============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 18 0.900 36.948 81.563 3.680 -99.200 -91.000 PHE 19 1.000 33.930 88.709 6.479 -99.200 -91.000 TRP 23 1.040 45.005 75.991 12.893 -99.200 -91.000 TRP6 23 1.020 47.307 76.027 12.402 -99.200 -91.000 HIS 24 0.900 40.707 79.968 7.294 -99.200 -91.000 TYR 27 0.840 45.705 74.597 -2.768 -99.200 -91.000 TRP 47 1.040 47.757 90.641 10.442 -99.200 -91.000 TRP6 47 1.020 49.763 91.706 9.830 -99.200 -91.000 PHE 50 1.000 56.642 83.941 11.375 -99.200 -91.000 PHE 60 1.000 57.551 76.886 20.435 -99.200 -91.000 TYR 61 0.840 67.460 73.792 24.353 -99.200 -91.000 TRP 64 1.040 69.056 73.150 10.424 -99.200 -91.000 TRP6 64 1.020 69.508 75.442 10.639 -99.200 -91.000 TYR 67 0.840 62.863 76.084 16.300 -99.200 -91.000 PHE 71 1.000 58.863 73.389 17.159 -99.200 -91.000 PHE 78 1.000 51.192 77.625 14.935 -99.200 -91.000 TRP 79 1.040 59.487 77.783 13.518 -99.200 -91.000 TRP6 79 1.020 59.888 80.045 14.028 -99.200 -91.000 HIS 86 0.900 62.929 80.705 1.096 -99.200 -91.000 PHE 103 1.000 52.003 84.777 32.189 -99.200 -91.000 TYR 107 0.840 45.529 91.996 24.653 -99.200 -91.000 PHE 109 1.000 51.258 97.856 17.959 -99.200 -91.000 TYR 112 0.840 60.203 95.044 13.233 -99.200 -91.000 PHE 115 1.000 59.819 87.554 8.899 -99.200 -91.000 TYR 124 0.840 65.832 77.423 7.019 -99.200 -91.000 PHE 131 1.000 59.417 99.720 15.709 -99.200 -91.000 PHE 142 1.000 71.447 93.005 18.927 -99.200 -91.000 HIS 143 0.900 68.138 89.302 17.400 -99.200 -91.000 PHE 148 1.000 65.692 79.720 13.373 -99.200 -91.000 PHE 166 1.000 71.524 84.482 26.297 -99.200 -91.000 TRP 170 1.040 65.379 85.521 17.641 -99.200 -91.000 TRP6 170 1.020 63.044 85.250 17.554 -99.200 -91.000 TRP 171 1.040 66.210 84.560 11.768 -99.200 -91.000 TRP6 171 1.020 63.967 84.630 12.448 -99.200 -91.000 TYR 172 0.840 69.529 82.771 19.747 -99.200 -91.000 HIS 176 0.900 67.895 87.335 23.646 -99.200 -91.000 TYR 184 0.840 54.143 80.055 28.389 -99.200 -91.000 HIS 189 0.900 62.909 85.119 32.716 -99.200 -91.000 PHE 192 1.000 71.099 88.362 30.757 -99.200 -91.000 TRP 198 1.040 59.992 93.219 21.635 -99.200 -91.000 TRP6 198 1.020 60.077 92.134 19.529 -99.200 -91.000 TYR 204 0.840 68.267 91.281 27.553 -99.200 -91.000 TYR 206 0.840 56.417 89.684 32.467 -99.200 -91.000 TYR 208 0.840 56.194 90.078 26.248 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j0hE1 ASN 71 HA -0.04 -0.04 0.21 -0.75 4.76 4.14 2j0hE1 ASN 71 HB2 -0.04 -0.01 -0.08 -0.04 2.88 2.70 2j0hE1 ASN 71 HB3 -0.03 -0.01 0.04 -0.04 2.79 2.75 2j0hE1 ASN 71 HD21 -0.01 -0.01 0.01 -0.04 7.03 6.99 2j0hE1 ASN 71 HD22 -0.01 0.00 0.00 -0.04 7.74 7.69 2j0hE1 PRO 72 HA -0.16 0.00 0.15 -0.51 4.44 3.92 2j0hE1 PRO 72 HB2 -0.22 0.07 -0.08 -0.04 2.28 2.01 2j0hE1 PRO 72 HB3 -0.01 0.01 0.07 -0.04 2.02 2.04 2j0hE1 PRO 72 HG2 -0.01 0.01 0.06 -0.04 2.03 2.05 2j0hE1 PRO 72 HG3 0.04 0.02 0.06 -0.04 2.03 2.11 2j0hE1 PRO 72 HD2 -0.02 0.46 0.13 -0.04 3.68 4.20 2j0hE1 PRO 72 HD3 -0.02 0.05 0.16 -0.04 3.65 3.81 2j0hE1 CYS 73 H -0.20 0.16 -0.07 -0.55 8.50 7.84 2j0hE1 CYS 73 HA -0.80 0.06 0.27 -0.75 4.58 3.35 2j0hE1 CYS 73 HB2 -0.05 0.04 0.11 -0.04 2.97 3.03 2j0hE1 CYS 73 HB3 -0.09 -0.04 0.10 -0.04 2.97 2.89 2j0hE1 LEU 74 H -0.14 0.22 -0.09 -0.55 8.37 7.81 2j0hE1 LEU 74 HA -0.09 0.10 0.31 -0.75 4.35 3.91 2j0hE1 LEU 74 HB2 -0.07 0.09 0.11 -0.04 1.64 1.72 2j0hE1 LEU 74 HB3 -0.06 -0.01 -0.03 -0.04 1.64 1.50 2j0hE1 LEU 74 HG -0.05 -0.05 -0.00 -0.04 1.64 1.49 2j0hE1 LEU 74 HD13 -0.03 -0.01 0.00 -0.04 0.93 0.85 2j0hE1 LEU 74 HD23 -0.04 0.02 -0.03 -0.04 0.89 0.80 2j0hE1 THR 75 H -0.13 0.12 -0.20 -0.55 8.28 7.52 2j0hE1 THR 75 HA -0.06 0.08 0.64 -0.75 4.39 4.30 2j0hE1 THR 75 HB -0.04 -0.04 0.05 -0.04 4.32 4.25 2j0hE1 THR 75 HG23 -0.06 -0.00 -0.11 -0.04 1.22 1.00 2j0hE1 GLY 76 H -0.25 0.41 -0.27 -0.55 8.43 7.78 2j0hE1 GLY 76 HA2 -0.03 -0.06 0.22 -0.51 4.01 3.63 2j0hE1 GLY 76 HA3 -0.22 0.05 0.28 -0.51 4.01 3.61 2j0hE1 PRO 77 HA -0.01 0.10 0.68 -0.51 4.44 4.71 2j0hE1 PRO 77 HB2 -0.02 -0.03 -0.03 -0.04 2.28 2.17 2j0hE1 PRO 77 HB3 -0.05 -0.04 0.08 -0.04 2.02 1.97 2j0hE1 PRO 77 HG2 0.01 0.19 0.13 -0.04 2.03 2.32 2j0hE1 PRO 77 HG3 -0.01 0.04 0.06 -0.04 2.03 2.08 2j0hE1 PRO 77 HD2 0.28 0.11 0.21 -0.04 3.68 4.23 2j0hE1 PRO 77 HD3 0.09 0.09 0.21 -0.04 3.65 4.00 2j0hE1 ARG 78 H -0.01 -0.06 0.26 -0.55 8.46 8.09 2j0hE1 ARG 78 HA 0.05 0.14 1.05 -0.75 4.34 4.82 2j0hE1 ARG 78 HB2 -0.01 -0.07 -0.02 -0.04 1.90 1.75 2j0hE1 ARG 78 HB3 0.01 0.15 0.10 -0.04 1.80 2.02 2j0hE1 ARG 78 HG2 -0.01 -0.10 -0.09 -0.04 1.67 1.43 2j0hE1 ARG 78 HG3 -0.01 -0.02 -0.02 -0.04 1.67 1.58 2j0hE1 ARG 78 HD2 0.05 0.06 -0.41 -0.04 3.22 2.88 2j0hE1 ARG 78 HD3 -0.02 0.11 -0.13 -0.04 3.22 3.13 2j0hE1 THR 79 H -0.04 -0.01 0.26 -0.55 8.28 7.94 2j0hE1 THR 79 HA -0.04 0.31 0.55 -0.75 4.39 4.46 2j0hE1 THR 79 HB -0.07 -0.06 0.24 -0.04 4.32 4.39 2j0hE1 THR 79 HG23 -0.04 0.05 -0.06 -0.04 1.22 1.14 2j0hE1 CYS 80 H -0.06 0.24 0.07 -0.55 8.50 8.21 2j0hE1 CYS 80 HA -0.15 0.11 0.45 -0.75 4.58 4.23 2j0hE1 CYS 80 HB2 -0.06 0.10 -0.35 -0.04 2.97 2.63 2j0hE1 CYS 80 HB3 -0.09 -0.04 -0.31 -0.04 2.97 2.49 2j0hE1 LYS 81 H -0.12 0.11 -0.09 -0.55 8.42 7.77 2j0hE1 LYS 81 HA -0.16 0.11 0.49 -0.75 4.32 4.01 2j0hE1 LYS 81 HB2 -0.19 0.14 0.21 -0.04 1.87 1.98 2j0hE1 LYS 81 HB3 -0.12 -0.08 0.10 -0.04 1.79 1.65 2j0hE1 LYS 81 HG2 -0.15 0.04 0.03 -0.04 1.46 1.33 2j0hE1 LYS 81 HG3 -0.11 -0.02 -0.11 -0.04 1.46 1.18 2j0hE1 LYS 81 HD2 -0.13 -0.06 0.04 -0.04 1.69 1.50 2j0hE1 LYS 81 HD3 -0.20 0.07 0.07 -0.04 1.68 1.57 2j0hE1 LYS 81 HE2 -0.14 0.09 -0.03 -0.04 2.99 2.87 2j0hE1 LYS 81 HE3 -0.16 0.01 -0.01 -0.04 2.99 2.79 2j0hE1 ASP 82 H -0.09 0.03 -0.23 -0.55 8.40 7.56 2j0hE1 ASP 82 HA -0.08 0.10 0.41 -0.75 4.63 4.32 2j0hE1 ASP 82 HB2 -0.08 0.11 0.24 -0.04 2.71 2.94 2j0hE1 ASP 82 HB3 -0.06 0.12 0.04 -0.04 2.70 2.76 2j0hE1 LEU 83 H -0.15 0.29 -0.18 -0.55 8.37 7.78 2j0hE1 LEU 83 HA -0.15 0.06 0.24 -0.75 4.35 3.74 2j0hE1 LEU 83 HB2 -0.32 0.08 0.11 -0.04 1.64 1.47 2j0hE1 LEU 83 HB3 -0.55 0.02 -0.05 -0.04 1.64 1.01 2j0hE1 LEU 83 HG -0.22 -0.05 0.01 -0.04 1.64 1.34 2j0hE1 LEU 83 HD13 -0.35 0.00 -0.17 -0.04 0.93 0.37 2j0hE1 LEU 83 HD23 -0.62 0.02 -0.01 -0.04 0.89 0.24 2j0hE1 LEU 84 H -0.17 0.43 -0.26 -0.55 8.37 7.83 2j0hE1 LEU 84 HA -0.26 0.17 0.40 -0.75 4.35 3.91 2j0hE1 LEU 84 HB2 -0.14 -0.08 0.05 -0.04 1.64 1.44 2j0hE1 LEU 84 HB3 -0.14 0.11 0.12 -0.04 1.64 1.69 2j0hE1 LEU 84 HG -0.10 -0.01 -0.25 -0.04 1.64 1.24 2j0hE1 LEU 84 HD13 -0.09 -0.02 -0.02 -0.04 0.93 0.76 2j0hE1 LEU 84 HD23 -0.07 -0.03 -0.19 -0.04 0.89 0.56 2j0hE1 ASP 85 H -0.12 0.50 -0.20 -0.55 8.40 8.04 2j0hE1 ASP 85 HA -0.08 -0.01 0.39 -0.75 4.63 4.18 2j0hE1 ASP 85 HB2 -0.07 0.17 0.24 -0.04 2.71 3.01 2j0hE1 ASP 85 HB3 -0.05 -0.08 0.08 -0.04 2.70 2.60 2j0hE1 ARG 86 H -0.08 0.31 -0.48 -0.55 8.46 7.66 2j0hE1 ARG 86 HA -0.03 0.09 0.64 -0.75 4.34 4.28 2j0hE1 ARG 86 HB2 0.06 0.01 0.07 -0.04 1.90 2.00 2j0hE1 ARG 86 HB3 0.06 -0.05 0.16 -0.04 1.80 1.93 2j0hE1 ARG 86 HG2 -0.00 -0.01 -0.02 -0.04 1.67 1.59 2j0hE1 ARG 86 HG3 -0.03 -0.01 -0.15 -0.04 1.67 1.45 2j0hE1 ARG 86 HD2 -0.05 -0.10 -0.41 -0.04 3.22 2.62 2j0hE1 ARG 86 HD3 -0.01 -0.03 -0.11 -0.04 3.22 3.03 2j0hE1 GLY 87 H -0.27 0.49 -0.59 -0.55 8.43 7.51 2j0hE1 GLY 87 HA2 -0.88 0.02 0.23 -0.51 4.01 2.87 2j0hE1 GLY 87 HA3 -0.19 -0.00 0.16 -0.51 4.01 3.47 2j0hE1 HIS 88 H -0.10 0.56 -0.22 -0.55 8.41 8.11 2j0hE1 HIS 88 HA -0.08 0.07 0.88 -0.75 4.63 4.75 2j0hE1 HIS 88 HB2 -0.28 -0.03 -0.07 -0.04 3.26 2.84 2j0hE1 HIS 88 HB3 -0.05 -0.02 -0.05 -0.04 3.20 3.04 2j0hE1 HIS 88 HD2 0.18 -0.03 -0.02 -0.04 6.97 7.04 2j0hE1 HIS 88 HE1 -0.03 0.01 -0.01 -0.04 7.75 7.68 2j0hE1 PHE 89 H 0.14 0.20 0.02 -0.55 8.34 8.15 2j0hE1 PHE 89 HA 0.03 0.21 0.50 -0.75 4.62 4.60 2j0hE1 PHE 89 HB2 0.01 -0.03 0.00 -0.04 3.15 3.10 2j0hE1 PHE 89 HB3 0.01 -0.01 0.08 -0.04 3.06 3.11 2j0hE1 PHE 89 HD2 -0.01 0.02 0.00 -0.04 7.28 7.25 2j0hE1 PHE 89 HE2 -0.02 0.02 0.01 -0.04 7.38 7.35 2j0hE1 PHE 89 HZ -0.02 0.00 0.00 -0.04 7.32 7.26 2j0hE1 LEU 90 H 0.17 0.07 -0.15 -0.55 8.37 7.92 2j0hE1 LEU 90 HA 0.11 0.08 0.72 -0.75 4.35 4.51 2j0hE1 LEU 90 HB2 0.13 -0.05 0.08 -0.04 1.64 1.76 2j0hE1 LEU 90 HB3 0.10 0.15 -0.08 -0.04 1.64 1.77 2j0hE1 LEU 90 HG 0.07 0.01 0.02 -0.04 1.64 1.70 2j0hE1 LEU 90 HD13 0.09 0.00 -0.09 -0.04 0.93 0.89 2j0hE1 LEU 90 HD23 0.07 -0.00 -0.01 -0.04 0.89 0.91 2j0hE1 SER 91 H 0.08 0.06 0.14 -0.55 8.46 8.19 2j0hE1 SER 91 HA 0.08 0.12 0.54 -0.75 4.49 4.47 2j0hE1 SER 91 HB2 0.03 -0.00 0.13 -0.04 3.95 4.07 2j0hE1 SER 91 HB3 -0.00 0.09 0.09 -0.04 3.93 4.07 2j0hE1 GLY 92 H -0.01 0.42 0.37 -0.55 8.43 8.67 2j0hE1 GLY 92 HA2 -0.09 0.00 0.31 -0.51 4.01 3.72 2j0hE1 GLY 92 HA3 -0.05 0.19 0.60 -0.51 4.01 4.23 2j0hE1 TRP 93 H 0.15 0.15 0.13 -0.55 7.97 7.84 2j0hE1 TRP 93 HA -0.06 0.31 0.68 -0.75 4.62 4.80 2j0hE1 TRP 93 HB2 -0.12 -0.04 0.13 -0.04 3.23 3.16 2j0hE1 TRP 93 HB3 -0.11 0.04 -0.12 -0.04 3.23 2.99 2j0hE1 TRP 93 HD1 -0.06 -0.03 0.02 -0.04 7.22 7.12 2j0hE1 TRP 93 HE1 -0.03 0.37 0.09 -0.04 10.20 10.59 2j0hE1 TRP 93 HE3 -0.15 0.11 -0.61 -0.04 7.59 6.90 2j0hE1 TRP 93 HZ2 -0.44 0.10 -0.08 -0.04 7.44 6.98 2j0hE1 TRP 93 HZ3 -0.35 0.15 0.05 -0.04 7.13 6.94 2j0hE1 TRP 93 HH2 -1.76 0.00 -0.16 -0.04 7.19 5.23 2j0hE1 HIS 94 H 0.14 0.55 0.41 -0.55 8.41 8.96 2j0hE1 HIS 94 HA 0.03 0.16 0.90 -0.75 4.63 4.97 2j0hE1 HIS 94 HB2 -0.08 -0.06 -0.08 -0.04 3.26 2.99 2j0hE1 HIS 94 HB3 -0.11 0.05 0.01 -0.04 3.20 3.11 2j0hE1 HIS 94 HD2 -0.15 0.00 -0.05 -0.04 6.97 6.72 2j0hE1 HIS 94 HE1 -0.02 0.10 -0.13 -0.04 7.75 7.66 2j0hE1 THR 95 H 0.06 0.16 0.13 -0.55 8.28 8.08 2j0hE1 THR 95 HA -0.02 0.26 1.20 -0.75 4.39 5.08 2j0hE1 THR 95 HB -0.09 -0.04 -0.10 -0.04 4.32 4.05 2j0hE1 THR 95 HG23 -0.00 -0.01 0.01 -0.04 1.22 1.18 2j0hE1 ILE 96 H -0.08 0.52 0.33 -0.55 8.25 8.47 2j0hE1 ILE 96 HA 0.05 0.21 0.68 -0.75 4.18 4.37 2j0hE1 ILE 96 HB 0.01 0.02 -0.32 -0.04 1.89 1.56 2j0hE1 ILE 96 HG12 -0.02 -0.01 -0.00 -0.04 1.49 1.42 2j0hE1 ILE 96 HG13 -0.04 -0.01 -0.19 -0.04 1.21 0.93 2j0hE1 ILE 96 HG23 -0.03 -0.05 -0.47 -0.04 0.93 0.34 2j0hE1 ILE 96 HD13 -0.01 0.01 -0.17 -0.04 0.88 0.67 2j0hE1 TYR 97 H 0.20 0.76 0.44 -0.55 8.29 9.15 2j0hE1 TYR 97 HA -0.01 0.21 1.30 -0.75 4.56 5.31 2j0hE1 TYR 97 HB2 -0.01 0.13 0.08 -0.04 3.06 3.22 2j0hE1 TYR 97 HB3 -0.01 -0.04 -0.11 -0.04 2.98 2.78 2j0hE1 TYR 97 HD2 -0.01 0.13 -0.18 -0.04 7.15 7.06 2j0hE1 TYR 97 HE2 -0.00 -0.02 -0.10 -0.04 6.85 6.69 2j0hE1 LEU 98 H 0.02 0.80 0.17 -0.55 8.37 8.81 2j0hE1 LEU 98 HA 0.01 0.14 0.30 -0.75 4.35 4.04 2j0hE1 LEU 98 HB2 0.02 -0.17 0.05 -0.04 1.64 1.50 2j0hE1 LEU 98 HB3 0.00 -0.03 0.08 -0.04 1.64 1.66 2j0hE1 LEU 98 HG -0.02 0.20 -0.06 -0.04 1.64 1.72 2j0hE1 LEU 98 HD13 -0.00 -0.03 -0.06 -0.04 0.93 0.80 2j0hE1 LEU 98 HD23 -0.01 0.00 -0.10 -0.04 0.89 0.73 2j0hE1 PRO 99 HA 0.01 0.14 0.51 -0.51 4.44 4.59 2j0hE1 PRO 99 HB2 -0.01 -0.04 0.07 -0.04 2.28 2.25 2j0hE1 PRO 99 HB3 -0.01 0.03 0.13 -0.04 2.02 2.13 2j0hE1 PRO 99 HG2 -0.04 0.14 0.13 -0.04 2.03 2.22 2j0hE1 PRO 99 HG3 -0.02 0.07 0.14 -0.04 2.03 2.18 2j0hE1 PRO 99 HD2 -0.02 0.03 0.17 -0.04 3.68 3.82 2j0hE1 PRO 99 HD3 -0.01 0.19 0.19 -0.04 3.65 3.97 2j0hE1 ASP 100 H 0.02 0.05 -0.34 -0.55 8.40 7.58 2j0hE1 ASP 100 HA 0.02 0.20 0.75 -0.75 4.63 4.85 2j0hE1 ASP 100 HB2 0.02 0.02 0.15 -0.04 2.71 2.87 2j0hE1 ASP 100 HB3 0.02 -0.00 0.04 -0.04 2.70 2.72 2j0hE1 CYS 101 H 0.05 0.82 -0.48 -0.55 8.50 8.34 2j0hE1 CYS 101 HA 0.13 0.14 0.16 -0.75 4.58 4.25 2j0hE1 CYS 101 HB2 0.04 0.16 -0.21 -0.04 2.97 2.92 2j0hE1 CYS 101 HB3 0.08 -0.09 0.13 -0.04 2.97 3.05 2j0hE1 ARG 102 H 0.04 -0.04 -0.67 -0.55 8.46 7.24 2j0hE1 ARG 102 HA 0.03 0.14 0.72 -0.75 4.34 4.48 2j0hE1 ARG 102 HB2 0.02 -0.13 0.03 -0.04 1.90 1.77 2j0hE1 ARG 102 HB3 -0.01 0.08 -0.11 -0.04 1.80 1.72 2j0hE1 ARG 102 HG2 0.00 0.03 0.03 -0.04 1.67 1.69 2j0hE1 ARG 102 HG3 0.02 0.04 0.05 -0.04 1.67 1.74 2j0hE1 ARG 102 HD2 0.02 -0.02 0.00 -0.04 3.22 3.18 2j0hE1 ARG 102 HD3 0.02 0.02 -0.01 -0.04 3.22 3.21 2j0hE1 PRO 103 HA -0.54 0.22 0.73 -0.51 4.44 4.34 2j0hE1 PRO 103 HB2 -0.23 -0.03 -0.07 -0.04 2.28 1.91 2j0hE1 PRO 103 HB3 -0.42 0.04 0.07 -0.04 2.02 1.67 2j0hE1 PRO 103 HG2 -0.07 -0.02 0.12 -0.04 2.03 2.02 2j0hE1 PRO 103 HG3 -0.03 0.02 0.08 -0.04 2.03 2.06 2j0hE1 PRO 103 HD2 0.00 0.01 0.31 -0.04 3.68 3.96 2j0hE1 PRO 103 HD3 0.06 0.25 0.22 -0.04 3.65 4.14 2j0hE1 LEU 104 H -0.22 0.60 0.30 -0.55 8.37 8.51 2j0hE1 LEU 104 HA -0.07 0.11 0.63 -0.75 4.35 4.27 2j0hE1 LEU 104 HB2 -0.05 0.02 -0.19 -0.04 1.64 1.38 2j0hE1 LEU 104 HB3 -0.04 -0.04 -0.02 -0.04 1.64 1.50 2j0hE1 LEU 104 HG -0.02 -0.01 -0.02 -0.04 1.64 1.54 2j0hE1 LEU 104 HD13 -0.00 -0.01 -0.15 -0.04 0.93 0.73 2j0hE1 LEU 104 HD23 -0.01 0.03 0.02 -0.04 0.89 0.88 2j0hE1 THR 105 H -0.02 0.17 0.05 -0.55 8.28 7.92 2j0hE1 THR 105 HA 0.04 0.19 0.80 -0.75 4.39 4.67 2j0hE1 THR 105 HB -0.04 -0.03 0.10 -0.04 4.32 4.31 2j0hE1 THR 105 HG23 0.11 -0.00 -0.24 -0.04 1.22 1.05 2j0hE1 VAL 106 H 0.10 0.64 0.33 -0.55 8.24 8.76 2j0hE1 VAL 106 HA 0.18 0.22 0.86 -0.75 4.13 4.63 2j0hE1 VAL 106 HB -0.03 -0.03 0.04 -0.04 2.12 2.06 2j0hE1 VAL 106 HG13 0.02 0.04 -0.26 -0.04 0.97 0.72 2j0hE1 VAL 106 HG23 -0.02 0.01 -0.20 -0.04 0.95 0.70 2j0hE1 LEU 107 H -0.50 0.23 0.18 -0.55 8.37 7.73 2j0hE1 LEU 107 HA -1.02 0.16 0.64 -0.75 4.35 3.38 2j0hE1 LEU 107 HB2 -2.32 0.05 0.00 -0.04 1.64 -0.67 2j0hE1 LEU 107 HB3 -0.53 0.01 0.19 -0.04 1.64 1.27 2j0hE1 LEU 107 HG -0.33 -0.06 -0.46 -0.04 1.64 0.74 2j0hE1 LEU 107 HD13 -0.80 0.02 -0.15 -0.04 0.93 -0.03 2j0hE1 LEU 107 HD23 -0.07 0.00 -0.11 -0.04 0.89 0.67 2j0hE1 CYS 108 H -0.13 0.82 0.33 -0.55 8.50 8.98 2j0hE1 CYS 108 HA -0.05 0.30 1.01 -0.75 4.58 5.09 2j0hE1 CYS 108 HB2 0.06 0.08 0.13 -0.04 2.97 3.20 2j0hE1 CYS 108 HB3 -0.06 -0.02 -0.10 -0.04 2.97 2.74 2j0hE1 ASP 109 H 0.06 0.77 0.25 -0.55 8.40 8.93 2j0hE1 ASP 109 HA 0.02 0.11 0.90 -0.75 4.63 4.89 2j0hE1 ASP 109 HB2 -0.02 0.08 0.02 -0.04 2.71 2.75 2j0hE1 ASP 109 HB3 0.13 0.04 0.17 -0.04 2.70 3.00 2j0hE1 MET 110 H 0.05 0.23 0.03 -0.55 8.47 8.23 2j0hE1 MET 110 HA 0.04 -0.13 0.51 -0.75 4.52 4.19 2j0hE1 MET 110 HB2 0.08 -0.02 -0.30 -0.04 2.15 1.87 2j0hE1 MET 110 HB3 0.06 0.14 0.01 -0.04 2.03 2.20 2j0hE1 MET 110 HG2 0.05 -0.03 -0.40 -0.04 2.63 2.21 2j0hE1 MET 110 HG3 0.01 0.25 -0.46 -0.04 2.56 2.33 2j0hE1 MET 110 HE3 -0.24 0.03 -0.13 -0.04 2.10 1.72 2j0hE1 ASP 111 H 0.10 -0.10 -0.49 -0.55 8.40 7.35 2j0hE1 ASP 111 HA 0.06 0.30 0.77 -0.75 4.63 5.01 2j0hE1 ASP 111 HB2 0.05 0.04 -0.12 -0.04 2.71 2.63 2j0hE1 ASP 111 HB3 0.04 -0.11 0.06 -0.04 2.70 2.64 2j0hE1 THR 112 H 0.07 -0.02 -0.02 -0.55 8.28 7.77 2j0hE1 THR 112 HA -0.00 0.05 0.28 -0.75 4.39 3.96 2j0hE1 THR 112 HB -0.17 0.03 -0.02 -0.04 4.32 4.11 2j0hE1 THR 112 HG23 -0.17 0.02 -0.07 -0.04 1.22 0.95 2j0hE1 ASP 113 H -0.00 0.13 0.14 -0.55 8.40 8.12 2j0hE1 ASP 113 HA 0.04 0.03 0.33 -0.75 4.63 4.28 2j0hE1 ASP 113 HB2 -0.01 -0.07 -0.10 -0.04 2.71 2.49 2j0hE1 ASP 113 HB3 0.42 0.10 -0.26 -0.04 2.70 2.92 2j0hE1 GLY 114 H 0.07 0.14 -0.18 -0.55 8.43 7.92 2j0hE1 GLY 114 HA2 0.03 -0.04 0.28 -0.51 4.01 3.78 2j0hE1 GLY 114 HA3 0.03 0.16 0.65 -0.51 4.01 4.34 2j0hE1 GLY 115 H 0.24 0.55 -0.73 -0.55 8.43 7.94 2j0hE1 GLY 115 HA2 0.22 -0.11 -0.04 -0.51 4.01 3.57 2j0hE1 GLY 115 HA3 0.06 0.19 0.06 -0.51 4.01 3.81 2j0hE1 GLY 116 H -0.00 0.14 0.11 -0.55 8.43 8.13 2j0hE1 GLY 116 HA2 -0.14 0.04 -0.01 -0.51 4.01 3.40 2j0hE1 GLY 116 HA3 -0.25 0.17 0.57 -0.51 4.01 3.99 2j0hE1 TRP 117 H 0.16 0.33 0.01 -0.55 7.97 7.92 2j0hE1 TRP 117 HA -0.04 0.34 0.69 -0.75 4.62 4.86 2j0hE1 TRP 117 HB2 -0.06 -0.12 0.07 -0.04 3.23 3.08 2j0hE1 TRP 117 HB3 -0.05 -0.01 -0.16 -0.04 3.23 2.97 2j0hE1 TRP 117 HD1 -0.04 -0.05 -0.11 -0.04 7.22 6.97 2j0hE1 TRP 117 HE1 -0.04 0.23 -0.20 -0.04 10.20 10.15 2j0hE1 TRP 117 HE3 -0.02 -0.01 -0.71 -0.04 7.59 6.81 2j0hE1 TRP 117 HZ2 -0.02 0.04 -0.12 -0.04 7.44 7.30 2j0hE1 TRP 117 HZ3 0.00 0.05 -0.36 -0.04 7.13 6.78 2j0hE1 TRP 117 HH2 0.00 -0.03 -0.23 -0.04 7.19 6.89 2j0hE1 THR 118 H 0.15 0.73 0.41 -0.55 8.28 9.02 2j0hE1 THR 118 HA 0.02 0.20 0.91 -0.75 4.39 4.76 2j0hE1 THR 118 HB 0.10 -0.02 0.18 -0.04 4.32 4.53 2j0hE1 THR 118 HG23 0.02 0.02 -0.09 -0.04 1.22 1.13 2j0hE1 VAL 119 H -0.04 0.62 0.30 -0.55 8.24 8.57 2j0hE1 VAL 119 HA -0.08 0.10 0.82 -0.75 4.13 4.22 2j0hE1 VAL 119 HB -0.06 0.02 0.14 -0.04 2.12 2.18 2j0hE1 VAL 119 HG13 -0.17 -0.02 -0.15 -0.04 0.97 0.59 2j0hE1 VAL 119 HG23 -0.08 -0.00 -0.15 -0.04 0.95 0.67 2j0hE1 PHE 120 H -0.42 0.60 0.47 -0.55 8.34 8.44 2j0hE1 PHE 120 HA 0.03 0.22 0.99 -0.75 4.62 5.11 2j0hE1 PHE 120 HB2 -0.36 -0.10 0.11 -0.04 3.15 2.76 2j0hE1 PHE 120 HB3 -0.12 0.05 -0.07 -0.04 3.06 2.88 2j0hE1 PHE 120 HD2 -0.52 -0.05 -0.12 -0.04 7.28 6.56 2j0hE1 PHE 120 HE2 -0.14 -0.00 -0.20 -0.04 7.38 7.00 2j0hE1 PHE 120 HZ -0.33 -0.02 -0.13 -0.04 7.32 6.80 2j0hE1 GLN 121 H -0.57 0.29 0.27 -0.55 8.47 7.92 2j0hE1 GLN 121 HA -0.29 0.36 0.92 -0.75 4.36 4.60 2j0hE1 GLN 121 HB2 -0.16 0.00 -0.10 -0.04 2.15 1.85 2j0hE1 GLN 121 HB3 -0.26 -0.13 0.08 -0.04 2.02 1.66 2j0hE1 GLN 121 HG2 0.37 0.08 0.11 -0.04 2.40 2.92 2j0hE1 GLN 121 HG3 1.00 -0.02 -0.02 -0.04 2.39 3.30 2j0hE1 GLN 121 HE21 0.09 0.06 -0.14 -0.04 6.97 6.94 2j0hE1 GLN 121 HE22 0.33 -0.00 -0.26 -0.04 7.69 7.71 2j0hE1 ARG 122 H -0.31 0.50 0.31 -0.55 8.46 8.41 2j0hE1 ARG 122 HA -0.23 0.33 0.96 -0.75 4.34 4.64 2j0hE1 ARG 122 HB2 -0.59 -0.01 -0.31 -0.04 1.90 0.95 2j0hE1 ARG 122 HB3 -0.48 -0.02 0.12 -0.04 1.80 1.38 2j0hE1 ARG 122 HG2 -0.07 -0.07 -0.23 -0.04 1.67 1.26 2j0hE1 ARG 122 HG3 -0.14 0.05 0.11 -0.04 1.67 1.65 2j0hE1 ARG 122 HD2 -0.04 -0.06 -0.06 -0.04 3.22 3.02 2j0hE1 ARG 122 HD3 0.04 -0.01 -0.09 -0.04 3.22 3.12 2j0hE1 ARG 123 H -0.12 0.61 0.39 -0.55 8.46 8.79 2j0hE1 ARG 123 HA -0.06 0.03 0.97 -0.75 4.34 4.53 2j0hE1 ARG 123 HB2 -0.01 -0.03 0.04 -0.04 1.90 1.86 2j0hE1 ARG 123 HB3 0.07 -0.04 0.07 -0.04 1.80 1.86 2j0hE1 ARG 123 HG2 -0.19 -0.07 -0.12 -0.04 1.67 1.26 2j0hE1 ARG 123 HG3 -0.18 0.14 -0.01 -0.04 1.67 1.58 2j0hE1 ARG 123 HD2 -0.64 0.05 -0.04 -0.04 3.22 2.55 2j0hE1 ARG 123 HD3 -1.23 0.04 -0.06 -0.04 3.22 1.93 2j0hE1 VAL 124 H -0.03 -0.23 0.24 -0.55 8.24 7.67 2j0hE1 VAL 124 HA 0.04 0.33 0.96 -0.75 4.13 4.70 2j0hE1 VAL 124 HB 0.01 -0.01 -0.39 -0.04 2.12 1.69 2j0hE1 VAL 124 HG13 0.02 -0.02 -0.14 -0.04 0.97 0.80 2j0hE1 VAL 124 HG23 -0.00 0.01 0.08 -0.04 0.95 1.00 2j0hE1 ASP 125 H -0.27 -0.39 0.33 -0.55 8.40 7.53 2j0hE1 ASP 125 HA -0.12 0.30 0.89 -0.75 4.63 4.95 2j0hE1 ASP 125 HB2 -0.05 0.08 0.12 -0.04 2.71 2.81 2j0hE1 ASP 125 HB3 -0.02 0.12 -0.22 -0.04 2.70 2.54 2j0hE1 GLY 126 H -0.73 -0.21 0.27 -0.55 8.43 7.20 2j0hE1 GLY 126 HA2 -0.48 0.02 0.40 -0.51 4.01 3.44 2j0hE1 GLY 126 HA3 -0.62 0.26 0.58 -0.51 4.01 3.72 2j0hE1 SER 127 H -0.12 -0.08 -0.07 -0.55 8.46 7.64 2j0hE1 SER 127 HA -0.01 0.21 0.35 -0.75 4.49 4.29 2j0hE1 SER 127 HB2 0.02 0.05 0.07 -0.04 3.95 4.05 2j0hE1 SER 127 HB3 -0.02 0.06 0.01 -0.04 3.93 3.94 2j0hE1 VAL 128 H 0.13 -0.00 -0.21 -0.55 8.24 7.60 2j0hE1 VAL 128 HA 0.12 0.22 0.93 -0.75 4.13 4.64 2j0hE1 VAL 128 HB 0.43 -0.06 -0.02 -0.04 2.12 2.43 2j0hE1 VAL 128 HG13 0.15 0.04 -0.25 -0.04 0.97 0.87 2j0hE1 VAL 128 HG23 0.16 0.01 -0.08 -0.04 0.95 1.00 2j0hE1 ASP 129 H 0.09 0.16 0.09 -0.55 8.40 8.18 2j0hE1 ASP 129 HA 0.19 0.07 0.51 -0.75 4.63 4.65 2j0hE1 ASP 129 HB2 0.06 0.06 0.08 -0.04 2.71 2.87 2j0hE1 ASP 129 HB3 -0.01 -0.01 0.10 -0.04 2.70 2.75 2j0hE1 PHE 130 H 0.39 0.18 0.17 -0.55 8.34 8.53 2j0hE1 PHE 130 HA 0.17 0.14 0.77 -0.75 4.62 4.95 2j0hE1 PHE 130 HB2 0.21 0.07 0.03 -0.04 3.15 3.43 2j0hE1 PHE 130 HB3 0.30 0.15 0.09 -0.04 3.06 3.55 2j0hE1 PHE 130 HD2 0.31 0.11 -0.12 -0.04 7.28 7.53 2j0hE1 PHE 130 HE2 0.22 -0.08 -0.11 -0.04 7.38 7.37 2j0hE1 PHE 130 HZ 0.04 -0.04 -0.10 -0.04 7.32 7.18 2j0hE1 TYR 131 H 0.28 -0.01 -0.10 -0.55 8.29 7.91 2j0hE1 TYR 131 HA 0.13 0.24 0.47 -0.75 4.56 4.64 2j0hE1 TYR 131 HB2 0.08 0.06 0.06 -0.04 3.06 3.21 2j0hE1 TYR 131 HB3 0.04 -0.06 0.14 -0.04 2.98 3.07 2j0hE1 TYR 131 HD2 0.04 0.06 -0.07 -0.04 7.15 7.15 2j0hE1 TYR 131 HE2 0.02 0.06 -0.01 -0.04 6.85 6.89 2j0hE1 ARG 132 H 0.15 0.53 -0.15 -0.55 8.46 8.45 2j0hE1 ARG 132 HA -0.18 0.21 0.78 -0.75 4.34 4.40 2j0hE1 ARG 132 HB2 -0.44 0.03 -0.11 -0.04 1.90 1.34 2j0hE1 ARG 132 HB3 -0.34 -0.14 0.04 -0.04 1.80 1.32 2j0hE1 ARG 132 HG2 -0.39 -0.12 -0.62 -0.04 1.67 0.49 2j0hE1 ARG 132 HG3 -1.41 0.06 -0.14 -0.04 1.67 0.13 2j0hE1 ARG 132 HD2 -0.27 -0.07 -0.11 -0.04 3.22 2.73 2j0hE1 ARG 132 HD3 -0.18 -0.03 -0.41 -0.04 3.22 2.56 2j0hE1 ASP 133 H -0.07 0.13 0.12 -0.55 8.40 8.03 2j0hE1 ASP 133 HA 0.06 0.08 0.57 -0.75 4.63 4.59 2j0hE1 ASP 133 HB2 0.08 -0.05 0.16 -0.04 2.71 2.86 2j0hE1 ASP 133 HB3 -0.02 0.14 0.08 -0.04 2.70 2.86 2j0hE1 TRP 134 H 0.32 0.17 0.12 -0.55 7.97 8.04 2j0hE1 TRP 134 HA 0.15 0.11 0.24 -0.75 4.62 4.37 2j0hE1 TRP 134 HB2 0.07 -0.02 0.06 -0.04 3.23 3.30 2j0hE1 TRP 134 HB3 0.07 0.02 0.07 -0.04 3.23 3.35 2j0hE1 TRP 134 HD1 0.10 0.00 -0.21 -0.04 7.22 7.06 2j0hE1 TRP 134 HE1 0.12 0.01 -0.06 -0.04 10.20 10.24 2j0hE1 TRP 134 HE3 0.14 -0.17 -0.04 -0.04 7.59 7.49 2j0hE1 TRP 134 HZ2 -0.00 0.00 -0.02 -0.04 7.44 7.38 2j0hE1 TRP 134 HZ3 0.25 0.23 -0.25 -0.04 7.13 7.32 2j0hE1 TRP 134 HH2 0.23 0.08 -0.07 -0.04 7.19 7.39 2j0hE1 ALA 135 H 0.24 0.10 -0.11 -0.55 8.40 8.08 2j0hE1 ALA 135 HA 0.15 0.11 0.39 -0.75 4.34 4.23 2j0hE1 ALA 135 HB3 0.11 0.03 0.06 -0.04 1.41 1.57 2j0hE1 THR 136 H 0.05 0.07 -0.42 -0.55 8.28 7.43 2j0hE1 THR 136 HA 0.01 0.18 0.40 -0.75 4.39 4.23 2j0hE1 THR 136 HB -0.15 0.04 0.03 -0.04 4.32 4.21 2j0hE1 THR 136 HG23 -0.30 0.03 -0.13 -0.04 1.22 0.77 2j0hE1 TYR 137 H 0.12 0.48 -0.08 -0.55 8.29 8.26 2j0hE1 TYR 137 HA 0.12 0.07 0.44 -0.75 4.56 4.43 2j0hE1 TYR 137 HB2 -0.20 0.02 -0.02 -0.04 3.06 2.83 2j0hE1 TYR 137 HB3 -0.47 -0.03 -0.08 -0.04 2.98 2.36 2j0hE1 TYR 137 HD2 -0.80 -0.00 -0.12 -0.04 7.15 6.18 2j0hE1 TYR 137 HE2 -0.59 -0.03 0.02 -0.04 6.85 6.21 2j0hE1 LYS 138 H -0.11 0.34 -0.54 -0.55 8.42 7.56 2j0hE1 LYS 138 HA -0.31 -0.08 0.43 -0.75 4.32 3.61 2j0hE1 LYS 138 HB2 -0.21 0.10 0.13 -0.04 1.87 1.84 2j0hE1 LYS 138 HB3 -0.01 0.26 0.23 -0.04 1.79 2.23 2j0hE1 LYS 138 HG2 0.06 0.01 -0.14 -0.04 1.46 1.35 2j0hE1 LYS 138 HG3 0.15 -0.09 0.03 -0.04 1.46 1.51 2j0hE1 LYS 138 HD2 0.24 -0.04 -0.01 -0.04 1.69 1.84 2j0hE1 LYS 138 HD3 0.13 0.02 0.04 -0.04 1.68 1.83 2j0hE1 LYS 138 HE2 0.12 0.01 0.00 -0.04 2.99 3.08 2j0hE1 LYS 138 HE3 0.09 0.04 -0.02 -0.04 2.99 3.06 2j0hE1 GLN 139 H 0.02 0.43 -0.02 -0.55 8.47 8.35 2j0hE1 GLN 139 HA 0.02 0.03 0.56 -0.75 4.36 4.21 2j0hE1 GLN 139 HB2 0.03 -0.01 0.16 -0.04 2.15 2.29 2j0hE1 GLN 139 HB3 0.04 -0.09 0.11 -0.04 2.02 2.04 2j0hE1 GLN 139 HG2 0.05 0.06 0.21 -0.04 2.40 2.68 2j0hE1 GLN 139 HG3 0.05 0.25 -0.10 -0.04 2.39 2.55 2j0hE1 GLN 139 HE21 0.02 -0.08 -0.02 -0.04 6.97 6.85 2j0hE1 GLN 139 HE22 0.03 0.09 0.00 -0.04 7.69 7.77 2j0hE1 GLY 140 H 0.12 0.14 -0.31 -0.55 8.43 7.84 2j0hE1 GLY 140 HA2 0.15 -0.10 0.21 -0.51 4.01 3.76 2j0hE1 GLY 140 HA3 0.04 0.26 0.36 -0.51 4.01 4.16 2j0hE1 PHE 141 H -0.29 0.51 0.33 -0.55 8.34 8.34 2j0hE1 PHE 141 HA -0.04 0.13 0.55 -0.75 4.62 4.51 2j0hE1 PHE 141 HB2 -0.12 -0.06 0.09 -0.04 3.15 3.02 2j0hE1 PHE 141 HB3 -0.12 0.15 -0.17 -0.04 3.06 2.87 2j0hE1 PHE 141 HD2 -0.31 0.09 -0.39 -0.04 7.28 6.63 2j0hE1 PHE 141 HE2 -1.75 -0.01 -0.17 -0.04 7.38 5.41 2j0hE1 PHE 141 HZ -0.92 0.06 -0.02 -0.04 7.32 6.40 2j0hE1 GLY 142 H 0.15 0.15 0.18 -0.55 8.43 8.36 2j0hE1 GLY 142 HA2 0.14 -0.04 0.30 -0.51 4.01 3.91 2j0hE1 GLY 142 HA3 0.13 0.21 0.99 -0.51 4.01 4.83 2j0hE1 SER 143 H 0.19 0.83 0.25 -0.55 8.46 9.18 2j0hE1 SER 143 HA -0.09 0.21 0.96 -0.75 4.49 4.81 2j0hE1 SER 143 HB2 0.01 0.09 -0.14 -0.04 3.95 3.87 2j0hE1 SER 143 HB3 0.07 -0.03 0.03 -0.04 3.93 3.95 2j0hE1 ARG 144 H -0.39 0.22 0.09 -0.55 8.46 7.82 2j0hE1 ARG 144 HA -0.53 0.14 0.34 -0.75 4.34 3.54 2j0hE1 ARG 144 HB2 -0.67 -0.02 0.02 -0.04 1.90 1.19 2j0hE1 ARG 144 HB3 -1.85 0.03 0.02 -0.04 1.80 -0.05 2j0hE1 ARG 144 HG2 -2.20 0.05 -0.04 -0.04 1.67 -0.56 2j0hE1 ARG 144 HG3 -0.84 -0.01 0.03 -0.04 1.67 0.81 2j0hE1 ARG 144 HD2 -0.91 -0.01 -0.03 -0.04 3.22 2.22 2j0hE1 ARG 144 HD3 -1.98 0.02 -0.08 -0.04 3.22 1.14 2j0hE1 LEU 145 H -0.07 -0.04 -0.51 -0.55 8.37 7.21 2j0hE1 LEU 145 HA 0.08 0.15 0.46 -0.75 4.35 4.28 2j0hE1 LEU 145 HB2 -0.01 -0.08 -0.01 -0.04 1.64 1.50 2j0hE1 LEU 145 HB3 0.03 0.02 -0.04 -0.04 1.64 1.61 2j0hE1 LEU 145 HG 0.01 0.04 0.02 -0.04 1.64 1.67 2j0hE1 LEU 145 HD13 -0.07 0.01 -0.11 -0.04 0.93 0.71 2j0hE1 LEU 145 HD23 -0.02 -0.00 -0.02 -0.04 0.89 0.82 2j0hE1 GLY 146 H 0.19 0.52 -0.54 -0.55 8.43 8.06 2j0hE1 GLY 146 HA2 0.15 0.13 0.54 -0.51 4.01 4.32 2j0hE1 GLY 146 HA3 0.13 -0.15 0.29 -0.51 4.01 3.77 2j0hE1 GLU 147 H 0.17 -0.00 0.15 -0.55 8.60 8.38 2j0hE1 GLU 147 HA 0.14 0.27 0.60 -0.75 4.29 4.54 2j0hE1 GLU 147 HB2 0.30 -0.08 0.13 -0.04 2.09 2.40 2j0hE1 GLU 147 HB3 0.35 0.20 0.27 -0.04 1.99 2.78 2j0hE1 GLU 147 HG2 0.05 0.06 0.07 -0.04 2.34 2.47 2j0hE1 GLU 147 HG3 0.07 0.00 0.14 -0.04 2.34 2.51 2j0hE1 PHE 148 H 0.07 0.48 0.39 -0.55 8.34 8.73 2j0hE1 PHE 148 HA -0.09 0.06 0.52 -0.75 4.62 4.36 2j0hE1 PHE 148 HB2 -0.01 0.16 -0.01 -0.04 3.15 3.25 2j0hE1 PHE 148 HB3 0.09 0.07 -0.17 -0.04 3.06 3.01 2j0hE1 PHE 148 HD2 0.16 0.10 -0.57 -0.04 7.28 6.92 2j0hE1 PHE 148 HE2 0.11 0.05 -0.20 -0.04 7.38 7.30 2j0hE1 PHE 148 HZ -0.18 -0.00 -0.17 -0.04 7.32 6.93 2j0hE1 TRP 149 H -0.36 0.56 0.31 -0.55 7.97 7.93 2j0hE1 TRP 149 HA 0.01 0.23 0.97 -0.75 4.62 5.08 2j0hE1 TRP 149 HB2 -0.37 0.02 0.07 -0.04 3.23 2.92 2j0hE1 TRP 149 HB3 -1.28 -0.04 0.19 -0.04 3.23 2.07 2j0hE1 TRP 149 HD1 -0.19 0.02 -0.01 -0.04 7.22 7.00 2j0hE1 TRP 149 HE1 -0.16 0.04 -0.05 -0.04 10.20 9.98 2j0hE1 TRP 149 HE3 0.35 0.01 0.07 -0.04 7.59 7.97 2j0hE1 TRP 149 HZ2 -0.19 0.02 -0.10 -0.04 7.44 7.13 2j0hE1 TRP 149 HZ3 0.46 -0.04 -0.06 -0.04 7.13 7.44 2j0hE1 TRP 149 HH2 0.29 -0.01 -0.07 -0.04 7.19 7.36 2j0hE1 LEU 150 H -0.32 0.75 0.31 -0.55 8.37 8.56 2j0hE1 LEU 150 HA 0.07 0.06 0.26 -0.75 4.35 3.99 2j0hE1 LEU 150 HB2 0.05 0.06 0.28 -0.04 1.64 1.98 2j0hE1 LEU 150 HB3 -0.12 0.01 -0.03 -0.04 1.64 1.46 2j0hE1 LEU 150 HG 0.14 0.04 0.06 -0.04 1.64 1.83 2j0hE1 LEU 150 HD13 0.03 -0.02 -0.12 -0.04 0.93 0.78 2j0hE1 LEU 150 HD23 0.02 0.00 0.04 -0.04 0.89 0.92 2j0hE1 GLY 151 H -0.63 -0.05 -0.43 -0.55 8.43 6.77 2j0hE1 GLY 151 HA2 0.26 0.12 0.22 -0.51 4.01 4.11 2j0hE1 GLY 151 HA3 0.01 0.26 0.46 -0.51 4.01 4.23 2j0hE1 ASN 152 H -0.07 0.63 0.33 -0.55 8.53 8.88 2j0hE1 ASN 152 HA -0.22 0.02 0.29 -0.75 4.76 4.09 2j0hE1 ASN 152 HB2 -1.15 -0.02 0.11 -0.04 2.88 1.77 2j0hE1 ASN 152 HB3 -1.91 0.01 -0.02 -0.04 2.79 0.83 2j0hE1 ASN 152 HD21 -1.78 -0.04 -0.16 -0.04 7.03 5.00 2j0hE1 ASN 152 HD22 -1.36 -0.03 -0.18 -0.04 7.74 6.12 2j0hE1 ASP 153 H -0.11 0.52 0.09 -0.55 8.40 8.36 2j0hE1 ASP 153 HA 0.16 0.00 0.51 -0.75 4.63 4.55 2j0hE1 ASP 153 HB2 0.03 0.12 0.12 -0.04 2.71 2.94 2j0hE1 ASP 153 HB3 0.08 0.02 0.01 -0.04 2.70 2.77 2j0hE1 ASN 154 H -0.03 0.23 -0.30 -0.55 8.53 7.88 2j0hE1 ASN 154 HA -0.01 0.02 0.38 -0.75 4.76 4.40 2j0hE1 ASN 154 HB2 -0.06 0.24 -0.07 -0.04 2.88 2.95 2j0hE1 ASN 154 HB3 -0.03 -0.04 -0.07 -0.04 2.79 2.60 2j0hE1 ASN 154 HD21 -0.01 -0.04 0.06 -0.04 7.03 6.99 2j0hE1 ASN 154 HD22 -0.02 0.46 0.13 -0.04 7.74 8.27 2j0hE1 ILE 155 H -0.12 0.44 -0.20 -0.55 8.25 7.83 2j0hE1 ILE 155 HA -0.17 0.03 0.35 -0.75 4.18 3.64 2j0hE1 ILE 155 HB -0.18 0.04 0.03 -0.04 1.89 1.74 2j0hE1 ILE 155 HG12 -0.44 -0.05 -0.06 -0.04 1.49 0.89 2j0hE1 ILE 155 HG13 -0.30 0.30 -0.08 -0.04 1.21 1.09 2j0hE1 ILE 155 HG23 -0.44 -0.02 -0.13 -0.04 0.93 0.31 2j0hE1 ILE 155 HD13 -0.77 -0.05 -0.17 -0.04 0.88 -0.15 2j0hE1 HIS 156 H 0.06 0.54 -0.22 -0.55 8.41 8.25 2j0hE1 HIS 156 HA -0.04 0.09 0.48 -0.75 4.63 4.40 2j0hE1 HIS 156 HB2 0.12 0.10 -0.03 -0.04 3.26 3.41 2j0hE1 HIS 156 HB3 0.07 0.03 0.19 -0.04 3.20 3.45 2j0hE1 HIS 156 HD2 0.05 -0.00 -0.05 -0.04 6.97 6.93 2j0hE1 HIS 156 HE1 0.01 -0.01 -0.00 -0.04 7.75 7.70 2j0hE1 ALA 157 H 0.04 0.67 0.02 -0.55 8.40 8.59 2j0hE1 ALA 157 HA -0.18 -0.04 0.39 -0.75 4.34 3.76 2j0hE1 ALA 157 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 2j0hE1 LEU 158 H -0.07 0.55 -0.35 -0.55 8.37 7.96 2j0hE1 LEU 158 HA -0.04 0.02 0.40 -0.75 4.35 3.97 2j0hE1 LEU 158 HB2 -0.06 0.11 0.08 -0.04 1.64 1.74 2j0hE1 LEU 158 HB3 -0.01 -0.08 -0.06 -0.04 1.64 1.45 2j0hE1 LEU 158 HG -0.03 0.13 0.01 -0.04 1.64 1.71 2j0hE1 LEU 158 HD13 0.00 -0.05 -0.11 -0.04 0.93 0.74 2j0hE1 LEU 158 HD23 -0.01 -0.03 -0.01 -0.04 0.89 0.80 2j0hE1 THR 159 H -0.13 0.42 -0.31 -0.55 8.28 7.72 2j0hE1 THR 159 HA -0.04 0.17 0.85 -0.75 4.39 4.61 2j0hE1 THR 159 HB -0.06 0.16 0.28 -0.04 4.32 4.67 2j0hE1 THR 159 HG23 0.06 -0.00 -0.12 -0.04 1.22 1.11 2j0hE1 ALA 160 H -0.21 0.35 -0.17 -0.55 8.40 7.82 2j0hE1 ALA 160 HA -0.21 -0.02 0.19 -0.75 4.34 3.53 2j0hE1 ALA 160 HB3 -0.45 -0.01 0.02 -0.04 1.41 0.93 2j0hE1 GLN 161 H -0.08 0.19 -0.58 -0.55 8.47 7.45 2j0hE1 GLN 161 HA -0.04 0.23 0.92 -0.75 4.36 4.72 2j0hE1 GLN 161 HB2 -0.04 -0.04 0.01 -0.04 2.15 2.03 2j0hE1 GLN 161 HB3 -0.04 0.04 0.27 -0.04 2.02 2.25 2j0hE1 GLN 161 HG2 -0.02 -0.02 0.02 -0.04 2.40 2.33 2j0hE1 GLN 161 HG3 -0.02 -0.01 -0.02 -0.04 2.39 2.29 2j0hE1 GLN 161 HE21 -0.01 -0.03 0.01 -0.04 6.97 6.90 2j0hE1 GLN 161 HE22 -0.02 -0.02 -0.03 -0.04 7.69 7.58 2j0hE1 GLY 162 H -0.03 0.26 0.04 -0.55 8.43 8.15 2j0hE1 GLY 162 HA2 -0.01 -0.06 0.22 -0.51 4.01 3.65 2j0hE1 GLY 162 HA3 -0.02 0.25 0.96 -0.51 4.01 4.69 2j0hE1 THR 163 H -0.01 0.13 0.23 -0.55 8.28 8.08 2j0hE1 THR 163 HA 0.01 0.08 0.75 -0.75 4.39 4.48 2j0hE1 THR 163 HB 0.00 0.10 0.06 -0.04 4.32 4.44 2j0hE1 THR 163 HG23 0.02 -0.00 0.12 -0.04 1.22 1.31 2j0hE1 SER 164 H 0.04 0.17 0.10 -0.55 8.46 8.23 2j0hE1 SER 164 HA 0.02 -0.08 0.64 -0.75 4.49 4.31 2j0hE1 SER 164 HB2 0.02 0.16 -0.21 -0.04 3.95 3.87 2j0hE1 SER 164 HB3 0.05 0.09 -0.09 -0.04 3.93 3.93 2j0hE1 GLU 165 H 0.05 0.74 0.31 -0.55 8.60 9.15 2j0hE1 GLU 165 HA 0.17 0.08 0.38 -0.75 4.29 4.17 2j0hE1 GLU 165 HB2 0.25 -0.02 0.05 -0.04 2.09 2.32 2j0hE1 GLU 165 HB3 0.12 0.05 0.09 -0.04 1.99 2.21 2j0hE1 GLU 165 HG2 -0.00 -0.03 -0.10 -0.04 2.34 2.16 2j0hE1 GLU 165 HG3 -0.01 -0.04 -0.03 -0.04 2.34 2.22 2j0hE1 LEU 166 H 0.24 0.40 0.24 -0.55 8.37 8.70 2j0hE1 LEU 166 HA 0.17 0.37 1.13 -0.75 4.35 5.27 2j0hE1 LEU 166 HB2 -0.10 0.06 -0.12 -0.04 1.64 1.44 2j0hE1 LEU 166 HB3 0.15 -0.07 0.07 -0.04 1.64 1.75 2j0hE1 LEU 166 HG -0.01 -0.01 -0.47 -0.04 1.64 1.10 2j0hE1 LEU 166 HD13 -0.48 0.04 -0.07 -0.04 0.93 0.38 2j0hE1 LEU 166 HD23 -0.17 -0.03 -0.13 -0.04 0.89 0.52 2j0hE1 ARG 167 H -0.14 0.68 0.36 -0.55 8.46 8.80 2j0hE1 ARG 167 HA -0.13 0.23 1.07 -0.75 4.34 4.76 2j0hE1 ARG 167 HB2 -0.98 0.03 -0.06 -0.04 1.90 0.85 2j0hE1 ARG 167 HB3 -1.32 -0.01 0.03 -0.04 1.80 0.45 2j0hE1 ARG 167 HG2 -0.44 -0.05 -0.32 -0.04 1.67 0.82 2j0hE1 ARG 167 HG3 -0.21 -0.02 -0.04 -0.04 1.67 1.37 2j0hE1 ARG 167 HD2 -0.52 0.07 -0.14 -0.04 3.22 2.59 2j0hE1 ARG 167 HD3 -1.15 -0.01 -0.17 -0.04 3.22 1.85 2j0hE1 THR 168 H -0.14 0.56 0.34 -0.55 8.28 8.49 2j0hE1 THR 168 HA -0.26 0.34 1.14 -0.75 4.39 4.85 2j0hE1 THR 168 HB -0.33 -0.09 0.16 -0.04 4.32 4.02 2j0hE1 THR 168 HG23 -0.52 -0.00 -0.16 -0.04 1.22 0.49 2j0hE1 ASP 169 H -0.29 0.48 0.27 -0.55 8.40 8.31 2j0hE1 ASP 169 HA -0.17 0.19 1.03 -0.75 4.63 4.93 2j0hE1 ASP 169 HB2 -0.24 -0.02 0.13 -0.04 2.71 2.54 2j0hE1 ASP 169 HB3 -0.17 0.04 -0.05 -0.04 2.70 2.49 2j0hE1 LEU 170 H -0.23 0.89 0.37 -0.55 8.37 8.85 2j0hE1 LEU 170 HA -0.39 0.27 1.10 -0.75 4.35 4.57 2j0hE1 LEU 170 HB2 -0.50 -0.08 -0.04 -0.04 1.64 0.98 2j0hE1 LEU 170 HB3 -1.22 0.01 -0.02 -0.04 1.64 0.37 2j0hE1 LEU 170 HG -0.71 -0.02 -0.50 -0.04 1.64 0.37 2j0hE1 LEU 170 HD13 -1.23 -0.01 -0.14 -0.04 0.93 -0.50 2j0hE1 LEU 170 HD23 -0.61 0.06 -0.09 -0.04 0.89 0.21 2j0hE1 VAL 171 H -0.20 0.63 0.34 -0.55 8.24 8.46 2j0hE1 VAL 171 HA -0.22 0.42 1.20 -0.75 4.13 4.78 2j0hE1 VAL 171 HB -0.29 -0.06 0.09 -0.04 2.12 1.82 2j0hE1 VAL 171 HG13 -0.34 -0.00 -0.10 -0.04 0.97 0.49 2j0hE1 VAL 171 HG23 -0.85 0.00 -0.24 -0.04 0.95 -0.18 2j0hE1 ASP 172 H -0.05 0.34 0.23 -0.55 8.40 8.37 2j0hE1 ASP 172 HA 0.00 0.09 1.01 -0.75 4.63 4.98 2j0hE1 ASP 172 HB2 0.21 -0.04 0.20 -0.04 2.71 3.03 2j0hE1 ASP 172 HB3 -0.06 0.09 0.05 -0.04 2.70 2.73 2j0hE1 PHE 173 H 0.37 0.20 0.14 -0.55 8.34 8.50 2j0hE1 PHE 173 HA 0.04 0.24 0.71 -0.75 4.62 4.85 2j0hE1 PHE 173 HB2 0.09 -0.02 0.10 -0.04 3.15 3.28 2j0hE1 PHE 173 HB3 0.04 0.07 0.16 -0.04 3.06 3.29 2j0hE1 PHE 173 HD2 -0.05 -0.03 -0.00 -0.04 7.28 7.16 2j0hE1 PHE 173 HE2 -0.11 0.14 -0.05 -0.04 7.38 7.31 2j0hE1 PHE 173 HZ -0.13 0.03 -0.03 -0.04 7.32 7.15 2j0hE1 GLU 174 H 0.08 -0.09 -0.41 -0.55 8.60 7.64 2j0hE1 GLU 174 HA 0.08 0.30 0.82 -0.75 4.29 4.74 2j0hE1 GLU 174 HB2 0.03 -0.05 0.06 -0.04 2.09 2.09 2j0hE1 GLU 174 HB3 0.05 0.09 0.13 -0.04 1.99 2.21 2j0hE1 GLU 174 HG2 0.10 0.14 -0.21 -0.04 2.34 2.32 2j0hE1 GLU 174 HG3 0.12 -0.18 -0.12 -0.04 2.34 2.11 2j0hE1 ASP 175 H 0.03 0.24 -0.34 -0.55 8.40 7.78 2j0hE1 ASP 175 HA -0.00 0.06 0.21 -0.75 4.63 4.14 2j0hE1 ASP 175 HB2 0.09 0.01 -0.19 -0.04 2.71 2.59 2j0hE1 ASP 175 HB3 0.18 0.02 0.22 -0.04 2.70 3.08 2j0hE1 ASN 176 H 0.00 -0.15 -0.35 -0.55 8.53 7.49 2j0hE1 ASN 176 HA 0.14 0.22 0.89 -0.75 4.76 5.26 2j0hE1 ASN 176 HB2 -0.00 -0.19 0.07 -0.04 2.88 2.72 2j0hE1 ASN 176 HB3 0.03 0.06 -0.06 -0.04 2.79 2.78 2j0hE1 ASN 176 HD21 -0.00 0.07 -0.02 -0.04 7.03 7.03 2j0hE1 ASN 176 HD22 -0.03 -0.11 -0.03 -0.04 7.74 7.53 2j0hE1 TYR 177 H 0.25 0.22 0.13 -0.55 8.29 8.34 2j0hE1 TYR 177 HA -0.02 0.27 0.94 -0.75 4.56 4.99 2j0hE1 TYR 177 HB2 -0.03 -0.01 0.18 -0.04 3.06 3.16 2j0hE1 TYR 177 HB3 -0.06 -0.01 0.02 -0.04 2.98 2.89 2j0hE1 TYR 177 HD2 -0.05 0.04 -0.16 -0.04 7.15 6.94 2j0hE1 TYR 177 HE2 -0.04 0.01 -0.07 -0.04 6.85 6.71 2j0hE1 GLN 178 H -0.03 0.61 0.32 -0.55 8.47 8.82 2j0hE1 GLN 178 HA 0.17 0.18 0.96 -0.75 4.36 4.91 2j0hE1 GLN 178 HB2 -0.08 -0.04 -0.01 -0.04 2.15 1.98 2j0hE1 GLN 178 HB3 -0.04 -0.03 -0.03 -0.04 2.02 1.88 2j0hE1 GLN 178 HG2 0.07 0.07 -0.20 -0.04 2.40 2.30 2j0hE1 GLN 178 HG3 0.07 -0.05 -0.22 -0.04 2.39 2.15 2j0hE1 GLN 178 HE21 0.07 0.11 0.08 -0.04 6.97 7.18 2j0hE1 GLN 178 HE22 0.04 0.11 -0.11 -0.04 7.69 7.69 2j0hE1 PHE 179 H -0.02 0.16 0.21 -0.55 8.34 8.14 2j0hE1 PHE 179 HA -0.29 0.44 0.89 -0.75 4.62 4.90 2j0hE1 PHE 179 HB2 -0.20 0.03 0.10 -0.04 3.15 3.04 2j0hE1 PHE 179 HB3 -0.14 0.07 -0.31 -0.04 3.06 2.64 2j0hE1 PHE 179 HD2 -0.10 0.03 -0.07 -0.04 7.28 7.10 2j0hE1 PHE 179 HE2 -0.05 0.11 -0.03 -0.04 7.38 7.37 2j0hE1 PHE 179 HZ -0.04 0.08 -0.05 -0.04 7.32 7.28 2j0hE1 ALA 180 H -0.16 0.40 0.33 -0.55 8.40 8.42 2j0hE1 ALA 180 HA -0.51 0.03 0.58 -0.75 4.34 3.69 2j0hE1 ALA 180 HB3 0.10 0.02 -0.05 -0.04 1.41 1.43 2j0hE1 LYS 181 H -0.70 0.54 0.35 -0.55 8.42 8.05 2j0hE1 LYS 181 HA -0.05 0.37 1.31 -0.75 4.32 5.20 2j0hE1 LYS 181 HB2 -0.00 -0.05 -0.02 -0.04 1.87 1.75 2j0hE1 LYS 181 HB3 -0.17 -0.02 0.13 -0.04 1.79 1.69 2j0hE1 LYS 181 HG2 0.02 -0.01 -0.13 -0.04 1.46 1.31 2j0hE1 LYS 181 HG3 0.13 0.13 0.05 -0.04 1.46 1.73 2j0hE1 LYS 181 HD2 0.05 -0.05 -0.09 -0.04 1.69 1.55 2j0hE1 LYS 181 HD3 0.17 0.04 -0.09 -0.04 1.68 1.76 2j0hE1 LYS 181 HE2 0.19 -0.03 -0.08 -0.04 2.99 3.04 2j0hE1 LYS 181 HE3 0.14 -0.05 -0.08 -0.04 2.99 2.96 2j0hE1 TYR 182 H 0.18 0.66 0.39 -0.55 8.29 8.97 2j0hE1 TYR 182 HA -0.00 0.20 1.02 -0.75 4.56 5.01 2j0hE1 TYR 182 HB2 0.11 0.02 0.07 -0.04 3.06 3.22 2j0hE1 TYR 182 HB3 0.11 0.10 -0.08 -0.04 2.98 3.08 2j0hE1 TYR 182 HD2 0.14 0.17 -0.22 -0.04 7.15 7.20 2j0hE1 TYR 182 HE2 0.37 -0.06 -0.12 -0.04 6.85 7.00 2j0hE1 ARG 183 H 0.13 0.46 0.16 -0.55 8.46 8.66 2j0hE1 ARG 183 HA 0.10 0.11 0.27 -0.75 4.34 4.06 2j0hE1 ARG 183 HB2 0.05 0.02 0.12 -0.04 1.90 2.05 2j0hE1 ARG 183 HB3 0.07 -0.07 0.12 -0.04 1.80 1.88 2j0hE1 ARG 183 HG2 0.05 -0.01 0.16 -0.04 1.67 1.83 2j0hE1 ARG 183 HG3 0.05 0.02 0.12 -0.04 1.67 1.82 2j0hE1 ARG 183 HD2 0.04 -0.01 0.03 -0.04 3.22 3.24 2j0hE1 ARG 183 HD3 0.03 0.02 0.05 -0.04 3.22 3.27 2j0hE1 SER 184 H 0.16 0.08 -0.11 -0.55 8.46 8.04 2j0hE1 SER 184 HA 0.13 0.27 0.32 -0.75 4.49 4.45 2j0hE1 SER 184 HB2 0.05 0.12 0.17 -0.04 3.95 4.25 2j0hE1 SER 184 HB3 0.06 0.08 -0.00 -0.04 3.93 4.03 2j0hE1 PHE 185 H 0.13 0.50 0.23 -0.55 8.34 8.64 2j0hE1 PHE 185 HA -0.08 0.12 0.88 -0.75 4.62 4.79 2j0hE1 PHE 185 HB2 0.01 -0.05 -0.22 -0.04 3.15 2.85 2j0hE1 PHE 185 HB3 0.03 0.11 -0.11 -0.04 3.06 3.05 2j0hE1 PHE 185 HD2 -0.14 0.01 -0.15 -0.04 7.28 6.97 2j0hE1 PHE 185 HE2 -0.53 -0.02 -0.15 -0.04 7.38 6.64 2j0hE1 PHE 185 HZ -0.22 -0.04 -0.15 -0.04 7.32 6.86 2j0hE1 LYS 186 H -0.66 0.41 0.29 -0.55 8.42 7.90 2j0hE1 LYS 186 HA -0.33 0.16 0.77 -0.75 4.32 4.17 2j0hE1 LYS 186 HB2 -0.13 0.02 -0.29 -0.04 1.87 1.43 2j0hE1 LYS 186 HB3 -0.18 -0.12 0.06 -0.04 1.79 1.50 2j0hE1 LYS 186 HG2 -0.08 -0.04 -0.22 -0.04 1.46 1.08 2j0hE1 LYS 186 HG3 -0.09 0.43 0.02 -0.04 1.46 1.78 2j0hE1 LYS 186 HD2 -0.05 0.00 -0.06 -0.04 1.69 1.55 2j0hE1 LYS 186 HD3 -0.06 -0.14 -0.10 -0.04 1.68 1.35 2j0hE1 LYS 186 HE2 0.01 -0.08 -0.10 -0.04 2.99 2.78 2j0hE1 LYS 186 HE3 -0.03 0.24 -0.01 -0.04 2.99 3.15 2j0hE1 VAL 187 H -0.20 0.26 0.08 -0.55 8.24 7.82 2j0hE1 VAL 187 HA -0.15 0.38 0.97 -0.75 4.13 4.58 2j0hE1 VAL 187 HB 0.19 0.25 -0.05 -0.04 2.12 2.47 2j0hE1 VAL 187 HG13 -0.29 -0.02 -0.24 -0.04 0.97 0.38 2j0hE1 VAL 187 HG23 0.13 0.02 -0.18 -0.04 0.95 0.87 2j0hE1 ALA 188 H 0.05 0.61 -0.01 -0.55 8.40 8.50 2j0hE1 ALA 188 HA 0.10 0.09 0.41 -0.75 4.34 4.18 2j0hE1 ALA 188 HB3 0.00 -0.04 0.05 -0.04 1.41 1.38 2j0hE1 ASP 189 H -0.28 0.09 0.11 -0.55 8.40 7.77 2j0hE1 ASP 189 HA -0.48 0.24 0.58 -0.75 4.63 4.21 2j0hE1 ASP 189 HB2 -0.21 -0.10 0.20 -0.04 2.71 2.55 2j0hE1 ASP 189 HB3 -0.59 0.15 0.12 -0.04 2.70 2.34 2j0hE1 GLU 190 H -0.22 0.21 0.14 -0.55 8.60 8.18 2j0hE1 GLU 190 HA -1.06 0.06 0.28 -0.75 4.29 2.81 2j0hE1 GLU 190 HB2 -0.08 0.03 0.11 -0.04 2.09 2.10 2j0hE1 GLU 190 HB3 -0.04 0.01 0.07 -0.04 1.99 1.99 2j0hE1 GLU 190 HG2 0.12 0.04 -0.11 -0.04 2.34 2.35 2j0hE1 GLU 190 HG3 0.32 -0.00 0.02 -0.04 2.34 2.64 2j0hE1 ALA 191 H -0.11 0.06 -0.15 -0.55 8.40 7.65 2j0hE1 ALA 191 HA -0.04 0.11 0.45 -0.75 4.34 4.10 2j0hE1 ALA 191 HB3 -0.04 0.01 0.04 -0.04 1.41 1.38 2j0hE1 GLU 192 H -0.10 0.11 -0.46 -0.55 8.60 7.60 2j0hE1 GLU 192 HA -0.01 0.19 0.55 -0.75 4.29 4.27 2j0hE1 GLU 192 HB2 -0.03 -0.05 -0.02 -0.04 2.09 1.95 2j0hE1 GLU 192 HB3 0.00 0.05 0.11 -0.04 1.99 2.12 2j0hE1 GLU 192 HG2 -0.05 -0.15 -0.05 -0.04 2.34 2.05 2j0hE1 GLU 192 HG3 -0.02 -0.01 0.01 -0.04 2.34 2.28 2j0hE1 LYS 193 H -0.04 0.48 -0.79 -0.55 8.42 7.52 2j0hE1 LYS 193 HA 0.15 0.03 0.30 -0.75 4.32 4.03 2j0hE1 LYS 193 HB2 0.13 0.06 -0.11 -0.04 1.87 1.91 2j0hE1 LYS 193 HB3 0.30 -0.04 0.22 -0.04 1.79 2.23 2j0hE1 LYS 193 HG2 -0.00 -0.05 0.05 -0.04 1.46 1.42 2j0hE1 LYS 193 HG3 0.01 0.13 0.01 -0.04 1.46 1.56 2j0hE1 LYS 193 HD2 0.01 0.02 -0.03 -0.04 1.69 1.65 2j0hE1 LYS 193 HD3 0.02 -0.00 0.02 -0.04 1.68 1.67 2j0hE1 LYS 193 HE2 -0.22 -0.06 -0.01 -0.04 2.99 2.66 2j0hE1 LYS 193 HE3 -0.09 0.03 0.01 -0.04 2.99 2.90 2j0hE1 TYR 194 H -0.28 0.38 -0.43 -0.55 8.29 7.41 2j0hE1 TYR 194 HA 0.08 0.44 0.07 -0.75 4.56 4.39 2j0hE1 TYR 194 HB2 0.12 -0.02 -0.32 -0.04 3.06 2.80 2j0hE1 TYR 194 HB3 0.09 -0.01 0.04 -0.04 2.98 3.07 2j0hE1 TYR 194 HD2 -0.22 0.21 -0.14 -0.04 7.15 6.95 2j0hE1 TYR 194 HE2 -0.32 -0.01 -0.13 -0.04 6.85 6.36 2j0hE1 ASN 195 H 0.15 0.16 -0.71 -0.55 8.53 7.59 2j0hE1 ASN 195 HA 0.27 0.24 0.33 -0.75 4.76 4.84 2j0hE1 ASN 195 HB2 0.10 0.15 0.00 -0.04 2.88 3.09 2j0hE1 ASN 195 HB3 0.06 -0.16 0.04 -0.04 2.79 2.69 2j0hE1 ASN 195 HD21 0.02 -0.04 -0.18 -0.04 7.03 6.79 2j0hE1 ASN 195 HD22 0.07 0.07 -0.23 -0.04 7.74 7.60 2j0hE1 LEU 196 H -0.00 0.40 0.27 -0.55 8.37 8.49 2j0hE1 LEU 196 HA -0.39 0.31 1.13 -0.75 4.35 4.64 2j0hE1 LEU 196 HB2 -1.72 0.02 0.09 -0.04 1.64 -0.00 2j0hE1 LEU 196 HB3 -0.62 0.07 0.29 -0.04 1.64 1.33 2j0hE1 LEU 196 HG -0.39 -0.13 -0.50 -0.04 1.64 0.58 2j0hE1 LEU 196 HD13 -0.79 0.03 -0.08 -0.04 0.93 0.06 2j0hE1 LEU 196 HD23 -0.55 0.04 -0.12 -0.04 0.89 0.21 2j0hE1 VAL 197 H -0.29 0.68 0.31 -0.55 8.24 8.39 2j0hE1 VAL 197 HA -0.10 0.04 0.84 -0.75 4.13 4.15 2j0hE1 VAL 197 HB -0.13 0.01 0.13 -0.04 2.12 2.09 2j0hE1 VAL 197 HG13 -0.04 -0.00 -0.12 -0.04 0.97 0.76 2j0hE1 VAL 197 HG23 -0.07 0.03 -0.13 -0.04 0.95 0.74 2j0hE1 LEU 198 H -0.06 0.19 0.14 -0.55 8.37 8.09 2j0hE1 LEU 198 HA -0.02 0.26 1.01 -0.75 4.35 4.83 2j0hE1 LEU 198 HB2 -0.13 -0.01 -0.16 -0.04 1.64 1.31 2j0hE1 LEU 198 HB3 -0.02 -0.04 0.10 -0.04 1.64 1.64 2j0hE1 LEU 198 HG 0.06 0.28 -0.14 -0.04 1.64 1.79 2j0hE1 LEU 198 HD13 -0.07 0.05 0.05 -0.04 0.93 0.91 2j0hE1 LEU 198 HD23 -0.31 -0.04 -0.21 -0.04 0.89 0.29 2j0hE1 GLY 199 H 0.09 0.48 0.13 -0.55 8.43 8.58 2j0hE1 GLY 199 HA2 0.08 0.13 0.57 -0.51 4.01 4.28 2j0hE1 GLY 199 HA3 0.10 -0.06 0.38 -0.51 4.01 3.92 2j0hE1 ALA 200 H 0.11 0.13 0.15 -0.55 8.40 8.24 2j0hE1 ALA 200 HA 0.17 0.05 0.45 -0.75 4.34 4.26 2j0hE1 ALA 200 HB3 0.09 0.04 0.06 -0.04 1.41 1.55 2j0hE1 PHE 201 H 0.31 0.12 0.20 -0.55 8.34 8.41 2j0hE1 PHE 201 HA -0.39 0.13 0.76 -0.75 4.62 4.38 2j0hE1 PHE 201 HB2 0.05 -0.07 0.19 -0.04 3.15 3.27 2j0hE1 PHE 201 HB3 -0.01 0.03 0.21 -0.04 3.06 3.25 2j0hE1 PHE 201 HD2 -0.27 0.01 -0.11 -0.04 7.28 6.87 2j0hE1 PHE 201 HE2 -0.06 0.05 -0.20 -0.04 7.38 7.13 2j0hE1 PHE 201 HZ -0.13 0.15 -0.07 -0.04 7.32 7.22 2j0hE1 VAL 202 H -0.41 0.40 0.37 -0.55 8.24 8.05 2j0hE1 VAL 202 HA -0.07 0.05 0.41 -0.75 4.13 3.77 2j0hE1 VAL 202 HB -0.19 -0.02 -0.02 -0.04 2.12 1.85 2j0hE1 VAL 202 HG13 -0.03 -0.00 -0.08 -0.04 0.97 0.81 2j0hE1 VAL 202 HG23 -0.02 0.00 -0.06 -0.04 0.95 0.83 2j0hE1 GLU 203 H -1.04 0.29 0.14 -0.55 8.60 7.44 2j0hE1 GLU 203 HA -0.18 0.05 0.36 -0.75 4.29 3.76 2j0hE1 GLU 203 HB2 -0.04 -0.08 0.07 -0.04 2.09 2.00 2j0hE1 GLU 203 HB3 -0.05 0.40 0.30 -0.04 1.99 2.59 2j0hE1 GLU 203 HG2 -0.05 0.07 -0.39 -0.04 2.34 1.93 2j0hE1 GLU 203 HG3 -0.13 -0.12 -0.24 -0.04 2.34 1.82 2j0hE1 GLY 204 H -0.08 0.22 0.09 -0.55 8.43 8.11 2j0hE1 GLY 204 HA2 -1.46 0.02 0.28 -0.51 4.01 2.35 2j0hE1 GLY 204 HA3 -0.87 0.07 0.73 -0.51 4.01 3.43 2j0hE1 SER 205 H -0.99 0.15 0.17 -0.55 8.46 7.24 2j0hE1 SER 205 HA -0.01 0.08 0.30 -0.75 4.49 4.10 2j0hE1 SER 205 HB2 0.10 0.07 0.21 -0.04 3.95 4.29 2j0hE1 SER 205 HB3 0.27 0.01 0.20 -0.04 3.93 4.38 2j0hE1 ALA 206 H -0.24 0.44 -0.50 -0.55 8.40 7.55 2j0hE1 ALA 206 HA 0.03 0.15 0.66 -0.75 4.34 4.43 2j0hE1 ALA 206 HB3 -0.34 -0.07 -0.10 -0.04 1.41 0.87 2j0hE1 GLY 207 H 0.17 0.38 -0.01 -0.55 8.43 8.43 2j0hE1 GLY 207 HA2 -0.04 0.00 0.33 -0.51 4.01 3.80 2j0hE1 GLY 207 HA3 0.10 0.19 0.42 -0.51 4.01 4.21 2j0hE1 ASP 208 H -0.40 0.18 0.13 -0.55 8.40 7.76 2j0hE1 ASP 208 HA 0.32 0.07 0.52 -0.75 4.63 4.79 2j0hE1 ASP 208 HB2 -0.83 0.08 0.16 -0.04 2.71 2.08 2j0hE1 ASP 208 HB3 -0.17 0.05 0.19 -0.04 2.70 2.73 2j0hE1 SER 209 H -0.05 0.27 0.07 -0.55 8.46 8.20 2j0hE1 SER 209 HA -0.36 0.17 0.43 -0.75 4.49 3.97 2j0hE1 SER 209 HB2 -3.55 0.06 0.08 -0.04 3.95 0.49 2j0hE1 SER 209 HB3 -1.05 0.09 0.11 -0.04 3.93 3.04 2j0hE1 LEU 210 H 0.10 -0.10 -0.02 -0.55 8.37 7.81 2j0hE1 LEU 210 HA 0.11 0.25 0.80 -0.75 4.35 4.76 2j0hE1 LEU 210 HB2 0.20 -0.03 -0.23 -0.04 1.64 1.54 2j0hE1 LEU 210 HB3 -0.22 0.03 -0.06 -0.04 1.64 1.35 2j0hE1 LEU 210 HG -0.11 0.04 -0.12 -0.04 1.64 1.41 2j0hE1 LEU 210 HD13 0.24 0.01 0.03 -0.04 0.93 1.17 2j0hE1 LEU 210 HD23 -0.22 0.02 -0.12 -0.04 0.89 0.53 2j0hE1 THR 211 H 0.24 -0.01 0.10 -0.55 8.28 8.06 2j0hE1 THR 211 HA 0.12 0.17 0.33 -0.75 4.39 4.27 2j0hE1 THR 211 HB 0.16 -0.05 0.10 -0.04 4.32 4.48 2j0hE1 THR 211 HG23 0.10 0.05 -0.09 -0.04 1.22 1.23 2j0hE1 PHE 212 H 0.29 -0.04 -0.36 -0.55 8.34 7.67 2j0hE1 PHE 212 HA 0.01 0.11 0.33 -0.75 4.62 4.31 2j0hE1 PHE 212 HB2 0.01 0.00 -0.02 -0.04 3.15 3.10 2j0hE1 PHE 212 HB3 0.13 -0.09 -0.20 -0.04 3.06 2.87 2j0hE1 PHE 212 HD2 -0.37 0.02 -0.23 -0.04 7.28 6.67 2j0hE1 PHE 212 HE2 -0.12 -0.03 -0.19 -0.04 7.38 7.00 2j0hE1 PHE 212 HZ -0.04 0.00 -0.22 -0.04 7.32 7.02 2j0hE1 HIS 213 H 0.32 0.47 -0.81 -0.55 8.41 7.84 2j0hE1 HIS 213 HA 0.15 0.16 0.54 -0.75 4.63 4.73 2j0hE1 HIS 213 HB2 0.22 0.10 0.09 -0.04 3.26 3.62 2j0hE1 HIS 213 HB3 0.25 0.03 0.16 -0.04 3.20 3.61 2j0hE1 HIS 213 HD2 0.36 -0.12 -0.29 -0.04 6.97 6.88 2j0hE1 HIS 213 HE1 0.58 -0.01 0.13 -0.04 7.75 8.41 2j0hE1 ASN 214 H 0.06 0.46 -0.09 -0.55 8.53 8.41 2j0hE1 ASN 214 HA -0.06 0.04 0.62 -0.75 4.76 4.61 2j0hE1 ASN 214 HB2 0.01 -0.08 0.19 -0.04 2.88 2.96 2j0hE1 ASN 214 HB3 0.00 0.06 0.14 -0.04 2.79 2.96 2j0hE1 ASN 214 HD21 -0.01 -0.04 0.03 -0.04 7.03 6.96 2j0hE1 ASN 214 HD22 -0.01 0.02 -0.08 -0.04 7.74 7.63 2j0hE1 ASN 215 H -0.06 0.57 0.42 -0.55 8.53 8.92 2j0hE1 ASN 215 HA -0.01 -0.01 0.35 -0.75 4.76 4.34 2j0hE1 ASN 215 HB2 -0.01 -0.10 -0.18 -0.04 2.88 2.54 2j0hE1 ASN 215 HB3 -0.01 0.14 0.17 -0.04 2.79 3.05 2j0hE1 ASN 215 HD21 -0.00 -0.04 0.03 -0.04 7.03 6.98 2j0hE1 ASN 215 HD22 -0.01 0.00 0.02 -0.04 7.74 7.72 2j0hE1 GLN 216 H 0.04 0.15 0.04 -0.55 8.47 8.15 2j0hE1 GLN 216 HA 0.12 0.16 0.98 -0.75 4.36 4.87 2j0hE1 GLN 216 HB2 0.22 0.23 0.03 -0.04 2.15 2.59 2j0hE1 GLN 216 HB3 0.28 0.13 -0.13 -0.04 2.02 2.26 2j0hE1 GLN 216 HG2 0.03 0.15 -0.34 -0.04 2.40 2.20 2j0hE1 GLN 216 HG3 0.09 -0.09 -0.20 -0.04 2.39 2.15 2j0hE1 GLN 216 HE21 0.07 -0.06 0.13 -0.04 6.97 7.06 2j0hE1 GLN 216 HE22 0.14 -0.07 0.28 -0.04 7.69 7.99 2j0hE1 SER 217 H 0.19 0.18 0.21 -0.55 8.46 8.50 2j0hE1 SER 217 HA 0.34 0.18 0.58 -0.75 4.49 4.83 2j0hE1 SER 217 HB2 0.17 0.19 0.18 -0.04 3.95 4.45 2j0hE1 SER 217 HB3 0.24 0.02 0.10 -0.04 3.93 4.25 2j0hE1 PHE 218 H 0.52 0.40 0.13 -0.55 8.34 8.83 2j0hE1 PHE 218 HA -0.30 0.08 0.44 -0.75 4.62 4.08 2j0hE1 PHE 218 HB2 0.00 0.18 -0.05 -0.04 3.15 3.24 2j0hE1 PHE 218 HB3 0.17 -0.08 -0.10 -0.04 3.06 3.00 2j0hE1 PHE 218 HD2 -1.29 0.01 -0.27 -0.04 7.28 5.69 2j0hE1 PHE 218 HE2 -1.15 -0.03 -0.16 -0.04 7.38 6.00 2j0hE1 PHE 218 HZ -1.33 0.03 -0.19 -0.04 7.32 5.80 2j0hE1 SER 219 H -0.58 0.43 0.30 -0.55 8.46 8.05 2j0hE1 SER 219 HA 0.35 0.26 0.99 -0.75 4.49 5.33 2j0hE1 SER 219 HB2 0.26 -0.06 0.11 -0.04 3.95 4.21 2j0hE1 SER 219 HB3 0.16 0.08 0.16 -0.04 3.93 4.30 2j0hE1 THR 220 H 0.33 0.35 0.25 -0.55 8.28 8.66 2j0hE1 THR 220 HA -0.03 0.29 0.89 -0.75 4.39 4.78 2j0hE1 THR 220 HB 0.08 0.18 0.22 -0.04 4.32 4.77 2j0hE1 THR 220 HG23 0.12 0.02 -0.25 -0.04 1.22 1.07 2j0hE1 LYS 221 H -0.05 0.38 0.09 -0.55 8.42 8.28 2j0hE1 LYS 221 HA 0.04 -0.02 0.32 -0.75 4.32 3.90 2j0hE1 LYS 221 HB2 -0.08 0.03 -0.06 -0.04 1.87 1.72 2j0hE1 LYS 221 HB3 -0.22 0.10 -0.02 -0.04 1.79 1.61 2j0hE1 LYS 221 HG2 -0.24 0.06 -0.09 -0.04 1.46 1.14 2j0hE1 LYS 221 HG3 -0.16 -0.08 -0.12 -0.04 1.46 1.05 2j0hE1 LYS 221 HD2 -0.84 -0.01 -0.07 -0.04 1.69 0.73 2j0hE1 LYS 221 HD3 -1.49 0.13 -0.24 -0.04 1.68 0.04 2j0hE1 LYS 221 HE2 -0.35 0.17 0.00 -0.04 2.99 2.77 2j0hE1 LYS 221 HE3 -0.20 -0.16 -0.10 -0.04 2.99 2.49 2j0hE1 ASP 222 H 0.05 -0.04 -0.26 -0.55 8.40 7.60 2j0hE1 ASP 222 HA 0.01 0.28 0.66 -0.75 4.63 4.82 2j0hE1 ASP 222 HB2 0.02 0.10 0.14 -0.04 2.71 2.92 2j0hE1 ASP 222 HB3 0.01 0.01 0.02 -0.04 2.70 2.70 2j0hE1 GLN 223 H 0.10 0.14 -0.31 -0.55 8.47 7.85 2j0hE1 GLN 223 HA -0.09 0.17 0.52 -0.75 4.36 4.20 2j0hE1 GLN 223 HB2 -0.25 -0.08 -0.08 -0.04 2.15 1.70 2j0hE1 GLN 223 HB3 -0.24 -0.08 0.14 -0.04 2.02 1.80 2j0hE1 GLN 223 HG2 -0.36 0.08 -0.13 -0.04 2.40 1.95 2j0hE1 GLN 223 HG3 -0.37 0.06 0.07 -0.04 2.39 2.10 2j0hE1 GLN 223 HE21 -1.54 0.01 -0.02 -0.04 6.97 5.38 2j0hE1 GLN 223 HE22 -0.94 -0.04 -0.01 -0.04 7.69 6.66 2j0hE1 ASP 224 H -0.04 0.22 0.02 -0.55 8.40 8.06 2j0hE1 ASP 224 HA 0.06 0.01 0.66 -0.75 4.63 4.61 2j0hE1 ASP 224 HB2 0.02 0.01 0.02 -0.04 2.71 2.71 2j0hE1 ASP 224 HB3 0.00 0.06 0.16 -0.04 2.70 2.88 2j0hE1 ASN 225 H 0.10 0.14 0.15 -0.55 8.53 8.37 2j0hE1 ASN 225 HA 0.03 0.24 0.90 -0.75 4.76 5.18 2j0hE1 ASN 225 HB2 0.15 0.11 -0.08 -0.04 2.88 3.02 2j0hE1 ASN 225 HB3 0.08 0.00 0.15 -0.04 2.79 2.99 2j0hE1 ASN 225 HD21 -0.46 -0.13 -0.07 -0.04 7.03 6.33 2j0hE1 ASN 225 HD22 0.20 0.49 0.12 -0.04 7.74 8.51 2j0hE1 ASP 226 H 0.09 -0.05 -0.09 -0.55 8.40 7.79 2j0hE1 ASP 226 HA 0.15 0.35 0.66 -0.75 4.63 5.04 2j0hE1 ASP 226 HB2 0.16 0.18 -0.01 -0.04 2.71 3.00 2j0hE1 ASP 226 HB3 0.23 -0.07 -0.06 -0.04 2.70 2.76 2j0hE1 LEU 227 H 0.10 0.51 0.23 -0.55 8.37 8.66 2j0hE1 LEU 227 HA 0.04 0.16 0.78 -0.75 4.35 4.58 2j0hE1 LEU 227 HB2 0.03 -0.04 0.05 -0.04 1.64 1.65 2j0hE1 LEU 227 HB3 0.02 -0.04 0.18 -0.04 1.64 1.75 2j0hE1 LEU 227 HG 0.05 0.02 0.07 -0.04 1.64 1.74 2j0hE1 LEU 227 HD13 -0.01 -0.00 0.03 -0.04 0.93 0.90 2j0hE1 LEU 227 HD23 0.03 0.03 -0.16 -0.04 0.89 0.76 2j0hE1 ASN 228 H 0.06 0.15 -0.50 -0.55 8.53 7.70 2j0hE1 ASN 228 HA 0.05 0.21 1.09 -0.75 4.76 5.35 2j0hE1 ASN 228 HB2 0.09 0.06 -0.04 -0.04 2.88 2.94 2j0hE1 ASN 228 HB3 0.07 -0.02 0.06 -0.04 2.79 2.86 2j0hE1 ASN 228 HD21 0.08 0.03 -0.14 -0.04 7.03 6.96 2j0hE1 ASN 228 HD22 0.08 0.06 -0.12 -0.04 7.74 7.73 2j0hE1 THR 229 H 0.03 0.20 0.08 -0.55 8.28 8.04 2j0hE1 THR 229 HA 0.02 0.07 0.12 -0.75 4.39 3.84 2j0hE1 THR 229 HB 0.01 0.02 0.09 -0.04 4.32 4.40 2j0hE1 THR 229 HG23 0.01 0.01 0.05 -0.04 1.22 1.26 2j0hE1 GLY 230 H 0.03 -0.14 -1.16 -0.55 8.43 6.61 2j0hE1 GLY 230 HA2 0.01 0.20 0.85 -0.51 4.01 4.56 2j0hE1 GLY 230 HA3 0.01 -0.07 0.25 -0.51 4.01 3.69 2j0hE1 ASN 231 H -0.01 0.17 0.05 -0.55 8.53 8.20 2j0hE1 ASN 231 HA 0.01 0.19 0.81 -0.75 4.76 5.02 2j0hE1 ASN 231 HB2 0.01 0.12 0.03 -0.04 2.88 3.00 2j0hE1 ASN 231 HB3 -0.00 0.00 0.20 -0.04 2.79 2.95 2j0hE1 ASN 231 HD21 0.03 0.21 0.04 -0.04 7.03 7.27 2j0hE1 ASN 231 HD22 0.02 0.06 0.03 -0.04 7.74 7.81 2j0hE1 CYS 232 H -0.01 0.33 0.10 -0.55 8.50 8.38 2j0hE1 CYS 232 HA 0.04 0.09 0.20 -0.75 4.58 4.15 2j0hE1 CYS 232 HB2 -0.19 -0.00 0.03 -0.04 2.97 2.76 2j0hE1 CYS 232 HB3 -0.77 0.02 -0.14 -0.04 2.97 2.04 2j0hE1 ALA 233 H -0.07 0.11 -0.37 -0.55 8.40 7.52 2j0hE1 ALA 233 HA -0.03 0.06 0.07 -0.75 4.34 3.69 2j0hE1 ALA 233 HB3 0.15 0.07 -0.30 -0.04 1.41 1.29 2j0hE1 VAL 234 H 0.02 0.15 -0.26 -0.55 8.24 7.60 2j0hE1 VAL 234 HA 0.19 0.12 0.62 -0.75 4.13 4.30 2j0hE1 VAL 234 HB 0.01 0.02 0.15 -0.04 2.12 2.27 2j0hE1 VAL 234 HG13 -0.00 0.02 -0.08 -0.04 0.97 0.86 2j0hE1 VAL 234 HG23 0.11 -0.00 0.03 -0.04 0.95 1.06 2j0hE1 MET 235 H -0.11 0.41 -0.16 -0.55 8.47 8.07 2j0hE1 MET 235 HA -0.28 0.05 0.20 -0.75 4.52 3.75 2j0hE1 MET 235 HB2 -0.35 0.03 0.00 -0.04 2.15 1.79 2j0hE1 MET 235 HB3 -0.78 0.01 -0.02 -0.04 2.03 1.20 2j0hE1 MET 235 HG2 -0.17 0.00 -0.03 -0.04 2.63 2.40 2j0hE1 MET 235 HG3 -0.11 0.09 -0.01 -0.04 2.56 2.50 2j0hE1 MET 235 HE3 0.02 -0.05 -0.43 -0.04 2.10 1.60 2j0hE1 PHE 236 H -0.06 0.12 -0.44 -0.55 8.34 7.41 2j0hE1 PHE 236 HA -0.06 0.22 0.75 -0.75 4.62 4.77 2j0hE1 PHE 236 HB2 -0.12 -0.06 -0.07 -0.04 3.15 2.86 2j0hE1 PHE 236 HB3 -0.02 0.16 0.14 -0.04 3.06 3.30 2j0hE1 PHE 236 HD2 -0.12 0.16 -0.14 -0.04 7.28 7.14 2j0hE1 PHE 236 HE2 -0.20 -0.06 -0.14 -0.04 7.38 6.94 2j0hE1 PHE 236 HZ 0.05 -0.03 -0.07 -0.04 7.32 7.23 2j0hE1 GLN 237 H -0.03 0.10 -0.39 -0.55 8.47 7.61 2j0hE1 GLN 237 HA -0.14 0.10 0.41 -0.75 4.36 3.97 2j0hE1 GLN 237 HB2 -0.11 0.08 0.02 -0.04 2.15 2.09 2j0hE1 GLN 237 HB3 -0.38 -0.08 0.13 -0.04 2.02 1.65 2j0hE1 GLN 237 HG2 -0.20 0.19 -0.14 -0.04 2.40 2.20 2j0hE1 GLN 237 HG3 -0.15 -0.00 -0.24 -0.04 2.39 1.96 2j0hE1 GLN 237 HE21 -0.37 -0.06 0.02 -0.04 6.97 6.52 2j0hE1 GLN 237 HE22 -0.70 0.04 0.07 -0.04 7.69 7.06 2j0hE1 GLY 238 H 0.26 0.15 -0.03 -0.55 8.43 8.26 2j0hE1 GLY 238 HA2 0.19 0.42 0.62 -0.51 4.01 4.73 2j0hE1 GLY 238 HA3 0.15 -0.07 0.01 -0.51 4.01 3.59 2j0hE1 ALA 239 H -0.02 0.24 -0.01 -0.55 8.40 8.07 2j0hE1 ALA 239 HA -0.16 0.10 0.38 -0.75 4.34 3.90 2j0hE1 ALA 239 HB3 -0.76 0.04 0.17 -0.04 1.41 0.82 2j0hE1 TRP 240 H -0.97 0.45 0.31 -0.55 7.97 7.21 2j0hE1 TRP 240 HA -1.24 0.12 0.68 -0.75 4.62 3.43 2j0hE1 TRP 240 HB2 -0.89 -0.04 -0.74 -0.04 3.23 1.51 2j0hE1 TRP 240 HB3 -1.82 -0.02 -0.27 -0.04 3.23 1.08 2j0hE1 TRP 240 HD1 -0.12 0.07 -0.33 -0.04 7.22 6.79 2j0hE1 TRP 240 HE1 -0.57 -0.01 0.01 -0.04 10.20 9.58 2j0hE1 TRP 240 HE3 -0.27 0.37 0.17 -0.04 7.59 7.82 2j0hE1 TRP 240 HZ2 0.23 0.04 -0.05 -0.04 7.44 7.63 2j0hE1 TRP 240 HZ3 0.27 0.06 -0.08 -0.04 7.13 7.34 2j0hE1 TRP 240 HH2 0.36 0.04 -0.06 -0.04 7.19 7.49 2j0hE1 TRP 241 H -1.15 0.14 0.07 -0.55 7.97 6.48 2j0hE1 TRP 241 HA -0.04 0.51 0.65 -0.75 4.62 4.99 2j0hE1 TRP 241 HB2 -0.20 -0.11 0.20 -0.04 3.23 3.08 2j0hE1 TRP 241 HB3 0.03 0.16 0.10 -0.04 3.23 3.49 2j0hE1 TRP 241 HD1 0.13 0.27 -0.22 -0.04 7.22 7.37 2j0hE1 TRP 241 HE1 0.16 0.47 0.03 -0.04 10.20 10.82 2j0hE1 TRP 241 HE3 -1.41 -0.04 0.04 -0.04 7.59 6.14 2j0hE1 TRP 241 HZ2 0.11 0.03 -0.08 -0.04 7.44 7.46 2j0hE1 TRP 241 HZ3 -0.70 -0.06 -0.04 -0.04 7.13 6.29 2j0hE1 TRP 241 HH2 0.41 -0.02 -0.08 -0.04 7.19 7.45 2j0hE1 TYR 242 H 0.01 0.45 -0.23 -0.55 8.29 7.97 2j0hE1 TYR 242 HA 0.52 0.07 0.43 -0.75 4.56 4.83 2j0hE1 TYR 242 HB2 0.14 -0.02 -0.01 -0.04 3.06 3.14 2j0hE1 TYR 242 HB3 0.20 -0.07 -0.09 -0.04 2.98 2.98 2j0hE1 TYR 242 HD2 0.18 0.05 -0.17 -0.04 7.15 7.17 2j0hE1 TYR 242 HE2 -0.10 0.05 -0.26 -0.04 6.85 6.49 2j0hE1 LYS 243 H 0.37 0.74 0.25 -0.55 8.42 9.23 2j0hE1 LYS 243 HA 0.12 0.15 0.85 -0.75 4.32 4.68 2j0hE1 LYS 243 HB2 -0.07 0.18 0.01 -0.04 1.87 1.94 2j0hE1 LYS 243 HB3 0.01 -0.09 0.10 -0.04 1.79 1.77 2j0hE1 LYS 243 HG2 -0.16 -0.11 -0.04 -0.04 1.46 1.11 2j0hE1 LYS 243 HG3 -0.05 -0.03 -0.13 -0.04 1.46 1.21 2j0hE1 LYS 243 HD2 -0.19 -0.03 0.00 -0.04 1.69 1.43 2j0hE1 LYS 243 HD3 -0.25 0.13 0.02 -0.04 1.68 1.54 2j0hE1 LYS 243 HE2 -0.79 0.27 0.09 -0.04 2.99 2.51 2j0hE1 LYS 243 HE3 -1.41 -0.13 -0.02 -0.04 2.99 1.39 2j0hE1 ASN 244 H 0.22 0.13 -0.02 -0.55 8.53 8.31 2j0hE1 ASN 244 HA 0.11 0.11 0.72 -0.75 4.76 4.94 2j0hE1 ASN 244 HB2 0.04 0.06 -0.34 -0.04 2.88 2.60 2j0hE1 ASN 244 HB3 0.11 -0.01 0.01 -0.04 2.79 2.86 2j0hE1 ASN 244 HD21 0.04 -0.03 0.07 -0.04 7.03 7.07 2j0hE1 ASN 244 HD22 0.05 -0.01 0.04 -0.04 7.74 7.77 2j0hE1 CYS 245 H 0.01 0.11 0.10 -0.55 8.50 8.18 2j0hE1 CYS 245 HA 0.17 0.07 0.08 -0.75 4.58 4.14 2j0hE1 CYS 245 HB2 -0.17 0.10 0.10 -0.04 2.97 2.96 2j0hE1 CYS 245 HB3 -0.02 0.04 -0.14 -0.04 2.97 2.80 2j0hE1 HIS 246 H -0.22 0.29 0.17 -0.55 8.41 8.10 2j0hE1 HIS 246 HA 0.37 0.17 0.72 -0.75 4.63 5.14 2j0hE1 HIS 246 HB2 0.36 0.11 0.10 -0.04 3.26 3.80 2j0hE1 HIS 246 HB3 0.41 -0.04 -0.40 -0.04 3.20 3.13 2j0hE1 HIS 246 HD2 -0.79 -0.06 -0.15 -0.04 6.97 5.93 2j0hE1 HIS 246 HE1 0.01 -0.06 -0.31 -0.04 7.75 7.34 2j0hE1 THR 247 H 0.73 -0.02 0.20 -0.55 8.28 8.64 2j0hE1 THR 247 HA -0.22 0.18 0.72 -0.75 4.39 4.32 2j0hE1 THR 247 HB -1.08 0.04 -0.22 -0.04 4.32 3.01 2j0hE1 THR 247 HG23 -0.00 -0.02 -0.27 -0.04 1.22 0.89 2j0hE1 SER 248 H 0.21 -0.04 0.22 -0.55 8.46 8.30 2j0hE1 SER 248 HA -0.14 0.19 0.54 -0.75 4.49 4.33 2j0hE1 SER 248 HB2 -0.08 -0.05 0.17 -0.04 3.95 3.95 2j0hE1 SER 248 HB3 -0.70 0.07 0.21 -0.04 3.93 3.47 2j0hE1 ASN 249 H -0.37 0.73 0.18 -0.55 8.53 8.53 2j0hE1 ASN 249 HA -1.37 0.12 0.81 -0.75 4.76 3.56 2j0hE1 ASN 249 HB2 -1.35 -0.04 -0.33 -0.04 2.88 1.11 2j0hE1 ASN 249 HB3 -0.38 0.08 0.13 -0.04 2.79 2.57 2j0hE1 ASN 249 HD21 -0.01 0.54 -0.00 -0.04 7.03 7.52 2j0hE1 ASN 249 HD22 -0.14 0.07 -0.03 -0.04 7.74 7.61 2j0hE1 LEU 250 H -1.56 0.18 -0.01 -0.55 8.37 6.43 2j0hE1 LEU 250 HA -0.16 0.03 0.12 -0.75 4.35 3.59 2j0hE1 LEU 250 HB2 -0.01 -0.00 0.04 -0.04 1.64 1.63 2j0hE1 LEU 250 HB3 0.17 0.05 -0.05 -0.04 1.64 1.77 2j0hE1 LEU 250 HG -0.00 0.01 -0.08 -0.04 1.64 1.52 2j0hE1 LEU 250 HD13 0.02 -0.01 -0.21 -0.04 0.93 0.69 2j0hE1 LEU 250 HD23 0.37 0.01 -0.09 -0.04 0.89 1.13 2j0hE1 ASN 251 H -0.30 0.02 -0.50 -0.55 8.53 7.20 2j0hE1 ASN 251 HA 0.04 0.20 0.86 -0.75 4.76 5.10 2j0hE1 ASN 251 HB2 0.15 0.09 0.15 -0.04 2.88 3.22 2j0hE1 ASN 251 HB3 0.39 0.03 0.18 -0.04 2.79 3.35 2j0hE1 ASN 251 HD21 -0.51 -0.07 -0.04 -0.04 7.03 6.38 2j0hE1 ASN 251 HD22 -0.08 0.29 0.05 -0.04 7.74 7.96 2j0hE1 GLY 252 H -0.12 0.39 -0.25 -0.55 8.43 7.89 2j0hE1 GLY 252 HA2 0.04 0.32 0.53 -0.51 4.01 4.39 2j0hE1 GLY 252 HA3 -0.06 0.17 0.02 -0.51 4.01 3.64 2j0hE1 ARG 253 H -0.04 0.57 0.19 -0.55 8.46 8.62 2j0hE1 ARG 253 HA 0.07 -0.01 0.37 -0.75 4.34 4.01 2j0hE1 ARG 253 HB2 -0.08 0.02 0.05 -0.04 1.90 1.84 2j0hE1 ARG 253 HB3 -0.01 -0.05 -0.00 -0.04 1.80 1.70 2j0hE1 ARG 253 HG2 -0.04 0.13 0.09 -0.04 1.67 1.81 2j0hE1 ARG 253 HG3 -0.11 0.07 0.08 -0.04 1.67 1.66 2j0hE1 ARG 253 HD2 -0.02 -0.08 0.02 -0.04 3.22 3.10 2j0hE1 ARG 253 HD3 -0.20 -0.01 0.02 -0.04 3.22 3.00 2j0hE1 TYR 254 H 0.17 0.14 0.12 -0.55 8.29 8.18 2j0hE1 TYR 254 HA 0.00 0.05 0.49 -0.75 4.56 4.35 2j0hE1 TYR 254 HB2 0.02 -0.01 0.19 -0.04 3.06 3.22 2j0hE1 TYR 254 HB3 0.04 0.08 0.27 -0.04 2.98 3.33 2j0hE1 TYR 254 HD2 0.02 0.04 -0.06 -0.04 7.15 7.10 2j0hE1 TYR 254 HE2 0.10 0.06 -0.19 -0.04 6.85 6.77 2j0hE1 LEU 255 H -0.13 0.21 0.15 -0.55 8.37 8.06 2j0hE1 LEU 255 HA -0.02 0.17 0.30 -0.75 4.35 4.04 2j0hE1 LEU 255 HB2 -0.10 -0.06 -0.08 -0.04 1.64 1.36 2j0hE1 LEU 255 HB3 -0.07 0.02 -0.06 -0.04 1.64 1.49 2j0hE1 LEU 255 HG -0.16 0.15 -0.27 -0.04 1.64 1.32 2j0hE1 LEU 255 HD13 -0.55 -0.02 -0.26 -0.04 0.93 0.05 2j0hE1 LEU 255 HD23 -0.07 0.01 -0.22 -0.04 0.89 0.57 2j0hE1 ARG 256 H -0.25 0.03 -0.25 -0.55 8.46 7.43 2j0hE1 ARG 256 HA -0.18 0.03 0.26 -0.75 4.34 3.69 2j0hE1 ARG 256 HB2 -0.16 0.19 0.03 -0.04 1.90 1.91 2j0hE1 ARG 256 HB3 -0.43 -0.05 0.11 -0.04 1.80 1.39 2j0hE1 ARG 256 HG2 0.24 -0.03 -0.14 -0.04 1.67 1.71 2j0hE1 ARG 256 HG3 0.09 0.08 -0.26 -0.04 1.67 1.54 2j0hE1 ARG 256 HD2 0.00 -0.01 -0.02 -0.04 3.22 3.14 2j0hE1 ARG 256 HD3 -0.00 -0.03 -0.01 -0.04 3.22 3.14 2j0hE1 GLY 257 H -0.23 0.44 0.12 -0.55 8.43 8.22 2j0hE1 GLY 257 HA2 -1.17 -0.07 0.26 -0.51 4.01 2.53 2j0hE1 GLY 257 HA3 -0.46 0.12 0.62 -0.51 4.01 3.79 2j0hE1 THR 258 H -0.14 0.10 0.19 -0.55 8.28 7.89 2j0hE1 THR 258 HA -0.13 0.25 0.70 -0.75 4.39 4.45 2j0hE1 THR 258 HB -0.02 -0.02 0.11 -0.04 4.32 4.35 2j0hE1 THR 258 HG23 -0.01 0.01 -0.04 -0.04 1.22 1.14 2j0hE1 HIS 259 H -0.45 0.73 0.30 -0.55 8.41 8.44 2j0hE1 HIS 259 HA -0.03 0.13 0.78 -0.75 4.63 4.75 2j0hE1 HIS 259 HB2 -0.02 -0.14 -0.03 -0.04 3.26 3.04 2j0hE1 HIS 259 HB3 -0.07 0.12 -0.19 -0.04 3.20 3.03 2j0hE1 HIS 259 HD2 -0.12 0.02 -0.29 -0.04 6.97 6.53 2j0hE1 HIS 259 HE1 0.05 0.09 -0.03 -0.04 7.75 7.82 2j0hE1 GLY 260 H 0.09 0.11 0.11 -0.55 8.43 8.19 2j0hE1 GLY 260 HA2 0.06 0.10 0.52 -0.51 4.01 4.18 2j0hE1 GLY 260 HA3 0.06 -0.01 0.31 -0.51 4.01 3.85 2j0hE1 SER 261 H 0.12 -0.01 -0.04 -0.55 8.46 7.98 2j0hE1 SER 261 HA 0.10 0.04 0.35 -0.75 4.49 4.23 2j0hE1 SER 261 HB2 0.02 0.06 -0.04 -0.04 3.95 3.95 2j0hE1 SER 261 HB3 0.02 0.01 0.05 -0.04 3.93 3.97 2j0hE1 PHE 262 H 0.21 0.11 0.12 -0.55 8.34 8.24 2j0hE1 PHE 262 HA 0.14 0.19 0.55 -0.75 4.62 4.75 2j0hE1 PHE 262 HB2 0.03 0.02 0.09 -0.04 3.15 3.25 2j0hE1 PHE 262 HB3 0.03 -0.00 0.16 -0.04 3.06 3.21 2j0hE1 PHE 262 HD2 0.09 0.03 -0.03 -0.04 7.28 7.33 2j0hE1 PHE 262 HE2 -0.10 -0.04 -0.03 -0.04 7.38 7.17 2j0hE1 PHE 262 HZ -0.54 -0.02 -0.02 -0.04 7.32 6.70 2j0hE1 ALA 263 H 0.10 0.64 0.30 -0.55 8.40 8.90 2j0hE1 ALA 263 HA 0.13 0.03 0.34 -0.75 4.34 4.09 2j0hE1 ALA 263 HB3 -0.79 -0.01 -0.07 -0.04 1.41 0.50 2j0hE1 ASN 264 H 0.02 0.08 -0.50 -0.55 8.53 7.58 2j0hE1 ASN 264 HA 0.09 0.38 1.02 -0.75 4.76 5.50 2j0hE1 ASN 264 HB2 -0.07 -0.02 -0.08 -0.04 2.88 2.68 2j0hE1 ASN 264 HB3 -0.01 0.15 -0.07 -0.04 2.79 2.82 2j0hE1 ASN 264 HD21 -0.11 -0.07 -0.11 -0.04 7.03 6.70 2j0hE1 ASN 264 HD22 -0.12 0.03 -0.09 -0.04 7.74 7.52 2j0hE1 GLY 265 H -0.03 0.00 -0.27 -0.55 8.43 7.59 2j0hE1 GLY 265 HA2 -0.16 0.36 0.76 -0.51 4.01 4.45 2j0hE1 GLY 265 HA3 -0.13 -0.03 0.11 -0.51 4.01 3.45 2j0hE1 ILE 266 H -0.04 0.13 -0.02 -0.55 8.25 7.77 2j0hE1 ILE 266 HA -0.06 0.20 0.50 -0.75 4.18 4.06 2j0hE1 ILE 266 HB -0.00 -0.13 0.11 -0.04 1.89 1.83 2j0hE1 ILE 266 HG12 -0.06 0.16 -0.25 -0.04 1.49 1.29 2j0hE1 ILE 266 HG13 -0.07 0.04 -0.25 -0.04 1.21 0.89 2j0hE1 ILE 266 HG23 0.00 -0.00 -0.13 -0.04 0.93 0.75 2j0hE1 ILE 266 HD13 -0.03 0.01 -0.14 -0.04 0.88 0.68 2j0hE1 ASN 267 H -0.04 0.35 -0.09 -0.55 8.53 8.21 2j0hE1 ASN 267 HA 0.24 0.31 0.73 -0.75 4.76 5.29 2j0hE1 ASN 267 HB2 0.13 -0.05 -0.18 -0.04 2.88 2.75 2j0hE1 ASN 267 HB3 0.15 0.11 -0.20 -0.04 2.79 2.80 2j0hE1 ASN 267 HD21 0.50 -0.11 -0.55 -0.04 7.03 6.82 2j0hE1 ASN 267 HD22 0.20 0.38 -0.83 -0.04 7.74 7.45 2j0hE1 TRP 268 H 0.39 0.33 0.06 -0.55 7.97 8.20 2j0hE1 TRP 268 HA -0.02 0.14 0.85 -0.75 4.62 4.84 2j0hE1 TRP 268 HB2 0.01 0.04 -0.10 -0.04 3.23 3.13 2j0hE1 TRP 268 HB3 0.19 -0.10 0.20 -0.04 3.23 3.48 2j0hE1 TRP 268 HD1 0.03 -0.04 -0.09 -0.04 7.22 7.08 2j0hE1 TRP 268 HE1 0.06 0.54 -0.39 -0.04 10.20 10.36 2j0hE1 TRP 268 HE3 -0.01 -0.03 -0.02 -0.04 7.59 7.49 2j0hE1 TRP 268 HZ2 0.29 0.03 -0.05 -0.04 7.44 7.67 2j0hE1 TRP 268 HZ3 0.24 0.00 -0.08 -0.04 7.13 7.24 2j0hE1 TRP 268 HH2 0.27 0.00 -0.16 -0.04 7.19 7.26 2j0hE1 LYS 269 H -0.35 0.81 0.27 -0.55 8.42 8.60 2j0hE1 LYS 269 HA -0.40 -0.08 0.07 -0.75 4.32 3.15 2j0hE1 LYS 269 HB2 -0.70 0.04 0.14 -0.04 1.87 1.31 2j0hE1 LYS 269 HB3 -0.41 -0.01 0.19 -0.04 1.79 1.51 2j0hE1 LYS 269 HG2 -0.38 0.03 -0.12 -0.04 1.46 0.95 2j0hE1 LYS 269 HG3 -1.21 -0.05 0.02 -0.04 1.46 0.17 2j0hE1 LYS 269 HD2 -0.29 0.01 0.03 -0.04 1.69 1.39 2j0hE1 LYS 269 HD3 -0.25 0.01 -0.04 -0.04 1.68 1.36 2j0hE1 LYS 269 HE2 -0.11 0.00 -0.04 -0.04 2.99 2.80 2j0hE1 LYS 269 HE3 0.06 -0.00 -0.00 -0.04 2.99 3.01 2j0hE1 SER 270 H -0.29 0.08 -0.09 -0.55 8.46 7.61 2j0hE1 SER 270 HA -0.05 0.09 0.46 -0.75 4.49 4.24 2j0hE1 SER 270 HB2 -0.01 -0.02 0.09 -0.04 3.95 3.96 2j0hE1 SER 270 HB3 -0.13 -0.01 0.02 -0.04 3.93 3.78 2j0hE1 GLY 271 H 0.39 0.04 -0.56 -0.55 8.43 7.75 2j0hE1 GLY 271 HA2 0.22 0.17 0.63 -0.51 4.01 4.53 2j0hE1 GLY 271 HA3 0.43 -0.15 0.38 -0.51 4.01 4.17 2j0hE1 LYS 272 H 0.21 0.08 0.14 -0.55 8.42 8.30 2j0hE1 LYS 272 HA -0.10 0.21 0.75 -0.75 4.32 4.43 2j0hE1 LYS 272 HB2 -0.36 -0.01 0.03 -0.04 1.87 1.50 2j0hE1 LYS 272 HB3 -0.35 -0.03 0.06 -0.04 1.79 1.43 2j0hE1 LYS 272 HG2 -0.22 0.08 -0.15 -0.04 1.46 1.13 2j0hE1 LYS 272 HG3 -0.56 -0.07 -0.08 -0.04 1.46 0.71 2j0hE1 LYS 272 HD2 -0.80 -0.10 -0.03 -0.04 1.69 0.71 2j0hE1 LYS 272 HD3 -1.29 -0.01 -0.02 -0.04 1.68 0.32 2j0hE1 LYS 272 HE2 -0.22 0.04 -0.03 -0.04 2.99 2.73 2j0hE1 LYS 272 HE3 -0.34 -0.03 -0.01 -0.04 2.99 2.57 2j0hE1 GLY 273 H 0.04 0.27 -0.10 -0.55 8.43 8.10 2j0hE1 GLY 273 HA2 -0.18 0.22 0.33 -0.51 4.01 3.86 2j0hE1 GLY 273 HA3 -0.05 0.08 0.27 -0.51 4.01 3.80 2j0hE1 TYR 274 H 0.02 0.21 0.13 -0.55 8.29 8.10 2j0hE1 TYR 274 HA -0.00 0.08 0.27 -0.75 4.56 4.15 2j0hE1 TYR 274 HB2 0.11 0.05 0.10 -0.04 3.06 3.28 2j0hE1 TYR 274 HB3 -0.10 -0.04 0.14 -0.04 2.98 2.95 2j0hE1 TYR 274 HD2 -0.05 0.01 -0.02 -0.04 7.15 7.05 2j0hE1 TYR 274 HE2 -0.41 0.00 -0.08 -0.04 6.85 6.32 2j0hE1 ASN 275 H 0.04 0.14 -0.40 -0.55 8.53 7.76 2j0hE1 ASN 275 HA -0.34 0.27 0.93 -0.75 4.76 4.86 2j0hE1 ASN 275 HB2 0.00 -0.06 0.02 -0.04 2.88 2.80 2j0hE1 ASN 275 HB3 -0.11 0.11 0.24 -0.04 2.79 2.99 2j0hE1 ASN 275 HD21 0.26 0.00 -0.10 -0.04 7.03 7.16 2j0hE1 ASN 275 HD22 0.15 -0.08 -0.09 -0.04 7.74 7.68 2j0hE1 TYR 276 H -0.01 0.25 -0.22 -0.55 8.29 7.76 2j0hE1 TYR 276 HA -0.24 0.34 0.69 -0.75 4.56 4.59 2j0hE1 TYR 276 HB2 -0.15 0.05 -0.17 -0.04 3.06 2.75 2j0hE1 TYR 276 HB3 -0.20 -0.02 -0.09 -0.04 2.98 2.62 2j0hE1 TYR 276 HD2 -0.33 0.02 -0.28 -0.04 7.15 6.51 2j0hE1 TYR 276 HE2 -0.14 -0.05 -0.06 -0.04 6.85 6.55 2j0hE1 SER 277 H -0.48 0.72 0.10 -0.55 8.46 8.25 2j0hE1 SER 277 HA 0.04 0.36 0.76 -0.75 4.49 4.90 2j0hE1 SER 277 HB2 0.11 0.02 -0.10 -0.04 3.95 3.94 2j0hE1 SER 277 HB3 -0.06 -0.00 0.03 -0.04 3.93 3.85 2j0hE1 TYR 278 H 0.22 0.45 0.15 -0.55 8.29 8.57 2j0hE1 TYR 278 HA 0.03 -0.08 0.21 -0.75 4.56 3.97 2j0hE1 TYR 278 HB2 -0.10 -0.01 -0.02 -0.04 3.06 2.89 2j0hE1 TYR 278 HB3 -0.15 0.15 0.12 -0.04 2.98 3.07 2j0hE1 TYR 278 HD2 -0.02 0.16 -0.22 -0.04 7.15 7.03 2j0hE1 TYR 278 HE2 0.04 -0.07 -0.08 -0.04 6.85 6.70 2j0hE1 LYS 279 H -0.31 0.40 0.39 -0.55 8.42 8.35 2j0hE1 LYS 279 HA -0.62 0.09 0.73 -0.75 4.32 3.77 2j0hE1 LYS 279 HB2 -2.40 -0.12 -0.11 -0.04 1.87 -0.80 2j0hE1 LYS 279 HB3 -0.59 0.11 -0.06 -0.04 1.79 1.21 2j0hE1 LYS 279 HG2 -0.18 0.05 -0.17 -0.04 1.46 1.12 2j0hE1 LYS 279 HG3 -0.24 -0.01 0.05 -0.04 1.46 1.22 2j0hE1 LYS 279 HD2 0.02 0.00 0.02 -0.04 1.69 1.69 2j0hE1 LYS 279 HD3 -0.30 -0.05 0.01 -0.04 1.68 1.30 2j0hE1 LYS 279 HE2 -0.18 -0.01 -0.08 -0.04 2.99 2.69 2j0hE1 LYS 279 HE3 -0.04 -0.01 -0.02 -0.04 2.99 2.89 2j0hE1 VAL 280 H -0.15 0.39 0.29 -0.55 8.24 8.22 2j0hE1 VAL 280 HA -0.04 0.38 0.96 -0.75 4.13 4.67 2j0hE1 VAL 280 HB -0.19 -0.13 0.09 -0.04 2.12 1.85 2j0hE1 VAL 280 HG13 -0.13 0.02 -0.15 -0.04 0.97 0.67 2j0hE1 VAL 280 HG23 -0.09 0.01 -0.07 -0.04 0.95 0.75 2j0hE1 SER 281 H -0.10 0.54 0.33 -0.55 8.46 8.68 2j0hE1 SER 281 HA -0.25 0.25 0.73 -0.75 4.49 4.47 2j0hE1 SER 281 HB2 -0.23 -0.00 0.09 -0.04 3.95 3.76 2j0hE1 SER 281 HB3 -0.13 -0.02 -0.16 -0.04 3.93 3.58 2j0hE1 GLU 282 H -0.25 0.56 0.32 -0.55 8.60 8.68 2j0hE1 GLU 282 HA -0.24 0.33 0.86 -0.75 4.29 4.49 2j0hE1 GLU 282 HB2 -0.23 -0.11 0.09 -0.04 2.09 1.80 2j0hE1 GLU 282 HB3 -0.24 0.04 0.09 -0.04 1.99 1.84 2j0hE1 GLU 282 HG2 -0.17 0.11 0.10 -0.04 2.34 2.34 2j0hE1 GLU 282 HG3 -0.16 -0.10 -0.40 -0.04 2.34 1.64 2j0hE1 MET 283 H -0.43 0.43 0.30 -0.55 8.47 8.22 2j0hE1 MET 283 HA -0.35 0.28 1.12 -0.75 4.52 4.81 2j0hE1 MET 283 HB2 -1.23 -0.08 0.14 -0.04 2.15 0.94 2j0hE1 MET 283 HB3 -0.46 0.07 0.05 -0.04 2.03 1.64 2j0hE1 MET 283 HG2 -0.04 0.06 -0.16 -0.04 2.63 2.45 2j0hE1 MET 283 HG3 -0.11 -0.06 -0.25 -0.04 2.56 2.09 2j0hE1 MET 283 HE3 0.45 0.01 -0.07 -0.04 2.10 2.45 2j0hE1 LYS 284 H -0.30 0.62 0.37 -0.55 8.42 8.55 2j0hE1 LYS 284 HA -0.06 0.16 1.17 -0.75 4.32 4.83 2j0hE1 LYS 284 HB2 0.14 0.04 -0.18 -0.04 1.87 1.84 2j0hE1 LYS 284 HB3 -0.16 -0.07 -0.25 -0.04 1.79 1.27 2j0hE1 LYS 284 HG2 -0.46 0.12 0.03 -0.04 1.46 1.11 2j0hE1 LYS 284 HG3 -0.82 -0.01 -0.12 -0.04 1.46 0.48 2j0hE1 LYS 284 HD2 -0.91 -0.03 -0.15 -0.04 1.69 0.56 2j0hE1 LYS 284 HD3 -0.47 0.00 -0.14 -0.04 1.68 1.04 2j0hE1 LYS 284 HE2 -0.22 0.03 -0.17 -0.04 2.99 2.58 2j0hE1 LYS 284 HE3 -0.33 -0.01 -0.23 -0.04 2.99 2.37 2j0hE1 VAL 285 H 0.28 0.64 0.42 -0.55 8.24 9.03 2j0hE1 VAL 285 HA 0.41 0.39 1.29 -0.75 4.13 5.47 2j0hE1 VAL 285 HB 0.18 0.06 -0.02 -0.04 2.12 2.30 2j0hE1 VAL 285 HG13 0.24 -0.01 -0.18 -0.04 0.97 0.97 2j0hE1 VAL 285 HG23 0.16 -0.01 0.01 -0.04 0.95 1.07 2j0hE1 ARG 286 H 0.15 0.60 0.23 -0.55 8.46 8.89 2j0hE1 ARG 286 HA -0.16 0.09 0.63 -0.75 4.34 4.15 2j0hE1 ARG 286 HB2 -1.10 -0.01 -0.21 -0.04 1.90 0.54 2j0hE1 ARG 286 HB3 -1.17 -0.07 -0.07 -0.04 1.80 0.45 2j0hE1 ARG 286 HG2 -0.41 0.14 -0.07 -0.04 1.67 1.29 2j0hE1 ARG 286 HG3 -0.43 0.01 0.12 -0.04 1.67 1.34 2j0hE1 ARG 286 HD2 -0.50 0.01 -0.03 -0.04 3.22 2.67 2j0hE1 ARG 286 HD3 -1.18 0.00 -0.27 -0.04 3.22 1.73 2j0hE1 PRO 287 HA -0.04 0.10 0.67 -0.51 4.44 4.66 2j0hE1 PRO 287 HB2 -0.10 -0.01 0.09 -0.04 2.28 2.21 2j0hE1 PRO 287 HB3 -0.06 0.13 0.11 -0.04 2.02 2.16 2j0hE1 PRO 287 HG2 -0.08 -0.03 0.13 -0.04 2.03 2.00 2j0hE1 PRO 287 HG3 -0.06 0.15 0.15 -0.04 2.03 2.24 2j0hE1 PRO 287 HD2 -0.16 0.09 0.29 -0.04 3.68 3.86 2j0hE1 PRO 287 HD3 -0.08 0.12 0.17 -0.04 3.65 3.83 2j0hE1 ALA 288 H -0.02 0.13 -0.05 -0.55 8.40 7.92 2j0hE1 ALA 288 HA -0.04 0.22 0.50 -0.75 4.34 4.26 2j0hE1 ALA 288 HB3 0.00 0.00 0.10 -0.04 1.41 1.48