0.12 -0.04 3.22 3.05 2x9rY1 VAL 251 H 0.01 0.44 0.27 -0.55 8.24 8.41 2x9rY1 VAL 251 HA 0.02 0.14 0.79 -0.75 4.13 4.32 2x9rY1 VAL 251 HB 0.01 -0.00 0.10 -0.04 2.12 2.19 2x9rY1 VAL 251 HG13 0.03 -0.01 -0.12 -0.04 0.97 0.83 2x9rY1 VAL 251 HG23 0.01 0.01 -0.06 -0.04 0.95 0.87 2x9rY1 VAL 252 H 0.03 0.22 0.24 -0.55 8.24 8.19 2x9rY1 VAL 252 HA 0.05 0.24 1.25 -0.75 4.13 4.92 2x9rY1 VAL 252 HB 0.02 -0.06 0.18 -0.04 2.12 2.21 2x9rY1 VAL 252 HG13 0.02 0.00 -0.25 -0.04 0.97 0.71 2x9rY1 VAL 252 HG23 0.02 0.03 -0.17 -0.04 0.95 0.79 2x9rY1 HIS 253 H 0.12 0.79 0.33 -0.55 8.41 9.11 2x9rY1 HIS 253 HA 0.00 0.19 0.86 -0.75 4.63 4.92 2x9rY1 HIS 253 HB2 0.00 0.03 0.08 -0.04 3.26 3.33 2x9rY1 HIS 253 HB3 0.00 -0.21 0.25 -0.04 3.20 3.20 2x9rY1 HIS 253 HD2 0.00 0.02 -0.07 -0.04 6.97 6.89 2x9rY1 HIS 253 HE1 0.01 0.04 -0.07 -0.04 7.75 7.69 2x9rY1 LEU 254 H -0.19 0.41 0.24 -0.55 8.37 8.29 2x9rY1 LEU 254 HA -0.04 0.14 0.71 -0.75 4.35 4.41 2x9rY1 LEU 254 HB2 -0.09 0.09 0.15 -0.04 1.64 1.74 2x9rY1 LEU 254 HB3 -0.05 0.01 -0.00 -0.04 1.64 1.55 2x9rY1 LEU 254 HG -0.03 -0.07 -0.22 -0.04 1.64 1.29 2x9rY1 LEU 254 HD13 -0.03 0.04 -0.09 -0.04 0.93 0.81 2x9rY1 LEU 254 HD23 -0.02 -0.00 -0.05 -0.04 0.89 0.78 2x9rY1 PRO 255 HA -0.06 0.16 0.51 -0.51 4.44 4.54 2x9rY1 PRO 255 HB2 -0.05 0.05 0.06 -0.04 2.28 2.30 2x9rY1 PRO 255 HB3 -0.08 0.03 0.10 -0.04 2.02 2.03 2x9rY1 PRO 255 HG2 -0.36 0.01 -0.05 -0.04 2.03 1.59 2x9rY1 PRO 255 HG3 -0.23 0.04 0.04 -0.04 2.03 1.84 2x9rY1 PRO 255 HD2 -0.61 -0.04 0.20 -0.04 3.68 3.18 2x9rY1 PRO 255 HD3 -0.22 0.17 0.18 -0.04 3.65 3.73 2x9rY1 THR 256 H -0.05 -0.09 -0.72 -0.55 8.28 6.88 2x9rY1 THR 256 HA 0.05 0.26 0.90 -0.75 4.39 4.84 2x9rY1 THR 256 HB 0.26 -0.18 0.05 -0.04 4.32 4.41 2x9rY1 THR 256 HG23 0.07 0.02 -0.10 -0.04 1.22 1.16 2x9rY1 GLY 257 H 0.06 0.29 0.12 -0.55 8.43 8.35 2x9rY1 GLY 257 HA2 0.02 0.05 0.34 -0.51 4.01 3.91 2x9rY1 GLY 257 HA3 0.02 0.19 0.86 -0.51 4.01 4.57 2x9rY1 ILE 258 H 0.10 -0.06 0.11 -0.55 8.25 7.85 2x9rY1 ILE 258 HA 0.03 0.15 0.63 -0.75 4.18 4.24 2x9rY1 ILE 258 HB 0.06 -0.08 0.09 -0.04 1.89 1.92 2x9rY1 ILE 258 HG12 0.02 0.07 -0.08 -0.04 1.49 1.46 2x9rY1 ILE 258 HG13 0.05 -0.04 -0.16 -0.04 1.21 1.03 2x9rY1 ILE 258 HG23 -0.00 -0.00 -0.15 -0.04 0.93 0.74 2x9rY1 ILE 258 HD13 -0.00 0.00 -0.09 -0.04 0.88 0.75 2x9rY1 THR 259 H 0.02 0.25 0.23 -0.55 8.28 8.23 2x9rY1 THR 259 HA 0.03 0.22 1.05 -0.75 4.39 4.93 2x9rY1 THR 259 HB 0.02 0.02 -0.04 -0.04 4.32 4.28 2x9rY1 THR 259 HG23 0.02 0.01 -0.23 -0.04 1.22 0.99 2x9rY1 VAL 260 H 0.01 0.58 0.33 -0.55 8.24 8.61 2x9rY1 VAL 260 HA 0.00 0.15 1.02 -0.75 4.13 4.54 2x9rY1 VAL 260 HB 0.00 0.03 0.18 -0.04 2.12 2.29 2x9rY1 VAL 260 HG13 -0.00 0.01 0.10 -0.04 0.97 1.04 2x9rY1 VAL 260 HG23 -0.01 -0.03 -0.17 -0.04 0.95 0.71 2x9rY1 THR 261 H 0.00 0.16 0.22 -0.55 8.28 8.12 2x9rY1 THR 261 HA 0.00 0.30 1.11 -0.75 4.39 5.05 2x9rY1 THR 261 HB 0.00 0.01 0.12 -0.04 4.32 4.41 2x9rY1 THR 261 HG23 0.00 0.01 -0.18 -0.04 1.22 1.02 2x9rY1 CYS 262 H 0.00 0.31 0.19 -0.55 8.50 8.45 2x9rY1 CYS 262 HA 0.00 -0.01 0.52 -0.75 4.58 4.34 2x9rY1 CYS 262 HB2 0.00 0.27 -0.10 -0.04 2.97 3.10 2x9rY1 CYS 262 HB3 0.00 0.05 -0.03 -0.04 2.97 2.95 2x9rY1 GLN 263 H 0.00 0.15 0.16 -0.55 8.47 8.24 2x9rY1 GLN 263 HA 0.00 0.16 0.68 -0.75 4.36 4.44 2x9rY1 GLN 263 HB2 0.00 0.04 0.01 -0.04 2.15 2.16 2x9rY1 GLN 263 HB3 0.00 0.06 0.17 -0.04 2.02 2.21 2x9rY1 GLN 263 HG2 0.00 0.02 -0.07 -0.04 2.40 2.31 2x9rY1 GLN 263 HG3 0.00 -0.09 -0.32 -0.04 2.39 1.94 2x9rY1 GLN 263 HE21 0.00 0.04 -0.06 -0.04 6.97 6.91 2x9rY1 GLN 263 HE22 0.00 -0.02 -0.11 -0.04 7.69 7.52 2x9rY1 THR 264 H 0.00 -0.01 0.09 -0.55 8.28 7.82 2x9rY1 THR 264 HA -0.00 0.08 0.38 -0.75 4.39 4.10 2x9rY1 THR 264 HB -0.00 0.05 0.03 -0.04 4.32 4.36 2x9rY1 THR 264 HG23 -0.00 -0.01 0.10 -0.04 1.22 1.27 2x9rY1 THR 265 H -0.00 -0.04 -0.34 -0.55 8.28 7.35 2x9rY1 THR 265 HA -0.00 0.26 0.76 -0.75 4.39 4.65 2x9rY1 THR 265 HB -0.00 0.03 0.08 -0.04 4.32 4.39 2x9rY1 THR 265 HG23 -0.00 0.02 -0.12 -0.04 1.22 1.08 2x9rY1 ARG 266 H -0.00 0.11 0.03 -0.55 8.46 8.05 2x9rY1 ARG 266 HA 0.00 0.23 0.70 -0.75 4.34 4.52 2x9rY1 ARG 266 HB2 0.00 -0.03 0.18 -0.04 1.90 2.01 2x9rY1 ARG 266 HB3 0.00 0.10 -0.03 -0.04 1.80 1.83 2x9rY1 ARG 266 HG2 -0.00 -0.02 -0.03 -0.04 1.67 1.58 2x9rY1 ARG 266 HG3 -0.00 -0.01 -0.03 -0.04 1.67 1.58 2x9rY1 ARG 266 HD2 -0.00 0.03 -0.02 -0.04 3.22 3.19 2x9rY1 ARG 266 HD3 -0.00 0.02 -0.01 -0.04 3.22 3.18 2x9rY1 SER 267 H 0.00 0.22 -0.13 -0.55 8.46 8.00 2x9rY1 SER 267 HA 0.00 0.19 0.71 -0.75 4.49 4.64 2x9rY1 SER 267 HB2 -0.00 -0.04 0.03 -0.04 3.95 3.90 2x9rY1 SER 267 HB3 -0.00 0.16 -0.13 -0.04 3.93 3.92 2x9rY1 GLN 268 H 0.00 0.21 0.11 -0.55 8.47 8.25 2x9rY1 GLN 268 HA 0.00 0.41 0.56 -0.75 4.36 4.57 2x9rY1 GLN 268 HB2 0.00 0.54 0.20 -0.04 2.15 2.85 2x9rY1 GLN 268 HB3 0.00 -0.12 0.16 -0.04 2.02 2.02 2x9rY1 GLN 268 HG2 0.00 -0.11 -0.36 -0.04 2.40 1.89 2x9rY1 GLN 268 HG3 0.00 -0.00 -0.08 -0.04 2.39 2.27 2x9rY1 GLN 268 HE21 0.00 0.03 -0.01 -0.04 6.97 6.95 2x9rY1 GLN 268 HE22 0.00 -0.08 -0.04 -0.04 7.69 7.53 2x9rY1 ILE 269 H 0.00 0.12 -0.05 -0.55 8.25 7.77 2x9rY1 ILE 269 HA 0.00 0.14 0.49 -0.75 4.18 4.05 2x9rY1 ILE 269 HB -0.00 -0.00 0.03 -0.04 1.89 1.88 2x9rY1 ILE 269 HG12 0.00 0.06 0.01 -0.04 1.49 1.53 2x9rY1 ILE 269 HG13 0.00 -0.07 0.04 -0.04 1.21 1.14 2x9rY1 ILE 269 HG23 -0.00 0.02 -0.02 -0.04 0.93 0.90 2x9rY1 ILE 269 HD13 0.00 0.02 0.01 -0.04 0.88 0.88 2x9rY1 LYS 270 H -0.00 0.13 -0.42 -0.55 8.42 7.58 2x9rY1 LYS 270 HA -0.00 0.19 0.65 -0.75 4.32 4.40 2x9rY1 LYS 270 HB2 -0.00 -0.01 0.00 -0.04 1.87 1.82 2x9rY1 LYS 270 HB3 -0.00 0.04 0.08 -0.04 1.79 1.86 2x9rY1 LYS 270 HG2 -0.00 -0.00 -0.13 -0.04 1.46 1.29 2x9rY1 LYS 270 HG3 -0.00 -0.01 -0.04 -0.04 1.46 1.37 2x9rY1 LYS 270 HD2 -0.00 0.03 0.01 -0.04 1.69 1.69 2x9rY1 LYS 270 HD3 -0.00 0.04 -0.03 -0.04 1.68 1.65 2x9rY1 LYS 270 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 2x9rY1 LYS 270 HE3 -0.00 -0.03 -0.00 -0.04 2.99 2.91 2x9rY1 ASN 271 H 0.00 0.23 -0.49 -0.55 8.53 7.72 2x9rY1 ASN 271 HA -0.00 0.13 0.84 -0.75 4.76 4.98 2x9rY1 ASN 271 HB2 0.00 0.21 0.17 -0.04 2.88 3.22 2x9rY1 ASN 271 HB3 0.00 0.05 -0.02 -0.04 2.79 2.78 2x9rY1 ASN 271 HD21 0.00 -0.23 -0.44 -0.04 7.03 6.32 2x9rY1 ASN 271 HD22 0.00 0.60 -0.40 -0.04 7.74 7.90 2x9rY1 LYS 272 H 0.00 0.47 0.13 -0.55 8.42 8.46 2x9rY1 LYS 272 HA 0.00 0.12 0.50 -0.75 4.32 4.18 2x9rY1 LYS 272 HB2 0.00 -0.00 0.03 -0.04 1.87 1.86 2x9rY1 LYS 272 HB3 0.00 0.11 0.10 -0.04 1.79 1.96 2x9rY1 LYS 272 HG2 0.00 0.05 0.23 -0.04 1.46 1.69 2x9rY1 LYS 272 HG3 0.00 -0.00 -0.08 -0.04 1.46 1.34 2x9rY1 LYS 272 HD2 0.00 -0.02 -0.01 -0.04 1.69 1.63 2x9rY1 LYS 272 HD3 0.00 0.01 -0.04 -0.04 1.68 1.61 2x9rY1 LYS 272 HE2 0.00 0.05 -0.05 -0.04 2.99 2.94 2x9rY1 LYS 272 HE3 0.00 -0.06 -0.26 -0.04 2.99 2.63 2x9rY1 GLU 273 H -0.00 0.18 -0.26 -0.55 8.60 7.97 2x9rY1 GLU 273 HA -0.00 0.16 0.62 -0.75 4.29 4.32 2x9rY1 GLU 273 HB2 -0.00 0.12 0.08 -0.04 2.09 2.24 2x9rY1 GLU 273 HB3 -0.00 0.03 -0.05 -0.04 1.99 1.93 2x9rY1 GLU 273 HG2 -0.00 -0.02 -0.04 -0.04 2.34 2.24 2x9rY1 GLU 273 HG3 -0.00 0.07 0.04 -0.04 2.34 2.41 2x9rY1 LEU 274 H -0.00 0.09 -0.47 -0.55 8.37 7.44 2x9rY1 LEU 274 HA -0.00 0.13 0.55 -0.75 4.35 4.27 2x9rY1 LEU 274 HB2 -0.00 0.37 0.18 -0.04 1.64 2.15 2x9rY1 LEU 274 HB3 -0.00 -0.00 -0.01 -0.04 1.64 1.58 2x9rY1 LEU 274 HG -0.00 -0.01 0.08 -0.04 1.64 1.67 2x9rY1 LEU 274 HD13 -0.00 0.02 0.01 -0.04 0.93 0.91 2x9rY1 LEU 274 HD23 -0.00 -0.00 0.02 -0.04 0.89 0.87 2x9rY1 ALA 275 H -0.00 0.12 -0.61 -0.55 8.40 7.36 2x9rY1 ALA 275 HA -0.00 0.16 0.60 -0.75 4.34 4.34 2x9rY1 ALA 275 HB3 0.00 0.01 -0.06 -0.04 1.41 1.32 2x9rY1 LEU 276 H -0.00 0.08 -0.57 -0.55 8.37 7.33 2x9rY1 LEU 276 HA -0.01 0.07 0.62 -0.75 4.35 4.28 2x9rY1 LEU 276 HB2 -0.00 0.07 0.19 -0.04 1.64 1.86 2x9rY1 LEU 276 HB3 -0.01 -0.03 -0.00 -0.04 1.64 1.56 2x9rY1 LEU 276 HG 0.00 0.36 0.14 -0.04 1.64 2.10 2x9rY1 LEU 276 HD13 0.00 -0.03 0.00 -0.04 0.93 0.87 2x9rY1 LEU 276 HD23 0.01 -0.02 -0.00 -0.04 0.89 0.83 2x9rY1 LYS 277 H -0.01 0.32 -0.29 -0.55 8.42 7.89 2x9rY1 LYS 277 HA -0.01 0.04 0.32 -0.75 4.32 3.91 2x9rY1 LYS 277 HB2 -0.01 0.13 0.18 -0.04 1.87 2.13 2x9rY1 LYS 277 HB3 -0.01 0.11 0.04 -0.04 1.79 1.90 2x9rY1 LYS 277 HG2 -0.01 -0.01 0.05 -0.04 1.46 1.45 2x9rY1 LYS 277 HG3 -0.01 -0.01 0.09 -0.04 1.46 1.50 2x9rY1 LYS 277 HD2 -0.01 0.00 0.05 -0.04 1.69 1.69 2x9rY1 LYS 277 HD3 -0.01 -0.03 0.10 -0.04 1.68 1.70 2x9rY1 LYS 277 HE2 -0.01 0.04 0.03 -0.04 2.99 3.01 2x9rY1 LYS 277 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 2x9rY1 ILE 278 H -0.01 0.01 -1.36 -0.55 8.25 6.34 2x9rY1 ILE 278 HA -0.00 0.20 0.89 -0.75 4.18 4.50 2x9rY1 ILE 278 HB -0.01 0.13 0.03 -0.04 1.89 2.00 2x9rY1 ILE 278 HG12 -0.00 0.00 -0.06 -0.04 1.49 1.39 2x9rY1 ILE 278 HG13 -0.00 0.10 -0.19 -0.04 1.21 1.07 2x9rY1 ILE 278 HG23 -0.00 -0.01 -0.12 -0.04 0.93 0.76 2x9rY1 ILE 278 HD13 -0.00 0.00 0.05 -0.04 0.88 0.89 2x9rY1 LEU 279 H -0.02 0.30 0.03 -0.55 8.37 8.14 2x9rY1 LEU 279 HA -0.04 0.01 0.32 -0.75 4.35 3.88 2x9rY1 LEU 279 HB2 -0.03 0.12 0.20 -0.04 1.64 1.89 2x9rY1 LEU 279 HB3 -0.06 0.06 0.01 -0.04 1.64 1.60 2x9rY1 LEU 279 HG -0.04 -0.02 -0.06 -0.04 1.64 1.48 2x9rY1 LEU 279 HD13 0.02 0.01 -0.15 -0.04 0.93 0.77 2x9rY1 LEU 279 HD23 -0.29 -0.02 -0.06 -0.04 0.89 0.48 2x9rY1 LYS 280 H -0.03 0.44 -0.37 -0.55 8.42 7.91 2x9rY1 LYS 280 HA -0.04 0.03 0.35 -0.75 4.32 3.90 2x9rY1 LYS 280 HB2 -0.02 0.03 -0.10 -0.04 1.87 1.74 2x9rY1 LYS 280 HB3 -0.04 0.00 -0.01 -0.04 1.79 1.70 2x9rY1 LYS 280 HG2 -0.03 -0.04 -0.02 -0.04 1.46 1.34 2x9rY1 LYS 280 HG3 -0.02 0.39 0.04 -0.04 1.46 1.83 2x9rY1 LYS 280 HD2 -0.02 0.01 -0.05 -0.04 1.69 1.58 2x9rY1 LYS 280 HD3 -0.03 -0.01 -0.05 -0.04 1.68 1.55 2x9rY1 LYS 280 HE2 -0.02 -0.01 -0.10 -0.04 2.99 2.82 2x9rY1 LYS 280 HE3 -0.01 -0.09 -0.60 -0.04 2.99 2.24 2x9rY1 ALA 281 H -0.00 0.14 -0.45 -0.55 8.40 7.55 2x9rY1 ALA 281 HA 0.06 0.04 0.34 -0.75 4.34 4.03 2x9rY1 ALA 281 HB3 0.01 0.05 0.17 -0.04 1.41 1.60 2x9rY1 ARG 282 H 0.00 0.37 0.07 -0.55 8.46 8.35 2x9rY1 ARG 282 HA -0.00 0.02 0.31 -0.75 4.34 3.91 2x9rY1 ARG 282 HB2 -0.01 0.03 0.07 -0.04 1.90 1.95 2x9rY1 ARG 282 HB3 -0.02 0.02 -0.02 -0.04 1.80 1.74 2x9rY1 ARG 282 HG2 -0.01 -0.01 -0.04 -0.04 1.67 1.56 2x9rY1 ARG 282 HG3 -0.01 0.00 0.04 -0.04 1.67 1.66 2x9rY1 ARG 282 HD2 -0.01 -0.03 -0.05 -0.04 3.22 3.09 2x9rY1 ARG 282 HD3 -0.00 0.02 -0.02 -0.04 3.22 3.18 2x9rY1 LEU 283 H -0.02 0.41 -0.59 -0.55 8.37 7.62 2x9rY1 LEU 283 HA -0.02 -0.02 0.42 -0.75 4.35 3.97 2x9rY1 LEU 283 HB2 -0.05 0.27 0.16 -0.04 1.64 1.97 2x9rY1 LEU 283 HB3 -0.03 -0.05 -0.04 -0.04 1.64 1.48 2x9rY1 LEU 283 HG -0.22 0.03 0.03 -0.04 1.64 1.44 2x9rY1 LEU 283 HD13 -0.54 -0.02 -0.07 -0.04 0.93 0.25 2x9rY1 LEU 283 HD23 -0.10 -0.03 -0.04 -0.04 0.89 0.68 2x9rY1 TYR 284 H 0.13 0.68 0.11 -0.55 8.29 8.66 2x9rY1 TYR 284 HA -0.02 -0.03 0.33 -0.75 4.56 4.08 2x9rY1 TYR 284 HB2 -0.02 0.05 0.16 -0.04 3.06 3.22 2x9rY1 TYR 284 HB3 -0.02 0.08 0.10 -0.04 2.98 3.10 2x9rY1 TYR 284 HD2 -0.01 -0.01 -0.03 -0.04 7.15 7.06 2x9rY1 TYR 284 HE2 -0.01 0.00 -0.04 -0.04 6.85 6.76 2x9rY1 GLU 285 H 0.01 0.33 -0.88 -0.55 8.60 7.52 2x9rY1 GLU 285 HA -0.18 0.11 0.72 -0.75 4.29 4.19 2x9rY1 GLU 285 HB2 -0.02 0.07 0.02 -0.04 2.09 2.13 2x9rY1 GLU 285 HB3 -0.04 -0.02 -0.05 -0.04 1.99 1.84 2x9rY1 GLU 285 HG2 -0.09 -0.00 0.01 -0.04 2.34 2.23 2x9rY1 GLU 285 HG3 -0.03 -0.00 -0.11 -0.04 2.34 2.16 2x9rY1 LEU 286 H -0.02 0.57 0.26 -0.55 8.37 8.63 2x9rY1 LEU 286 HA -0.03 0.07 0.78 -0.75 4.35 4.42 2x9rY1 LEU 286 HB2 -0.01 0.10 0.14 -0.04 1.64 1.82 2x9rY1 LEU 286 HB3 -0.00 0.00 0.06 -0.04 1.64 1.66 2x9rY1 LEU 286 HG -0.00 -0.00 0.10 -0.04 1.64 1.69 2x9rY1 LEU 286 HD13 -0.01 -0.01 0.05 -0.04 0.93 0.92 2x9rY1 LEU 286 HD23 0.00 -0.01 -0.02 -0.04 0.89 0.83 2x9rY1 GLU 287 H -0.03 0.56 -0.08 -0.55 8.60 8.51 2x9rY1 GLU 287 HA 0.01 0.12 0.68 -0.75 4.29 4.34 2x9rY1 GLU 287 HB2 0.06 0.05 -0.10 -0.04 2.09 2.06 2x9rY1 GLU 287 HB3 0.05 -0.03 0.04 -0.04 1.99 2.00 2x9rY1 GLU 287 HG2 0.04 -0.00 -0.05 -0.04 2.34 2.28 2x9rY1 GLU 287 HG3 0.02 0.03 -0.08 -0.04 2.34 2.27 2x9rY1 ARG 288 H -0.09 0.06 -0.48 -0.55 8.46 7.40 2x9rY1 ARG 288 HA -0.09 0.13 0.80 -0.75 4.34 4.44 2x9rY1 ARG 288 HB2 -0.40 0.14 0.10 -0.04 1.90 1.69 2x9rY1 ARG 288 HB3 -0.26 0.09 0.16 -0.04 1.80 1.75 2x9rY1 ARG 288 HG2 -0.13 -0.11 -0.04 -0.04 1.67 1.35 2x9rY1 ARG 288 HG3 -0.23 0.01 0.02 -0.04 1.67 1.43 2x9rY1 ARG 288 HD2 -0.15 -0.02 -0.06 -0.04 3.22 2.95 2x9rY1 ARG 288 HD3 -0.32 0.03 0.00 -0.04 3.22 2.88 2x9rY1 LYS 289 H -0.07 0.29 -0.08 -0.55 8.42 8.00 2x9rY1 LYS 289 HA -0.05 0.06 0.37 -0.75 4.32 3.95 2x9rY1 LYS 289 HB2 -0.04 0.15 0.22 -0.04 1.87 2.15 2x9rY1 LYS 289 HB3 -0.03 0.02 0.11 -0.04 1.79 1.85 2x9rY1 LYS 289 HG2 -0.03 -0.02 -0.11 -0.04 1.46 1.26 2x9rY1 LYS 289 HG3 -0.03 -0.01 0.09 -0.04 1.46 1.46 2x9rY1 LYS 289 HD2 -0.02 -0.00 0.02 -0.04 1.69 1.65 2x9rY1 LYS 289 HD3 -0.02 0.02 0.02 -0.04 1.68 1.66 2x9rY1 LYS 289 HE2 -0.02 -0.01 0.00 -0.04 2.99 2.93 2x9rY1 LYS 289 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.93 2x9rY1 LYS 290 H -0.04 0.07 -0.92 -0.55 8.42 6.98 2x9rY1 LYS 290 HA -0.02 0.10 0.47 -0.75 4.32 4.12 2x9rY1 LYS 290 HB2 -0.01 -0.00 -0.03 -0.04 1.87 1.79 2x9rY1 LYS 290 HB3 -0.01 0.09 -0.02 -0.04 1.79 1.81 2x9rY1 LYS 290 HG2 -0.02 0.02 -0.49 -0.04 1.46 0.93 2x9rY1 LYS 290 HG3 -0.02 -0.06 -0.04 -0.04 1.46 1.29 2x9rY1 LYS 290 HD2 0.00 0.06 0.06 -0.04 1.69 1.77 2x9rY1 LYS 290 HD3 -0.00 -0.06 -0.03 -0.04 1.68 1.55 2x9rY1 LYS 290 HE2 0.00 -0.01 0.03 -0.04 2.99 2.98 2x9rY1 LYS 290 HE3 0.01 -0.05 0.15 -0.04 2.99 3.05 2x9rY1 ARG 291 H -0.04 0.19 -0.14 -0.55 8.46 7.93 2x9rY1 ARG 291 HA -0.03 -0.01 0.30 -0.75 4.34 3.85 2x9rY1 ARG 291 HB2 -0.04 0.05 0.22 -0.04 1.90 2.08 2x9rY1 ARG 291 HB3 -0.04 0.02 -0.00 -0.04 1.80 1.74 2x9rY1 ARG 291 HG2 -0.01 0.03 0.06 -0.04 1.67 1.70 2x9rY1 ARG 291 HG3 -0.02 -0.01 0.07 -0.04 1.67 1.66 2x9rY1 ARG 291 HD2 -0.02 -0.08 -0.01 -0.04 3.22 3.06 2x9rY1 ARG 291 HD3 -0.01 0.14 0.10 -0.04 3.22 3.41 2x9rY1 GLU 292 H -0.04 0.16 -1.08 -0.55 8.60 7.10 2x9rY1 GLU 292 HA -0.03 0.12 0.64 -0.75 4.29 4.27 2x9rY1 GLU 292 HB2 -0.03 0.21 0.07 -0.04 2.09 2.29 2x9rY1 GLU 292 HB3 -0.03 -0.03 0.00 -0.04 1.99 1.89 2x9rY1 GLU 292 HG2 -0.04 -0.01 -0.07 -0.04 2.34 2.18 2x9rY1 GLU 292 HG3 -0.05 0.11 -0.13 -0.04 2.34 2.23 2x9rY1 GLU 293 H -0.03 0.35 0.08 -0.55 8.60 8.46 2x9rY1 GLU 293 HA -0.02 0.13 0.75 -0.75 4.29 4.40 2x9rY1 GLU 293 HB2 -0.02 0.01 0.10 -0.04 2.09 2.15 2x9rY1 GLU 293 HB3 -0.02 0.04 0.19 -0.04 1.99 2.16 2x9rY1 GLU 293 HG2 -0.01 -0.00 -0.14 -0.04 2.34 2.14 2x9rY1 GLU 293 HG3 -0.01 -0.00 0.07 -0.04 2.34 2.35 2x9rY1 GLU 294 H -0.02 0.88 0.12 -0.55 8.60 9.03 2x9rY1 GLU 294 HA -0.02 0.10 0.51 -0.75 4.29 4.13 2x9rY1 GLU 294 HB2 -0.02 0.00 -0.10 -0.04 2.09 1.92 2x9rY1 GLU 294 HB3 -0.02 -0.01 0.03 -0.04 1.99 1.94 2x9rY1 GLU 294 HG2 -0.02 0.00 -0.03 -0.04 2.34 2.25 2x9rY1 GLU 294 HG3 -0.02 0.08 -0.03 -0.04 2.34 2.33 2x9rY1 LEU 295 H -0.03 0.18 -0.53 -0.55 8.37 7.45 2x9rY1 LEU 295 HA -0.03 0.15 0.82 -0.75 4.35 4.53 2x9rY1 LEU 295 HB2 -0.03 0.04 0.02 -0.04 1.64 1.63 2x9rY1 LEU 295 HB3 -0.03 0.11 0.01 -0.04 1.64 1.69 2x9rY1 LEU 295 HG -0.03 0.02 0.03 -0.04 1.64 1.62 2x9rY1 LEU 295 HD13 -0.03 -0.02 0.05 -0.04 0.93 0.89 2x9rY1 LEU 295 HD23 -0.06 -0.01 0.04 -0.04 0.89 0.83 2x9rY1 LYS 296 H -0.02 0.17 -0.37 -0.55 8.42 7.65 2x9rY1 LYS 296 HA -0.01 0.15 0.71 -0.75 4.32 4.41 2x9rY1 LYS 296 HB2 -0.02 0.03 0.19 -0.04 1.87 2.04 2x9rY1 LYS 296 HB3 -0.01 -0.03 0.19 -0.04 1.79 1.90 2x9rY1 LYS 296 HG2 -0.01 -0.06 0.04 -0.04 1.46 1.38 2x9rY1 LYS 296 HG3 -0.02 0.23 0.12 -0.04 1.46 1.75 2x9rY1 LYS 296 HD2 -0.02 -0.00 0.01 -0.04 1.69 1.64 2x9rY1 LYS 296 HD3 -0.02 -0.07 0.04 -0.04 1.68 1.59 2x9rY1 LYS 296 HE2 -0.02 -0.03 0.01 -0.04 2.99 2.90 2x9rY1 LYS 296 HE3 -0.02 0.01 0.04 -0.04 2.99 2.97 2x9rY1 ALA 297 H -0.02 -0.02 -0.41 -0.55 8.40 7.41 2x9rY1 ALA 297 HA -0.01 0.31 0.83 -0.75 4.34 4.72 2x9rY1 ALA 297 HB3 -0.01 0.02 -0.01 -0.04 1.41 1.37 2x9rY1 LEU 298 H -0.02 -0.05 -0.19 -0.55 8.37 7.57 2x9rY1 LEU 298 HA -0.02 0.12 0.53 -0.75 4.35 4.22 2x9rY1 LEU 298 HB2 -0.04 0.09 0.15 -0.04 1.64 1.81 2x9rY1 LEU 298 HB3 -0.04 0.07 0.08 -0.04 1.64 1.71 2x9rY1 LEU 298 HG -0.05 0.03 0.02 -0.04 1.64 1.60 2x9rY1 LEU 298 HD13 -0.05 0.00 0.05 -0.04 0.93 0.89 2x9rY1 LEU 298 HD23 -0.09 0.00 0.03 -0.04 0.89 0.79 2x9rY1 ARG 299 H -0.01 0.04 -0.19 -0.55 8.46 7.75 2x9rY1 ARG 299 HA 0.02 0.13 0.47 -0.75 4.34 4.21 2x9rY1 ARG 299 HB2 0.00 0.02 -0.08 -0.04 1.90 1.80 2x9rY1 ARG 299 HB3 0.02 -0.03 -0.06 -0.04 1.80 1.69 2x9rY1 ARG 299 HG2 -0.00 -0.03 -0.01 -0.04 1.67 1.58 2x9rY1 ARG 299 HG3 -0.01 0.15 0.12 -0.04 1.67 1.89 2x9rY1 ARG 299 HD2 -0.00 -0.01 0.03 -0.04 3.22 3.20 2x9rY1 ARG 299 HD3 0.00 -0.06 -0.04 -0.04 3.22 3.08 2x9rY1 GLY 300 H 0.00 0.09 -0.37 -0.55 8.43 7.61 2x9rY1 GLY 300 HA2 0.00 0.08 0.14 -0.51 4.01 3.72 2x9rY1 GLY 300 HA3 0.02 0.14 0.82 -0.51 4.01 4.47 2x9rY1 GLU 301 H 0.02 -0.02 0.14 -0.55 8.60 8.20 2x9rY1 GLU 301 HA 0.01 0.20 0.65 -0.75 4.29 4.40 2x9rY1 GLU 301 HB2 0.02 -0.05 0.01 -0.04 2.09 2.03 2x9rY1 GLU 301 HB3 0.01 -0.04 0.01 -0.04 1.99 1.93 2x9rY1 GLU 301 HG2 0.00 0.12 0.03 -0.04 2.34 2.46 2x9rY1 GLU 301 HG3 0.00 -0.04 -0.58 -0.04 2.34 1.68 2x9rY1 VAL 302 H 0.03 0.02 0.16 -0.55 8.24 7.91 2x9rY1 VAL 302 HA 0.03 -0.03 0.44 -0.75 4.13 3.82 2x9rY1 VAL 302 HB 0.03 -0.05 0.05 -0.04 2.12 2.11 2x9rY1 VAL 302 HG13 0.06 0.01 0.10 -0.04 0.97 1.09 2x9rY1 VAL 302 HG23 0.04 0.02 0.13 -0.04 0.95 1.10 2x9rY1 ARG 303 H 0.02 0.07 0.31 -0.55 8.46 8.31 2x9rY1 ARG 303 HA 0.03 -0.05 0.27 -0.75 4.34 3.84 2x9rY1 ARG 303 HB2 0.02 0.08 -0.23 -0.04 1.90 1.73 2x9rY1 ARG 303 HB3 0.02 -0.06 0.11 -0.04 1.80 1.84 2x9rY1 ARG 303 HG2 0.03 -0.16 0.17 -0.04 1.67 1.67 2x9rY1 ARG 303 HG3 0.02 0.74 -0.28 -0.04 1.67 2.11 2x9rY1 ARG 303 HD2 0.02 -0.01 -0.20 -0.04 3.22 2.99 2x9rY1 ARG 303 HD3 0.02 -0.07 -0.07 -0.04 3.22 3.05 2x9rY1 PRO 304 HA 0.01 0.16 0.46 -0.51 4.44 4.56 2x9rY1 PRO 304 HB2 0.01 -0.09 0.08 -0.04 2.28 2.23 2x9rY1 PRO 304 HB3 0.01 0.06 0.10 -0.04 2.02 2.14 2x9rY1 PRO 304 HG2 0.02 0.08 0.08 -0.04 2.03 2.17 2x9rY1 PRO 304 HG3 0.01 0.13 0.09 -0.04 2.03 2.23 2x9rY1 PRO 304 HD2 0.02 0.18 0.26 -0.04 3.68 4.10 2x9rY1 PRO 304 HD3 0.02 -0.11 0.37 -0.04 3.65 3.89 2x9rY1 ILE 305 H 0.03 0.12 -0.21 -0.55 8.25 7.63 2x9rY1 ILE 305 HA 0.07 0.01 0.20 -0.75 4.18 3.70 2x9rY1 ILE 305 HB 0.02 0.33 -0.23 -0.04 1.89 1.97 2x9rY1 ILE 305 HG12 0.10 -0.12 -0.19 -0.04 1.49 1.24 2x9rY1 ILE 305 HG13 0.05 0.10 -0.21 -0.04 1.21 1.11 2x9rY1 ILE 305 HG23 0.04 -0.01 0.10 -0.04 0.93 1.02 2x9rY1 ILE 305 HD13 0.06 -0.05 -0.19 -0.04 0.88 0.66 2x9rY1 GLU 306 H -0.05 -0.04 -0.58 -0.55 8.60 7.39 2x9rY1 GLU 306 HA -0.13 0.09 0.42 -0.75 4.29 3.92 2x9rY1 GLU 306 HB2 -0.01 0.06 -0.05 -0.04 2.09 2.04 2x9rY1 GLU 306 HB3 -0.00 0.02 -0.18 -0.04 1.99 1.79 2x9rY1 GLU 306 HG2 0.01 0.05 -0.02 -0.04 2.34 2.35 2x9rY1 GLU 306 HG3 0.07 -0.14 0.08 -0.04 2.34 2.31 2x9rY1 TRP 307 H 0.31 0.15 0.08 -0.55 7.97 7.96 2x9rY1 TRP 307 HA -0.28 0.06 0.51 -0.75 4.62 4.16 2x9rY1 TRP 307 HB2 -0.06 0.02 0.20 -0.04 3.23 3.35 2x9rY1 TRP 307 HB3 0.10 0.03 0.03 -0.04 3.23 3.34 2x9rY1 TRP 307 HD1 -0.39 -0.08 0.10 -0.04 7.22 6.82 2x9rY1 TRP 307 HE1 -0.08 -0.04 0.02 -0.04 10.20 10.06 2x9rY1 TRP 307 HE3 0.19 0.02 -0.02 -0.04 7.59 7.74 2x9rY1 TRP 307 HZ2 0.13 -0.04 -0.01 -0.04 7.44 7.48 2x9rY1 TRP 307 HZ3 0.14 0.02 -0.01 -0.04 7.13 7.23 2x9rY1 TRP 307 HH2 0.16 -0.01 0.02 -0.04 7.19 7.32 2x9rY1 GLY 308 H 0.24 0.04 0.16 -0.55 8.43 8.32 2x9rY1 GLY 308 HA2 0.10 0.01 0.24 -0.51 4.01 3.86 2x9rY1 GLY 308 HA3 0.10 0.24 0.88 -0.51 4.01 4.71 2x9rY1 SER 309 H 0.12 0.06 -0.03 -0.55 8.46 8.07 2x9rY1 SER 309 HA 0.01 0.23 0.69 -0.75 4.49 4.67 2x9rY1 SER 309 HB2 0.03 0.00 0.11 -0.04 3.95 4.06 2x9rY1 SER 309 HB3 0.03 0.10 -0.18 -0.04 3.93 3.84 2x9rY1 GLN 310 H -0.05 0.20 0.02 -0.55 8.47 8.09 2x9rY1 GLN 310 HA 0.02 0.43 1.07 -0.75 4.36 5.13 2x9rY1 GLN 310 HB2 -0.07 -0.01 -0.09 -0.04 2.15 1.94 2x9rY1 GLN 310 HB3 0.04 0.05 0.04 -0.04 2.02 2.10 2x9rY1 GLN 310 HG2 -0.03 -0.03 -0.03 -0.04 2.40 2.26 2x9rY1 GLN 310 HG3 0.17 0.07 -0.24 -0.04 2.39 2.35 2x9rY1 GLN 310 HE21 -0.08 0.03 -0.06 -0.04 6.97 6.81 2x9rY1 GLN 310 HE22 -0.12 0.04 -0.07 -0.04 7.69 7.49 2x9rY1 ILE 311 H -0.12 0.45 0.24 -0.55 8.25 8.27 2x9rY1 ILE 311 HA -0.15 0.15 0.68 -0.75 4.18 4.11 2x9rY1 ILE 311 HB -0.15 0.04 0.02 -0.04 1.89 1.76 2x9rY1 ILE 311 HG12 -0.41 0.09 -0.14 -0.04 1.49 0.99 2x9rY1 ILE 311 HG13 -0.31 -0.06 -0.05 -0.04 1.21 0.75 2x9rY1 ILE 311 HG23 -0.09 0.05 0.03 -0.04 0.93 0.88 2x9rY1 ILE 311 HD13 -0.56 0.03 -0.39 -0.04 0.88 -0.08 2x9rY1 ARG 312 H -0.06 0.22 0.17 -0.55 8.46 8.23 2x9rY1 ARG 312 HA -0.01 0.05 0.97 -0.75 4.34 4.60 2x9rY1 ARG 312 HB2 -0.01 0.04 -0.11 -0.04 1.90 1.78 2x9rY1 ARG 312 HB3 0.28 0.02 -0.00 -0.04 1.80 2.06 2x9rY1 ARG 312 HG2 -0.63 0.01 -0.47 -0.04 1.67 0.53 2x9rY1 ARG 312 HG3 -0.25 -0.05 -0.24 -0.04 1.67 1.10 2x9rY1 ARG 312 HD2 -0.12 0.05 -0.14 -0.04 3.22 2.97 2x9rY1 ARG 312 HD3 -0.57 -0.04 -0.16 -0.04 3.22 2.41 2x9rY1 SER 313 H -0.00 0.73 0.23 -0.55 8.46 8.87 2x9rY1 SER 313 HA 0.19 0.13 1.08 -0.75 4.49 5.15 2x9rY1 SER 313 HB2 0.06 0.03 0.16 -0.04 3.95 4.16 2x9rY1 SER 313 HB3 0.01 0.02 -0.06 -0.04 3.93 3.87 2x9rY1 TYR 314 H 0.39 0.99 0.39 -0.55 8.29 9.51 2x9rY1 TYR 314 HA -0.11 0.09 0.94 -0.75 4.56 4.73 2x9rY1 TYR 314 HB2 -0.00 0.06 0.14 -0.04 3.06 3.22 2x9rY1 TYR 314 HB3 0.00 -0.03 -0.01 -0.04 2.98 2.89 2x9rY1 TYR 314 HD2 0.25 0.05 -0.09 -0.04 7.15 7.32 2x9rY1 TYR 314 HE2 0.20 0.02 -0.14 -0.04 6.85 6.89 2x9rY1 VAL 315 H -0.26 0.49 0.29 -0.55 8.24 8.21 2x9rY1 VAL 315 HA -0.26 0.07 1.02 -0.75 4.13 4.21 2x9rY1 VAL 315 HB -0.35 0.05 -0.09 -0.04 2.12 1.69 2x9rY1 VAL 315 HG13 -1.50 -0.02 -0.04 -0.04 0.97 -0.63 2x9rY1 VAL 315 HG23 -0.14 -0.03 -0.11 -0.04 0.95 0.63 2x9rY1 LEU 316 H -0.17 0.51 0.32 -0.55 8.37 8.48 2x9rY1 LEU 316 HA -0.07 0.10 0.81 -0.75 4.35 4.43 2x9rY1 LEU 316 HB2 -0.11 0.02 0.12 -0.04 1.64 1.64 2x9rY1 LEU 316 HB3 -0.06 0.06 0.11 -0.04 1.64 1.71 2x9rY1 LEU 316 HG -0.09 0.06 -0.05 -0.04 1.64 1.51 2x9rY1 LEU 316 HD13 -0.03 0.01 -0.09 -0.04 0.93 0.78 2x9rY1 LEU 316 HD23 -0.20 -0.04 -0.23 -0.04 0.89 0.38 2x9rY1 ASP 317 H -0.09 0.16 0.12 -0.55 8.40 8.04 2x9rY1 ASP 317 HA -0.02 0.11 0.38 -0.75 4.63 4.35 2x9rY1 ASP 317 HB2 -0.03 0.04 0.11 -0.04 2.71 2.79 2x9rY1 ASP 317 HB3 0.04 -0.26 0.18 -0.04 2.70 2.63 2x9rY1 LYS 318 H 0.13 0.07 0.00 -0.55 8.42 8.07 2x9rY1 LYS 318 HA 0.06 0.08 0.37 -0.75 4.32 4.08 2x9rY1 LYS 318 HB2 0.36 -0.09 -0.01 -0.04 1.87 2.10 2x9rY1 LYS 318 HB3 0.03 0.10 -0.08 -0.04 1.79 1.80 2x9rY1 LYS 318 HG2 -0.03 0.01 -0.01 -0.04 1.46 1.38 2x9rY1 LYS 318 HG3 0.01 0.04 0.03 -0.04 1.46 1.50 2x9rY1 LYS 318 HD2 0.07 -0.15 0.03 -0.04 1.69 1.60 2x9rY1 LYS 318 HD3 0.04 0.01 -0.02 -0.04 1.68 1.67 2x9rY1 LYS 318 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.90 2x9rY1 LYS 318 HE3 0.00 0.02 -0.02 -0.04 2.99 2.95 2x9rY1 ASN 319 H 0.10 -0.21 -1.00 -0.55 8.53 6.87 2x9rY1 ASN 319 HA 0.01 0.07 0.33 -0.75 4.76 4.41 2x9rY1 ASN 319 HB2 0.05 0.16 -0.36 -0.04 2.88 2.69 2x9rY1 ASN 319 HB3 0.09 0.10 0.37 -0.04 2.79 3.30 2x9rY1 ASN 319 HD21 0.03 -0.27 0.09 -0.04 7.03 6.84 2x9rY1 ASN 319 HD22 0.06 0.26 0.08 -0.04 7.74 8.10 2x9rY1 TYR 320 H -0.17 0.54 0.26 -0.55 8.29 8.36 2x9rY1 TYR 320 HA -0.06 -0.12 0.11 -0.75 4.56 3.73 2x9rY1 TYR 320 HB2 -0.27 0.40 0.17 -0.04 3.06 3.33 2x9rY1 TYR 320 HB3 -0.17 0.23 0.05 -0.04 2.98 3.05 2x9rY1 TYR 320 HD2 -0.12 0.04 -0.66 -0.04 7.15 6.37 2x9rY1 TYR 320 HE2 -0.08 -0.09 -0.17 -0.04 6.85 6.47 2x9rY1 VAL 321 H -0.04 0.54 -0.13 -0.55 8.24 8.06 2x9rY1 VAL 321 HA -0.30 0.19 1.02 -0.75 4.13 4.28 2x9rY1 VAL 321 HB -0.14 -0.12 -0.03 -0.04 2.12 1.79 2x9rY1 VAL 321 HG13 -0.41 0.00 -0.24 -0.04 0.97 0.28 2x9rY1 VAL 321 HG23 -0.16 -0.02 -0.23 -0.04 0.95 0.50 2x9rY1 LYS 322 H -0.23 0.89 0.24 -0.55 8.42 8.76 2x9rY1 LYS 322 HA -0.12 0.22 0.99 -0.75 4.32 4.66 2x9rY1 LYS 322 HB2 0.01 0.02 -0.11 -0.04 1.87 1.75 2x9rY1 LYS 322 HB3 -0.11 -0.07 0.17 -0.04 1.79 1.74 2x9rY1 LYS 322 HG2 -0.33 -0.03 -0.08 -0.04 1.46 0.98 2x9rY1 LYS 322 HG3 -0.65 -0.02 -0.29 -0.04 1.46 0.45 2x9rY1 LYS 322 HD2 -0.20 0.17 -0.13 -0.04 1.69 1.49 2x9rY1 LYS 322 HD3 -0.07 -0.02 -0.09 -0.04 1.68 1.46 2x9rY1 LYS 322 HE2 -0.14 0.05 -0.11 -0.04 2.99 2.75 2x9rY1 LYS 322 HE3 -0.13 -0.05 -0.09 -0.04 2.99 2.68 2x9rY1 ASP 323 H -0.14 0.29 0.08 -0.55 8.40 8.08 2x9rY1 ASP 323 HA -0.12 0.02 0.65 -0.75 4.63 4.43 2x9rY1 ASP 323 HB2 -0.10 -0.03 0.12 -0.04 2.71 2.65 2x9rY1 ASP 323 HB3 -0.10 -0.10 0.26 -0.04 2.70 2.71 2x9rY1 HIS 324 H -0.01 0.32 0.37 -0.55 8.41 8.54 2x9rY1 HIS 324 HA -0.10 0.08 0.47 -0.75 4.63 4.33 2x9rY1 HIS 324 HB2 -0.11 0.09 -0.02 -0.04 3.26 3.18 2x9rY1 HIS 324 HB3 -0.11 0.05 -0.03 -0.04 3.20 3.07 2x9rY1 HIS 324 HD2 -0.02 0.03 -0.01 -0.04 6.97 6.92 2x9rY1 HIS 324 HE1 -0.00 -0.06 -0.06 -0.04 7.75 7.58 2x9rY1 ARG 325 H -0.25 0.19 0.03 -0.55 8.46 7.88 2x9rY1 ARG 325 HA -0.77 0.13 0.44 -0.75 4.34 3.38 2x9rY1 ARG 325 HB2 -0.52 -0.09 0.08 -0.04 1.90 1.33 2x9rY1 ARG 325 HB3 -1.73 0.03 0.04 -0.04 1.80 0.11 2x9rY1 ARG 325 HG2 -0.80 0.02 0.11 -0.04 1.67 0.95 2x9rY1 ARG 325 HG3 -0.39 0.06 0.18 -0.04 1.67 1.48 2x9rY1 ARG 325 HD2 -0.52 -0.01 0.05 -0.04 3.22 2.70 2x9rY1 ARG 325 HD3 -0.80 0.02 0.07 -0.04 3.22 2.47 2x9rY1 THR 326 H -0.22 -0.03 -0.26 -0.55 8.28 7.22 2x9rY1 THR 326 HA -0.06 0.27 0.85 -0.75 4.39 4.69 2x9rY1 THR 326 HB -0.03 0.04 0.01 -0.04 4.32 4.30 2x9rY1 THR 326 HG23 -0.07 -0.29 0.15 -0.04 1.22 0.97 2x9rY1 GLY 327 H -0.10 0.32 0.10 -0.55 8.43 8.21 2x9rY1 GLY 327 HA2 -0.06 0.05 0.28 -0.51 4.01 3.77 2x9rY1 GLY 327 HA3 -0.02 0.20 0.84 -0.51 4.01 4.52 2x9rY1 LEU 328 H -0.05 -0.08 0.06 -0.55 8.37 7.75 2x9rY1 LEU 328 HA -0.02 0.12 0.54 -0.75 4.35 4.24 2x9rY1 LEU 328 HB2 -0.03 -0.06 0.13 -0.04 1.64 1.64 2x9rY1 LEU 328 HB3 -0.02 -0.06 0.02 -0.04 1.64 1.53 2x9rY1 LEU 328 HG 0.01 0.01 -0.01 -0.04 1.64 1.61 2x9rY1 LEU 328 HD13 0.02 0.03 -0.19 -0.04 0.93 0.74 2x9rY1 LEU 328 HD23 0.03 -0.00 -0.01 -0.04 0.89 0.86 2x9rY1 MET 329 H -0.03 0.14 0.06 -0.55 8.47 8.09 2x9rY1 MET 329 HA -0.08 0.15 1.01 -0.75 4.52 4.85 2x9rY1 MET 329 HB2 -0.09 -0.03 0.17 -0.04 2.15 2.16 2x9rY1 MET 329 HB3 -0.10 0.03 0.08 -0.04 2.03 2.00 2x9rY1 MET 329 HG2 -0.11 -0.00 -0.20 -0.04 2.63 2.28 2x9rY1 MET 329 HG3 -0.08 0.02 -0.72 -0.04 2.56 1.74 2x9rY1 MET 329 HE3 -0.03 0.02 0.01 -0.04 2.10 2.06 2x9rY1 ARG 330 H -0.06 0.04 0.08 -0.55 8.46 7.97 2x9rY1 ARG 330 HA 0.06 0.05 0.40 -0.75 4.34 4.09 2x9rY1 ARG 330 HB2 -0.05 0.04 0.12 -0.04 1.90 1.97 2x9rY1 ARG 330 HB3 -0.01 -0.12 0.01 -0.04 1.80 1.63 2x9rY1 ARG 330 HG2 0.02 -0.01 0.11 -0.04 1.67 1.75 2x9rY1 ARG 330 HG3 -0.01 0.02 0.04 -0.04 1.67 1.67 2x9rY1 ARG 330 HD2 -0.04 -0.00 -0.02 -0.04 3.22 3.12 2x9rY1 ARG 330 HD3 -0.02 0.03 0.02 -0.04 3.22 3.21 2x9rY1 HIS 331 H 0.17 0.08 0.21 -0.55 8.41 8.33 2x9rY1 HIS 331 HA 0.11 0.25 1.11 -0.75 4.63 5.35 2x9rY1 HIS 331 HB2 0.00 -0.07 0.10 -0.04 3.26 3.25 2x9rY1 HIS 331 HB3 0.02 0.11 0.22 -0.04 3.20 3.51 2x9rY1 HIS 331 HD2 -0.04 0.06 0.06 -0.04 6.97 7.01 2x9rY1 HIS 331 HE1 -0.04 -0.02 -0.00 -0.04 7.75 7.65 2x9rY1 ASP 332 H 0.06 -0.01 -0.02 -0.55 8.40 7.89 2x9rY1 ASP 332 HA 0.05 0.33 0.91 -0.75 4.63 5.17 2x9rY1 ASP 332 HB2 0.02 -0.06 0.06 -0.04 2.71 2.68 2x9rY1 ASP 332 HB3 0.03 0.09 0.01 -0.04 2.70 2.80 2x9rY1 PRO 333 HA 0.00 0.10 0.45 -0.51 4.44 4.49 2x9rY1 PRO 333 HB2 -0.01 0.02 -0.10 -0.04 2.28 2.14 2x9rY1 PRO 333 HB3 -0.09 0.18 -0.10 -0.04 2.02 1.97 2x9rY1 PRO 333 HG2 0.00 -0.20 0.17 -0.04 2.03 1.95 2x9rY1 PRO 333 HG3 -0.02 0.10 0.19 -0.04 2.03 2.25 2x9rY1 PRO 333 HD2 0.04 0.31 0.07 -0.04 3.68 4.06 2x9rY1 PRO 333 HD3 0.04 0.13 -0.68 -0.04 3.65 3.10 2x9rY1 GLU 334 H 0.01 0.25 0.03 -0.55 8.60 8.35 2x9rY1 GLU 334 HA 0.03 0.08 0.28 -0.75 4.29 3.92 2x9rY1 GLU 334 HB2 0.01 0.02 -0.05 -0.04 2.09 2.03 2x9rY1 GLU 334 HB3 0.01 0.06 0.04 -0.04 1.99 2.06 2x9rY1 GLU 334 HG2 -0.00 -0.00 0.07 -0.04 2.34 2.36 2x9rY1 GLU 334 HG3 0.01 -0.03 0.13 -0.04 2.34 2.41 2x9rY1 ASN 335 H 0.02 -0.02 -0.72 -0.55 8.53 7.26 2x9rY1 ASN 335 HA 0.02 0.13 0.37 -0.75 4.76 4.53 2x9rY1 ASN 335 HB2 0.02 -0.02 -0.02 -0.04 2.88 2.82 2x9rY1 ASN 335 HB3 0.02 0.06 -0.04 -0.04 2.79 2.79 2x9rY1 ASN 335 HD21 0.00 0.00 -0.03 -0.04 7.03 6.96 2x9rY1 ASN 335 HD22 0.01 -0.03 -0.03 -0.04 7.74 7.65 2x9rY1 VAL 336 H 0.03 0.31 -0.22 -0.55 8.24 7.81 2x9rY1 VAL 336 HA 0.03 0.10 0.49 -0.75 4.13 3.99 2x9rY1 VAL 336 HB 0.09 0.09 0.14 -0.04 2.12 2.41 2x9rY1 VAL 336 HG13 0.08 0.03 -0.15 -0.04 0.97 0.90 2x9rY1 VAL 336 HG23 -0.01 0.08 0.10 -0.04 0.95 1.08 2x9rY1 LEU 337 H 0.06 0.37 -0.24 -0.55 8.37 8.02 2x9rY1 LEU 337 HA -0.03 0.02 0.25 -0.75 4.35 3.84 2x9rY1 LEU 337 HB2 0.04 0.14 -0.03 -0.04 1.64 1.74 2x9rY1 LEU 337 HB3 0.02 -0.01 0.07 -0.04 1.64 1.68 2x9rY1 LEU 337 HG 0.12 0.11 -0.10 -0.04 1.64 1.73 2x9rY1 LEU 337 HD13 0.07 -0.02 -0.11 -0.04 0.93 0.82 2x9rY1 LEU 337 HD23 0.14 -0.02 -0.15 -0.04 0.89 0.82 2x9rY1 ASP 338 H 0.02 0.19 -1.32 -0.55 8.40 6.74 2x9rY1 ASP 338 HA 0.02 0.18 0.79 -0.75 4.63 4.86 2x9rY1 ASP 338 HB2 0.02 0.01 -0.05 -0.04 2.71 2.65 2x9rY1 ASP 338 HB3 0.03 0.18 0.06 -0.04 2.70 2.92 2x9rY1 GLY 339 H 0.02 0.57 0.14 -0.55 8.43 8.60 2x9rY1 GLY 339 HA2 0.15 0.27 0.43 -0.51 4.01 4.35 2x9rY1 GLY 339 HA3 0.16 0.11 0.80 -0.51 4.01 4.58 2x9rY1 ASP 340 H 0.07 0.17 -0.14 -0.55 8.40 7.94 2x9rY1 ASP 340 HA 0.13 -0.02 0.43 -0.75 4.63 4.42 2x9rY1 ASP 340 HB2 0.04 0.07 0.06 -0.04 2.71 2.85 2x9rY1 ASP 340 HB3 0.04 0.06 0.12 -0.04 2.70 2.87 2x9rY1 LEU 341 H 0.25 0.17 0.41 -0.55 8.37 8.65 2x9rY1 LEU 341 HA 0.02 0.08 0.85 -0.75 4.35 4.55 2x9rY1 LEU 341 HB2 -0.62 0.12 0.02 -0.04 1.64 1.12 2x9rY1 LEU 341 HB3 -0.21 -0.06 0.09 -0.04 1.64 1.42 2x9rY1 LEU 341 HG -0.07 0.05 -0.66 -0.04 1.64 0.91 2x9rY1 LEU 341 HD13 -0.32 0.01 -0.11 -0.04 0.93 0.46 2x9rY1 LEU 341 HD23 -0.02 0.04 -0.08 -0.04 0.89 0.79 2x9rY1 MET 342 H 0.21 0.09 0.17 -0.55 8.47 8.39 2x9rY1 MET 342 HA 0.45 0.18 0.40 -0.75 4.52 4.80 2x9rY1 MET 342 HB2 0.02 -0.10 0.14 -0.04 2.15 2.17 2x9rY1 MET 342 HB3 0.24 0.07 0.03 -0.04 2.03 2.33 2x9rY1 MET 342 HG2 0.29 -0.03 0.14 -0.04 2.63 2.99 2x9rY1 MET 342 HG3 0.15 0.02 0.07 -0.04 2.56 2.76 2x9rY1 MET 342 HE3 0.28 -0.00 0.01 -0.04 2.10 2.35 2x9rY1 ASP 343 H -0.06 0.08 -0.21 -0.55 8.40 7.67 2x9rY1 ASP 343 HA -0.15 0.13 0.43 -0.75 4.63 4.29 2x9rY1 ASP 343 HB2 -0.08 0.01 -0.01 -0.04 2.71 2.58 2x9rY1 ASP 343 HB3 -0.14 0.04 0.00 -0.04 2.70 2.56 2x9rY1 LEU 344 H 0.05 0.22 -0.13 -0.55 8.37 7.96 2x9rY1 LEU 344 HA 0.05 0.07 0.60 -0.75 4.35 4.32 2x9rY1 LEU 344 HB2 0.03 0.06 -0.02 -0.04 1.64 1.67 2x9rY1 LEU 344 HB3 -0.01 -0.05 0.07 -0.04 1.64 1.60 2x9rY1 LEU 344 HG 0.02 0.16 0.09 -0.04 1.64 1.87 2x9rY1 LEU 344 HD13 0.02 0.02 -0.05 -0.04 0.93 0.88 2x9rY1 LEU 344 HD23 -0.01 -0.01 0.04 -0.04 0.89 0.87 2x9rY1 ILE 345 H 0.17 0.45 -0.18 -0.55 8.25 8.14 2x9rY1 ILE 345 HA 0.13 0.08 0.61 -0.75 4.18 4.24 2x9rY1 ILE 345 HB 0.27 0.12 0.11 -0.04 1.89 2.34 2x9rY1 ILE 345 HG12 0.05 -0.06 -0.01 -0.04 1.49 1.43 2x9rY1 ILE 345 HG13 0.03 -0.04 0.04 -0.04 1.21 1.20 2x9rY1 ILE 345 HG23 0.16 0.02 0.06 -0.04 0.93 1.13 2x9rY1 ILE 345 HD13 -0.07 0.11 0.00 -0.04 0.88 0.88 2x9rY1 TRP 346 H 0.43 0.13 -0.13 -0.55 7.97 7.85 2x9rY1 TRP 346 HA 0.01 0.10 0.41 -0.75 4.62 4.39 2x9rY1 TRP 346 HB2 0.06 -0.06 0.28 -0.04 3.23 3.46 2x9rY1 TRP 346 HB3 0.01 -0.02 -0.05 -0.04 3.23 3.13 2x9rY1 TRP 346 HD1 0.20 0.43 0.02 -0.04 7.22 7.83 2x9rY1 TRP 346 HE1 0.32 -0.02 -0.04 -0.04 10.20 10.42 2x9rY1 TRP 346 HE3 0.00 0.01 -0.05 -0.04 7.59 7.51 2x9rY1 TRP 346 HZ2 0.29 0.00 -0.02 -0.04 7.44 7.67 2x9rY1 TRP 346 HZ3 0.05 -0.02 0.00 -0.04 7.13 7.12 2x9rY1 TRP 346 HH2 0.15 0.02 0.00 -0.04 7.19 7.32 2x9rY1 ALA 347 H 0.23 0.24 -0.35 -0.55 8.40 7.97 2x9rY1 ALA 347 HA 0.15 0.14 0.55 -0.75 4.34 4.42 2x9rY1 ALA 347 HB3 0.10 -0.00 0.07 -0.04 1.41 1.54 2x9rY1 GLY 348 H 0.14 0.12 -0.44 -0.55 8.43 7.71 2x9rY1 GLY 348 HA2 0.16 -0.02 0.49 -0.51 4.01 4.14 2x9rY1 GLY 348 HA3 0.12 0.09 0.38 -0.51 4.01 4.09 2x9rY1 LEU 349 H 0.12 0.56 -0.34 -0.55 8.37 8.16 2x9rY1 LEU 349 HA 0.19 0.05 0.62 -0.75 4.35 4.45 2x9rY1 LEU 349 HB2 -0.02 0.03 0.08 -0.04 1.64 1.69 2x9rY1 LEU 349 HB3 0.03 0.17 0.27 -0.04 1.64 2.07 2x9rY1 LEU 349 HG 0.12 0.08 0.10 -0.04 1.64 1.90 2x9rY1 LEU 349 HD13 0.01 -0.04 -0.01 -0.04 0.93 0.84 2x9rY1 LEU 349 HD23 0.16 0.04 0.13 -0.04 0.89 1.17 2x9rY1 GLU 350 H 0.16 0.08 -0.93 -0.55 8.60 7.36 2x9rY1 GLU 350 HA 0.06 0.25 0.77 -0.75 4.29 4.62 2x9rY1 GLU 350 HB2 0.13 0.06 0.15 -0.04 2.09 2.39 2x9rY1 GLU 350 HB3 0.09 -0.02 -0.03 -0.04 1.99 1.98 2x9rY1 GLU 350 HG2 -0.01 0.07 -0.09 -0.04 2.34 2.27 2x9rY1 GLU 350 HG3 0.03 0.20 -0.16 -0.04 2.34 2.37 2x9rY1 TRP 351 H 0.30 0.44 0.16 -0.55 7.97 8.32 2x9rY1 TRP 351 HA 0.02 0.06 0.37 -0.75 4.62 4.32 2x9rY1 TRP 351 HB2 0.03 0.00 0.10 -0.04 3.23 3.32 2x9rY1 TRP 351 HB3 0.03 -0.06 0.13 -0.04 3.23 3.29 2x9rY1 TRP 351 HD1 0.02 -0.03 0.11 -0.04 7.22 7.28 2x9rY1 TRP 351 HE1 0.02 -0.04 0.08 -0.04 10.20 10.22 2x9rY1 TRP 351 HE3 0.01 0.01 -0.07 -0.04 7.59 7.50 2x9rY1 TRP 351 HZ2 0.02 -0.03 0.03 -0.04 7.44 7.43 2x9rY1 TRP 351 HZ3 -0.00 0.03 0.04 -0.04 7.13 7.16 2x9rY1 TRP 351 HH2 0.01 -0.04 0.03 -0.04 7.19 7.15 2x9rY1 LYS 352 H 0.33 0.20 -0.21 -0.55 8.42 8.19 2x9rY1 LYS 352 HA -0.18 0.05 0.47 -0.75 4.32 3.90 2x9rY1 LYS 352 HB2 0.31 0.00 0.18 -0.04 1.87 2.32 2x9rY1 LYS 352 HB3 0.14 0.06 0.20 -0.04 1.79 2.14 2x9rY1 LYS 352 HG2 -0.07 -0.02 -0.17 -0.04 1.46 1.16 2x9rY1 LYS 352 HG3 0.01 -0.04 0.02 -0.04 1.46 1.41 2x9rY1 LYS 352 HD2 0.09 0.04 0.05 -0.04 1.69 1.83 2x9rY1 LYS 352 HD3 0.03 0.01 -0.04 -0.04 1.68 1.64 2x9rY1 LYS 352 HE2 -0.08 -0.04 -0.04 -0.04 2.99 2.79 2x9rY1 LYS 352 HE3 -0.08 0.17 -0.21 -0.04 2.99 2.83 2x9rY1 ALA 353 H 0.08 0.16 -0.25 -0.55 8.40 7.84 2x9rY1 ALA 353 HA -0.03 0.01 0.51 -0.75 4.34 4.08 2x9rY1 ALA 353 HB3 0.18 0.05 0.08 -0.04 1.41 1.68 2x9rY1 GLY 354 H -0.09 0.24 -1.07 -0.55 8.43 6.96 2x9rY1 GLY 354 HA2 -0.02 0.12 0.77 -0.51 4.01 4.37 2x9rY1 GLY 354 HA3 -0.04 0.07 0.24 -0.51 4.01 3.77 2x9rY1 ARG 355 H -0.15 0.17 0.02 -0.55 8.46 7.94 2x9rY1 ARG 355 HA -0.10 0.15 0.81 -0.75 4.34 4.45 2x9rY1 ARG 355 HB2 -0.15 -0.07 0.07 -0.04 1.90 1.71 2x9rY1 ARG 355 HB3 -0.26 0.03 0.09 -0.04 1.80 1.61 2x9rY1 ARG 355 HG2 -0.17 -0.04 0.19 -0.04 1.67 1.61 2x9rY1 ARG 355 HG3 -0.15 -0.08 -0.07 -0.04 1.67 1.33 2x9rY1 ARG 355 HD2 -0.50 0.18 0.19 -0.04 3.22 3.04 2x9rY1 ARG 355 HD3 -0.28 -0.04 0.10 -0.04 3.22 2.96 2x9rY1 ARG 356 H -0.08 0.02 -0.09 -0.55 8.46 7.76 2x9rY1 ARG 356 HA -0.05 0.07 0.20 -0.75 4.34 3.80 2x9rY1 ARG 356 HB2 -0.02 0.09 0.01 -0.04 1.90 1.94 2x9rY1 ARG 356 HB3 -0.03 -0.00 0.05 -0.04 1.80 1.78 2x9rY1 ARG 356 HG2 -0.06 -0.01 0.02 -0.04 1.67 1.57 2x9rY1 ARG 356 HG3 -0.09 -0.04 0.07 -0.04 1.67 1.57 2x9rY1 ARG 356 HD2 -0.06 0.01 0.03 -0.04 3.22 3.16 2x9rY1 ARG 356 HD3 -0.06 -0.01 0.01 -0.04 3.22 3.12