============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 4 0.840 91.679 71.465 39.480 -99.200 -91.000 PHE 34 1.000 92.501 86.128 53.984 -99.200 -91.000 HIS 42 0.900 87.543 71.840 57.015 -99.200 -91.000 PHE 43 1.000 94.276 69.842 63.101 -99.200 -91.000 HIS 45 0.900 85.477 74.053 64.678 -99.200 -91.000 HIS 54 0.900 76.999 47.484 65.170 -99.200 -91.000 HIS 61 0.900 80.647 53.400 46.952 -99.200 -91.000 TYR 63 0.840 77.848 44.068 40.330 -99.200 -91.000 PHE 64 1.000 70.417 41.857 45.081 -99.200 -91.000 TYR 67 0.840 71.321 33.790 42.375 -99.200 -91.000 PHE 78 1.000 65.732 44.682 46.885 -99.200 -91.000 PHE 89 1.000 79.557 52.861 51.285 -99.200 -91.000 PHE 92 1.000 81.419 43.487 55.062 -99.200 -91.000 PHE 111 1.000 77.245 41.236 55.194 -99.200 -91.000 PHE 115 1.000 70.285 45.339 49.206 -99.200 -91.000 TYR 116 0.840 73.197 53.670 47.392 -99.200 -91.000 PHE 122 1.000 65.686 46.220 52.150 -99.200 -91.000 PHE 132 1.000 71.800 42.519 69.681 -99.200 -91.000 PHE 133 1.000 75.324 39.551 72.690 -99.200 -91.000 HIS 138 0.900 62.671 50.496 78.535 -99.200 -91.000 PHE 140 1.000 71.397 48.279 71.294 -99.200 -91.000 PHE 143 1.000 74.518 43.225 75.060 -99.200 -91.000 HIS 145 0.900 74.922 52.857 79.235 -99.200 -91.000 HIS 152 0.900 85.287 51.754 87.070 -99.200 -91.000 TRP 153 1.040 88.330 50.863 84.686 -99.200 -91.000 TRP6 153 1.020 90.085 49.609 85.607 -99.200 -91.000 HIS 162 0.900 83.541 44.886 80.640 -99.200 -91.000 PHE 165 1.000 79.306 40.111 77.736 -99.200 -91.000 TRP 166 1.040 81.750 37.684 80.899 -99.200 -91.000 TRP6 166 1.020 80.711 35.973 79.673 -99.200 -91.000 TYR 168 0.840 72.116 43.048 80.380 -99.200 -91.000 HIS 177 0.900 70.736 31.076 69.950 -99.200 -91.000 TRP 181 1.040 75.187 31.383 67.561 -99.200 -91.000 TRP6 181 1.020 75.486 30.825 65.274 -99.200 -91.000 TYR 192 0.840 85.178 43.072 58.462 -99.200 -91.000 PHE 198 1.000 73.466 34.548 60.174 -99.200 -91.000 HIS 201 0.900 65.178 42.475 64.445 -99.200 -91.000 PHE 203 1.000 63.343 42.930 58.830 -99.200 -91.000 PHE 214 1.000 54.884 36.078 59.662 -99.200 -91.000 PHE 217 1.000 65.223 40.423 54.691 -99.200 -91.000 HIS 218 0.900 69.734 32.963 56.984 -99.200 -91.000 TRP 219 1.040 73.698 40.135 53.298 -99.200 -91.000 TRP6 219 1.020 73.296 40.486 50.999 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ye9I1 SER 75 HA -0.02 -0.04 0.14 -0.75 4.49 3.81 1ye9I1 SER 75 HB2 -0.01 -0.01 0.06 -0.04 3.95 3.95 1ye9I1 SER 75 HB3 0.00 -0.01 0.03 -0.04 3.93 3.92 1ye9I1 GLU 76 H -0.04 0.35 0.04 -0.55 8.60 8.42 1ye9I1 GLU 76 HA -0.13 0.08 0.70 -0.75 4.29 4.19 1ye9I1 GLU 76 HB2 -0.09 0.05 -0.02 -0.04 2.09 2.00 1ye9I1 GLU 76 HB3 -0.03 -0.02 -0.03 -0.04 1.99 1.86 1ye9I1 GLU 76 HG2 -0.12 -0.02 -0.07 -0.04 2.34 2.09 1ye9I1 GLU 76 HG3 -0.73 -0.03 -0.25 -0.04 2.34 1.29 1ye9I1 ASN 77 H -0.19 0.13 0.07 -0.55 8.53 7.98 1ye9I1 ASN 77 HA -0.11 0.10 0.55 -0.75 4.76 4.54 1ye9I1 ASN 77 HB2 -0.10 -0.02 0.13 -0.04 2.88 2.84 1ye9I1 ASN 77 HB3 -0.06 0.03 -0.01 -0.04 2.79 2.70 1ye9I1 ASN 77 HD21 -0.04 0.02 -0.04 -0.04 7.03 6.93 1ye9I1 ASN 77 HD22 -0.04 -0.02 -0.01 -0.04 7.74 7.63 1ye9I1 TYR 78 H 0.04 0.22 0.23 -0.55 8.29 8.23 1ye9I1 TYR 78 HA -0.00 0.18 1.00 -0.75 4.56 4.99 1ye9I1 TYR 78 HB2 -0.01 0.01 0.00 -0.04 3.06 3.02 1ye9I1 TYR 78 HB3 -0.00 0.05 0.01 -0.04 2.98 2.99 1ye9I1 TYR 78 HD2 -0.01 -0.00 0.01 -0.04 7.15 7.11 1ye9I1 TYR 78 HE2 -0.01 -0.01 -0.05 -0.04 6.85 6.74 1ye9I1 ALA 79 H 0.17 0.12 0.11 -0.55 8.40 8.26 1ye9I1 ALA 79 HA 0.05 0.06 0.48 -0.75 4.34 4.17 1ye9I1 ALA 79 HB3 0.05 0.01 0.03 -0.04 1.41 1.45 1ye9I1 LEU 80 H 0.03 0.12 0.19 -0.55 8.37 8.16 1ye9I1 LEU 80 HA 0.01 0.11 0.58 -0.75 4.35 4.30 1ye9I1 LEU 80 HB2 0.01 0.05 0.13 -0.04 1.64 1.79 1ye9I1 LEU 80 HB3 0.00 -0.02 0.20 -0.04 1.64 1.78 1ye9I1 LEU 80 HG -0.01 -0.06 -0.20 -0.04 1.64 1.33 1ye9I1 LEU 80 HD13 -0.01 0.00 0.04 -0.04 0.93 0.92 1ye9I1 LEU 80 HD23 -0.01 -0.00 -0.01 -0.04 0.89 0.82 1ye9I1 THR 81 H -0.01 0.22 0.18 -0.55 8.28 8.13 1ye9I1 THR 81 HA 0.01 0.25 1.00 -0.75 4.39 4.89 1ye9I1 THR 81 HB 0.01 -0.35 0.02 -0.04 4.32 3.96 1ye9I1 THR 81 HG23 0.01 0.06 -0.47 -0.04 1.22 0.78 1ye9I1 THR 82 H 0.03 0.35 0.25 -0.55 8.28 8.36 1ye9I1 THR 82 HA 0.02 0.17 0.69 -0.75 4.39 4.52 1ye9I1 THR 82 HB 0.10 0.03 0.17 -0.04 4.32 4.58 1ye9I1 THR 82 HG23 0.13 0.08 0.06 -0.04 1.22 1.44 1ye9I1 ASN 83 H 0.02 0.19 0.12 -0.55 8.53 8.32 1ye9I1 ASN 83 HA -0.01 0.17 0.59 -0.75 4.76 4.75 1ye9I1 ASN 83 HB2 0.03 0.01 0.03 -0.04 2.88 2.91 1ye9I1 ASN 83 HB3 -0.01 0.06 0.13 -0.04 2.79 2.93 1ye9I1 ASN 83 HD21 -0.00 0.09 0.01 -0.04 7.03 7.08 1ye9I1 ASN 83 HD22 0.06 -0.02 0.03 -0.04 7.74 7.77 1ye9I1 GLN 84 H 0.05 -0.02 -0.30 -0.55 8.47 7.65 1ye9I1 GLN 84 HA 0.01 0.27 0.84 -0.75 4.36 4.73 1ye9I1 GLN 84 HB2 0.04 -0.06 -0.03 -0.04 2.15 2.06 1ye9I1 GLN 84 HB3 0.00 0.06 0.12 -0.04 2.02 2.16 1ye9I1 GLN 84 HG2 0.05 -0.10 -0.05 -0.04 2.40 2.26 1ye9I1 GLN 84 HG3 0.01 0.01 -0.01 -0.04 2.39 2.35 1ye9I1 GLN 84 HE21 0.01 0.05 -0.07 -0.04 6.97 6.92 1ye9I1 GLN 84 HE22 0.03 -0.06 -0.11 -0.04 7.69 7.51 1ye9I1 GLY 85 H 0.01 0.29 -0.63 -0.55 8.43 7.55 1ye9I1 GLY 85 HA2 -0.01 0.07 0.22 -0.51 4.01 3.78 1ye9I1 GLY 85 HA3 -0.00 0.08 0.39 -0.51 4.01 3.97 1ye9I1 VAL 86 H 0.04 0.04 0.00 -0.55 8.24 7.77 1ye9I1 VAL 86 HA 0.04 0.23 0.89 -0.75 4.13 4.53 1ye9I1 VAL 86 HB 0.12 -0.17 -0.02 -0.04 2.12 2.00 1ye9I1 VAL 86 HG13 0.15 -0.00 -0.24 -0.04 0.97 0.83 1ye9I1 VAL 86 HG23 0.05 0.05 -0.18 -0.04 0.95 0.84 1ye9I1 ARG 87 H 0.03 0.14 0.10 -0.55 8.46 8.18 1ye9I1 ARG 87 HA 0.02 0.19 0.18 -0.75 4.34 3.97 1ye9I1 ARG 87 HB2 0.02 -0.05 0.09 -0.04 1.90 1.92 1ye9I1 ARG 87 HB3 0.02 0.10 -0.02 -0.04 1.80 1.85 1ye9I1 ARG 87 HG2 0.02 -0.00 -0.05 -0.04 1.67 1.60 1ye9I1 ARG 87 HG3 0.02 -0.02 -0.10 -0.04 1.67 1.53 1ye9I1 ARG 87 HD2 0.02 -0.00 0.02 -0.04 3.22 3.22 1ye9I1 ARG 87 HD3 0.02 -0.00 -0.00 -0.04 3.22 3.20 1ye9I1 ILE 88 H 0.01 0.71 0.35 -0.55 8.25 8.77 1ye9I1 ILE 88 HA -0.02 0.04 0.79 -0.75 4.18 4.25 1ye9I1 ILE 88 HB -0.01 0.08 -0.03 -0.04 1.89 1.88 1ye9I1 ILE 88 HG12 -0.06 -0.06 -0.07 -0.04 1.49 1.26 1ye9I1 ILE 88 HG13 -0.02 0.06 -0.19 -0.04 1.21 1.02 1ye9I1 ILE 88 HG23 -0.03 -0.03 -0.36 -0.04 0.93 0.47 1ye9I1 ILE 88 HD13 -0.02 -0.02 -0.34 -0.04 0.88 0.45 1ye9I1 ALA 89 H -0.02 0.06 0.14 -0.55 8.40 8.03 1ye9I1 ALA 89 HA -0.00 0.25 0.92 -0.75 4.34 4.75 1ye9I1 ALA 89 HB3 -0.00 0.01 0.03 -0.04 1.41 1.40 1ye9I1 ASP 90 H -0.03 0.11 0.09 -0.55 8.40 8.01 1ye9I1 ASP 90 HA -0.02 0.21 0.72 -0.75 4.63 4.78 1ye9I1 ASP 90 HB2 -0.02 0.08 -0.04 -0.04 2.71 2.69 1ye9I1 ASP 90 HB3 -0.03 -0.00 0.16 -0.04 2.70 2.79 1ye9I1 ASP 91 H -0.02 0.27 -0.10 -0.55 8.40 8.01 1ye9I1 ASP 91 HA -0.04 0.19 0.78 -0.75 4.63 4.81 1ye9I1 ASP 91 HB2 -0.03 -0.02 -0.08 -0.04 2.71 2.54 1ye9I1 ASP 91 HB3 -0.02 0.05 0.07 -0.04 2.70 2.76 1ye9I1 GLN 92 H -0.03 -0.05 -0.26 -0.55 8.47 7.59 1ye9I1 GLN 92 HA -0.03 0.27 0.74 -0.75 4.36 4.59 1ye9I1 GLN 92 HB2 -0.02 0.00 -0.09 -0.04 2.15 2.00 1ye9I1 GLN 92 HB3 -0.02 0.05 0.12 -0.04 2.02 2.13 1ye9I1 GLN 92 HG2 -0.02 -0.20 -0.21 -0.04 2.40 1.94 1ye9I1 GLN 92 HG3 -0.02 0.03 -0.05 -0.04 2.39 2.31 1ye9I1 GLN 92 HE21 -0.02 0.06 -0.09 -0.04 6.97 6.88 1ye9I1 GLN 92 HE22 -0.02 -0.21 -0.25 -0.04 7.69 7.17 1ye9I1 ASN 93 H -0.03 0.01 -0.01 -0.55 8.53 7.96 1ye9I1 ASN 93 HA -0.03 0.24 0.81 -0.75 4.76 5.04 1ye9I1 ASN 93 HB2 -0.02 -0.07 -0.03 -0.04 2.88 2.71 1ye9I1 ASN 93 HB3 -0.02 0.14 0.08 -0.04 2.79 2.94 1ye9I1 ASN 93 HD21 -0.02 0.04 -0.11 -0.04 7.03 6.91 1ye9I1 ASN 93 HD22 -0.02 -0.06 -0.09 -0.04 7.74 7.53 1ye9I1 SER 94 H -0.02 0.18 0.10 -0.55 8.46 8.18 1ye9I1 SER 94 HA -0.04 0.08 0.83 -0.75 4.49 4.60 1ye9I1 SER 94 HB2 -0.02 0.07 -0.14 -0.04 3.95 3.82 1ye9I1 SER 94 HB3 -0.02 -0.01 0.10 -0.04 3.93 3.95 1ye9I1 LEU 95 H -0.04 0.05 0.17 -0.55 8.37 8.00 1ye9I1 LEU 95 HA -0.02 0.11 0.65 -0.75 4.35 4.34 1ye9I1 LEU 95 HB2 -0.04 -0.00 0.16 -0.04 1.64 1.71 1ye9I1 LEU 95 HB3 -0.02 -0.08 0.23 -0.04 1.64 1.73 1ye9I1 LEU 95 HG -0.00 0.03 -0.30 -0.04 1.64 1.33 1ye9I1 LEU 95 HD13 -0.01 0.01 0.04 -0.04 0.93 0.93 1ye9I1 LEU 95 HD23 0.01 -0.02 -0.07 -0.04 0.89 0.76 1ye9I1 ARG 96 H -0.01 0.21 0.15 -0.55 8.46 8.25 1ye9I1 ARG 96 HA -0.00 0.12 0.86 -0.75 4.34 4.56 1ye9I1 ARG 96 HB2 -0.00 0.13 -0.38 -0.04 1.90 1.60 1ye9I1 ARG 96 HB3 -0.01 -0.06 -0.35 -0.04 1.80 1.34 1ye9I1 ARG 96 HG2 -0.01 0.07 -0.10 -0.04 1.67 1.59 1ye9I1 ARG 96 HG3 -0.01 -0.14 -0.26 -0.04 1.67 1.23 1ye9I1 ARG 96 HD2 -0.01 -0.02 -0.26 -0.04 3.22 2.90 1ye9I1 ARG 96 HD3 -0.01 0.09 -0.15 -0.04 3.22 3.11 1ye9I1 ALA 97 H 0.00 0.53 0.04 -0.55 8.40 8.43 1ye9I1 ALA 97 HA 0.00 0.04 0.77 -0.75 4.34 4.40 1ye9I1 ALA 97 HB3 0.00 -0.00 0.13 -0.04 1.41 1.50 1ye9I1 GLY 98 H 0.00 0.18 0.04 -0.55 8.43 8.10 1ye9I1 GLY 98 HA2 -0.00 -0.00 0.40 -0.51 4.01 3.89 1ye9I1 GLY 98 HA3 -0.00 0.15 0.66 -0.51 4.01 4.31 1ye9I1 SER 99 H -0.00 0.14 0.10 -0.55 8.46 8.15 1ye9I1 SER 99 HA -0.01 0.08 0.29 -0.75 4.49 4.10 1ye9I1 SER 99 HB2 -0.01 0.06 0.09 -0.04 3.95 4.05 1ye9I1 SER 99 HB3 -0.00 -0.01 0.13 -0.04 3.93 4.00 1ye9I1 ARG 100 H -0.00 -0.01 -0.64 -0.55 8.46 7.25 1ye9I1 ARG 100 HA -0.00 0.22 0.86 -0.75 4.34 4.66 1ye9I1 ARG 100 HB2 -0.00 -0.11 -0.04 -0.04 1.90 1.71 1ye9I1 ARG 100 HB3 -0.00 0.02 0.04 -0.04 1.80 1.81 1ye9I1 ARG 100 HG2 -0.00 0.04 0.09 -0.04 1.67 1.76 1ye9I1 ARG 100 HG3 -0.00 -0.00 -0.05 -0.04 1.67 1.57 1ye9I1 ARG 100 HD2 -0.00 -0.03 -0.02 -0.04 3.22 3.13 1ye9I1 ARG 100 HD3 -0.00 -0.00 0.01 -0.04 3.22 3.19 1ye9I1 GLY 101 H -0.00 0.64 -0.24 -0.55 8.43 8.28 1ye9I1 GLY 101 HA2 0.00 0.07 0.66 -0.51 4.01 4.23 1ye9I1 GLY 101 HA3 0.00 0.41 0.38 -0.51 4.01 4.29 1ye9I1 PRO 102 HA 0.00 0.09 0.38 -0.51 4.44 4.41 1ye9I1 PRO 102 HB2 0.00 0.09 -0.01 -0.04 2.28 2.32 1ye9I1 PRO 102 HB3 0.00 0.04 0.11 -0.04 2.02 2.14 1ye9I1 PRO 102 HG2 0.00 -0.06 0.05 -0.04 2.03 1.98 1ye9I1 PRO 102 HG3 0.00 0.05 0.09 -0.04 2.03 2.13 1ye9I1 PRO 102 HD2 0.00 0.16 0.30 -0.04 3.68 4.10 1ye9I1 PRO 102 HD3 0.00 0.16 0.24 -0.04 3.65 4.01 1ye9I1 THR 103 H 0.00 0.12 0.16 -0.55 8.28 8.01 1ye9I1 THR 103 HA -0.00 0.15 0.58 -0.75 4.39 4.37 1ye9I1 THR 103 HB 0.00 -0.03 0.06 -0.04 4.32 4.32 1ye9I1 THR 103 HG23 -0.00 0.02 -0.04 -0.04 1.22 1.16 1ye9I1 LEU 104 H 0.00 0.56 0.34 -0.55 8.37 8.72 1ye9I1 LEU 104 HA 0.01 0.12 0.57 -0.75 4.35 4.30 1ye9I1 LEU 104 HB2 0.01 -0.02 0.06 -0.04 1.64 1.65 1ye9I1 LEU 104 HB3 0.02 -0.14 0.01 -0.04 1.64 1.48 1ye9I1 LEU 104 HG 0.01 0.05 -0.19 -0.04 1.64 1.46 1ye9I1 LEU 104 HD13 0.01 -0.00 -0.11 -0.04 0.93 0.79 1ye9I1 LEU 104 HD23 0.01 0.01 -0.17 -0.04 0.89 0.70 1ye9I1 LEU 105 H 0.02 0.19 0.17 -0.55 8.37 8.20 1ye9I1 LEU 105 HA 0.03 0.14 0.48 -0.75 4.35 4.24 1ye9I1 LEU 105 HB2 0.02 0.06 0.12 -0.04 1.64 1.80 1ye9I1 LEU 105 HB3 0.02 -0.02 0.10 -0.04 1.64 1.71 1ye9I1 LEU 105 HG 0.04 -0.01 -0.08 -0.04 1.64 1.55 1ye9I1 LEU 105 HD13 0.03 0.01 0.03 -0.04 0.93 0.96 1ye9I1 LEU 105 HD23 0.02 0.01 -0.03 -0.04 0.89 0.85 1ye9I1 GLU 106 H 0.04 0.06 -0.21 -0.55 8.60 7.93 1ye9I1 GLU 106 HA 0.09 0.17 0.47 -0.75 4.29 4.26 1ye9I1 GLU 106 HB2 0.10 -0.01 0.09 -0.04 2.09 2.23 1ye9I1 GLU 106 HB3 0.06 0.05 0.07 -0.04 1.99 2.13 1ye9I1 GLU 106 HG2 0.04 0.02 0.02 -0.04 2.34 2.37 1ye9I1 GLU 106 HG3 0.04 -0.06 -0.03 -0.04 2.34 2.25 1ye9I1 ASP 107 H 0.03 0.39 -0.47 -0.55 8.40 7.80 1ye9I1 ASP 107 HA -0.05 0.04 0.50 -0.75 4.63 4.37 1ye9I1 ASP 107 HB2 -0.03 0.07 0.24 -0.04 2.71 2.96 1ye9I1 ASP 107 HB3 -0.02 0.15 0.28 -0.04 2.70 3.06 1ye9I1 PHE 108 H 0.18 0.59 0.45 -0.55 8.34 9.00 1ye9I1 PHE 108 HA 0.02 0.09 0.26 -0.75 4.62 4.23 1ye9I1 PHE 108 HB2 0.01 -0.00 0.12 -0.04 3.15 3.23 1ye9I1 PHE 108 HB3 0.01 0.12 0.16 -0.04 3.06 3.30 1ye9I1 PHE 108 HD2 0.01 0.08 -0.02 -0.04 7.28 7.31 1ye9I1 PHE 108 HE2 0.00 -0.00 -0.01 -0.04 7.38 7.32 1ye9I1 PHE 108 HZ 0.00 0.03 -0.02 -0.04 7.32 7.29 1ye9I1 ILE 109 H -0.69 0.05 -0.31 -0.55 8.25 6.74 1ye9I1 ILE 109 HA -0.20 0.12 0.64 -0.75 4.18 3.99 1ye9I1 ILE 109 HB -0.33 -0.04 0.09 -0.04 1.89 1.57 1ye9I1 ILE 109 HG12 -0.46 0.03 -0.00 -0.04 1.49 1.02 1ye9I1 ILE 109 HG13 -1.59 -0.07 0.02 -0.04 1.21 -0.47 1ye9I1 ILE 109 HG23 -0.13 0.02 -0.14 -0.04 0.93 0.65 1ye9I1 ILE 109 HD13 -0.26 0.02 0.02 -0.04 0.88 0.62 1ye9I1 LEU 110 H -0.13 0.12 -0.03 -0.55 8.37 7.79 1ye9I1 LEU 110 HA -0.04 0.10 0.47 -0.75 4.35 4.12 1ye9I1 LEU 110 HB2 -0.05 -0.04 0.16 -0.04 1.64 1.68 1ye9I1 LEU 110 HB3 -0.03 0.17 0.23 -0.04 1.64 1.97 1ye9I1 LEU 110 HG 0.00 -0.02 -0.44 -0.04 1.64 1.15 1ye9I1 LEU 110 HD13 -0.02 -0.00 -0.02 -0.04 0.93 0.85 1ye9I1 LEU 110 HD23 -0.00 0.01 -0.03 -0.04 0.89 0.83 1ye9I1 ARG 111 H 0.01 0.44 -0.04 -0.55 8.46 8.31 1ye9I1 ARG 111 HA 0.05 0.04 0.45 -0.75 4.34 4.12 1ye9I1 ARG 111 HB2 0.07 0.03 0.05 -0.04 1.90 2.01 1ye9I1 ARG 111 HB3 0.07 0.02 0.00 -0.04 1.80 1.85 1ye9I1 ARG 111 HG2 0.04 -0.02 0.01 -0.04 1.67 1.66 1ye9I1 ARG 111 HG3 0.03 0.05 0.03 -0.04 1.67 1.74 1ye9I1 ARG 111 HD2 0.05 -0.02 -0.01 -0.04 3.22 3.20 1ye9I1 ARG 111 HD3 0.04 -0.02 0.01 -0.04 3.22 3.21 1ye9I1 GLU 112 H 0.06 0.35 -0.34 -0.55 8.60 8.12 1ye9I1 GLU 112 HA 0.10 0.04 0.37 -0.75 4.29 4.04 1ye9I1 GLU 112 HB2 0.12 0.08 0.18 -0.04 2.09 2.42 1ye9I1 GLU 112 HB3 0.07 0.06 0.17 -0.04 1.99 2.25 1ye9I1 GLU 112 HG2 0.10 0.04 -0.03 -0.04 2.34 2.41 1ye9I1 GLU 112 HG3 0.10 0.02 0.06 -0.04 2.34 2.48 1ye9I1 LYS 113 H 0.03 0.45 -0.18 -0.55 8.42 8.17 1ye9I1 LYS 113 HA 0.06 0.03 0.43 -0.75 4.32 4.09 1ye9I1 LYS 113 HB2 -0.01 0.06 0.16 -0.04 1.87 2.04 1ye9I1 LYS 113 HB3 0.00 0.03 0.15 -0.04 1.79 1.94 1ye9I1 LYS 113 HG2 -0.00 -0.01 -0.05 -0.04 1.46 1.36 1ye9I1 LYS 113 HG3 0.00 -0.01 0.06 -0.04 1.46 1.47 1ye9I1 LYS 113 HD2 -0.03 -0.00 -0.01 -0.04 1.69 1.61 1ye9I1 LYS 113 HD3 -0.03 -0.03 -0.02 -0.04 1.68 1.56 1ye9I1 LYS 113 HE2 -0.06 -0.02 -0.05 -0.04 2.99 2.82 1ye9I1 LYS 113 HE3 -0.07 0.01 -0.03 -0.04 2.99 2.85 1ye9I1 ILE 114 H 0.06 0.74 -0.02 -0.55 8.25 8.48 1ye9I1 ILE 114 HA 0.17 0.01 0.36 -0.75 4.18 3.96 1ye9I1 ILE 114 HB 0.07 0.03 0.17 -0.04 1.89 2.12 1ye9I1 ILE 114 HG12 0.03 0.17 0.08 -0.04 1.49 1.72 1ye9I1 ILE 114 HG13 0.03 -0.06 -0.03 -0.04 1.21 1.11 1ye9I1 ILE 114 HG23 0.11 -0.01 -0.12 -0.04 0.93 0.87 1ye9I1 ILE 114 HD13 0.02 -0.01 -0.03 -0.04 0.88 0.82 1ye9I1 THR 115 H 0.11 0.78 0.05 -0.55 8.28 8.67 1ye9I1 THR 115 HA 0.13 -0.03 0.36 -0.75 4.39 4.09 1ye9I1 THR 115 HB 0.13 0.07 0.11 -0.04 4.32 4.59 1ye9I1 THR 115 HG23 0.14 -0.01 -0.13 -0.04 1.22 1.18 1ye9I1 HIS 116 H 0.21 0.45 -0.44 -0.55 8.41 8.08 1ye9I1 HIS 116 HA 0.12 0.03 0.35 -0.75 4.63 4.37 1ye9I1 HIS 116 HB2 0.07 0.06 0.14 -0.04 3.26 3.49 1ye9I1 HIS 116 HB3 0.09 0.04 0.09 -0.04 3.20 3.38 1ye9I1 HIS 116 HD2 0.04 -0.05 -0.00 -0.04 6.97 6.92 1ye9I1 HIS 116 HE1 0.04 0.01 -0.03 -0.04 7.75 7.73 1ye9I1 PHE 117 H 0.30 0.45 -0.00 -0.55 8.34 8.54 1ye9I1 PHE 117 HA 0.06 -0.03 0.38 -0.75 4.62 4.27 1ye9I1 PHE 117 HB2 0.04 -0.02 0.16 -0.04 3.15 3.29 1ye9I1 PHE 117 HB3 0.01 0.12 0.29 -0.04 3.06 3.44 1ye9I1 PHE 117 HD2 0.01 -0.01 0.02 -0.04 7.28 7.26 1ye9I1 PHE 117 HE2 -0.01 -0.02 -0.02 -0.04 7.38 7.30 1ye9I1 PHE 117 HZ -0.01 -0.02 -0.02 -0.04 7.32 7.23 1ye9I1 ASP 118 H 0.05 1.02 -0.04 -0.55 8.40 8.89 1ye9I1 ASP 118 HA -0.41 -0.07 0.21 -0.75 4.63 3.61 1ye9I1 ASP 118 HB2 -0.15 0.10 0.10 -0.04 2.71 2.72 1ye9I1 ASP 118 HB3 -0.56 -0.05 0.01 -0.04 2.70 2.06 1ye9I1 HIS 119 H -0.12 0.53 -0.64 -0.55 8.41 7.63 1ye9I1 HIS 119 HA -0.12 0.12 0.91 -0.75 4.63 4.79 1ye9I1 HIS 119 HB2 -0.16 0.03 0.09 -0.04 3.26 3.18 1ye9I1 HIS 119 HB3 -0.10 -0.05 0.15 -0.04 3.20 3.15 1ye9I1 HIS 119 HD2 -0.06 0.00 -0.01 -0.04 6.97 6.86 1ye9I1 HIS 119 HE1 -0.02 -0.09 -0.04 -0.04 7.75 7.56 1ye9I1 GLU 120 H -0.18 0.45 -0.05 -0.55 8.60 8.28 1ye9I1 GLU 120 HA -0.05 0.02 0.42 -0.75 4.29 3.92 1ye9I1 GLU 120 HB2 -0.14 0.29 0.27 -0.04 2.09 2.47 1ye9I1 GLU 120 HB3 -0.04 -0.09 0.06 -0.04 1.99 1.88 1ye9I1 GLU 120 HG2 0.09 -0.06 0.04 -0.04 2.34 2.36 1ye9I1 GLU 120 HG3 0.13 0.05 0.02 -0.04 2.34 2.49 1ye9I1 ARG 121 H -0.10 0.07 -0.07 -0.55 8.46 7.81 1ye9I1 ARG 121 HA -0.02 0.02 0.18 -0.75 4.34 3.77 1ye9I1 ARG 121 HB2 -0.06 -0.00 0.03 -0.04 1.90 1.82 1ye9I1 ARG 121 HB3 -0.03 0.06 -0.02 -0.04 1.80 1.76 1ye9I1 ARG 121 HG2 -0.09 -0.06 0.05 -0.04 1.67 1.52 1ye9I1 ARG 121 HG3 -0.08 -0.01 0.01 -0.04 1.67 1.55 1ye9I1 ARG 121 HD2 -0.03 -0.00 -0.01 -0.04 3.22 3.14 1ye9I1 ARG 121 HD3 -0.02 0.02 -0.04 -0.04 3.22 3.14 1ye9I1 ILE 122 H -0.01 0.10 0.15 -0.55 8.25 7.95 1ye9I1 ILE 122 HA -0.01 0.22 0.87 -0.75 4.18 4.51 1ye9I1 ILE 122 HB 0.00 0.01 0.17 -0.04 1.89 2.03 1ye9I1 ILE 122 HG12 0.01 -0.06 0.05 -0.04 1.49 1.45 1ye9I1 ILE 122 HG13 0.01 0.14 -0.17 -0.04 1.21 1.14 1ye9I1 ILE 122 HG23 -0.00 0.02 -0.09 -0.04 0.93 0.83 1ye9I1 ILE 122 HD13 0.01 -0.02 -0.01 -0.04 0.88 0.82 1ye9I1 PRO 123 HA -0.00 -0.01 0.39 -0.51 4.44 4.31 1ye9I1 PRO 123 HB2 0.01 0.03 -0.01 -0.04 2.28 2.27 1ye9I1 PRO 123 HB3 0.01 0.02 0.08 -0.04 2.02 2.08 1ye9I1 PRO 123 HG2 0.01 0.01 0.07 -0.04 2.03 2.07 1ye9I1 PRO 123 HG3 0.00 0.03 0.06 -0.04 2.03 2.09 1ye9I1 PRO 123 HD2 0.00 0.08 0.17 -0.04 3.68 3.90 1ye9I1 PRO 123 HD3 0.00 0.16 0.22 -0.04 3.65 3.99 1ye9I1 GLU 124 H 0.00 0.03 0.17 -0.55 8.60 8.26 1ye9I1 GLU 124 HA 0.01 0.11 0.65 -0.75 4.29 4.31 1ye9I1 GLU 124 HB2 0.01 0.02 0.11 -0.04 2.09 2.19 1ye9I1 GLU 124 HB3 0.01 -0.02 0.14 -0.04 1.99 2.07 1ye9I1 GLU 124 HG2 -0.00 -0.04 0.13 -0.04 2.34 2.39 1ye9I1 GLU 124 HG3 0.01 0.13 -0.06 -0.04 2.34 2.38 1ye9I1 ARG 125 H 0.03 0.13 0.06 -0.55 8.46 8.12 1ye9I1 ARG 125 HA 0.04 -0.01 0.32 -0.75 4.34 3.93 1ye9I1 ARG 125 HB2 0.07 0.08 -0.35 -0.04 1.90 1.66 1ye9I1 ARG 125 HB3 0.07 -0.04 -0.03 -0.04 1.80 1.77 1ye9I1 ARG 125 HG2 0.03 -0.07 -0.02 -0.04 1.67 1.57 1ye9I1 ARG 125 HG3 0.03 -0.07 0.04 -0.04 1.67 1.62 1ye9I1 ARG 125 HD2 0.03 0.11 0.04 -0.04 3.22 3.37 1ye9I1 ARG 125 HD3 0.06 0.18 -0.09 -0.04 3.22 3.33 1ye9I1 ILE 126 H 0.06 0.04 0.10 -0.55 8.25 7.90 1ye9I1 ILE 126 HA 0.03 0.09 0.33 -0.75 4.18 3.89 1ye9I1 ILE 126 HB 0.09 -0.07 0.07 -0.04 1.89 1.94 1ye9I1 ILE 126 HG12 0.06 -0.04 0.13 -0.04 1.49 1.60 1ye9I1 ILE 126 HG13 0.06 -0.02 0.03 -0.04 1.21 1.24 1ye9I1 ILE 126 HG23 0.04 0.00 -0.01 -0.04 0.93 0.92 1ye9I1 ILE 126 HD13 0.03 0.03 -0.02 -0.04 0.88 0.88 1ye9I1 VAL 127 H 0.12 0.02 -0.11 -0.55 8.24 7.72 1ye9I1 VAL 127 HA 0.01 0.33 0.75 -0.75 4.13 4.47 1ye9I1 VAL 127 HB 0.01 -0.03 0.01 -0.04 2.12 2.07 1ye9I1 VAL 127 HG13 0.00 0.00 -0.16 -0.04 0.97 0.77 1ye9I1 VAL 127 HG23 0.37 -0.03 -0.11 -0.04 0.95 1.14 1ye9I1 HIS 128 H -0.21 0.36 0.19 -0.55 8.41 8.21 1ye9I1 HIS 128 HA 0.05 0.46 0.28 -0.75 4.63 4.67 1ye9I1 HIS 128 HB2 0.03 0.08 0.03 -0.04 3.26 3.37 1ye9I1 HIS 128 HB3 0.02 -0.02 0.02 -0.04 3.20 3.17 1ye9I1 HIS 128 HD2 0.07 0.06 -0.20 -0.04 6.97 6.85 1ye9I1 HIS 128 HE1 0.14 -0.05 -0.16 -0.04 7.75 7.64 1ye9I1 ALA 129 H 0.03 0.26 -0.41 -0.55 8.40 7.73 1ye9I1 ALA 129 HA 0.04 -0.07 0.19 -0.75 4.34 3.75 1ye9I1 ALA 129 HB3 0.01 0.08 -0.07 -0.04 1.41 1.39 1ye9I1 ARG 130 H 0.03 0.09 -0.47 -0.55 8.46 7.56 1ye9I1 ARG 130 HA 0.03 0.06 0.18 -0.75 4.34 3.85 1ye9I1 ARG 130 HB2 0.02 0.27 -0.17 -0.04 1.90 1.98 1ye9I1 ARG 130 HB3 0.04 -0.19 -0.04 -0.04 1.80 1.57 1ye9I1 ARG 130 HG2 0.04 0.05 -0.27 -0.04 1.67 1.46 1ye9I1 ARG 130 HG3 0.07 -0.09 -0.34 -0.04 1.67 1.28 1ye9I1 ARG 130 HD2 0.03 0.02 -0.03 -0.04 3.22 3.21 1ye9I1 ARG 130 HD3 0.02 0.04 -0.20 -0.04 3.22 3.04 1ye9I1 GLY 131 H 0.03 0.19 0.27 -0.55 8.43 8.37 1ye9I1 GLY 131 HA2 0.01 0.24 1.17 -0.51 4.01 4.92 1ye9I1 GLY 131 HA3 -0.02 0.01 0.20 -0.51 4.01 3.70 1ye9I1 SER 132 H -0.07 0.80 0.40 -0.55 8.46 9.04 1ye9I1 SER 132 HA 0.00 0.10 0.77 -0.75 4.49 4.60 1ye9I1 SER 132 HB2 0.17 -0.06 0.11 -0.04 3.95 4.13 1ye9I1 SER 132 HB3 0.09 0.00 0.12 -0.04 3.93 4.10 1ye9I1 ALA 133 H -0.05 0.21 0.25 -0.55 8.40 8.26 1ye9I1 ALA 133 HA -0.42 0.51 1.31 -0.75 4.34 4.98 1ye9I1 ALA 133 HB3 -0.64 -0.06 -0.09 -0.04 1.41 0.59 1ye9I1 ALA 134 H -0.56 0.40 0.39 -0.55 8.40 8.07 1ye9I1 ALA 134 HA 0.06 0.05 0.62 -0.75 4.34 4.31 1ye9I1 ALA 134 HB3 -0.02 0.04 0.03 -0.04 1.41 1.42 1ye9I1 HIS 135 H 0.25 0.11 0.21 -0.55 8.41 8.44 1ye9I1 HIS 135 HA 0.27 0.19 1.02 -0.75 4.63 5.35 1ye9I1 HIS 135 HB2 0.07 -0.03 0.10 -0.04 3.26 3.36 1ye9I1 HIS 135 HB3 0.06 0.05 0.16 -0.04 3.20 3.43 1ye9I1 HIS 135 HD2 0.07 -0.00 0.06 -0.04 6.97 7.06 1ye9I1 HIS 135 HE1 -0.48 0.00 -0.03 -0.04 7.75 7.20 1ye9I1 GLY 136 H 0.17 0.61 0.45 -0.55 8.43 9.11 1ye9I1 GLY 136 HA2 0.08 0.05 0.46 -0.51 4.01 4.09 1ye9I1 GLY 136 HA3 -0.04 0.05 0.38 -0.51 4.01 3.88 1ye9I1 TYR 137 H -0.31 0.27 0.21 -0.55 8.29 7.91 1ye9I1 TYR 137 HA 0.14 0.21 0.91 -0.75 4.56 5.06 1ye9I1 TYR 137 HB2 0.12 0.02 -0.01 -0.04 3.06 3.14 1ye9I1 TYR 137 HB3 0.08 -0.00 -0.22 -0.04 2.98 2.80 1ye9I1 TYR 137 HD2 0.07 -0.00 -0.30 -0.04 7.15 6.87 1ye9I1 TYR 137 HE2 0.04 0.01 -0.07 -0.04 6.85 6.79 1ye9I1 PHE 138 H 0.49 0.53 0.30 -0.55 8.34 9.12 1ye9I1 PHE 138 HA 0.22 0.14 0.89 -0.75 4.62 5.11 1ye9I1 PHE 138 HB2 0.25 0.06 -0.17 -0.04 3.15 3.24 1ye9I1 PHE 138 HB3 0.36 0.01 -0.10 -0.04 3.06 3.28 1ye9I1 PHE 138 HD2 0.45 -0.02 -0.19 -0.04 7.28 7.47 1ye9I1 PHE 138 HE2 0.16 0.08 -0.12 -0.04 7.38 7.46 1ye9I1 PHE 138 HZ -0.03 -0.07 -0.14 -0.04 7.32 7.04 1ye9I1 GLN 139 H -0.63 0.26 0.19 -0.55 8.47 7.74 1ye9I1 GLN 139 HA -0.24 0.28 0.72 -0.75 4.36 4.36 1ye9I1 GLN 139 HB2 -0.03 0.22 0.02 -0.04 2.15 2.32 1ye9I1 GLN 139 HB3 0.02 -0.17 -0.22 -0.04 2.02 1.61 1ye9I1 GLN 139 HG2 -0.08 -0.15 -0.06 -0.04 2.40 2.07 1ye9I1 GLN 139 HG3 -0.05 0.26 -0.14 -0.04 2.39 2.42 1ye9I1 GLN 139 HE21 0.01 -0.16 -0.01 -0.04 6.97 6.77 1ye9I1 GLN 139 HE22 0.01 0.64 0.10 -0.04 7.69 8.40 1ye9I1 PRO 140 HA -0.35 0.06 0.45 -0.51 4.44 4.09 1ye9I1 PRO 140 HB2 -0.05 -0.09 -0.15 -0.04 2.28 1.94 1ye9I1 PRO 140 HB3 -0.06 0.02 0.10 -0.04 2.02 2.05 1ye9I1 PRO 140 HG2 -0.03 -0.20 -0.42 -0.04 2.03 1.34 1ye9I1 PRO 140 HG3 -0.01 0.17 0.12 -0.04 2.03 2.28 1ye9I1 PRO 140 HD2 -0.06 0.13 0.10 -0.04 3.68 3.81 1ye9I1 PRO 140 HD3 -0.02 0.30 0.25 -0.04 3.65 4.14 1ye9I1 TYR 141 H -0.10 0.11 0.18 -0.55 8.29 7.93 1ye9I1 TYR 141 HA -0.03 0.20 0.72 -0.75 4.56 4.69 1ye9I1 TYR 141 HB2 -0.00 -0.03 0.17 -0.04 3.06 3.15 1ye9I1 TYR 141 HB3 -0.00 -0.00 0.08 -0.04 2.98 3.01 1ye9I1 TYR 141 HD2 0.00 0.04 0.01 -0.04 7.15 7.16 1ye9I1 TYR 141 HE2 0.04 0.01 0.00 -0.04 6.85 6.86 1ye9I1 LYS 142 H 0.05 0.13 -0.04 -0.55 8.42 8.00 1ye9I1 LYS 142 HA 0.03 0.10 0.66 -0.75 4.32 4.36 1ye9I1 LYS 142 HB2 0.02 0.03 -0.08 -0.04 1.87 1.81 1ye9I1 LYS 142 HB3 0.04 0.11 -0.21 -0.04 1.79 1.69 1ye9I1 LYS 142 HG2 0.11 -0.10 -0.14 -0.04 1.46 1.28 1ye9I1 LYS 142 HG3 0.04 0.01 -0.14 -0.04 1.46 1.33 1ye9I1 LYS 142 HD2 0.02 0.02 -0.08 -0.04 1.69 1.62 1ye9I1 LYS 142 HD3 0.05 0.00 -0.07 -0.04 1.68 1.61 1ye9I1 LYS 142 HE2 0.03 -0.03 -0.05 -0.04 2.99 2.91 1ye9I1 LYS 142 HE3 0.01 0.07 -0.09 -0.04 2.99 2.94 1ye9I1 SER 143 H 0.00 0.13 0.09 -0.55 8.46 8.14 1ye9I1 SER 143 HA -0.03 0.09 0.14 -0.75 4.49 3.93 1ye9I1 SER 143 HB2 -0.01 0.22 0.08 -0.04 3.95 4.20 1ye9I1 SER 143 HB3 -0.01 -0.02 0.17 -0.04 3.93 4.03 1ye9I1 LEU 144 H -0.06 0.57 0.31 -0.55 8.37 8.64 1ye9I1 LEU 144 HA -0.03 0.15 0.83 -0.75 4.35 4.55 1ye9I1 LEU 144 HB2 -0.10 0.05 0.13 -0.04 1.64 1.68 1ye9I1 LEU 144 HB3 -0.06 -0.13 0.22 -0.04 1.64 1.64 1ye9I1 LEU 144 HG -0.07 0.13 0.15 -0.04 1.64 1.80 1ye9I1 LEU 144 HD13 -0.06 -0.02 0.04 -0.04 0.93 0.85 1ye9I1 LEU 144 HD23 -0.01 0.03 -0.07 -0.04 0.89 0.80 1ye9I1 SER 145 H -0.03 0.12 -0.43 -0.55 8.46 7.57 1ye9I1 SER 145 HA -0.04 0.32 0.12 -0.75 4.49 4.13 1ye9I1 SER 145 HB2 -0.03 0.04 0.07 -0.04 3.95 3.99 1ye9I1 SER 145 HB3 -0.02 0.01 0.09 -0.04 3.93 3.97 1ye9I1 ASP 146 H -0.03 0.05 -0.77 -0.55 8.40 7.11 1ye9I1 ASP 146 HA -0.02 0.04 0.34 -0.75 4.63 4.24 1ye9I1 ASP 146 HB2 -0.02 0.00 0.01 -0.04 2.71 2.67 1ye9I1 ASP 146 HB3 -0.02 0.03 -0.06 -0.04 2.70 2.61 1ye9I1 ILE 147 H -0.03 0.43 -0.03 -0.55 8.25 8.07 1ye9I1 ILE 147 HA -0.04 0.19 0.76 -0.75 4.18 4.35 1ye9I1 ILE 147 HB -0.04 -0.00 -0.01 -0.04 1.89 1.80 1ye9I1 ILE 147 HG12 -0.03 -0.06 0.10 -0.04 1.49 1.46 1ye9I1 ILE 147 HG13 -0.04 0.04 0.07 -0.04 1.21 1.24 1ye9I1 ILE 147 HG23 -0.02 -0.01 -0.11 -0.04 0.93 0.75 1ye9I1 ILE 147 HD13 -0.03 -0.00 -0.02 -0.04 0.88 0.80 1ye9I1 THR 148 H -0.05 0.52 0.02 -0.55 8.28 8.21 1ye9I1 THR 148 HA -0.05 0.17 0.03 -0.75 4.39 3.79 1ye9I1 THR 148 HB -0.06 -0.00 -0.07 -0.04 4.32 4.15 1ye9I1 THR 148 HG23 -0.10 0.00 -0.06 -0.04 1.22 1.02 1ye9I1 LYS 149 H -0.04 0.82 0.40 -0.55 8.42 9.05 1ye9I1 LYS 149 HA -0.04 0.13 0.59 -0.75 4.32 4.25 1ye9I1 LYS 149 HB2 -0.02 0.00 0.14 -0.04 1.87 1.94 1ye9I1 LYS 149 HB3 -0.03 -0.10 -0.04 -0.04 1.79 1.58 1ye9I1 LYS 149 HG2 -0.03 0.10 -0.05 -0.04 1.46 1.44 1ye9I1 LYS 149 HG3 -0.02 -0.06 -0.07 -0.04 1.46 1.27 1ye9I1 LYS 149 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.61 1ye9I1 LYS 149 HD3 -0.02 -0.03 -0.03 -0.04 1.68 1.57 1ye9I1 LYS 149 HE2 -0.02 0.04 -0.22 -0.04 2.99 2.74 1ye9I1 LYS 149 HE3 -0.02 0.01 -0.12 -0.04 2.99 2.82 1ye9I1 ALA 150 H -0.08 0.12 -0.69 -0.55 8.40 7.20 1ye9I1 ALA 150 HA -0.02 0.10 0.32 -0.75 4.34 3.98 1ye9I1 ALA 150 HB3 -0.08 0.01 -0.02 -0.04 1.41 1.28 1ye9I1 ASP 151 H 0.03 0.20 0.20 -0.55 8.40 8.28 1ye9I1 ASP 151 HA 0.01 0.11 0.32 -0.75 4.63 4.31 1ye9I1 ASP 151 HB2 0.05 0.08 0.16 -0.04 2.71 2.96 1ye9I1 ASP 151 HB3 0.11 -0.11 0.09 -0.04 2.70 2.75 1ye9I1 PHE 152 H 0.40 0.10 -0.08 -0.55 8.34 8.21 1ye9I1 PHE 152 HA 0.09 0.08 0.19 -0.75 4.62 4.22 1ye9I1 PHE 152 HB2 0.17 0.10 0.05 -0.04 3.15 3.42 1ye9I1 PHE 152 HB3 0.05 -0.10 0.08 -0.04 3.06 3.05 1ye9I1 PHE 152 HD2 -0.16 -0.05 -0.14 -0.04 7.28 6.89 1ye9I1 PHE 152 HE2 -0.83 0.01 -0.12 -0.04 7.38 6.40 1ye9I1 PHE 152 HZ -0.62 0.02 -0.10 -0.04 7.32 6.57 1ye9I1 LEU 153 H -0.40 0.22 -0.88 -0.55 8.37 6.76 1ye9I1 LEU 153 HA -0.25 0.17 0.78 -0.75 4.35 4.30 1ye9I1 LEU 153 HB2 -0.43 0.18 -0.01 -0.04 1.64 1.33 1ye9I1 LEU 153 HB3 -0.30 -0.09 0.10 -0.04 1.64 1.31 1ye9I1 LEU 153 HG -2.48 -0.08 -0.20 -0.04 1.64 -1.16 1ye9I1 LEU 153 HD13 -0.34 -0.01 -0.05 -0.04 0.93 0.48 1ye9I1 LEU 153 HD23 -0.43 0.04 -0.10 -0.04 0.89 0.35 1ye9I1 SER 154 H -0.06 0.80 0.09 -0.55 8.46 8.75 1ye9I1 SER 154 HA -0.06 -0.07 0.43 -0.75 4.49 4.04 1ye9I1 SER 154 HB2 -0.02 -0.07 0.14 -0.04 3.95 3.96 1ye9I1 SER 154 HB3 -0.04 0.06 -0.08 -0.04 3.93 3.82 1ye9I1 ASP 155 H -0.02 0.25 -0.46 -0.55 8.40 7.62 1ye9I1 ASP 155 HA -0.00 0.06 0.59 -0.75 4.63 4.53 1ye9I1 ASP 155 HB2 0.00 0.21 -0.05 -0.04 2.71 2.83 1ye9I1 ASP 155 HB3 0.01 -0.02 -0.27 -0.04 2.70 2.38 1ye9I1 PRO 156 HA -0.01 0.20 0.14 -0.51 4.44 4.25 1ye9I1 PRO 156 HB2 0.03 0.01 -0.05 -0.04 2.28 2.22 1ye9I1 PRO 156 HB3 0.04 0.31 -0.26 -0.04 2.02 2.06 1ye9I1 PRO 156 HG2 0.02 0.05 0.06 -0.04 2.03 2.12 1ye9I1 PRO 156 HG3 0.02 -0.06 0.04 -0.04 2.03 1.99 1ye9I1 PRO 156 HD2 0.01 0.10 0.13 -0.04 3.68 3.88 1ye9I1 PRO 156 HD3 0.00 0.02 0.21 -0.04 3.65 3.84 1ye9I1 ASN 157 H 0.01 -0.06 -0.55 -0.55 8.53 7.39 1ye9I1 ASN 157 HA 0.01 0.22 0.76 -0.75 4.76 4.99 1ye9I1 ASN 157 HB2 0.01 -0.04 -0.06 -0.04 2.88 2.75 1ye9I1 ASN 157 HB3 0.01 0.01 0.04 -0.04 2.79 2.81 1ye9I1 ASN 157 HD21 0.01 0.00 -0.03 -0.04 7.03 6.97 1ye9I1 ASN 157 HD22 0.01 -0.01 -0.02 -0.04 7.74 7.67 1ye9I1 LYS 158 H 0.03 0.38 -0.18 -0.55 8.42 8.10 1ye9I1 LYS 158 HA 0.06 0.05 0.73 -0.75 4.32 4.40 1ye9I1 LYS 158 HB2 0.05 -0.07 0.10 -0.04 1.87 1.91 1ye9I1 LYS 158 HB3 0.11 0.06 0.08 -0.04 1.79 1.99 1ye9I1 LYS 158 HG2 0.12 -0.00 -0.09 -0.04 1.46 1.44 1ye9I1 LYS 158 HG3 0.07 0.02 0.02 -0.04 1.46 1.53 1ye9I1 LYS 158 HD2 0.05 -0.00 -0.05 -0.04 1.69 1.65 1ye9I1 LYS 158 HD3 0.09 -0.11 -0.12 -0.04 1.68 1.50 1ye9I1 LYS 158 HE2 0.05 0.01 -0.02 -0.04 2.99 2.99 1ye9I1 LYS 158 HE3 0.04 0.01 -0.05 -0.04 2.99 2.95 1ye9I1 ILE 159 H 0.06 0.17 0.11 -0.55 8.25 8.04 1ye9I1 ILE 159 HA 0.13 0.25 0.77 -0.75 4.18 4.58 1ye9I1 ILE 159 HB 0.03 -0.05 0.13 -0.04 1.89 1.96 1ye9I1 ILE 159 HG12 0.01 0.08 -0.13 -0.04 1.49 1.40 1ye9I1 ILE 159 HG13 -0.05 -0.04 0.00 -0.04 1.21 1.08 1ye9I1 ILE 159 HG23 -0.01 -0.02 -0.16 -0.04 0.93 0.70 1ye9I1 ILE 159 HD13 -0.08 0.01 -0.11 -0.04 0.88 0.66 1ye9I1 THR 160 H 0.38 1.00 0.35 -0.55 8.28 9.46 1ye9I1 THR 160 HA 0.25 0.22 0.97 -0.75 4.39 5.08 1ye9I1 THR 160 HB 0.67 0.01 0.10 -0.04 4.32 5.06 1ye9I1 THR 160 HG23 0.34 0.07 -0.23 -0.04 1.22 1.36 1ye9I1 PRO 161 HA 0.20 0.19 0.80 -0.51 4.44 5.12 1ye9I1 PRO 161 HB2 -0.11 -0.03 0.09 -0.04 2.28 2.19 1ye9I1 PRO 161 HB3 0.01 0.04 0.17 -0.04 2.02 2.20 1ye9I1 PRO 161 HG2 0.01 0.04 0.12 -0.04 2.03 2.16 1ye9I1 PRO 161 HG3 0.06 0.05 0.07 -0.04 2.03 2.17 1ye9I1 PRO 161 HD2 0.23 0.14 0.26 -0.04 3.68 4.28 1ye9I1 PRO 161 HD3 0.17 0.23 0.30 -0.04 3.65 4.31 1ye9I1 VAL 162 H 0.17 0.70 0.35 -0.55 8.24 8.91 1ye9I1 VAL 162 HA 0.29 0.27 0.79 -0.75 4.13 4.73 1ye9I1 VAL 162 HB -0.35 0.04 -0.10 -0.04 2.12 1.67 1ye9I1 VAL 162 HG13 -0.12 0.01 -0.39 -0.04 0.97 0.42 1ye9I1 VAL 162 HG23 -0.12 -0.03 -0.46 -0.04 0.95 0.30 1ye9I1 PHE 163 H 0.16 0.50 0.34 -0.55 8.34 8.79 1ye9I1 PHE 163 HA -0.18 0.23 1.01 -0.75 4.62 4.93 1ye9I1 PHE 163 HB2 0.15 -0.01 -0.03 -0.04 3.15 3.23 1ye9I1 PHE 163 HB3 -0.03 -0.05 0.11 -0.04 3.06 3.05 1ye9I1 PHE 163 HD2 -0.42 0.01 -0.14 -0.04 7.28 6.69 1ye9I1 PHE 163 HE2 -0.31 -0.01 -0.18 -0.04 7.38 6.84 1ye9I1 PHE 163 HZ -0.15 0.03 -0.12 -0.04 7.32 7.04 1ye9I1 VAL 164 H -0.80 0.48 0.29 -0.55 8.24 7.66 1ye9I1 VAL 164 HA -0.57 0.25 1.26 -0.75 4.13 4.31 1ye9I1 VAL 164 HB -0.50 0.05 0.06 -0.04 2.12 1.68 1ye9I1 VAL 164 HG13 -1.13 0.01 -0.26 -0.04 0.97 -0.45 1ye9I1 VAL 164 HG23 -0.43 -0.03 -0.30 -0.04 0.95 0.14 1ye9I1 ARG 165 H -0.57 0.62 0.32 -0.55 8.46 8.28 1ye9I1 ARG 165 HA -0.57 0.27 1.05 -0.75 4.34 4.34 1ye9I1 ARG 165 HB2 -0.43 -0.07 -0.11 -0.04 1.90 1.24 1ye9I1 ARG 165 HB3 -0.32 -0.06 0.08 -0.04 1.80 1.46 1ye9I1 ARG 165 HG2 -0.18 0.04 -0.29 -0.04 1.67 1.19 1ye9I1 ARG 165 HG3 -0.22 0.02 -0.16 -0.04 1.67 1.27 1ye9I1 ARG 165 HD2 -0.11 -0.06 -0.13 -0.04 3.22 2.88 1ye9I1 ARG 165 HD3 -0.10 -0.02 -0.11 -0.04 3.22 2.94 1ye9I1 PHE 166 H -0.45 0.74 0.42 -0.55 8.34 8.50 1ye9I1 PHE 166 HA -0.38 0.25 0.94 -0.75 4.62 4.68 1ye9I1 PHE 166 HB2 -1.26 -0.05 0.12 -0.04 3.15 1.92 1ye9I1 PHE 166 HB3 -1.31 0.04 0.14 -0.04 3.06 1.89 1ye9I1 PHE 166 HD2 -0.58 0.10 0.05 -0.04 7.28 6.81 1ye9I1 PHE 166 HE2 -1.56 0.01 -0.12 -0.04 7.38 5.67 1ye9I1 PHE 166 HZ -0.68 -0.01 -0.14 -0.04 7.32 6.45 1ye9I1 SER 167 H -0.06 0.43 0.33 -0.55 8.46 8.62 1ye9I1 SER 167 HA 0.03 0.22 0.96 -0.75 4.49 4.94 1ye9I1 SER 167 HB2 0.18 0.18 -0.05 -0.04 3.95 4.22 1ye9I1 SER 167 HB3 0.03 0.04 -0.31 -0.04 3.93 3.65 1ye9I1 THR 168 H 0.10 0.34 0.18 -0.55 8.28 8.35 1ye9I1 THR 168 HA 0.12 0.32 0.91 -0.75 4.39 4.99 1ye9I1 THR 168 HB 0.05 -0.25 0.15 -0.04 4.32 4.22 1ye9I1 THR 168 HG23 0.10 0.05 0.02 -0.04 1.22 1.35 1ye9I1 VAL 169 H 0.01 0.07 0.12 -0.55 8.24 7.89 1ye9I1 VAL 169 HA -0.43 0.16 1.02 -0.75 4.13 4.13 1ye9I1 VAL 169 HB 0.02 -0.04 0.13 -0.04 2.12 2.19 1ye9I1 VAL 169 HG13 -0.03 0.00 -0.11 -0.04 0.97 0.79 1ye9I1 VAL 169 HG23 -0.02 0.07 -0.29 -0.04 0.95 0.67 1ye9I1 GLN 170 H -0.04 0.04 0.15 -0.55 8.47 8.07 1ye9I1 GLN 170 HA -0.08 0.13 0.12 -0.75 4.36 3.78 1ye9I1 GLN 170 HB2 -0.10 -0.00 0.05 -0.04 2.15 2.06 1ye9I1 GLN 170 HB3 -0.07 -0.14 0.10 -0.04 2.02 1.87 1ye9I1 GLN 170 HG2 -0.10 0.01 -0.03 -0.04 2.40 2.24 1ye9I1 GLN 170 HG3 -0.12 0.27 -0.23 -0.04 2.39 2.26 1ye9I1 GLN 170 HE21 -0.14 0.36 0.06 -0.04 6.97 7.21 1ye9I1 GLN 170 HE22 -0.09 0.56 0.07 -0.04 7.69 8.18 1ye9I1 GLY 171 H -0.03 -0.01 -0.00 -0.55 8.43 7.84 1ye9I1 GLY 171 HA2 -0.05 -0.00 0.37 -0.51 4.01 3.82 1ye9I1 GLY 171 HA3 -0.03 0.03 0.33 -0.51 4.01 3.83 1ye9I1 GLY 172 H -0.03 0.03 0.14 -0.55 8.43 8.03 1ye9I1 GLY 172 HA2 -0.01 0.25 0.49 -0.51 4.01 4.23 1ye9I1 GLY 172 HA3 -0.02 0.02 0.35 -0.51 4.01 3.85 1ye9I1 ALA 173 H -0.00 0.20 0.11 -0.55 8.40 8.16 1ye9I1 ALA 173 HA 0.01 0.13 0.15 -0.75 4.34 3.87 1ye9I1 ALA 173 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 1ye9I1 GLY 174 H -0.01 -0.08 -0.56 -0.55 8.43 7.24 1ye9I1 GLY 174 HA2 0.00 0.25 0.67 -0.51 4.01 4.42 1ye9I1 GLY 174 HA3 -0.01 -0.03 0.22 -0.51 4.01 3.68 1ye9I1 SER 175 H -0.00 0.44 -0.36 -0.55 8.46 8.00 1ye9I1 SER 175 HA -0.02 0.14 0.79 -0.75 4.49 4.65 1ye9I1 SER 175 HB2 -0.02 -0.03 0.09 -0.04 3.95 3.94 1ye9I1 SER 175 HB3 -0.03 -0.20 0.09 -0.04 3.93 3.75 1ye9I1 ALA 176 H -0.01 0.05 0.06 -0.55 8.40 7.96 1ye9I1 ALA 176 HA -0.00 0.10 0.37 -0.75 4.34 4.05 1ye9I1 ALA 176 HB3 -0.01 -0.00 0.02 -0.04 1.41 1.38 1ye9I1 ASP 177 H 0.00 0.12 0.13 -0.55 8.40 8.10 1ye9I1 ASP 177 HA 0.05 0.14 0.55 -0.75 4.63 4.62 1ye9I1 ASP 177 HB2 -0.02 -0.04 0.07 -0.04 2.71 2.67 1ye9I1 ASP 177 HB3 -0.05 0.04 -0.07 -0.04 2.70 2.58 1ye9I1 THR 178 H -0.01 -0.03 -0.15 -0.55 8.28 7.55 1ye9I1 THR 178 HA -0.02 0.29 0.46 -0.75 4.39 4.37 1ye9I1 THR 178 HB -0.01 0.03 0.21 -0.04 4.32 4.50 1ye9I1 THR 178 HG23 -0.04 0.02 -0.04 -0.04 1.22 1.11 1ye9I1 VAL 179 H 0.02 0.43 -0.04 -0.55 8.24 8.11 1ye9I1 VAL 179 HA 0.01 0.14 0.91 -0.75 4.13 4.44 1ye9I1 VAL 179 HB 0.00 0.22 0.08 -0.04 2.12 2.39 1ye9I1 VAL 179 HG13 -0.01 -0.08 -0.13 -0.04 0.97 0.71 1ye9I1 VAL 179 HG23 0.02 -0.04 -0.22 -0.04 0.95 0.68 1ye9I1 ARG 180 H 0.02 0.09 0.21 -0.55 8.46 8.23 1ye9I1 ARG 180 HA 0.06 0.46 0.83 -0.75 4.34 4.94 1ye9I1 ARG 180 HB2 0.05 -0.01 0.12 -0.04 1.90 2.02 1ye9I1 ARG 180 HB3 0.04 -0.15 0.23 -0.04 1.80 1.88 1ye9I1 ARG 180 HG2 0.08 -0.10 -0.19 -0.04 1.67 1.42 1ye9I1 ARG 180 HG3 0.09 0.18 0.02 -0.04 1.67 1.92 1ye9I1 ARG 180 HD2 0.10 -0.15 0.01 -0.04 3.22 3.14 1ye9I1 ARG 180 HD3 0.14 0.03 -0.04 -0.04 3.22 3.30 1ye9I1 ASP 181 H 0.09 0.80 0.38 -0.55 8.40 9.12 1ye9I1 ASP 181 HA 0.07 -0.07 0.47 -0.75 4.63 4.34 1ye9I1 ASP 181 HB2 0.02 0.19 -0.52 -0.04 2.71 2.36 1ye9I1 ASP 181 HB3 0.07 0.11 -0.17 -0.04 2.70 2.66 1ye9I1 ILE 182 H 0.18 -0.01 0.15 -0.55 8.25 8.02 1ye9I1 ILE 182 HA 0.16 0.12 0.60 -0.75 4.18 4.31 1ye9I1 ILE 182 HB 0.25 -0.07 0.01 -0.04 1.89 2.04 1ye9I1 ILE 182 HG12 0.33 -0.07 0.09 -0.04 1.49 1.80 1ye9I1 ILE 182 HG13 0.39 -0.04 0.01 -0.04 1.21 1.54 1ye9I1 ILE 182 HG23 0.20 0.04 0.01 -0.04 0.93 1.14 1ye9I1 ILE 182 HD13 -0.00 0.04 -0.04 -0.04 0.88 0.84 1ye9I1 ARG 183 H 0.19 0.11 0.25 -0.55 8.46 8.45 1ye9I1 ARG 183 HA 0.19 0.28 0.91 -0.75 4.34 4.97 1ye9I1 ARG 183 HB2 0.21 -0.05 0.06 -0.04 1.90 2.07 1ye9I1 ARG 183 HB3 0.20 0.12 0.22 -0.04 1.80 2.29 1ye9I1 ARG 183 HG2 0.19 -0.02 0.05 -0.04 1.67 1.85 1ye9I1 ARG 183 HG3 0.25 -0.03 -0.03 -0.04 1.67 1.82 1ye9I1 ARG 183 HD2 0.16 0.10 -0.86 -0.04 3.22 2.59 1ye9I1 ARG 183 HD3 0.15 0.27 -0.24 -0.04 3.22 3.35 1ye9I1 GLY 184 H 0.20 0.62 0.38 -0.55 8.43 9.08 1ye9I1 GLY 184 HA2 0.17 0.11 0.96 -0.51 4.01 4.73 1ye9I1 GLY 184 HA3 0.05 -0.00 0.26 -0.51 4.01 3.81 1ye9I1 PHE 185 H 0.08 0.64 0.22 -0.55 8.34 8.72 1ye9I1 PHE 185 HA -0.20 0.10 0.76 -0.75 4.62 4.53 1ye9I1 PHE 185 HB2 0.15 0.09 -0.37 -0.04 3.15 2.99 1ye9I1 PHE 185 HB3 0.08 -0.05 -0.16 -0.04 3.06 2.89 1ye9I1 PHE 185 HD2 -0.13 0.15 -0.43 -0.04 7.28 6.83 1ye9I1 PHE 185 HE2 -0.45 0.05 -0.25 -0.04 7.38 6.68 1ye9I1 PHE 185 HZ -0.79 -0.03 -0.16 -0.04 7.32 6.29 1ye9I1 ALA 186 H -0.20 0.73 0.33 -0.55 8.40 8.71 1ye9I1 ALA 186 HA -0.10 0.24 1.03 -0.75 4.34 4.76 1ye9I1 ALA 186 HB3 -0.19 -0.01 0.01 -0.04 1.41 1.18 1ye9I1 THR 187 H -0.17 0.31 0.13 -0.55 8.28 7.99 1ye9I1 THR 187 HA -0.36 0.26 1.13 -0.75 4.39 4.68 1ye9I1 THR 187 HB -0.04 -0.01 0.13 -0.04 4.32 4.36 1ye9I1 THR 187 HG23 -0.83 -0.01 -0.32 -0.04 1.22 0.01 1ye9I1 LYS 188 H -0.30 0.95 0.39 -0.55 8.42 8.91 1ye9I1 LYS 188 HA -0.29 0.11 0.93 -0.75 4.32 4.31 1ye9I1 LYS 188 HB2 -0.18 0.00 0.03 -0.04 1.87 1.68 1ye9I1 LYS 188 HB3 -0.17 -0.09 0.23 -0.04 1.79 1.72 1ye9I1 LYS 188 HG2 -0.74 0.01 -0.23 -0.04 1.46 0.45 1ye9I1 LYS 188 HG3 -0.30 -0.02 -0.08 -0.04 1.46 1.03 1ye9I1 LYS 188 HD2 -0.03 -0.01 -0.04 -0.04 1.69 1.57 1ye9I1 LYS 188 HD3 -0.39 0.00 -0.09 -0.04 1.68 1.16 1ye9I1 LYS 188 HE2 -0.04 0.01 -0.08 -0.04 2.99 2.85 1ye9I1 LYS 188 HE3 -0.05 0.01 -0.07 -0.04 2.99 2.84 1ye9I1 PHE 189 H -0.12 0.75 0.37 -0.55 8.34 8.79 1ye9I1 PHE 189 HA -0.06 0.24 0.80 -0.75 4.62 4.85 1ye9I1 PHE 189 HB2 -0.29 0.04 0.34 -0.04 3.15 3.20 1ye9I1 PHE 189 HB3 -0.32 -0.07 0.01 -0.04 3.06 2.64 1ye9I1 PHE 189 HD2 -0.37 0.12 -0.05 -0.04 7.28 6.94 1ye9I1 PHE 189 HE2 -0.56 -0.01 -0.11 -0.04 7.38 6.66 1ye9I1 PHE 189 HZ 0.30 0.01 -0.12 -0.04 7.32 7.48 1ye9I1 TYR 190 H 0.39 0.72 0.19 -0.55 8.29 9.04 1ye9I1 TYR 190 HA 0.05 0.08 0.74 -0.75 4.56 4.67 1ye9I1 TYR 190 HB2 0.07 0.04 0.24 -0.04 3.06 3.36 1ye9I1 TYR 190 HB3 0.04 0.01 0.13 -0.04 2.98 3.12 1ye9I1 TYR 190 HD2 0.03 0.17 -0.18 -0.04 7.15 7.13 1ye9I1 TYR 190 HE2 0.04 -0.05 -0.09 -0.04 6.85 6.70 1ye9I1 THR 191 H 0.06 0.34 -0.03 -0.55 8.28 8.10 1ye9I1 THR 191 HA 0.17 0.10 0.37 -0.75 4.39 4.28 1ye9I1 THR 191 HB 0.16 -0.15 0.14 -0.04 4.32 4.43 1ye9I1 THR 191 HG23 -0.18 0.06 0.03 -0.04 1.22 1.09 1ye9I1 GLU 192 H 0.12 0.11 0.15 -0.55 8.60 8.43 1ye9I1 GLU 192 HA 0.07 0.22 0.64 -0.75 4.29 4.47 1ye9I1 GLU 192 HB2 0.07 -0.04 0.06 -0.04 2.09 2.13 1ye9I1 GLU 192 HB3 0.05 0.03 0.18 -0.04 1.99 2.21 1ye9I1 GLU 192 HG2 0.08 0.09 0.04 -0.04 2.34 2.50 1ye9I1 GLU 192 HG3 0.11 -0.05 0.08 -0.04 2.34 2.43 1ye9I1 GLU 193 H 0.07 -0.00 -0.41 -0.55 8.60 7.71 1ye9I1 GLU 193 HA 0.03 0.25 0.83 -0.75 4.29 4.65 1ye9I1 GLU 193 HB2 0.05 -0.14 0.06 -0.04 2.09 2.01 1ye9I1 GLU 193 HB3 0.02 0.04 0.19 -0.04 1.99 2.20 1ye9I1 GLU 193 HG2 0.03 0.11 0.03 -0.04 2.34 2.46 1ye9I1 GLU 193 HG3 0.04 -0.05 -0.26 -0.04 2.34 2.03 1ye9I1 GLY 194 H 0.05 0.28 -0.30 -0.55 8.43 7.92 1ye9I1 GLY 194 HA2 0.03 0.02 0.26 -0.51 4.01 3.81 1ye9I1 GLY 194 HA3 0.02 0.24 0.84 -0.51 4.01 4.59 1ye9I1 ILE 195 H 0.00 0.11 0.14 -0.55 8.25 7.96 1ye9I1 ILE 195 HA -0.05 0.25 0.84 -0.75 4.18 4.46 1ye9I1 ILE 195 HB -0.05 -0.02 0.12 -0.04 1.89 1.89 1ye9I1 ILE 195 HG12 -0.00 -0.09 -0.03 -0.04 1.49 1.33 1ye9I1 ILE 195 HG13 -0.03 0.01 0.02 -0.04 1.21 1.18 1ye9I1 ILE 195 HG23 -0.21 -0.00 -0.17 -0.04 0.93 0.51 1ye9I1 ILE 195 HD13 -0.15 0.02 -0.07 -0.04 0.88 0.63 1ye9I1 PHE 196 H -0.02 0.60 0.37 -0.55 8.34 8.74 1ye9I1 PHE 196 HA -0.15 0.13 0.79 -0.75 4.62 4.63 1ye9I1 PHE 196 HB2 -0.26 0.04 -0.05 -0.04 3.15 2.84 1ye9I1 PHE 196 HB3 -0.49 -0.03 0.14 -0.04 3.06 2.65 1ye9I1 PHE 196 HD2 -0.82 -0.01 -0.01 -0.04 7.28 6.41 1ye9I1 PHE 196 HE2 -0.61 0.01 -0.07 -0.04 7.38 6.67 1ye9I1 PHE 196 HZ -0.90 -0.01 -0.09 -0.04 7.32 6.28 1ye9I1 ASP 197 H -0.31 0.22 0.11 -0.55 8.40 7.88 1ye9I1 ASP 197 HA -0.33 0.30 0.99 -0.75 4.63 4.84 1ye9I1 ASP 197 HB2 -0.19 -0.01 0.14 -0.04 2.71 2.60 1ye9I1 ASP 197 HB3 -0.21 0.00 -0.10 -0.04 2.70 2.35 1ye9I1 LEU 198 H -0.32 0.70 0.27 -0.55 8.37 8.47 1ye9I1 LEU 198 HA -0.51 0.16 0.90 -0.75 4.35 4.14 1ye9I1 LEU 198 HB2 -0.87 -0.01 -0.08 -0.04 1.64 0.65 1ye9I1 LEU 198 HB3 -0.09 0.04 0.15 -0.04 1.64 1.71 1ye9I1 LEU 198 HG -0.04 0.02 -0.07 -0.04 1.64 1.52 1ye9I1 LEU 198 HD13 -0.40 -0.00 -0.14 -0.04 0.93 0.35 1ye9I1 LEU 198 HD23 -0.48 -0.00 -0.09 -0.04 0.89 0.27 1ye9I1 VAL 199 H -0.16 0.26 0.03 -0.55 8.24 7.82 1ye9I1 VAL 199 HA -0.12 0.06 0.70 -0.75 4.13 4.01 1ye9I1 VAL 199 HB -0.07 0.01 0.16 -0.04 2.12 2.19 1ye9I1 VAL 199 HG13 -0.14 0.00 -0.12 -0.04 0.97 0.67 1ye9I1 VAL 199 HG23 -0.13 0.02 -0.13 -0.04 0.95 0.66 1ye9I1 GLY 200 H -0.04 0.55 0.19 -0.55 8.43 8.58 1ye9I1 GLY 200 HA2 -0.03 0.14 0.81 -0.51 4.01 4.42 1ye9I1 GLY 200 HA3 -0.00 0.08 0.18 -0.51 4.01 3.76 1ye9I1 ASN 201 H 0.05 0.30 0.25 -0.55 8.53 8.58 1ye9I1 ASN 201 HA 0.17 0.18 1.29 -0.75 4.76 5.64 1ye9I1 ASN 201 HB2 0.10 0.00 0.08 -0.04 2.88 3.02 1ye9I1 ASN 201 HB3 0.18 0.08 0.32 -0.04 2.79 3.33 1ye9I1 ASN 201 HD21 0.24 -0.05 -0.09 -0.04 7.03 7.09 1ye9I1 ASN 201 HD22 0.26 0.02 -0.03 -0.04 7.74 7.95 1ye9I1 ASN 202 H 0.21 0.40 0.31 -0.55 8.53 8.91 1ye9I1 ASN 202 HA 0.34 0.17 0.35 -0.75 4.76 4.87 1ye9I1 ASN 202 HB2 0.28 0.04 0.18 -0.04 2.88 3.33 1ye9I1 ASN 202 HB3 0.27 0.01 0.04 -0.04 2.79 3.08 1ye9I1 ASN 202 HD21 0.18 0.24 0.14 -0.04 7.03 7.55 1ye9I1 ASN 202 HD22 0.20 -0.04 0.11 -0.04 7.74 7.97 1ye9I1 THR 203 H 0.03 0.07 -0.13 -0.55 8.28 7.70 1ye9I1 THR 203 HA -0.57 0.28 0.87 -0.75 4.39 4.22 1ye9I1 THR 203 HB -1.13 -0.02 0.15 -0.04 4.32 3.28 1ye9I1 THR 203 HG23 0.02 0.01 -0.18 -0.04 1.22 1.03 1ye9I1 PRO 204 HA -1.07 0.07 0.29 -0.51 4.44 3.23 1ye9I1 PRO 204 HB2 -0.54 0.02 -0.02 -0.04 2.28 1.70 1ye9I1 PRO 204 HB3 -0.93 0.03 0.06 -0.04 2.02 1.14 1ye9I1 PRO 204 HG2 -0.96 0.02 0.04 -0.04 2.03 1.09 1ye9I1 PRO 204 HG3 -1.06 0.06 0.06 -0.04 2.03 1.04 1ye9I1 PRO 204 HD2 -2.57 0.07 0.16 -0.04 3.68 1.29 1ye9I1 PRO 204 HD3 -2.21 0.18 0.22 -0.04 3.65 1.80 1ye9I1 ILE 205 H -0.80 0.12 -0.21 -0.55 8.25 6.81 1ye9I1 ILE 205 HA -0.25 0.21 0.86 -0.75 4.18 4.24 1ye9I1 ILE 205 HB -0.14 0.01 0.08 -0.04 1.89 1.80 1ye9I1 ILE 205 HG12 -0.47 0.05 -0.58 -0.04 1.49 0.45 1ye9I1 ILE 205 HG13 -0.35 -0.02 -0.16 -0.04 1.21 0.64 1ye9I1 ILE 205 HG23 -0.15 0.00 -0.21 -0.04 0.93 0.52 1ye9I1 ILE 205 HD13 -1.15 -0.02 -0.13 -0.04 0.88 -0.46 1ye9I1 PHE 206 H -0.05 0.14 0.08 -0.55 8.34 7.96 1ye9I1 PHE 206 HA -0.34 0.25 0.92 -0.75 4.62 4.69 1ye9I1 PHE 206 HB2 -0.16 0.06 0.03 -0.04 3.15 3.03 1ye9I1 PHE 206 HB3 -0.09 0.08 0.06 -0.04 3.06 3.07 1ye9I1 PHE 206 HD2 -0.05 0.08 0.03 -0.04 7.28 7.31 1ye9I1 PHE 206 HE2 0.32 0.02 -0.04 -0.04 7.38 7.64 1ye9I1 PHE 206 HZ 0.59 0.04 -0.04 -0.04 7.32 7.86 1ye9I1 PHE 207 H -2.01 0.13 0.11 -0.55 8.34 6.02 1ye9I1 PHE 207 HA -0.37 0.12 0.62 -0.75 4.62 4.24 1ye9I1 PHE 207 HB2 -1.68 -0.03 0.07 -0.04 3.15 1.47 1ye9I1 PHE 207 HB3 -0.97 0.02 -0.02 -0.04 3.06 2.05 1ye9I1 PHE 207 HD2 -0.65 0.01 0.02 -0.04 7.28 6.62 1ye9I1 PHE 207 HE2 0.11 -0.01 -0.15 -0.04 7.38 7.30 1ye9I1 PHE 207 HZ 0.11 0.03 -0.09 -0.04 7.32 7.34 1ye9I1 ILE 208 H 0.03 0.12 -0.12 -0.55 8.25 7.73 1ye9I1 ILE 208 HA 0.04 0.21 0.80 -0.75 4.18 4.48 1ye9I1 ILE 208 HB 0.14 -0.08 -0.09 -0.04 1.89 1.83 1ye9I1 ILE 208 HG12 0.19 -0.03 -0.13 -0.04 1.49 1.47 1ye9I1 ILE 208 HG13 0.35 0.02 -0.21 -0.04 1.21 1.32 1ye9I1 ILE 208 HG23 0.01 0.01 -0.29 -0.04 0.93 0.62 1ye9I1 ILE 208 HD13 0.34 0.06 -0.33 -0.04 0.88 0.92 1ye9I1 GLN 209 H 0.08 0.08 0.10 -0.55 8.47 8.18 1ye9I1 GLN 209 HA 0.06 0.21 0.55 -0.75 4.36 4.44 1ye9I1 GLN 209 HB2 0.04 -0.05 0.13 -0.04 2.15 2.23 1ye9I1 GLN 209 HB3 0.03 0.04 0.05 -0.04 2.02 2.10 1ye9I1 GLN 209 HG2 0.03 0.07 -0.09 -0.04 2.40 2.37 1ye9I1 GLN 209 HG3 0.03 -0.05 0.02 -0.04 2.39 2.35 1ye9I1 GLN 209 HE21 0.00 0.01 0.01 -0.04 6.97 6.95 1ye9I1 GLN 209 HE22 0.01 0.04 -0.01 -0.04 7.69 7.70 1ye9I1 ASP 210 H 0.09 0.05 0.08 -0.55 8.40 8.08 1ye9I1 ASP 210 HA 0.05 0.24 0.83 -0.75 4.63 5.00 1ye9I1 ASP 210 HB2 0.04 0.07 0.02 -0.04 2.71 2.80 1ye9I1 ASP 210 HB3 0.08 -0.02 0.12 -0.04 2.70 2.84 1ye9I1 ALA 211 H 0.05 0.25 0.17 -0.55 8.40 8.32 1ye9I1 ALA 211 HA 0.08 0.09 0.31 -0.75 4.34 4.07 1ye9I1 ALA 211 HB3 -0.01 0.04 0.09 -0.04 1.41 1.49 1ye9I1 HIS 212 H 0.18 0.06 -0.23 -0.55 8.41 7.87 1ye9I1 HIS 212 HA 0.07 0.10 0.41 -0.75 4.63 4.45 1ye9I1 HIS 212 HB2 0.04 -0.01 0.08 -0.04 3.26 3.34 1ye9I1 HIS 212 HB3 0.05 -0.01 -0.02 -0.04 3.20 3.18 1ye9I1 HIS 212 HD2 0.06 -0.01 -0.17 -0.04 6.97 6.81 1ye9I1 HIS 212 HE1 0.03 0.02 0.01 -0.04 7.75 7.76 1ye9I1 LYS 213 H 0.21 0.50 -0.41 -0.55 8.42 8.18 1ye9I1 LYS 213 HA 0.20 0.15 0.66 -0.75 4.32 4.58 1ye9I1 LYS 213 HB2 0.23 0.04 0.00 -0.04 1.87 2.11 1ye9I1 LYS 213 HB3 0.30 -0.03 0.13 -0.04 1.79 2.15 1ye9I1 LYS 213 HG2 0.18 -0.08 -0.04 -0.04 1.46 1.47 1ye9I1 LYS 213 HG3 0.15 -0.04 0.03 -0.04 1.46 1.55 1ye9I1 LYS 213 HD2 0.22 0.03 -0.12 -0.04 1.69 1.79 1ye9I1 LYS 213 HD3 0.11 0.01 -0.02 -0.04 1.68 1.73 1ye9I1 LYS 213 HE2 0.11 0.03 0.01 -0.04 2.99 3.10 1ye9I1 LYS 213 HE3 0.29 -0.05 0.05 -0.04 2.99 3.24 1ye9I1 PHE 214 H 0.28 0.77 -0.23 -0.55 8.34 8.61 1ye9I1 PHE 214 HA 0.18 -0.05 0.35 -0.75 4.62 4.34 1ye9I1 PHE 214 HB2 0.08 0.03 0.17 -0.04 3.15 3.40 1ye9I1 PHE 214 HB3 0.03 0.06 0.09 -0.04 3.06 3.20 1ye9I1 PHE 214 HD2 0.19 -0.01 -0.05 -0.04 7.28 7.37 1ye9I1 PHE 214 HE2 0.32 -0.01 -0.06 -0.04 7.38 7.58 1ye9I1 PHE 214 HZ 0.18 0.02 -0.08 -0.04 7.32 7.40 1ye9I1 PRO 215 HA -0.36 0.06 0.35 -0.51 4.44 3.98 1ye9I1 PRO 215 HB2 -0.18 0.04 -0.02 -0.04 2.28 2.08 1ye9I1 PRO 215 HB3 -0.25 0.04 0.06 -0.04 2.02 1.83 1ye9I1 PRO 215 HG2 -0.07 0.07 0.04 -0.04 2.03 2.03 1ye9I1 PRO 215 HG3 0.01 0.02 0.03 -0.04 2.03 2.04 1ye9I1 PRO 215 HD2 0.01 0.28 -0.11 -0.04 3.68 3.82 1ye9I1 PRO 215 HD3 0.16 0.16 0.07 -0.04 3.65 3.99 1ye9I1 ASP 216 H -0.01 0.18 -0.35 -0.55 8.40 7.67 1ye9I1 ASP 216 HA -0.03 0.08 0.49 -0.75 4.63 4.41 1ye9I1 ASP 216 HB2 0.23 0.04 0.14 -0.04 2.71 3.07 1ye9I1 ASP 216 HB3 0.23 0.00 0.02 -0.04 2.70 2.91 1ye9I1 PHE 217 H -0.04 0.55 0.01 -0.55 8.34 8.31 1ye9I1 PHE 217 HA -1.26 0.02 0.33 -0.75 4.62 2.96 1ye9I1 PHE 217 HB2 -0.39 -0.03 0.04 -0.04 3.15 2.72 1ye9I1 PHE 217 HB3 -0.21 0.07 0.11 -0.04 3.06 3.00 1ye9I1 PHE 217 HD2 -0.38 0.03 -0.10 -0.04 7.28 6.79 1ye9I1 PHE 217 HE2 -0.44 0.01 -0.06 -0.04 7.38 6.85 1ye9I1 PHE 217 HZ -1.71 0.01 -0.05 -0.04 7.32 5.52 1ye9I1 VAL 218 H -0.29 0.79 -0.06 -0.55 8.24 8.13 1ye9I1 VAL 218 HA -0.50 -0.02 0.39 -0.75 4.13 3.25 1ye9I1 VAL 218 HB -0.47 0.05 0.06 -0.04 2.12 1.71 1ye9I1 VAL 218 HG13 -0.19 -0.00 -0.14 -0.04 0.97 0.59 1ye9I1 VAL 218 HG23 -0.99 -0.01 -0.02 -0.04 0.95 -0.11 1ye9I1 HIS 219 H -0.23 0.50 -0.28 -0.55 8.41 7.86 1ye9I1 HIS 219 HA -0.13 0.01 0.33 -0.75 4.63 4.09 1ye9I1 HIS 219 HB2 -0.10 0.13 0.24 -0.04 3.26 3.50 1ye9I1 HIS 219 HB3 -0.06 -0.08 -0.04 -0.04 3.20 2.99 1ye9I1 HIS 219 HD2 -0.08 -0.01 -0.07 -0.04 6.97 6.76 1ye9I1 HIS 219 HE1 -0.01 -0.06 -0.02 -0.04 7.75 7.62 1ye9I1 ALA 220 H -0.25 0.42 -0.26 -0.55 8.40 7.77 1ye9I1 ALA 220 HA -0.03 -0.05 0.38 -0.75 4.34 3.89 1ye9I1 ALA 220 HB3 -0.28 0.01 -0.01 -0.04 1.41 1.09 1ye9I1 VAL 221 H -0.48 0.47 -0.07 -0.55 8.24 7.60 1ye9I1 VAL 221 HA -0.16 -0.03 0.59 -0.75 4.13 3.78 1ye9I1 VAL 221 HB -0.83 -0.03 0.10 -0.04 2.12 1.31 1ye9I1 VAL 221 HG13 -0.36 0.04 -0.05 -0.04 0.97 0.56 1ye9I1 VAL 221 HG23 -0.50 -0.04 0.02 -0.04 0.95 0.40 1ye9I1 LYS 222 H -0.14 0.43 -0.12 -0.55 8.42 8.04 1ye9I1 LYS 222 HA -0.09 -0.07 0.35 -0.75 4.32 3.76 1ye9I1 LYS 222 HB2 -0.04 0.09 0.05 -0.04 1.87 1.93 1ye9I1 LYS 222 HB3 -0.06 -0.00 0.09 -0.04 1.79 1.79 1ye9I1 LYS 222 HG2 -0.12 -0.09 0.06 -0.04 1.46 1.27 1ye9I1 LYS 222 HG3 -0.03 -0.10 -0.09 -0.04 1.46 1.19 1ye9I1 LYS 222 HD2 -0.04 -0.04 0.06 -0.04 1.69 1.62 1ye9I1 LYS 222 HD3 -0.07 0.04 0.12 -0.04 1.68 1.74 1ye9I1 LYS 222 HE2 -0.06 -0.13 0.05 -0.04 2.99 2.81 1ye9I1 LYS 222 HE3 -0.03 -0.12 -0.03 -0.04 2.99 2.77 1ye9I1 PRO 223 HA -0.25 0.07 0.07 -0.51 4.44 3.82 1ye9I1 PRO 223 HB2 -0.09 0.00 -0.13 -0.04 2.28 2.02 1ye9I1 PRO 223 HB3 -0.16 -0.11 -0.52 -0.04 2.02 1.19 1ye9I1 PRO 223 HG2 -0.10 -0.04 -0.03 -0.04 2.03 1.82 1ye9I1 PRO 223 HG3 -0.14 0.24 -0.04 -0.04 2.03 2.05 1ye9I1 PRO 223 HD2 -0.07 0.09 0.14 -0.04 3.68 3.79 1ye9I1 PRO 223 HD3 -0.09 0.08 0.18 -0.04 3.65 3.77 1ye9I1 GLU 224 H -0.02 0.36 0.18 -0.55 8.60 8.57 1ye9I1 GLU 224 HA 0.09 0.29 0.54 -0.75 4.29 4.45 1ye9I1 GLU 224 HB2 0.30 -0.12 0.20 -0.04 2.09 2.43 1ye9I1 GLU 224 HB3 0.28 -0.05 0.19 -0.04 1.99 2.37 1ye9I1 GLU 224 HG2 0.30 0.13 0.07 -0.04 2.34 2.80 1ye9I1 GLU 224 HG3 0.15 0.18 0.18 -0.04 2.34 2.81 1ye9I1 PRO 225 HA 0.00 0.17 0.22 -0.51 4.44 4.32 1ye9I1 PRO 225 HB2 0.03 0.01 -0.04 -0.04 2.28 2.24 1ye9I1 PRO 225 HB3 -0.05 0.07 0.08 -0.04 2.02 2.08 1ye9I1 PRO 225 HG2 0.06 -0.01 0.07 -0.04 2.03 2.11 1ye9I1 PRO 225 HG3 -0.01 0.09 0.08 -0.04 2.03 2.14 1ye9I1 PRO 225 HD2 0.21 -0.01 0.21 -0.04 3.68 4.06 1ye9I1 PRO 225 HD3 0.08 0.27 0.25 -0.04 3.65 4.21 1ye9I1 HIS 226 H 0.37 0.04 -0.15 -0.55 8.41 8.14 1ye9I1 HIS 226 HA 0.01 0.15 0.52 -0.75 4.63 4.56 1ye9I1 HIS 226 HB2 -0.07 0.04 0.03 -0.04 3.26 3.22 1ye9I1 HIS 226 HB3 -0.07 0.00 0.07 -0.04 3.20 3.16 1ye9I1 HIS 226 HD2 -0.56 0.03 -0.04 -0.04 6.97 6.36 1ye9I1 HIS 226 HE1 -0.17 0.01 0.06 -0.04 7.75 7.61 1ye9I1 TRP 227 H -0.25 -0.01 -0.11 -0.55 7.97 7.05 1ye9I1 TRP 227 HA -0.13 0.31 0.88 -0.75 4.62 4.93 1ye9I1 TRP 227 HB2 -0.13 0.04 0.06 -0.04 3.23 3.16 1ye9I1 TRP 227 HB3 -0.14 -0.02 -0.13 -0.04 3.23 2.91 1ye9I1 TRP 227 HD1 -0.63 -0.03 0.03 -0.04 7.22 6.55 1ye9I1 TRP 227 HE1 -0.15 0.11 0.06 -0.04 10.20 10.18 1ye9I1 TRP 227 HE3 -0.02 0.02 -0.03 -0.04 7.59 7.53 1ye9I1 TRP 227 HZ2 0.03 -0.00 -0.02 -0.04 7.44 7.41 1ye9I1 TRP 227 HZ3 0.01 0.00 -0.01 -0.04 7.13 7.09 1ye9I1 TRP 227 HH2 0.03 0.00 -0.01 -0.04 7.19 7.17 1ye9I1 ALA 228 H 0.06 0.33 -0.10 -0.55 8.40 8.15 1ye9I1 ALA 228 HA -0.07 0.16 0.21 -0.75 4.34 3.88 1ye9I1 ALA 228 HB3 -0.07 0.03 0.03 -0.04 1.41 1.36 1ye9I1 ILE 229 H -0.23 0.15 0.07 -0.55 8.25 7.70 1ye9I1 ILE 229 HA -0.38 0.06 0.69 -0.75 4.18 3.80 1ye9I1 ILE 229 HB -2.02 -0.09 -0.06 -0.04 1.89 -0.32 1ye9I1 ILE 229 HG12 -0.55 0.04 -0.04 -0.04 1.49 0.89 1ye9I1 ILE 229 HG13 -0.80 0.17 -0.66 -0.04 1.21 -0.13 1ye9I1 ILE 229 HG23 -0.61 -0.01 -0.12 -0.04 0.93 0.15 1ye9I1 ILE 229 HD13 -1.21 -0.02 -0.06 -0.04 0.88 -0.45 1ye9I1 PRO 230 HA -0.29 0.05 0.40 -0.51 4.44 4.10 1ye9I1 PRO 230 HB2 -0.13 0.14 -0.09 -0.04 2.28 2.16 1ye9I1 PRO 230 HB3 -0.15 0.02 0.04 -0.04 2.02 1.88 1ye9I1 PRO 230 HG2 -0.19 0.08 -0.17 -0.04 2.03 1.71 1ye9I1 PRO 230 HG3 -0.07 0.03 -0.16 -0.04 2.03 1.79 1ye9I1 PRO 230 HD2 -0.98 0.22 0.17 -0.04 3.68 3.05 1ye9I1 PRO 230 HD3 -0.39 0.05 0.16 -0.04 3.65 3.44 1ye9I1 GLN 231 H -0.16 0.14 0.14 -0.55 8.47 8.04 1ye9I1 GLN 231 HA -0.11 0.15 0.80 -0.75 4.36 4.44 1ye9I1 GLN 231 HB2 -0.11 0.06 0.14 -0.04 2.15 2.19 1ye9I1 GLN 231 HB3 -0.08 0.01 0.11 -0.04 2.02 2.02 1ye9I1 GLN 231 HG2 -0.06 0.03 0.04 -0.04 2.40 2.36 1ye9I1 GLN 231 HG3 -0.06 -0.06 0.05 -0.04 2.39 2.28 1ye9I1 GLN 231 HE21 -0.09 0.07 -0.01 -0.04 6.97 6.90 1ye9I1 GLN 231 HE22 -0.11 0.02 -0.01 -0.04 7.69 7.55 1ye9I1 GLY 232 H -0.08 0.16 0.08 -0.55 8.43 8.05 1ye9I1 GLY 232 HA2 -0.05 -0.09 0.30 -0.51 4.01 3.66 1ye9I1 GLY 232 HA3 -0.04 0.02 0.28 -0.51 4.01 3.76 1ye9I1 GLN 233 H -0.08 0.30 -0.15 -0.55 8.47 8.00 1ye9I1 GLN 233 HA -0.03 0.19 0.86 -0.75 4.36 4.63 1ye9I1 GLN 233 HB2 -0.04 0.00 -0.19 -0.04 2.15 1.89 1ye9I1 GLN 233 HB3 0.03 -0.19 0.04 -0.04 2.02 1.86 1ye9I1 GLN 233 HG2 -0.01 0.08 0.00 -0.04 2.40 2.43 1ye9I1 GLN 233 HG3 -0.04 0.32 -0.43 -0.04 2.39 2.20 1ye9I1 GLN 233 HE21 -0.05 -0.04 0.02 -0.04 6.97 6.85 1ye9I1 GLN 233 HE22 -0.07 0.07 0.00 -0.04 7.69 7.65 1ye9I1 SER 234 H -0.08 0.22 0.18 -0.55 8.46 8.24 1ye9I1 SER 234 HA -0.51 0.29 0.87 -0.75 4.49 4.38 1ye9I1 SER 234 HB2 -0.62 -0.01 0.02 -0.04 3.95 3.30 1ye9I1 SER 234 HB3 -2.17 -0.00 0.14 -0.04 3.93 1.85 1ye9I1 ALA 235 H 0.13 0.03 -0.17 -0.55 8.40 7.84 1ye9I1 ALA 235 HA 0.49 0.12 0.17 -0.75 4.34 4.36 1ye9I1 ALA 235 HB3 0.15 0.01 0.14 -0.04 1.41 1.68 1ye9I1 HIS 236 H 0.23 0.71 0.22 -0.55 8.41 9.03 1ye9I1 HIS 236 HA 0.21 0.12 0.61 -0.75 4.63 4.82 1ye9I1 HIS 236 HB2 0.19 -0.14 0.14 -0.04 3.26 3.42 1ye9I1 HIS 236 HB3 0.14 0.12 -0.14 -0.04 3.20 3.27 1ye9I1 HIS 236 HD2 -0.01 -0.25 -0.67 -0.04 6.97 6.00 1ye9I1 HIS 236 HE1 0.00 0.36 -0.10 -0.04 7.75 7.97 1ye9I1 ASP 237 H 0.27 0.17 0.17 -0.55 8.40 8.46 1ye9I1 ASP 237 HA 0.20 0.06 0.16 -0.75 4.63 4.30 1ye9I1 ASP 237 HB2 0.15 -0.01 0.18 -0.04 2.71 2.99 1ye9I1 ASP 237 HB3 0.10 0.03 0.01 -0.04 2.70 2.81 1ye9I1 THR 238 H 0.15 0.14 -0.00 -0.55 8.28 8.02 1ye9I1 THR 238 HA 0.05 -0.02 0.30 -0.75 4.39 3.97 1ye9I1 THR 238 HB 0.05 -0.02 0.10 -0.04 4.32 4.41 1ye9I1 THR 238 HG23 0.14 -0.03 0.10 -0.04 1.22 1.39 1ye9I1 PHE 239 H -0.43 0.21 -0.17 -0.55 8.34 7.40 1ye9I1 PHE 239 HA -0.40 -0.02 0.27 -0.75 4.62 3.72 1ye9I1 PHE 239 HB2 -0.66 0.16 0.16 -0.04 3.15 2.77 1ye9I1 PHE 239 HB3 -0.68 0.16 0.26 -0.04 3.06 2.77 1ye9I1 PHE 239 HD2 -1.66 0.04 -0.02 -0.04 7.28 5.59 1ye9I1 PHE 239 HE2 -1.36 -0.03 -0.04 -0.04 7.38 5.91 1ye9I1 PHE 239 HZ -0.44 -0.02 -0.04 -0.04 7.32 6.77 1ye9I1 TRP 240 H 0.12 0.43 -0.04 -0.55 7.97 7.93 1ye9I1 TRP 240 HA -0.23 0.00 0.38 -0.75 4.62 4.02 1ye9I1 TRP 240 HB2 0.03 0.06 0.04 -0.04 3.23 3.32 1ye9I1 TRP 240 HB3 0.01 -0.03 0.03 -0.04 3.23 3.20 1ye9I1 TRP 240 HD1 0.13 0.05 0.05 -0.04 7.22 7.40 1ye9I1 TRP 240 HE1 0.15 -0.06 -0.14 -0.04 10.20 10.11 1ye9I1 TRP 240 HE3 -0.01 -0.04 0.00 -0.04 7.59 7.49 1ye9I1 TRP 240 HZ2 0.21 0.01 -0.07 -0.04 7.44 7.54 1ye9I1 TRP 240 HZ3 0.09 -0.01 -0.06 -0.04 7.13 7.10 1ye9I1 TRP 240 HH2 0.21 0.03 -0.07 -0.04 7.19 7.32 1ye9I1 ASP 241 H 0.08 0.61 -0.18 -0.55 8.40 8.36 1ye9I1 ASP 241 HA 0.07 0.02 0.54 -0.75 4.63 4.50 1ye9I1 ASP 241 HB2 0.07 0.05 0.03 -0.04 2.71 2.82 1ye9I1 ASP 241 HB3 0.05 0.12 0.14 -0.04 2.70 2.98 1ye9I1 TYR 242 H 0.04 0.69 -0.01 -0.55 8.29 8.45 1ye9I1 TYR 242 HA -0.05 -0.02 0.30 -0.75 4.56 4.04 1ye9I1 TYR 242 HB2 -0.11 0.05 0.14 -0.04 3.06 3.11 1ye9I1 TYR 242 HB3 -0.26 0.17 0.18 -0.04 2.98 3.03 1ye9I1 TYR 242 HD2 -0.03 0.04 -0.17 -0.04 7.15 6.96 1ye9I1 TYR 242 HE2 0.06 -0.03 -0.08 -0.04 6.85 6.76 1ye9I1 VAL 243 H -0.23 0.59 -0.10 -0.55 8.24 7.94 1ye9I1 VAL 243 HA -0.09 0.01 0.33 -0.75 4.13 3.63 1ye9I1 VAL 243 HB -0.25 0.02 0.10 -0.04 2.12 1.95 1ye9I1 VAL 243 HG13 0.13 -0.01 -0.20 -0.04 0.97 0.84 1ye9I1 VAL 243 HG23 -0.95 0.02 -0.03 -0.04 0.95 -0.05 1ye9I1 SER 244 H 0.03 0.47 -0.40 -0.55 8.46 8.01 1ye9I1 SER 244 HA 0.05 -0.02 0.24 -0.75 4.49 4.01 1ye9I1 SER 244 HB2 0.04 -0.11 0.11 -0.04 3.95 3.95 1ye9I1 SER 244 HB3 0.09 0.21 0.20 -0.04 3.93 4.39 1ye9I1 LEU 245 H -0.10 0.40 -0.52 -0.55 8.37 7.60 1ye9I1 LEU 245 HA -0.05 0.13 0.89 -0.75 4.35 4.57 1ye9I1 LEU 245 HB2 -0.14 0.09 0.03 -0.04 1.64 1.58 1ye9I1 LEU 245 HB3 -0.09 -0.09 0.14 -0.04 1.64 1.55 1ye9I1 LEU 245 HG -0.03 0.00 -0.21 -0.04 1.64 1.37 1ye9I1 LEU 245 HD13 -0.03 -0.01 -0.07 -0.04 0.93 0.79 1ye9I1 LEU 245 HD23 -0.02 -0.02 0.02 -0.04 0.89 0.83 1ye9I1 GLN 246 H -0.15 0.37 -0.24 -0.55 8.47 7.91 1ye9I1 GLN 246 HA -0.12 0.12 0.80 -0.75 4.36 4.40 1ye9I1 GLN 246 HB2 -0.36 0.16 0.18 -0.04 2.15 2.08 1ye9I1 GLN 246 HB3 -0.15 -0.17 0.17 -0.04 2.02 1.82 1ye9I1 GLN 246 HG2 -0.53 0.05 -0.37 -0.04 2.40 1.51 1ye9I1 GLN 246 HG3 -1.17 -0.07 -0.02 -0.04 2.39 1.09 1ye9I1 GLN 246 HE21 -0.08 -0.11 0.11 -0.04 6.97 6.84 1ye9I1 GLN 246 HE22 -0.15 0.63 0.27 -0.04 7.69 8.40 1ye9I1 PRO 247 HA 0.02 0.13 0.40 -0.51 4.44 4.47 1ye9I1 PRO 247 HB2 0.01 -0.01 -0.03 -0.04 2.28 2.20 1ye9I1 PRO 247 HB3 0.01 0.06 0.08 -0.04 2.02 2.13 1ye9I1 PRO 247 HG2 -0.01 -0.01 0.05 -0.04 2.03 2.01 1ye9I1 PRO 247 HG3 -0.01 0.09 0.03 -0.04 2.03 2.09 1ye9I1 PRO 247 HD2 -0.05 0.17 -0.03 -0.04 3.68 3.72 1ye9I1 PRO 247 HD3 -0.04 0.22 -0.26 -0.04 3.65 3.53 1ye9I1 GLU 248 H -0.00 0.11 -0.20 -0.55 8.60 7.96 1ye9I1 GLU 248 HA 0.03 0.01 0.43 -0.75 4.29 4.00 1ye9I1 GLU 248 HB2 0.03 -0.01 0.03 -0.04 2.09 2.10 1ye9I1 GLU 248 HB3 0.01 -0.02 0.10 -0.04 1.99 2.04 1ye9I1 GLU 248 HG2 -0.01 -0.04 -0.04 -0.04 2.34 2.21 1ye9I1 GLU 248 HG3 0.03 0.20 -0.02 -0.04 2.34 2.51 1ye9I1 THR 249 H 0.04 0.53 -0.28 -0.55 8.28 8.02 1ye9I1 THR 249 HA 0.08 0.27 0.65 -0.75 4.39 4.63 1ye9I1 THR 249 HB 0.19 -0.14 0.11 -0.04 4.32 4.43 1ye9I1 THR 249 HG23 0.11 0.04 0.04 -0.04 1.22 1.37 1ye9I1 LEU 250 H 0.08 0.79 -0.05 -0.55 8.37 8.64 1ye9I1 LEU 250 HA 0.16 -0.01 0.32 -0.75 4.35 4.07 1ye9I1 LEU 250 HB2 0.09 0.03 0.11 -0.04 1.64 1.83 1ye9I1 LEU 250 HB3 0.12 -0.05 0.04 -0.04 1.64 1.71 1ye9I1 LEU 250 HG 0.08 0.08 0.19 -0.04 1.64 1.95 1ye9I1 LEU 250 HD13 0.05 -0.01 0.06 -0.04 0.93 0.99 1ye9I1 LEU 250 HD23 0.13 -0.01 -0.01 -0.04 0.89 0.96 1ye9I1 HIS 251 H 0.18 0.27 -0.25 -0.55 8.41 8.07 1ye9I1 HIS 251 HA 0.12 0.03 0.32 -0.75 4.63 4.35 1ye9I1 HIS 251 HB2 0.04 0.02 0.09 -0.04 3.26 3.37 1ye9I1 HIS 251 HB3 -0.01 0.07 0.05 -0.04 3.20 3.27 1ye9I1 HIS 251 HD2 0.27 -0.03 0.08 -0.04 6.97 7.24 1ye9I1 HIS 251 HE1 0.06 0.02 -0.06 -0.04 7.75 7.72 1ye9I1 ASN 252 H -0.02 0.30 -0.12 -0.55 8.53 8.14 1ye9I1 ASN 252 HA -0.23 0.02 0.45 -0.75 4.76 4.25 1ye9I1 ASN 252 HB2 -0.56 0.22 -0.34 -0.04 2.88 2.17 1ye9I1 ASN 252 HB3 -1.23 -0.01 -0.19 -0.04 2.79 1.32 1ye9I1 ASN 252 HD21 -0.54 -0.00 0.01 -0.04 7.03 6.45 1ye9I1 ASN 252 HD22 -1.71 -0.16 -0.13 -0.04 7.74 5.70 1ye9I1 VAL 253 H 0.20 0.53 -0.27 -0.55 8.24 8.15 1ye9I1 VAL 253 HA 0.47 0.01 0.37 -0.75 4.13 4.22 1ye9I1 VAL 253 HB 0.25 0.10 0.09 -0.04 2.12 2.52 1ye9I1 VAL 253 HG13 0.41 -0.01 -0.16 -0.04 0.97 1.16 1ye9I1 VAL 253 HG23 0.23 0.05 -0.09 -0.04 0.95 1.10 1ye9I1 MET 254 H 0.23 0.61 -0.18 -0.55 8.47 8.58 1ye9I1 MET 254 HA 0.16 0.00 0.33 -0.75 4.52 4.26 1ye9I1 MET 254 HB2 0.23 0.24 0.23 -0.04 2.15 2.81 1ye9I1 MET 254 HB3 0.13 -0.03 0.12 -0.04 2.03 2.21 1ye9I1 MET 254 HG2 0.09 -0.02 0.02 -0.04 2.63 2.68 1ye9I1 MET 254 HG3 0.01 -0.04 -0.02 -0.04 2.56 2.47 1ye9I1 MET 254 HE3 0.03 -0.01 -0.02 -0.04 2.10 2.06 1ye9I1 TRP 255 H 0.42 0.37 -0.09 -0.55 7.97 8.13 1ye9I1 TRP 255 HA 0.02 -0.05 0.36 -0.75 4.62 4.19 1ye9I1 TRP 255 HB2 -0.13 0.12 0.12 -0.04 3.23 3.30 1ye9I1 TRP 255 HB3 -0.05 -0.01 -0.03 -0.04 3.23 3.10 1ye9I1 TRP 255 HD1 -0.26 0.39 0.11 -0.04 7.22 7.41 1ye9I1 TRP 255 HE1 -0.12 -0.02 -0.01 -0.04 10.20 10.01 1ye9I1 TRP 255 HE3 -0.01 0.01 0.06 -0.04 7.59 7.61 1ye9I1 TRP 255 HZ2 -0.03 -0.00 0.01 -0.04 7.44 7.38 1ye9I1 TRP 255 HZ3 0.06 0.04 0.07 -0.04 7.13 7.26 1ye9I1 TRP 255 HH2 0.01 0.01 0.03 -0.04 7.19 7.20 1ye9I1 ALA 256 H 0.25 0.53 -0.34 -0.55 8.40 8.30 1ye9I1 ALA 256 HA 0.20 -0.04 0.24 -0.75 4.34 3.99 1ye9I1 ALA 256 HB3 0.28 0.03 0.06 -0.04 1.41 1.74 1ye9I1 MET 257 H 0.20 0.49 -0.25 -0.55 8.47 8.36 1ye9I1 MET 257 HA 0.16 0.02 0.47 -0.75 4.52 4.42 1ye9I1 MET 257 HB2 0.15 0.04 0.07 -0.04 2.15 2.37 1ye9I1 MET 257 HB3 0.15 -0.10 0.09 -0.04 2.03 2.13 1ye9I1 MET 257 HG2 0.33 0.25 0.00 -0.04 2.63 3.17 1ye9I1 MET 257 HG3 0.33 -0.11 -0.08 -0.04 2.56 2.66 1ye9I1 MET 257 HE3 0.29 -0.01 -0.21 -0.04 2.10 2.13 1ye9I1 SER 258 H 0.10 0.31 -0.21 -0.55 8.46 8.11 1ye9I1 SER 258 HA 0.01 0.02 0.47 -0.75 4.49 4.23 1ye9I1 SER 258 HB2 -0.10 -0.08 0.19 -0.04 3.95 3.92 1ye9I1 SER 258 HB3 -0.07 0.08 0.17 -0.04 3.93 4.07 1ye9I1 ASP 259 H 0.01 0.09 0.16 -0.55 8.40 8.12 1ye9I1 ASP 259 HA 0.06 0.26 0.73 -0.75 4.63 4.92 1ye9I1 ASP 259 HB2 0.03 -0.04 0.10 -0.04 2.71 2.75 1ye9I1 ASP 259 HB3 0.04 0.03 0.09 -0.04 2.70 2.82 1ye9I1 ARG 260 H 0.10 0.08 -0.09 -0.55 8.46 8.00 1ye9I1 ARG 260 HA 0.16 0.11 0.60 -0.75 4.34 4.45 1ye9I1 ARG 260 HB2 0.39 0.06 0.01 -0.04 1.90 2.31 1ye9I1 ARG 260 HB3 0.35 0.07 0.14 -0.04 1.80 2.32 1ye9I1 ARG 260 HG2 0.09 -0.09 0.09 -0.04 1.67 1.72 1ye9I1 ARG 260 HG3 0.45 0.02 0.08 -0.04 1.67 2.17 1ye9I1 ARG 260 HD2 0.18 0.07 0.01 -0.04 3.22 3.43 1ye9I1 ARG 260 HD3 0.10 -0.06 -0.04 -0.04 3.22 3.17 1ye9I1 GLY 261 H 0.13 0.15 -0.67 -0.55 8.43 7.50 1ye9I1 GLY 261 HA2 0.15 0.09 0.52 -0.51 4.01 4.26 1ye9I1 GLY 261 HA3 0.13 0.31 0.30 -0.51 4.01 4.24 1ye9I1 ILE 262 H 0.09 0.21 -0.52 -0.55 8.25 7.48 1ye9I1 ILE 262 HA 0.05 0.28 0.72 -0.75 4.18 4.48 1ye9I1 ILE 262 HB 0.03 -0.04 0.10 -0.04 1.89 1.94 1ye9I1 ILE 262 HG12 0.06 0.06 -0.05 -0.04 1.49 1.52 1ye9I1 ILE 262 HG13 0.06 0.09 0.06 -0.04 1.21 1.38 1ye9I1 ILE 262 HG23 0.05 0.01 -0.23 -0.04 0.93 0.71 1ye9I1 ILE 262 HD13 0.03 -0.04 0.03 -0.04 0.88 0.87 1ye9I1 PRO 263 HA 0.04 0.03 0.27 -0.51 4.44 4.26 1ye9I1 PRO 263 HB2 0.01 -0.02 -0.07 -0.04 2.28 2.16 1ye9I1 PRO 263 HB3 0.08 0.03 0.10 -0.04 2.02 2.19 1ye9I1 PRO 263 HG2 0.06 -0.02 -0.09 -0.04 2.03 1.93 1ye9I1 PRO 263 HG3 0.13 0.05 0.01 -0.04 2.03 2.17 1ye9I1 PRO 263 HD2 0.07 0.20 -0.10 -0.04 3.68 3.81 1ye9I1 PRO 263 HD3 0.11 0.24 -0.29 -0.04 3.65 3.67 1ye9I1 ARG 264 H -0.02 0.05 0.17 -0.55 8.46 8.11 1ye9I1 ARG 264 HA -0.06 0.30 0.94 -0.75 4.34 4.77 1ye9I1 ARG 264 HB2 -0.04 -0.03 0.12 -0.04 1.90 1.90 1ye9I1 ARG 264 HB3 -0.02 0.08 0.04 -0.04 1.80 1.86 1ye9I1 ARG 264 HG2 -0.01 0.01 0.10 -0.04 1.67 1.73 1ye9I1 ARG 264 HG3 -0.03 -0.05 0.01 -0.04 1.67 1.56 1ye9I1 ARG 264 HD2 -0.02 0.01 0.02 -0.04 3.22 3.19 1ye9I1 ARG 264 HD3 -0.01 0.00 0.01 -0.04 3.22 3.19 1ye9I1 SER 265 H -0.09 0.18 0.06 -0.55 8.46 8.06 1ye9I1 SER 265 HA -0.33 0.19 0.17 -0.75 4.49 3.76 1ye9I1 SER 265 HB2 -0.19 -0.00 0.18 -0.04 3.95 3.90 1ye9I1 SER 265 HB3 -0.12 0.14 -0.14 -0.04 3.93 3.77 1ye9I1 TYR 266 H -0.51 0.19 0.08 -0.55 8.29 7.50 1ye9I1 TYR 266 HA -0.44 0.18 0.54 -0.75 4.56 4.09 1ye9I1 TYR 266 HB2 -0.73 -0.02 0.05 -0.04 3.06 2.32 1ye9I1 TYR 266 HB3 -1.98 0.07 0.03 -0.04 2.98 1.05 1ye9I1 TYR 266 HD2 -0.23 0.02 -0.04 -0.04 7.15 6.86 1ye9I1 TYR 266 HE2 -0.01 0.05 -0.09 -0.04 6.85 6.75 1ye9I1 ARG 267 H -0.19 0.05 -0.09 -0.55 8.46 7.68 1ye9I1 ARG 267 HA -0.13 0.07 0.34 -0.75 4.34 3.87 1ye9I1 ARG 267 HB2 -0.10 -0.08 0.03 -0.04 1.90 1.71 1ye9I1 ARG 267 HB3 -0.06 0.05 -0.18 -0.04 1.80 1.57 1ye9I1 ARG 267 HG2 -0.05 0.02 0.03 -0.04 1.67 1.63 1ye9I1 ARG 267 HG3 -0.07 -0.00 0.03 -0.04 1.67 1.59 1ye9I1 ARG 267 HD2 -0.04 0.01 -0.01 -0.04 3.22 3.13 1ye9I1 ARG 267 HD3 -0.03 0.01 -0.05 -0.04 3.22 3.10 1ye9I1 THR 268 H -0.08 0.12 -0.63 -0.55 8.28 7.14 1ye9I1 THR 268 HA 0.01 0.13 0.74 -0.75 4.39 4.52 1ye9I1 THR 268 HB 0.02 0.03 0.21 -0.04 4.32 4.54 1ye9I1 THR 268 HG23 -0.00 -0.02 -0.08 -0.04 1.22 1.08 1ye9I1 MET 269 H -0.04 0.51 -0.26 -0.55 8.47 8.13 1ye9I1 MET 269 HA 0.10 0.10 0.95 -0.75 4.52 4.91 1ye9I1 MET 269 HB2 0.01 -0.02 0.10 -0.04 2.15 2.20 1ye9I1 MET 269 HB3 -0.04 0.03 0.11 -0.04 2.03 2.08 1ye9I1 MET 269 HG2 0.24 0.46 -0.00 -0.04 2.63 3.28 1ye9I1 MET 269 HG3 0.17 -0.08 0.14 -0.04 2.56 2.75 1ye9I1 MET 269 HE3 0.05 0.02 -0.05 -0.04 2.10 2.08 1ye9I1 GLU 270 H 0.19 0.08 0.24 -0.55 8.60 8.56 1ye9I1 GLU 270 HA 0.11 0.20 0.72 -0.75 4.29 4.57 1ye9I1 GLU 270 HB2 0.30 0.08 0.12 -0.04 2.09 2.55 1ye9I1 GLU 270 HB3 -0.13 -0.02 0.19 -0.04 1.99 1.99 1ye9I1 GLU 270 HG2 0.17 -0.00 0.04 -0.04 2.34 2.50 1ye9I1 GLU 270 HG3 0.27 -0.01 0.12 -0.04 2.34 2.69 1ye9I1 GLY 271 H -0.45 0.35 0.30 -0.55 8.43 8.09 1ye9I1 GLY 271 HA2 0.01 0.22 0.58 -0.51 4.01 4.31 1ye9I1 GLY 271 HA3 -0.24 -0.01 0.15 -0.51 4.01 3.40 1ye9I1 PHE 272 H 0.05 0.59 0.16 -0.55 8.34 8.58 1ye9I1 PHE 272 HA -0.23 0.29 1.03 -0.75 4.62 4.96 1ye9I1 PHE 272 HB2 -0.19 0.15 0.01 -0.04 3.15 3.08 1ye9I1 PHE 272 HB3 -0.29 -0.01 0.02 -0.04 3.06 2.74 1ye9I1 PHE 272 HD2 -0.38 0.10 -0.28 -0.04 7.28 6.67 1ye9I1 PHE 272 HE2 0.07 0.21 -0.18 -0.04 7.38 7.44 1ye9I1 PHE 272 HZ 0.12 -0.01 -0.03 -0.04 7.32 7.36 1ye9I1 GLY 273 H 0.02 0.56 0.16 -0.55 8.43 8.63 1ye9I1 GLY 273 HA2 0.08 0.09 0.32 -0.51 4.01 3.99 1ye9I1 GLY 273 HA3 0.28 -0.05 0.36 -0.51 4.01 4.09 1ye9I1 ILE 274 H 0.02 0.08 -1.23 -0.55 8.25 6.56 1ye9I1 ILE 274 HA -0.13 0.17 0.31 -0.75 4.18 3.76 1ye9I1 ILE 274 HB -0.34 -0.00 -0.11 -0.04 1.89 1.39 1ye9I1 ILE 274 HG12 -0.25 0.06 -0.67 -0.04 1.49 0.59 1ye9I1 ILE 274 HG13 -0.12 0.11 -0.06 -0.04 1.21 1.10 1ye9I1 ILE 274 HG23 -0.33 -0.02 -0.13 -0.04 0.93 0.40 1ye9I1 ILE 274 HD13 -0.09 -0.02 -0.26 -0.04 0.88 0.46 1ye9I1 HIS 275 H -0.09 0.95 0.66 -0.55 8.41 9.39 1ye9I1 HIS 275 HA -0.11 0.03 0.52 -0.75 4.63 4.32 1ye9I1 HIS 275 HB2 -0.67 -0.01 0.01 -0.04 3.26 2.54 1ye9I1 HIS 275 HB3 -0.40 0.02 0.07 -0.04 3.20 2.84 1ye9I1 HIS 275 HD2 0.06 0.06 0.12 -0.04 6.97 7.17 1ye9I1 HIS 275 HE1 -0.13 -0.03 0.01 -0.04 7.75 7.56 1ye9I1 THR 276 H -0.07 0.08 0.20 -0.55 8.28 7.95 1ye9I1 THR 276 HA -0.01 0.24 0.86 -0.75 4.39 4.72 1ye9I1 THR 276 HB -0.16 -0.06 0.22 -0.04 4.32 4.29 1ye9I1 THR 276 HG23 -0.12 0.02 -0.02 -0.04 1.22 1.05 1ye9I1 PHE 277 H 0.16 0.62 0.32 -0.55 8.34 8.88 1ye9I1 PHE 277 HA 0.06 0.14 0.80 -0.75 4.62 4.86 1ye9I1 PHE 277 HB2 -0.13 0.00 0.01 -0.04 3.15 2.99 1ye9I1 PHE 277 HB3 0.10 -0.07 0.18 -0.04 3.06 3.23 1ye9I1 PHE 277 HD2 0.07 0.08 0.01 -0.04 7.28 7.39 1ye9I1 PHE 277 HE2 0.19 0.09 0.08 -0.04 7.38 7.69 1ye9I1 PHE 277 HZ 0.19 0.01 0.07 -0.04 7.32 7.56 1ye9I1 ARG 278 H 0.26 0.19 0.18 -0.55 8.46 8.54 1ye9I1 ARG 278 HA 0.08 0.29 1.04 -0.75 4.34 5.00 1ye9I1 ARG 278 HB2 0.07 -0.04 0.02 -0.04 1.90 1.91 1ye9I1 ARG 278 HB3 -0.02 0.02 -0.15 -0.04 1.80 1.61 1ye9I1 ARG 278 HG2 -0.12 0.02 -0.21 -0.04 1.67 1.32 1ye9I1 ARG 278 HG3 0.18 -0.00 -0.27 -0.04 1.67 1.53 1ye9I1 ARG 278 HD2 -0.06 -0.00 -0.10 -0.04 3.22 3.02 1ye9I1 ARG 278 HD3 -0.22 -0.00 -0.12 -0.04 3.22 2.84 1ye9I1 LEU 279 H -0.03 0.98 0.33 -0.55 8.37 9.10 1ye9I1 LEU 279 HA -0.01 0.05 0.79 -0.75 4.35 4.43 1ye9I1 LEU 279 HB2 -0.04 0.04 0.13 -0.04 1.64 1.73 1ye9I1 LEU 279 HB3 -0.04 0.04 -0.14 -0.04 1.64 1.46 1ye9I1 LEU 279 HG -0.02 -0.00 -0.23 -0.04 1.64 1.35 1ye9I1 LEU 279 HD13 -0.02 -0.01 -0.11 -0.04 0.93 0.75 1ye9I1 LEU 279 HD23 0.03 0.02 -0.02 -0.04 0.89 0.87 1ye9I1 ILE 280 H -0.03 0.15 0.13 -0.55 8.25 7.94 1ye9I1 ILE 280 HA -0.05 0.32 0.96 -0.75 4.18 4.66 1ye9I1 ILE 280 HB -0.03 -0.06 0.11 -0.04 1.89 1.88 1ye9I1 ILE 280 HG12 -0.01 -0.00 -0.19 -0.04 1.49 1.25 1ye9I1 ILE 280 HG13 -0.02 0.03 -0.11 -0.04 1.21 1.07 1ye9I1 ILE 280 HG23 -0.03 0.00 -0.13 -0.04 0.93 0.73 1ye9I1 ILE 280 HD13 -0.05 0.01 -0.58 -0.04 0.88 0.21 1ye9I1 ASN 281 H -0.04 0.53 0.18 -0.55 8.53 8.65 1ye9I1 ASN 281 HA -0.04 -0.08 0.60 -0.75 4.76 4.49 1ye9I1 ASN 281 HB2 -0.03 0.12 -0.15 -0.04 2.88 2.78 1ye9I1 ASN 281 HB3 -0.04 0.19 -0.34 -0.04 2.79 2.57 1ye9I1 ASN 281 HD21 -0.03 -0.10 0.03 -0.04 7.03 6.89 1ye9I1 ASN 281 HD22 -0.03 0.31 0.14 -0.04 7.74 8.11 1ye9I1 ALA 282 H -0.03 0.31 0.06 -0.55 8.40 8.19 1ye9I1 ALA 282 HA -0.02 0.09 0.22 -0.75 4.34 3.88 1ye9I1 ALA 282 HB3 -0.02 0.03 0.10 -0.04 1.41 1.48 1ye9I1 GLU 283 H -0.02 0.02 -0.49 -0.55 8.60 7.56 1ye9I1 GLU 283 HA -0.02 0.22 0.86 -0.75 4.29 4.60 1ye9I1 GLU 283 HB2 -0.02 -0.03 0.01 -0.04 2.09 2.00 1ye9I1 GLU 283 HB3 -0.02 0.02 -0.04 -0.04 1.99 1.91 1ye9I1 GLU 283 HG2 -0.02 0.00 0.02 -0.04 2.34 2.31 1ye9I1 GLU 283 HG3 -0.01 0.05 0.05 -0.04 2.34 2.39 1ye9I1 GLY 284 H -0.03 0.79 -0.03 -0.55 8.43 8.61 1ye9I1 GLY 284 HA2 -0.03 0.03 0.25 -0.51 4.01 3.74 1ye9I1 GLY 284 HA3 -0.02 0.07 0.41 -0.51 4.01 3.96 1ye9I1 LYS 285 H -0.04 -0.01 -0.13 -0.55 8.42 7.69 1ye9I1 LYS 285 HA -0.05 0.13 0.80 -0.75 4.32 4.45 1ye9I1 LYS 285 HB2 -0.04 0.03 0.01 -0.04 1.87 1.83 1ye9I1 LYS 285 HB3 -0.04 -0.09 0.10 -0.04 1.79 1.72 1ye9I1 LYS 285 HG2 -0.04 -0.01 -0.06 -0.04 1.46 1.31 1ye9I1 LYS 285 HG3 -0.07 0.12 -0.33 -0.04 1.46 1.14 1ye9I1 LYS 285 HD2 -0.06 0.05 0.02 -0.04 1.69 1.67 1ye9I1 LYS 285 HD3 -0.04 -0.01 0.03 -0.04 1.68 1.61 1ye9I1 LYS 285 HE2 -0.03 -0.00 0.00 -0.04 2.99 2.91 1ye9I1 LYS 285 HE3 -0.03 -0.02 -0.00 -0.04 2.99 2.90 1ye9I1 ALA 286 H -0.10 0.15 0.17 -0.55 8.40 8.08 1ye9I1 ALA 286 HA -0.10 0.32 0.82 -0.75 4.34 4.62 1ye9I1 ALA 286 HB3 -0.17 -0.01 0.02 -0.04 1.41 1.20 1ye9I1 THR 287 H -0.12 0.76 0.42 -0.55 8.28 8.79 1ye9I1 THR 287 HA -0.21 0.13 0.97 -0.75 4.39 4.52 1ye9I1 THR 287 HB -0.06 -0.08 0.11 -0.04 4.32 4.26 1ye9I1 THR 287 HG23 -0.03 0.05 -0.00 -0.04 1.22 1.19 1ye9I1 PHE 288 H -0.20 0.12 0.14 -0.55 8.34 7.85 1ye9I1 PHE 288 HA -0.02 0.25 0.66 -0.75 4.62 4.75 1ye9I1 PHE 288 HB2 -0.02 -0.04 0.13 -0.04 3.15 3.17 1ye9I1 PHE 288 HB3 -0.03 0.04 0.04 -0.04 3.06 3.07 1ye9I1 PHE 288 HD2 -0.02 0.09 -0.01 -0.04 7.28 7.29 1ye9I1 PHE 288 HE2 -0.02 -0.00 -0.04 -0.04 7.38 7.28 1ye9I1 PHE 288 HZ -0.02 -0.01 -0.02 -0.04 7.32 7.23 1ye9I1 VAL 289 H 0.09 0.63 0.27 -0.55 8.24 8.69 1ye9I1 VAL 289 HA -0.04 0.14 0.68 -0.75 4.13 4.15 1ye9I1 VAL 289 HB -0.09 0.05 -0.14 -0.04 2.12 1.89 1ye9I1 VAL 289 HG13 -0.17 -0.02 -0.32 -0.04 0.97 0.42 1ye9I1 VAL 289 HG23 -0.46 -0.02 -0.26 -0.04 0.95 0.17 1ye9I1 ARG 290 H -0.09 0.25 0.12 -0.55 8.46 8.19 1ye9I1 ARG 290 HA -0.16 0.28 0.77 -0.75 4.34 4.47 1ye9I1 ARG 290 HB2 0.06 -0.06 0.01 -0.04 1.90 1.87 1ye9I1 ARG 290 HB3 0.05 0.04 -0.14 -0.04 1.80 1.71 1ye9I1 ARG 290 HG2 -0.01 0.25 -0.06 -0.04 1.67 1.81 1ye9I1 ARG 290 HG3 -0.01 -0.10 -0.19 -0.04 1.67 1.33 1ye9I1 ARG 290 HD2 0.01 -0.07 -0.10 -0.04 3.22 3.02 1ye9I1 ARG 290 HD3 -0.02 0.14 -0.30 -0.04 3.22 2.99 1ye9I1 PHE 291 H 0.01 0.19 0.06 -0.55 8.34 8.05 1ye9I1 PHE 291 HA -0.08 0.13 0.43 -0.75 4.62 4.35 1ye9I1 PHE 291 HB2 -0.14 -0.12 0.14 -0.04 3.15 2.99 1ye9I1 PHE 291 HB3 -0.33 0.09 -0.07 -0.04 3.06 2.72 1ye9I1 PHE 291 HD2 -0.22 0.04 -0.04 -0.04 7.28 7.01 1ye9I1 PHE 291 HE2 -0.69 0.01 -0.08 -0.04 7.38 6.58 1ye9I1 PHE 291 HZ -0.18 0.01 -0.10 -0.04 7.32 7.02 1ye9I1 HIS 292 H 0.04 0.21 0.22 -0.55 8.41 8.34 1ye9I1 HIS 292 HA -0.24 0.33 0.99 -0.75 4.63 4.95 1ye9I1 HIS 292 HB2 -0.06 -0.05 0.05 -0.04 3.26 3.16 1ye9I1 HIS 292 HB3 -0.11 0.06 -0.01 -0.04 3.20 3.09 1ye9I1 HIS 292 HD2 0.02 0.13 -0.39 -0.04 6.97 6.68 1ye9I1 HIS 292 HE1 0.28 -0.02 -0.05 -0.04 7.75 7.91 1ye9I1 TRP 293 H -0.22 0.73 0.31 -0.55 7.97 8.25 1ye9I1 TRP 293 HA -0.02 0.15 0.84 -0.75 4.62 4.83 1ye9I1 TRP 293 HB2 -0.43 -0.04 0.03 -0.04 3.23 2.74 1ye9I1 TRP 293 HB3 0.02 0.06 -0.13 -0.04 3.23 3.14 1ye9I1 TRP 293 HD1 -1.11 -0.03 -0.26 -0.04 7.22 5.78 1ye9I1 TRP 293 HE1 -0.41 0.04 -0.15 -0.04 10.20 9.63 1ye9I1 TRP 293 HE3 0.10 -0.00 0.03 -0.04 7.59 7.67 1ye9I1 TRP 293 HZ2 0.08 -0.03 -0.11 -0.04 7.44 7.33 1ye9I1 TRP 293 HZ3 0.25 0.00 -0.03 -0.04 7.13 7.31 1ye9I1 TRP 293 HH2 0.23 -0.02 -0.10 -0.04 7.19 7.26 1ye9I1 LYS 294 H 0.33 0.21 0.05 -0.55 8.42 8.45 1ye9I1 LYS 294 HA 0.15 0.23 0.90 -0.75 4.32 4.84 1ye9I1 LYS 294 HB2 0.11 0.02 -0.08 -0.04 1.87 1.89 1ye9I1 LYS 294 HB3 0.14 -0.05 -0.00 -0.04 1.79 1.84 1ye9I1 LYS 294 HG2 0.14 -0.04 -0.25 -0.04 1.46 1.27 1ye9I1 LYS 294 HG3 0.12 0.10 -0.14 -0.04 1.46 1.49 1ye9I1 LYS 294 HD2 0.09 0.00 -0.05 -0.04 1.69 1.69 1ye9I1 LYS 294 HD3 0.09 -0.03 -0.05 -0.04 1.68 1.65 1ye9I1 LYS 294 HE2 0.09 -0.03 -0.04 -0.04 2.99 2.97 1ye9I1 LYS 294 HE3 0.12 -0.02 -0.06 -0.04 2.99 2.99 1ye9I1 PRO 295 HA 0.13 0.03 0.54 -0.51 4.44 4.63 1ye9I1 PRO 295 HB2 0.06 -0.06 0.04 -0.04 2.28 2.28 1ye9I1 PRO 295 HB3 0.09 0.19 -0.00 -0.04 2.02 2.26 1ye9I1 PRO 295 HG2 0.09 -0.03 -0.00 -0.04 2.03 2.05 1ye9I1 PRO 295 HG3 0.11 0.08 -0.50 -0.04 2.03 1.67 1ye9I1 PRO 295 HD2 0.13 0.03 0.13 -0.04 3.68 3.93 1ye9I1 PRO 295 HD3 0.16 0.26 0.03 -0.04 3.65 4.06 1ye9I1 LEU 296 H 0.09 0.17 0.18 -0.55 8.37 8.27 1ye9I1 LEU 296 HA 0.08 0.17 0.59 -0.75 4.35 4.43 1ye9I1 LEU 296 HB2 0.08 -0.00 0.07 -0.04 1.64 1.74 1ye9I1 LEU 296 HB3 0.07 -0.00 0.15 -0.04 1.64 1.83 1ye9I1 LEU 296 HG 0.14 0.10 0.05 -0.04 1.64 1.88 1ye9I1 LEU 296 HD13 0.14 -0.01 0.03 -0.04 0.93 1.05 1ye9I1 LEU 296 HD23 0.11 0.00 -0.09 -0.04 0.89 0.88 1ye9I1 ALA 297 H 0.04 0.12 -0.37 -0.55 8.40 7.65 1ye9I1 ALA 297 HA 0.03 0.18 0.48 -0.75 4.34 4.27 1ye9I1 ALA 297 HB3 0.01 0.04 -0.02 -0.04 1.41 1.39