============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 18 1.000 124.206 9.460 -18.085 -99.200 -91.000 TRP 29 1.040 133.774 10.369 -13.606 -99.200 -91.000 TRP6 29 1.020 132.519 9.084 -15.140 -99.200 -91.000 TRP 39 1.040 114.203 19.992 0.200 -99.200 -91.000 TRP6 39 1.020 114.061 22.213 -0.604 -99.200 -91.000 TYR 50 0.840 104.414 19.922 -6.169 -99.200 -91.000 TRP 56 1.040 103.250 29.424 0.162 -99.200 -91.000 TRP6 56 1.020 104.253 30.434 2.036 -99.200 -91.000 PHE 58 1.000 111.219 36.761 -3.594 -99.200 -91.000 PHE 60 1.000 110.291 25.004 -4.113 -99.200 -91.000 TYR 63 0.840 114.984 26.223 2.426 -99.200 -91.000 PHE 84 1.000 129.786 13.848 -14.173 -99.200 -91.000 PHE 85 1.000 128.058 21.675 -9.538 -99.200 -91.000 TYR 90 0.840 124.818 29.275 -14.359 -99.200 -91.000 TYR 94 0.840 119.160 32.999 -16.619 -99.200 -91.000 PHE 96 1.000 112.638 23.930 -12.385 -99.200 -91.000 TYR 101 0.840 108.240 37.894 -14.821 -99.200 -91.000 TRP 111 1.040 111.667 38.197 -13.722 -99.200 -91.000 TRP6 111 1.020 112.639 36.049 -13.531 -99.200 -91.000 TYR 114 0.840 115.280 33.915 -8.559 -99.200 -91.000 TRP 117 1.040 119.265 36.252 -3.125 -99.200 -91.000 TRP6 117 1.020 118.840 34.081 -3.916 -99.200 -91.000 HIS 118 0.900 120.735 33.478 -10.358 -99.200 -91.000 TRP 120 1.040 125.582 40.712 -3.691 -99.200 -91.000 TRP6 120 1.020 125.536 39.461 -1.705 -99.200 -91.000 PHE 125 1.000 128.445 34.266 -0.956 -99.200 -91.000 TYR 136 0.840 118.477 19.481 -23.368 -99.200 -91.000 HIS 146 0.900 104.677 5.418 -18.678 -99.200 -91.000 TYR 149 0.840 101.431 5.213 -13.856 -99.200 -91.000 TYR 163 0.840 105.708 22.954 -14.915 -99.200 -91.000 HIS 168 0.900 111.416 19.393 -25.215 -99.200 -91.000 TYR 169 0.840 110.043 28.105 -26.885 -99.200 -91.000 HIS 171 0.900 115.234 21.983 -19.443 -99.200 -91.000 TRP 174 1.040 121.049 27.695 -20.923 -99.200 -91.000 TRP6 174 1.020 121.094 26.295 -19.033 -99.200 -91.000 HIS 177 0.900 116.399 25.430 -30.989 -99.200 -91.000 PHE 184 1.000 124.806 34.137 -13.597 -99.200 -91.000 TYR 186 0.840 130.313 30.387 -16.664 -99.200 -91.000 PHE 201 1.000 119.187 6.709 -18.915 -99.200 -91.000 TYR 205 0.840 125.413 1.963 -17.327 -99.200 -91.000 PHE 215 1.000 130.823 17.432 -22.491 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zi5A1 ARG 1020 HA -0.01 -0.02 0.22 -0.75 4.34 3.77 2zi5A1 ARG 1020 HB2 -0.01 -0.07 0.09 -0.04 1.90 1.86 2zi5A1 ARG 1020 HB3 -0.00 0.07 -0.06 -0.04 1.80 1.77 2zi5A1 ARG 1020 HG2 -0.01 -0.02 0.06 -0.04 1.67 1.66 2zi5A1 ARG 1020 HG3 -0.01 -0.05 0.03 -0.04 1.67 1.60 2zi5A1 ARG 1020 HD2 0.00 0.11 -0.00 -0.04 3.22 3.29 2zi5A1 ARG 1020 HD3 -0.00 -0.03 0.04 -0.04 3.22 3.19 2zi5A1 ILE 1021 H -0.01 0.12 0.02 -0.55 8.25 7.83 2zi5A1 ILE 1021 HA -0.01 0.22 0.75 -0.75 4.18 4.39 2zi5A1 ILE 1021 HB -0.00 -0.03 0.15 -0.04 1.89 1.97 2zi5A1 ILE 1021 HG12 0.01 0.04 -0.21 -0.04 1.49 1.29 2zi5A1 ILE 1021 HG13 0.01 -0.02 -0.06 -0.04 1.21 1.10 2zi5A1 ILE 1021 HG23 -0.01 -0.01 -0.23 -0.04 0.93 0.65 2zi5A1 ILE 1021 HD13 0.02 0.01 -0.17 -0.04 0.88 0.70 2zi5A1 LYS 1022 H -0.06 0.49 0.09 -0.55 8.42 8.39 2zi5A1 LYS 1022 HA -0.09 0.04 0.49 -0.75 4.32 4.01 2zi5A1 LYS 1022 HB2 -0.13 0.07 0.13 -0.04 1.87 1.91 2zi5A1 LYS 1022 HB3 -0.15 -0.10 -0.02 -0.04 1.79 1.48 2zi5A1 LYS 1022 HG2 -0.08 -0.07 -0.01 -0.04 1.46 1.27 2zi5A1 LYS 1022 HG3 -0.06 0.05 -0.14 -0.04 1.46 1.27 2zi5A1 LYS 1022 HD2 -0.04 -0.02 -0.01 -0.04 1.69 1.58 2zi5A1 LYS 1022 HD3 -0.03 0.18 0.03 -0.04 1.68 1.81 2zi5A1 LYS 1022 HE2 -0.11 -0.08 -0.01 -0.04 2.99 2.75 2zi5A1 LYS 1022 HE3 -0.06 0.04 0.03 -0.04 2.99 2.96 2zi5A1 LYS 1023 H -0.14 0.15 0.24 -0.55 8.42 8.12 2zi5A1 LYS 1023 HA -0.44 0.41 1.08 -0.75 4.32 4.61 2zi5A1 LYS 1023 HB2 -0.25 -0.11 0.02 -0.04 1.87 1.49 2zi5A1 LYS 1023 HB3 -0.76 0.02 0.08 -0.04 1.79 1.09 2zi5A1 LYS 1023 HG2 0.03 0.02 -0.07 -0.04 1.46 1.41 2zi5A1 LYS 1023 HG3 -0.08 -0.00 -0.16 -0.04 1.46 1.19 2zi5A1 LYS 1023 HD2 0.04 0.15 -0.03 -0.04 1.69 1.82 2zi5A1 LYS 1023 HD3 0.20 0.16 -0.05 -0.04 1.68 1.95 2zi5A1 LYS 1023 HE2 0.04 0.05 0.17 -0.04 2.99 3.20 2zi5A1 LYS 1023 HE3 -0.01 0.06 0.10 -0.04 2.99 3.09 2zi5A1 ILE 1024 H -0.57 0.61 0.28 -0.55 8.25 8.02 2zi5A1 ILE 1024 HA -0.13 0.19 0.89 -0.75 4.18 4.38 2zi5A1 ILE 1024 HB -0.68 -0.00 -0.04 -0.04 1.89 1.13 2zi5A1 ILE 1024 HG12 -0.36 -0.04 -0.41 -0.04 1.49 0.63 2zi5A1 ILE 1024 HG13 -0.38 0.04 -0.18 -0.04 1.21 0.65 2zi5A1 ILE 1024 HG23 0.11 -0.02 -0.35 -0.04 0.93 0.62 2zi5A1 ILE 1024 HD13 0.02 0.00 -0.18 -0.04 0.88 0.68 2zi5A1 SER 1025 H 0.01 0.56 0.35 -0.55 8.46 8.83 2zi5A1 SER 1025 HA 0.08 0.18 0.97 -0.75 4.49 4.97 2zi5A1 SER 1025 HB2 0.19 0.08 0.08 -0.04 3.95 4.25 2zi5A1 SER 1025 HB3 0.14 -0.07 0.03 -0.04 3.93 4.00 2zi5A1 ILE 1026 H 0.15 0.56 0.30 -0.55 8.25 8.71 2zi5A1 ILE 1026 HA 0.08 0.22 0.85 -0.75 4.18 4.57 2zi5A1 ILE 1026 HB 0.13 0.04 0.30 -0.04 1.89 2.32 2zi5A1 ILE 1026 HG12 0.20 0.08 -0.07 -0.04 1.49 1.66 2zi5A1 ILE 1026 HG13 0.04 -0.03 -0.06 -0.04 1.21 1.12 2zi5A1 ILE 1026 HG23 0.09 -0.01 -0.04 -0.04 0.93 0.92 2zi5A1 ILE 1026 HD13 0.13 0.01 -0.10 -0.04 0.88 0.88 2zi5A1 GLU 1027 H 0.07 0.83 0.37 -0.55 8.60 9.32 2zi5A1 GLU 1027 HA 0.20 0.14 0.97 -0.75 4.29 4.85 2zi5A1 GLU 1027 HB2 0.06 0.03 -0.05 -0.04 2.09 2.09 2zi5A1 GLU 1027 HB3 0.22 -0.04 0.01 -0.04 1.99 2.14 2zi5A1 GLU 1027 HG2 0.11 -0.02 -0.43 -0.04 2.34 1.97 2zi5A1 GLU 1027 HG3 -0.08 0.08 -0.15 -0.04 2.34 2.15 2zi5A1 GLY 1028 H 0.29 0.12 0.13 -0.55 8.43 8.42 2zi5A1 GLY 1028 HA2 -0.17 0.01 0.34 -0.51 4.01 3.68 2zi5A1 GLY 1028 HA3 0.01 0.20 0.86 -0.51 4.01 4.57 2zi5A1 ASN 1029 H -0.29 0.14 0.12 -0.55 8.53 7.96 2zi5A1 ASN 1029 HA 0.13 0.05 0.34 -0.75 4.76 4.52 2zi5A1 ASN 1029 HB2 0.00 0.01 0.11 -0.04 2.88 2.96 2zi5A1 ASN 1029 HB3 0.05 0.09 -0.07 -0.04 2.79 2.82 2zi5A1 ASN 1029 HD21 0.07 0.36 0.20 -0.04 7.03 7.62 2zi5A1 ASN 1029 HD22 0.17 -0.03 0.02 -0.04 7.74 7.86 2zi5A1 ILE 1030 H 0.12 0.10 0.11 -0.55 8.25 8.03 2zi5A1 ILE 1030 HA 0.16 0.05 0.51 -0.75 4.18 4.15 2zi5A1 ILE 1030 HB 0.13 0.00 0.07 -0.04 1.89 2.06 2zi5A1 ILE 1030 HG12 0.28 0.04 0.01 -0.04 1.49 1.78 2zi5A1 ILE 1030 HG13 0.24 -0.09 0.07 -0.04 1.21 1.39 2zi5A1 ILE 1030 HG23 0.15 0.03 -0.12 -0.04 0.93 0.95 2zi5A1 ILE 1030 HD13 0.28 0.01 -0.01 -0.04 0.88 1.12 2zi5A1 ALA 1031 H 0.10 0.12 0.15 -0.55 8.40 8.23 2zi5A1 ALA 1031 HA 0.06 -0.05 0.29 -0.75 4.34 3.89 2zi5A1 ALA 1031 HB3 0.07 0.08 -0.23 -0.04 1.41 1.29 2zi5A1 ALA 1032 H 0.06 0.25 -0.61 -0.55 8.40 7.57 2zi5A1 ALA 1032 HA 0.04 0.14 0.48 -0.75 4.34 4.24 2zi5A1 ALA 1032 HB3 0.01 -0.02 -0.16 -0.04 1.41 1.20 2zi5A1 GLY 1033 H 0.07 -0.10 -0.20 -0.55 8.43 7.65 2zi5A1 GLY 1033 HA2 0.06 0.05 0.17 -0.51 4.01 3.78 2zi5A1 GLY 1033 HA3 0.20 0.35 0.86 -0.51 4.01 4.91 2zi5A1 LYS 1034 H 0.09 0.07 0.01 -0.55 8.42 8.03 2zi5A1 LYS 1034 HA 0.12 0.13 0.31 -0.75 4.32 4.13 2zi5A1 LYS 1034 HB2 0.09 -0.02 0.00 -0.04 1.87 1.90 2zi5A1 LYS 1034 HB3 0.10 0.09 -0.05 -0.04 1.79 1.89 2zi5A1 LYS 1034 HG2 0.07 0.09 -0.17 -0.04 1.46 1.41 2zi5A1 LYS 1034 HG3 0.08 -0.13 -0.03 -0.04 1.46 1.34 2zi5A1 LYS 1034 HD2 0.13 0.09 -0.19 -0.04 1.69 1.67 2zi5A1 LYS 1034 HD3 0.12 -0.01 -0.48 -0.04 1.68 1.27 2zi5A1 LYS 1034 HE2 0.12 -0.11 -0.05 -0.04 2.99 2.91 2zi5A1 LYS 1034 HE3 0.18 -0.02 -0.04 -0.04 2.99 3.06 2zi5A1 SER 1035 H 0.08 0.07 -0.12 -0.55 8.46 7.95 2zi5A1 SER 1035 HA 0.05 0.13 0.40 -0.75 4.49 4.32 2zi5A1 SER 1035 HB2 0.04 0.00 0.06 -0.04 3.95 4.01 2zi5A1 SER 1035 HB3 0.04 -0.01 -0.01 -0.04 3.93 3.91 2zi5A1 THR 1036 H 0.11 0.08 -0.66 -0.55 8.28 7.26 2zi5A1 THR 1036 HA 0.04 0.14 0.46 -0.75 4.39 4.28 2zi5A1 THR 1036 HB 0.12 0.21 0.11 -0.04 4.32 4.71 2zi5A1 THR 1036 HG23 -0.03 -0.00 -0.12 -0.04 1.22 1.02 2zi5A1 PHE 1037 H 0.30 0.36 -0.03 -0.55 8.34 8.43 2zi5A1 PHE 1037 HA 0.06 0.07 0.38 -0.75 4.62 4.37 2zi5A1 PHE 1037 HB2 0.03 0.06 0.03 -0.04 3.15 3.23 2zi5A1 PHE 1037 HB3 -0.08 0.04 -0.00 -0.04 3.06 2.98 2zi5A1 PHE 1037 HD2 -0.21 0.01 -0.09 -0.04 7.28 6.94 2zi5A1 PHE 1037 HE2 -0.22 0.00 -0.09 -0.04 7.38 7.04 2zi5A1 PHE 1037 HZ -0.16 -0.00 -0.27 -0.04 7.32 6.84 2zi5A1 VAL 1038 H 0.04 0.39 -0.21 -0.55 8.24 7.91 2zi5A1 VAL 1038 HA -0.35 0.09 0.41 -0.75 4.13 3.53 2zi5A1 VAL 1038 HB 0.00 0.12 0.05 -0.04 2.12 2.26 2zi5A1 VAL 1038 HG13 -0.01 0.01 -0.27 -0.04 0.97 0.66 2zi5A1 VAL 1038 HG23 -0.05 -0.01 -0.10 -0.04 0.95 0.75 2zi5A1 ASN 1039 H -0.05 0.19 -0.44 -0.55 8.53 7.69 2zi5A1 ASN 1039 HA -0.04 0.14 0.59 -0.75 4.76 4.70 2zi5A1 ASN 1039 HB2 -0.02 0.08 0.14 -0.04 2.88 3.04 2zi5A1 ASN 1039 HB3 -0.02 -0.00 0.01 -0.04 2.79 2.73 2zi5A1 ASN 1039 HD21 0.01 -0.09 0.01 -0.04 7.03 6.92 2zi5A1 ASN 1039 HD22 0.01 -0.01 0.03 -0.04 7.74 7.74 2zi5A1 ILE 1040 H -0.12 0.35 -0.11 -0.55 8.25 7.82 2zi5A1 ILE 1040 HA -0.20 0.05 0.45 -0.75 4.18 3.72 2zi5A1 ILE 1040 HB -0.28 0.04 0.22 -0.04 1.89 1.83 2zi5A1 ILE 1040 HG12 -0.22 -0.01 0.06 -0.04 1.49 1.28 2zi5A1 ILE 1040 HG13 -0.05 0.17 0.11 -0.04 1.21 1.41 2zi5A1 ILE 1040 HG23 -0.89 -0.01 -0.19 -0.04 0.93 -0.21 2zi5A1 ILE 1040 HD13 0.09 -0.04 -0.07 -0.04 0.88 0.81 2zi5A1 LEU 1041 H -0.44 0.61 -0.13 -0.55 8.37 7.86 2zi5A1 LEU 1041 HA -0.05 0.00 0.37 -0.75 4.35 3.91 2zi5A1 LEU 1041 HB2 -0.62 0.02 0.04 -0.04 1.64 1.03 2zi5A1 LEU 1041 HB3 -0.73 0.01 -0.07 -0.04 1.64 0.81 2zi5A1 LEU 1041 HG -1.20 0.02 0.03 -0.04 1.64 0.45 2zi5A1 LEU 1041 HD13 -1.15 -0.04 -0.19 -0.04 0.93 -0.49 2zi5A1 LEU 1041 HD23 -0.66 -0.02 -0.06 -0.04 0.89 0.11 2zi5A1 LYS 1042 H -0.09 0.18 -0.73 -0.55 8.42 7.22 2zi5A1 LYS 1042 HA 0.15 0.13 0.29 -0.75 4.32 4.13 2zi5A1 LYS 1042 HB2 0.01 0.02 0.12 -0.04 1.87 1.98 2zi5A1 LYS 1042 HB3 -0.02 0.11 0.20 -0.04 1.79 2.04 2zi5A1 LYS 1042 HG2 0.03 -0.02 -0.17 -0.04 1.46 1.25 2zi5A1 LYS 1042 HG3 0.06 0.06 0.12 -0.04 1.46 1.66 2zi5A1 LYS 1042 HD2 0.02 -0.02 0.03 -0.04 1.69 1.69 2zi5A1 LYS 1042 HD3 0.02 -0.05 0.02 -0.04 1.68 1.62 2zi5A1 LYS 1042 HE2 0.03 -0.04 0.04 -0.04 2.99 2.98 2zi5A1 LYS 1042 HE3 0.04 0.01 0.05 -0.04 2.99 3.05 2zi5A1 GLN 1043 H -0.00 0.33 -0.34 -0.55 8.47 7.91 2zi5A1 GLN 1043 HA 0.01 0.15 0.72 -0.75 4.36 4.48 2zi5A1 GLN 1043 HB2 0.00 -0.01 0.01 -0.04 2.15 2.11 2zi5A1 GLN 1043 HB3 0.00 -0.07 0.12 -0.04 2.02 2.04 2zi5A1 GLN 1043 HG2 -0.01 0.00 0.01 -0.04 2.40 2.36 2zi5A1 GLN 1043 HG3 -0.03 0.01 0.10 -0.04 2.39 2.42 2zi5A1 GLN 1043 HE21 0.01 -0.06 -0.01 -0.04 6.97 6.86 2zi5A1 GLN 1043 HE22 0.01 0.05 -0.05 -0.04 7.69 7.66 2zi5A1 LEU 1044 H 0.05 0.43 -0.29 -0.55 8.37 8.02 2zi5A1 LEU 1044 HA -0.07 0.13 0.65 -0.75 4.35 4.30 2zi5A1 LEU 1044 HB2 -0.17 0.11 0.03 -0.04 1.64 1.57 2zi5A1 LEU 1044 HB3 -0.16 -0.08 0.09 -0.04 1.64 1.45 2zi5A1 LEU 1044 HG 0.00 0.17 -0.03 -0.04 1.64 1.74 2zi5A1 LEU 1044 HD13 0.10 -0.04 -0.07 -0.04 0.93 0.88 2zi5A1 LEU 1044 HD23 0.08 -0.01 -0.10 -0.04 0.89 0.81 2zi5A1 SER 1045 H -0.09 0.36 -0.14 -0.55 8.46 8.04 2zi5A1 SER 1045 HA -0.25 0.06 0.58 -0.75 4.49 4.13 2zi5A1 SER 1045 HB2 -0.94 0.17 -0.12 -0.04 3.95 3.02 2zi5A1 SER 1045 HB3 -1.26 0.08 -0.07 -0.04 3.93 2.64 2zi5A1 GLU 1046 H -0.11 0.15 0.13 -0.55 8.60 8.23 2zi5A1 GLU 1046 HA 0.00 0.00 0.48 -0.75 4.29 4.02 2zi5A1 GLU 1046 HB2 -0.03 -0.04 0.04 -0.04 2.09 2.02 2zi5A1 GLU 1046 HB3 -0.01 0.00 0.11 -0.04 1.99 2.05 2zi5A1 GLU 1046 HG2 -0.05 0.00 0.09 -0.04 2.34 2.34 2zi5A1 GLU 1046 HG3 -0.03 -0.00 0.05 -0.04 2.34 2.31 2zi5A1 ASP 1047 H -0.11 0.02 -0.29 -0.55 8.40 7.47 2zi5A1 ASP 1047 HA 0.07 0.20 0.60 -0.75 4.63 4.75 2zi5A1 ASP 1047 HB2 0.01 0.02 -0.06 -0.04 2.71 2.63 2zi5A1 ASP 1047 HB3 0.14 0.31 -0.23 -0.04 2.70 2.87 2zi5A1 TRP 1048 H 0.18 0.56 -0.51 -0.55 7.97 7.65 2zi5A1 TRP 1048 HA 0.11 0.40 1.35 -0.75 4.62 5.73 2zi5A1 TRP 1048 HB2 0.04 0.03 0.15 -0.04 3.23 3.41 2zi5A1 TRP 1048 HB3 0.13 -0.02 -0.10 -0.04 3.23 3.19 2zi5A1 TRP 1048 HD1 0.09 0.24 -0.35 -0.04 7.22 7.15 2zi5A1 TRP 1048 HE1 0.10 0.04 -0.10 -0.04 10.20 10.19 2zi5A1 TRP 1048 HE3 -0.10 0.59 0.05 -0.04 7.59 8.09 2zi5A1 TRP 1048 HZ2 0.10 -0.00 -0.11 -0.04 7.44 7.39 2zi5A1 TRP 1048 HZ3 -0.17 -0.07 0.01 -0.04 7.13 6.85 2zi5A1 TRP 1048 HH2 -0.00 -0.03 -0.07 -0.04 7.19 7.05 2zi5A1 GLU 1049 H 0.22 0.67 0.40 -0.55 8.60 9.33 2zi5A1 GLU 1049 HA 0.14 0.13 0.83 -0.75 4.29 4.64 2zi5A1 GLU 1049 HB2 0.10 -0.00 -0.00 -0.04 2.09 2.14 2zi5A1 GLU 1049 HB3 0.09 -0.04 0.15 -0.04 1.99 2.15 2zi5A1 GLU 1049 HG2 0.14 -0.11 -0.45 -0.04 2.34 1.88 2zi5A1 GLU 1049 HG3 0.09 0.05 -0.07 -0.04 2.34 2.36 2zi5A1 VAL 1050 H 0.10 0.23 0.22 -0.55 8.24 8.24 2zi5A1 VAL 1050 HA 0.16 0.17 1.06 -0.75 4.13 4.76 2zi5A1 VAL 1050 HB 0.11 0.08 0.07 -0.04 2.12 2.34 2zi5A1 VAL 1050 HG13 0.04 0.02 -0.21 -0.04 0.97 0.78 2zi5A1 VAL 1050 HG23 0.06 -0.04 -0.26 -0.04 0.95 0.66 2zi5A1 VAL 1051 H 0.23 0.52 0.22 -0.55 8.24 8.65 2zi5A1 VAL 1051 HA 0.07 0.29 1.00 -0.75 4.13 4.74 2zi5A1 VAL 1051 HB 0.06 0.08 0.05 -0.04 2.12 2.27 2zi5A1 VAL 1051 HG13 0.32 0.01 -0.15 -0.04 0.97 1.10 2zi5A1 VAL 1051 HG23 -0.05 -0.03 -0.24 -0.04 0.95 0.59 2zi5A1 PRO 1052 HA 0.04 -0.05 0.54 -0.51 4.44 4.46 2zi5A1 PRO 1052 HB2 -0.01 0.02 -0.08 -0.04 2.28 2.17 2zi5A1 PRO 1052 HB3 0.02 0.03 0.00 -0.04 2.02 2.03 2zi5A1 PRO 1052 HG2 -0.01 0.01 0.10 -0.04 2.03 2.09 2zi5A1 PRO 1052 HG3 0.01 0.07 0.04 -0.04 2.03 2.12 2zi5A1 PRO 1052 HD2 0.01 0.12 0.18 -0.04 3.68 3.95 2zi5A1 PRO 1052 HD3 0.04 0.31 0.10 -0.04 3.65 4.06 2zi5A1 GLU 1053 H -0.01 0.15 0.28 -0.55 8.60 8.48 2zi5A1 GLU 1053 HA -0.14 0.15 0.44 -0.75 4.29 3.98 2zi5A1 GLU 1053 HB2 -0.14 -0.09 0.11 -0.04 2.09 1.94 2zi5A1 GLU 1053 HB3 -0.03 0.58 0.32 -0.04 1.99 2.82 2zi5A1 GLU 1053 HG2 -0.01 0.03 0.15 -0.04 2.34 2.47 2zi5A1 GLU 1053 HG3 -0.12 -0.30 0.09 -0.04 2.34 1.98 2zi5A1 PRO 1054 HA -0.36 0.10 0.40 -0.51 4.44 4.08 2zi5A1 PRO 1054 HB2 -0.90 -0.03 -0.01 -0.04 2.28 1.30 2zi5A1 PRO 1054 HB3 -0.35 0.05 0.04 -0.04 2.02 1.72 2zi5A1 PRO 1054 HG2 -0.22 0.11 -0.34 -0.04 2.03 1.53 2zi5A1 PRO 1054 HG3 -0.17 0.13 0.09 -0.04 2.03 2.04 2zi5A1 PRO 1054 HD2 -0.28 0.04 0.16 -0.04 3.68 3.55 2zi5A1 PRO 1054 HD3 -0.17 0.26 0.19 -0.04 3.65 3.89 2zi5A1 VAL 1055 H -0.73 0.13 -0.20 -0.55 8.24 6.89 2zi5A1 VAL 1055 HA -1.25 0.09 0.33 -0.75 4.13 2.55 2zi5A1 VAL 1055 HB -0.28 -0.03 -0.03 -0.04 2.12 1.74 2zi5A1 VAL 1055 HG13 0.10 0.02 -0.13 -0.04 0.97 0.92 2zi5A1 VAL 1055 HG23 -0.48 0.01 -0.01 -0.04 0.95 0.44 2zi5A1 ALA 1056 H -0.25 0.20 -0.34 -0.55 8.40 7.47 2zi5A1 ALA 1056 HA -0.02 -0.00 0.43 -0.75 4.34 4.00 2zi5A1 ALA 1056 HB3 -0.05 0.04 0.07 -0.04 1.41 1.43 2zi5A1 ARG 1057 H -0.19 0.20 -0.18 -0.55 8.46 7.74 2zi5A1 ARG 1057 HA 0.03 -0.01 0.33 -0.75 4.34 3.94 2zi5A1 ARG 1057 HB2 -0.13 -0.07 0.12 -0.04 1.90 1.78 2zi5A1 ARG 1057 HB3 -0.04 0.09 0.02 -0.04 1.80 1.83 2zi5A1 ARG 1057 HG2 0.14 -0.02 0.01 -0.04 1.67 1.76 2zi5A1 ARG 1057 HG3 0.04 -0.02 0.05 -0.04 1.67 1.70 2zi5A1 ARG 1057 HD2 0.09 -0.03 0.01 -0.04 3.22 3.25 2zi5A1 ARG 1057 HD3 0.03 0.01 0.01 -0.04 3.22 3.22 2zi5A1 TRP 1058 H -0.08 0.27 -0.62 -0.55 7.97 7.00 2zi5A1 TRP 1058 HA 0.03 0.11 0.57 -0.75 4.62 4.58 2zi5A1 TRP 1058 HB2 0.07 0.07 0.04 -0.04 3.23 3.36 2zi5A1 TRP 1058 HB3 0.06 -0.09 -0.20 -0.04 3.23 2.97 2zi5A1 TRP 1058 HD1 -0.01 0.06 -0.29 -0.04 7.22 6.94 2zi5A1 TRP 1058 HE1 -0.10 0.01 -0.07 -0.04 10.20 9.99 2zi5A1 TRP 1058 HE3 0.07 0.04 -0.04 -0.04 7.59 7.62 2zi5A1 TRP 1058 HZ2 -0.59 0.04 -0.07 -0.04 7.44 6.78 2zi5A1 TRP 1058 HZ3 -0.80 -0.01 -0.07 -0.04 7.13 6.20 2zi5A1 TRP 1058 HH2 -0.77 0.03 -0.27 -0.04 7.19 6.14 2zi5A1 LYS 1076 HA -0.08 0.07 0.29 -0.75 4.32 3.84 2zi5A1 LYS 1076 HB2 -0.04 0.08 0.10 -0.04 1.87 1.97 2zi5A1 LYS 1076 HB3 -0.07 -0.15 0.17 -0.04 1.79 1.70 2zi5A1 LYS 1076 HG2 -0.07 -0.02 -0.08 -0.04 1.46 1.25 2zi5A1 LYS 1076 HG3 -0.06 -0.00 -0.03 -0.04 1.46 1.33 2zi5A1 LYS 1076 HD2 -0.03 0.03 0.03 -0.04 1.69 1.68 2zi5A1 LYS 1076 HD3 -0.03 0.01 0.01 -0.04 1.68 1.63 2zi5A1 LYS 1076 HE2 -0.03 -0.01 -0.00 -0.04 2.99 2.90 2zi5A1 LYS 1076 HE3 -0.02 0.03 0.00 -0.04 2.99 2.97 2zi5A1 ASN 1077 H -0.14 0.22 0.14 -0.55 8.53 8.21 2zi5A1 ASN 1077 HA -0.20 0.09 0.70 -0.75 4.76 4.60 2zi5A1 ASN 1077 HB2 -0.22 0.05 0.13 -0.04 2.88 2.80 2zi5A1 ASN 1077 HB3 -0.30 -0.00 0.07 -0.04 2.79 2.52 2zi5A1 ASN 1077 HD21 -0.09 0.04 0.00 -0.04 7.03 6.94 2zi5A1 ASN 1077 HD22 -0.11 0.01 0.06 -0.04 7.74 7.66 2zi5A1 GLY 1078 H -0.40 0.25 -0.17 -0.55 8.43 7.57 2zi5A1 GLY 1078 HA2 -0.88 0.05 0.35 -0.51 4.01 3.02 2zi5A1 GLY 1078 HA3 -2.17 0.12 0.15 -0.51 4.01 1.60 2zi5A1 GLY 1079 H -0.37 0.21 -0.78 -0.55 8.43 6.95 2zi5A1 GLY 1079 HA2 0.01 0.15 0.40 -0.51 4.01 4.06 2zi5A1 GLY 1079 HA3 -0.08 0.14 0.45 -0.51 4.01 4.02 2zi5A1 ASN 1080 H -0.18 0.26 -0.14 -0.55 8.53 7.91 2zi5A1 ASN 1080 HA -0.11 0.11 0.57 -0.75 4.76 4.57 2zi5A1 ASN 1080 HB2 -0.19 0.00 0.22 -0.04 2.88 2.87 2zi5A1 ASN 1080 HB3 -0.23 -0.02 -0.02 -0.04 2.79 2.48 2zi5A1 ASN 1080 HD21 -0.07 0.01 0.01 -0.04 7.03 6.94 2zi5A1 ASN 1080 HD22 -0.09 -0.02 0.05 -0.04 7.74 7.64 2zi5A1 VAL 1081 H -0.22 0.71 -0.04 -0.55 8.24 8.13 2zi5A1 VAL 1081 HA -0.36 -0.00 0.33 -0.75 4.13 3.33 2zi5A1 VAL 1081 HB -0.21 0.04 0.09 -0.04 2.12 2.00 2zi5A1 VAL 1081 HG13 -0.03 0.01 0.01 -0.04 0.97 0.92 2zi5A1 VAL 1081 HG23 0.08 -0.02 -0.08 -0.04 0.95 0.89 2zi5A1 LEU 1082 H 0.06 0.54 -0.33 -0.55 8.37 8.09 2zi5A1 LEU 1082 HA 0.31 -0.03 0.35 -0.75 4.35 4.23 2zi5A1 LEU 1082 HB2 0.73 0.02 0.11 -0.04 1.64 2.45 2zi5A1 LEU 1082 HB3 0.27 0.09 0.12 -0.04 1.64 2.08 2zi5A1 LEU 1082 HG 0.30 -0.04 -0.30 -0.04 1.64 1.56 2zi5A1 LEU 1082 HD13 0.16 -0.04 -0.01 -0.04 0.93 1.01 2zi5A1 LEU 1082 HD23 0.36 0.00 -0.01 -0.04 0.89 1.20 2zi5A1 GLN 1083 H 0.03 0.34 -0.46 -0.55 8.47 7.83 2zi5A1 GLN 1083 HA 0.20 0.01 0.42 -0.75 4.36 4.24 2zi5A1 GLN 1083 HB2 0.02 0.35 0.25 -0.04 2.15 2.73 2zi5A1 GLN 1083 HB3 -0.03 -0.00 0.10 -0.04 2.02 2.05 2zi5A1 GLN 1083 HG2 0.02 -0.04 0.02 -0.04 2.40 2.36 2zi5A1 GLN 1083 HG3 0.05 -0.05 0.08 -0.04 2.39 2.43 2zi5A1 GLN 1083 HE21 0.01 -0.01 0.03 -0.04 6.97 6.96 2zi5A1 GLN 1083 HE22 0.04 -0.03 0.04 -0.04 7.69 7.70 2zi5A1 MET 1084 H -0.17 0.66 -0.09 -0.55 8.47 8.33 2zi5A1 MET 1084 HA -0.08 0.02 0.46 -0.75 4.52 4.17 2zi5A1 MET 1084 HB2 -0.78 0.08 0.09 -0.04 2.15 1.50 2zi5A1 MET 1084 HB3 -1.22 -0.07 0.02 -0.04 2.03 0.71 2zi5A1 MET 1084 HG2 -0.33 -0.05 0.01 -0.04 2.63 2.21 2zi5A1 MET 1084 HG3 -0.32 0.37 0.11 -0.04 2.56 2.67 2zi5A1 MET 1084 HE3 -1.71 -0.03 -0.05 -0.04 2.10 0.27 2zi5A1 MET 1085 H -0.13 0.58 -0.30 -0.55 8.47 8.07 2zi5A1 MET 1085 HA 0.03 -0.10 0.33 -0.75 4.52 4.02 2zi5A1 MET 1085 HB2 -0.27 0.03 0.04 -0.04 2.15 1.91 2zi5A1 MET 1085 HB3 -0.59 0.24 0.09 -0.04 2.03 1.73 2zi5A1 MET 1085 HG2 -1.18 -0.06 -0.06 -0.04 2.63 1.29 2zi5A1 MET 1085 HG3 -0.70 0.03 -0.12 -0.04 2.56 1.73 2zi5A1 MET 1085 HE3 -0.15 0.01 0.01 -0.04 2.10 1.93 2zi5A1 TYR 1086 H 0.03 0.36 -0.41 -0.55 8.29 7.72 2zi5A1 TYR 1086 HA -0.06 0.08 0.68 -0.75 4.56 4.50 2zi5A1 TYR 1086 HB2 -0.03 0.15 0.13 -0.04 3.06 3.27 2zi5A1 TYR 1086 HB3 -0.02 -0.02 0.05 -0.04 2.98 2.94 2zi5A1 TYR 1086 HD2 -0.03 0.05 0.00 -0.04 7.15 7.13 2zi5A1 TYR 1086 HE2 0.02 -0.02 -0.09 -0.04 6.85 6.72 2zi5A1 GLU 1087 H 0.10 0.18 -0.38 -0.55 8.60 7.95 2zi5A1 GLU 1087 HA 0.08 0.08 0.44 -0.75 4.29 4.13 2zi5A1 GLU 1087 HB2 0.08 0.03 0.22 -0.04 2.09 2.38 2zi5A1 GLU 1087 HB3 0.13 -0.03 -0.02 -0.04 1.99 2.03 2zi5A1 GLU 1087 HG2 0.05 -0.05 -0.00 -0.04 2.34 2.30 2zi5A1 GLU 1087 HG3 0.06 -0.03 0.02 -0.04 2.34 2.36 2zi5A1 LYS 1088 H 0.18 0.42 -0.12 -0.55 8.42 8.34 2zi5A1 LYS 1088 HA 0.06 0.18 0.75 -0.75 4.32 4.55 2zi5A1 LYS 1088 HB2 0.15 0.05 -0.17 -0.04 1.87 1.86 2zi5A1 LYS 1088 HB3 0.20 -0.08 0.21 -0.04 1.79 2.09 2zi5A1 LYS 1088 HG2 -0.02 -0.12 0.03 -0.04 1.46 1.31 2zi5A1 LYS 1088 HG3 0.02 0.07 0.08 -0.04 1.46 1.60 2zi5A1 LYS 1088 HD2 0.07 0.05 -0.02 -0.04 1.69 1.74 2zi5A1 LYS 1088 HD3 0.01 -0.03 0.01 -0.04 1.68 1.62 2zi5A1 LYS 1088 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 2zi5A1 LYS 1088 HE3 -0.02 -0.02 0.00 -0.04 2.99 2.92 2zi5A1 PRO 1089 HA 0.07 0.00 0.31 -0.51 4.44 4.31 2zi5A1 PRO 1089 HB2 -0.03 -0.02 0.03 -0.04 2.28 2.22 2zi5A1 PRO 1089 HB3 -0.05 0.29 0.14 -0.04 2.02 2.35 2zi5A1 PRO 1089 HG2 -0.01 0.00 0.04 -0.04 2.03 2.02 2zi5A1 PRO 1089 HG3 -0.03 0.11 0.02 -0.04 2.03 2.09 2zi5A1 PRO 1089 HD2 0.02 0.12 0.06 -0.04 3.68 3.85 2zi5A1 PRO 1089 HD3 0.04 0.30 -0.32 -0.04 3.65 3.63 2zi5A1 GLU 1090 H 0.00 0.16 -0.28 -0.55 8.60 7.94 2zi5A1 GLU 1090 HA -0.00 0.25 0.70 -0.75 4.29 4.48 2zi5A1 GLU 1090 HB2 -0.03 0.08 0.18 -0.04 2.09 2.28 2zi5A1 GLU 1090 HB3 -0.02 0.01 0.11 -0.04 1.99 2.04 2zi5A1 GLU 1090 HG2 -0.06 0.05 -0.49 -0.04 2.34 1.79 2zi5A1 GLU 1090 HG3 -0.04 -0.00 -0.05 -0.04 2.34 2.20 2zi5A1 ARG 1091 H -0.04 0.49 -0.29 -0.55 8.46 8.07 2zi5A1 ARG 1091 HA -0.26 0.15 0.85 -0.75 4.34 4.33 2zi5A1 ARG 1091 HB2 -0.25 -0.04 0.04 -0.04 1.90 1.61 2zi5A1 ARG 1091 HB3 -0.30 0.26 0.18 -0.04 1.80 1.91 2zi5A1 ARG 1091 HG2 -0.60 -0.01 -0.01 -0.04 1.67 1.02 2zi5A1 ARG 1091 HG3 -2.26 -0.03 -0.20 -0.04 1.67 -0.87 2zi5A1 ARG 1091 HD2 -0.64 -0.03 0.19 -0.04 3.22 2.70 2zi5A1 ARG 1091 HD3 -0.40 0.01 0.07 -0.04 3.22 2.86 2zi5A1 TRP 1092 H 0.11 0.22 0.05 -0.55 7.97 7.81 2zi5A1 TRP 1092 HA 0.07 0.19 0.82 -0.75 4.62 4.95 2zi5A1 TRP 1092 HB2 0.00 0.10 -0.17 -0.04 3.23 3.12 2zi5A1 TRP 1092 HB3 0.06 -0.06 0.02 -0.04 3.23 3.21 2zi5A1 TRP 1092 HD1 0.00 0.17 -0.11 -0.04 7.22 7.25 2zi5A1 TRP 1092 HE1 0.01 0.02 -0.04 -0.04 10.20 10.15 2zi5A1 TRP 1092 HE3 0.05 -0.11 0.00 -0.04 7.59 7.49 2zi5A1 TRP 1092 HZ2 0.00 0.02 -0.04 -0.04 7.44 7.38 2zi5A1 TRP 1092 HZ3 0.00 -0.02 -0.02 -0.04 7.13 7.05 2zi5A1 TRP 1092 HH2 -0.01 0.01 -0.03 -0.04 7.19 7.12 2zi5A1 SER 1093 H 0.13 0.42 -0.07 -0.55 8.46 8.39 2zi5A1 SER 1093 HA 0.15 0.05 0.29 -0.75 4.49 4.22 2zi5A1 SER 1093 HB2 0.10 0.19 0.03 -0.04 3.95 4.23 2zi5A1 SER 1093 HB3 0.09 -0.08 -0.12 -0.04 3.93 3.78 2zi5A1 PHE 1094 H 0.24 0.22 -0.12 -0.55 8.34 8.13 2zi5A1 PHE 1094 HA 0.03 0.07 0.38 -0.75 4.62 4.35 2zi5A1 PHE 1094 HB2 0.04 -0.01 0.08 -0.04 3.15 3.21 2zi5A1 PHE 1094 HB3 0.02 0.06 0.03 -0.04 3.06 3.13 2zi5A1 PHE 1094 HD2 0.04 0.01 -0.11 -0.04 7.28 7.17 2zi5A1 PHE 1094 HE2 0.02 0.05 -0.04 -0.04 7.38 7.36 2zi5A1 PHE 1094 HZ -0.08 0.03 -0.08 -0.04 7.32 7.15 2zi5A1 THR 1095 H 0.28 0.13 -0.46 -0.55 8.28 7.68 2zi5A1 THR 1095 HA 0.02 0.07 0.33 -0.75 4.39 4.06 2zi5A1 THR 1095 HB 0.52 0.10 0.07 -0.04 4.32 4.98 2zi5A1 THR 1095 HG23 0.18 -0.00 -0.13 -0.04 1.22 1.22 2zi5A1 PHE 1096 H 0.34 0.60 -0.07 -0.55 8.34 8.65 2zi5A1 PHE 1096 HA 0.16 0.02 0.42 -0.75 4.62 4.46 2zi5A1 PHE 1096 HB2 0.11 0.09 0.06 -0.04 3.15 3.38 2zi5A1 PHE 1096 HB3 0.08 0.05 0.10 -0.04 3.06 3.25 2zi5A1 PHE 1096 HD2 0.05 0.00 -0.31 -0.04 7.28 6.98 2zi5A1 PHE 1096 HE2 0.08 -0.01 -0.07 -0.04 7.38 7.34 2zi5A1 PHE 1096 HZ 0.07 -0.00 -0.04 -0.04 7.32 7.31 2zi5A1 GLN 1097 H 0.14 0.58 -0.14 -0.55 8.47 8.50 2zi5A1 GLN 1097 HA 0.09 -0.02 0.32 -0.75 4.36 4.00 2zi5A1 GLN 1097 HB2 -0.17 0.11 0.13 -0.04 2.15 2.18 2zi5A1 GLN 1097 HB3 -0.19 -0.04 -0.02 -0.04 2.02 1.73 2zi5A1 GLN 1097 HG2 0.12 0.21 0.08 -0.04 2.40 2.76 2zi5A1 GLN 1097 HG3 -0.08 -0.05 -0.02 -0.04 2.39 2.20 2zi5A1 GLN 1097 HE21 0.17 -0.04 -0.08 -0.04 6.97 6.98 2zi5A1 GLN 1097 HE22 0.18 0.06 -0.10 -0.04 7.69 7.79 2zi5A1 THR 1098 H -0.22 0.43 -0.21 -0.55 8.28 7.73 2zi5A1 THR 1098 HA -0.51 0.03 0.42 -0.75 4.39 3.58 2zi5A1 THR 1098 HB -0.22 0.00 0.20 -0.04 4.32 4.26 2zi5A1 THR 1098 HG23 -0.70 -0.01 -0.07 -0.04 1.22 0.40 2zi5A1 TYR 1099 H 0.04 0.45 -0.01 -0.55 8.29 8.22 2zi5A1 TYR 1099 HA 0.02 -0.01 0.34 -0.75 4.56 4.15 2zi5A1 TYR 1099 HB2 -0.07 0.07 0.14 -0.04 3.06 3.15 2zi5A1 TYR 1099 HB3 -0.09 0.09 0.06 -0.04 2.98 3.00 2zi5A1 TYR 1099 HD2 -0.17 0.01 -0.02 -0.04 7.15 6.92 2zi5A1 TYR 1099 HE2 -0.38 -0.04 -0.11 -0.04 6.85 6.28 2zi5A1 ALA 1100 H -0.06 0.62 -0.43 -0.55 8.40 7.98 2zi5A1 ALA 1100 HA -0.21 -0.00 0.36 -0.75 4.34 3.74 2zi5A1 ALA 1100 HB3 -0.38 -0.02 0.05 -0.04 1.41 1.02 2zi5A1 CYS 1101 H 0.12 0.82 0.07 -0.55 8.50 8.96 2zi5A1 CYS 1101 HA 0.04 -0.03 0.55 -0.75 4.58 4.39 2zi5A1 CYS 1101 HB2 0.29 -0.01 0.16 -0.04 2.97 3.36 2zi5A1 CYS 1101 HB3 0.58 0.13 0.18 -0.04 2.97 3.82 2zi5A1 LEU 1102 H 0.29 0.66 0.02 -0.55 8.37 8.79 2zi5A1 LEU 1102 HA 0.10 0.09 0.76 -0.75 4.35 4.55 2zi5A1 LEU 1102 HB2 0.41 0.01 0.06 -0.04 1.64 2.08 2zi5A1 LEU 1102 HB3 0.28 0.04 0.02 -0.04 1.64 1.95 2zi5A1 LEU 1102 HG 0.07 -0.05 -0.13 -0.04 1.64 1.49 2zi5A1 LEU 1102 HD13 0.05 0.01 0.02 -0.04 0.93 0.97 2zi5A1 LEU 1102 HD23 0.18 0.00 -0.08 -0.04 0.89 0.95 2zi5A1 SER 1103 H -0.02 0.50 -0.32 -0.55 8.46 8.09 2zi5A1 SER 1103 HA -0.03 0.04 0.57 -0.75 4.49 4.31 2zi5A1 SER 1103 HB2 -0.18 0.09 0.21 -0.04 3.95 4.03 2zi5A1 SER 1103 HB3 -0.06 -0.09 0.08 -0.04 3.93 3.82 2zi5A1 ARG 1104 H -0.09 0.29 -0.41 -0.55 8.46 7.70 2zi5A1 ARG 1104 HA -0.15 0.06 0.53 -0.75 4.34 4.03 2zi5A1 ARG 1104 HB2 -0.14 0.03 0.12 -0.04 1.90 1.86 2zi5A1 ARG 1104 HB3 -0.09 0.15 0.18 -0.04 1.80 2.01 2zi5A1 ARG 1104 HG2 -0.18 0.01 -0.34 -0.04 1.67 1.12 2zi5A1 ARG 1104 HG3 -0.14 0.01 -0.08 -0.04 1.67 1.42 2zi5A1 ARG 1104 HD2 -0.08 -0.04 -0.26 -0.04 3.22 2.81 2zi5A1 ARG 1104 HD3 -0.08 -0.09 -0.38 -0.04 3.22 2.63 2zi5A1 ILE 1105 H -0.07 0.47 -0.01 -0.55 8.25 8.09 2zi5A1 ILE 1105 HA -0.16 0.02 0.40 -0.75 4.18 3.69 2zi5A1 ILE 1105 HB -0.05 0.00 0.30 -0.04 1.89 2.10 2zi5A1 ILE 1105 HG12 -0.14 -0.03 0.06 -0.04 1.49 1.34 2zi5A1 ILE 1105 HG13 -0.08 0.11 0.12 -0.04 1.21 1.31 2zi5A1 ILE 1105 HG23 -0.14 0.02 -0.09 -0.04 0.93 0.68 2zi5A1 ILE 1105 HD13 -0.15 0.00 -0.09 -0.04 0.88 0.60 2zi5A1 ARG 1106 H -0.07 0.47 -0.21 -0.55 8.46 8.10 2zi5A1 ARG 1106 HA -0.09 0.08 0.44 -0.75 4.34 4.02 2zi5A1 ARG 1106 HB2 -0.03 0.06 0.07 -0.04 1.90 1.96 2zi5A1 ARG 1106 HB3 -0.04 -0.01 0.01 -0.04 1.80 1.72 2zi5A1 ARG 1106 HG2 -0.08 -0.01 0.01 -0.04 1.67 1.55 2zi5A1 ARG 1106 HG3 -0.06 0.02 0.07 -0.04 1.67 1.65 2zi5A1 ARG 1106 HD2 0.00 -0.05 -0.01 -0.04 3.22 3.12 2zi5A1 ARG 1106 HD3 0.02 0.06 0.00 -0.04 3.22 3.25 2zi5A1 ALA 1107 H -0.08 0.28 -0.28 -0.55 8.40 7.78 2zi5A1 ALA 1107 HA -0.04 0.02 0.46 -0.75 4.34 4.02 2zi5A1 ALA 1107 HB3 -0.08 0.05 0.13 -0.04 1.41 1.47 2zi5A1 GLN 1108 H -0.17 0.59 -0.22 -0.55 8.47 8.13 2zi5A1 GLN 1108 HA -0.15 0.02 0.44 -0.75 4.36 3.92 2zi5A1 GLN 1108 HB2 -0.38 0.06 0.08 -0.04 2.15 1.87 2zi5A1 GLN 1108 HB3 -0.66 0.03 0.03 -0.04 2.02 1.38 2zi5A1 GLN 1108 HG2 -0.72 -0.02 -0.01 -0.04 2.40 1.61 2zi5A1 GLN 1108 HG3 -0.36 0.08 -0.01 -0.04 2.39 2.05 2zi5A1 GLN 1108 HE21 -0.23 -0.04 0.08 -0.04 6.97 6.74 2zi5A1 GLN 1108 HE22 -0.26 0.01 -0.05 -0.04 7.69 7.35 2zi5A1 LEU 1109 H -0.11 0.46 -0.12 -0.55 8.37 8.05 2zi5A1 LEU 1109 HA -0.04 0.09 0.49 -0.75 4.35 4.14 2zi5A1 LEU 1109 HB2 -0.07 0.00 0.20 -0.04 1.64 1.73 2zi5A1 LEU 1109 HB3 -0.04 -0.05 -0.01 -0.04 1.64 1.50 2zi5A1 LEU 1109 HG -0.08 0.07 0.02 -0.04 1.64 1.61 2zi5A1 LEU 1109 HD13 -0.06 -0.04 -0.03 -0.04 0.93 0.76 2zi5A1 LEU 1109 HD23 -0.02 -0.00 -0.08 -0.04 0.89 0.75 2zi5A1 ALA 1110 H -0.04 0.76 -0.18 -0.55 8.40 8.39 2zi5A1 ALA 1110 HA -0.01 0.01 0.43 -0.75 4.34 4.02 2zi5A1 ALA 1110 HB3 -0.01 0.00 0.09 -0.04 1.41 1.45 2zi5A1 SER 1111 H -0.00 0.37 -0.19 -0.55 8.46 8.10 2zi5A1 SER 1111 HA 0.03 0.00 0.49 -0.75 4.49 4.26 2zi5A1 SER 1111 HB2 0.03 0.00 0.15 -0.04 3.95 4.09 2zi5A1 SER 1111 HB3 0.09 0.03 -0.07 -0.04 3.93 3.94 2zi5A1 LEU 1112 H 0.03 0.50 -0.18 -0.55 8.37 8.18 2zi5A1 LEU 1112 HA 0.07 0.01 0.20 -0.75 4.35 3.87 2zi5A1 LEU 1112 HB2 0.04 0.18 0.15 -0.04 1.64 1.97 2zi5A1 LEU 1112 HB3 0.02 -0.01 -0.04 -0.04 1.64 1.57 2zi5A1 LEU 1112 HG 0.04 -0.05 0.01 -0.04 1.64 1.59 2zi5A1 LEU 1112 HD13 0.05 -0.00 0.09 -0.04 0.93 1.03 2zi5A1 LEU 1112 HD23 0.12 0.03 -0.03 -0.04 0.89 0.96 2zi5A1 ASN 1113 H 0.02 0.15 -0.84 -0.55 8.53 7.32 2zi5A1 ASN 1113 HA 0.02 0.19 0.74 -0.75 4.76 4.96 2zi5A1 ASN 1113 HB2 0.01 -0.01 0.04 -0.04 2.88 2.89 2zi5A1 ASN 1113 HB3 0.01 -0.05 0.04 -0.04 2.79 2.75 2zi5A1 ASN 1113 HD21 0.00 0.18 -0.01 -0.04 7.03 7.16 2zi5A1 ASN 1113 HD22 0.01 0.13 -0.05 -0.04 7.74 7.79 2zi5A1 ALA 1119 HA 0.01 -0.10 0.09 -0.75 4.34 3.58 2zi5A1 ALA 1119 HB3 0.03 -0.01 -0.13 -0.04 1.41 1.25 2zi5A1 GLU 1120 H 0.00 -0.03 0.03 -0.55 8.60 8.05 2zi5A1 GLU 1120 HA 0.00 0.15 0.51 -0.75 4.29 4.20 2zi5A1 LYS 1121 H 0.02 -0.06 -0.07 -0.55 8.42 7.76 2zi5A1 LYS 1121 HA 0.03 0.33 0.87 -0.75 4.32 4.79 2zi5A1 LYS 1121 HB2 0.08 -0.00 0.17 -0.04 1.87 2.07 2zi5A1 LYS 1121 HB3 0.03 0.07 0.08 -0.04 1.79 1.93 2zi5A1 LYS 1121 HG2 0.01 -0.21 -0.09 -0.04 1.46 1.13 2zi5A1 LYS 1121 HG3 0.02 -0.05 0.04 -0.04 1.46 1.43 2zi5A1 LYS 1121 HD2 0.01 0.07 -0.07 -0.04 1.69 1.65 2zi5A1 LYS 1121 HD3 0.01 -0.06 -0.03 -0.04 1.68 1.55 2zi5A1 LYS 1121 HE2 0.04 -0.04 -0.01 -0.04 2.99 2.95 2zi5A1 LYS 1121 HE3 0.03 0.09 -0.01 -0.04 2.99 3.06 2zi5A1 PRO 1122 HA 0.11 0.07 0.48 -0.51 4.44 4.58 2zi5A1 PRO 1122 HB2 0.02 -0.07 -0.05 -0.04 2.28 2.14 2zi5A1 PRO 1122 HB3 0.05 0.03 -0.06 -0.04 2.02 2.00 2zi5A1 PRO 1122 HG2 0.02 0.01 -0.18 -0.04 2.03 1.83 2zi5A1 PRO 1122 HG3 0.03 0.10 -0.20 -0.04 2.03 1.93 2zi5A1 PRO 1122 HD2 0.02 0.30 -0.03 -0.04 3.68 3.92 2zi5A1 PRO 1122 HD3 0.02 0.17 -0.96 -0.04 3.65 2.85 2zi5A1 VAL 1123 H 0.18 0.77 0.43 -0.55 8.24 9.07 2zi5A1 VAL 1123 HA -0.14 0.17 0.74 -0.75 4.13 4.15 2zi5A1 VAL 1123 HB -0.04 -0.06 0.09 -0.04 2.12 2.07 2zi5A1 VAL 1123 HG13 -0.91 -0.05 -0.17 -0.04 0.97 -0.20 2zi5A1 VAL 1123 HG23 0.11 0.04 -0.16 -0.04 0.95 0.90 2zi5A1 LEU 1124 H -0.27 0.85 0.23 -0.55 8.37 8.63 2zi5A1 LEU 1124 HA -0.01 0.39 0.98 -0.75 4.35 4.95 2zi5A1 LEU 1124 HB2 -0.02 0.04 -0.13 -0.04 1.64 1.49 2zi5A1 LEU 1124 HB3 -0.10 -0.04 0.08 -0.04 1.64 1.54 2zi5A1 LEU 1124 HG 0.14 -0.10 -0.29 -0.04 1.64 1.35 2zi5A1 LEU 1124 HD13 0.08 0.03 -0.26 -0.04 0.93 0.74 2zi5A1 LEU 1124 HD23 0.19 -0.01 -0.22 -0.04 0.89 0.81 2zi5A1 PHE 1125 H 0.19 0.57 0.33 -0.55 8.34 8.88 2zi5A1 PHE 1125 HA -0.25 0.30 0.96 -0.75 4.62 4.87 2zi5A1 PHE 1125 HB2 -0.11 -0.04 0.12 -0.04 3.15 3.08 2zi5A1 PHE 1125 HB3 -0.11 -0.06 -0.04 -0.04 3.06 2.81 2zi5A1 PHE 1125 HD2 -0.22 0.08 -0.12 -0.04 7.28 6.98 2zi5A1 PHE 1125 HE2 -0.86 0.02 -0.14 -0.04 7.38 6.36 2zi5A1 PHE 1125 HZ -1.10 0.02 -0.13 -0.04 7.32 6.07 2zi5A1 PHE 1126 H -0.25 0.52 0.43 -0.55 8.34 8.48 2zi5A1 PHE 1126 HA 0.06 0.12 1.10 -0.75 4.62 5.14 2zi5A1 PHE 1126 HB2 0.07 -0.06 0.09 -0.04 3.15 3.21 2zi5A1 PHE 1126 HB3 0.03 0.07 0.15 -0.04 3.06 3.27 2zi5A1 PHE 1126 HD2 0.04 -0.10 -0.09 -0.04 7.28 7.09 2zi5A1 PHE 1126 HE2 0.01 0.09 -0.07 -0.04 7.38 7.37 2zi5A1 PHE 1126 HZ -0.01 0.16 -0.04 -0.04 7.32 7.40 2zi5A1 GLU 1127 H 0.18 0.79 0.29 -0.55 8.60 9.31 2zi5A1 GLU 1127 HA 0.13 0.09 0.79 -0.75 4.29 4.55 2zi5A1 GLU 1127 HB2 0.08 0.12 0.12 -0.04 2.09 2.37 2zi5A1 GLU 1127 HB3 0.05 -0.47 0.44 -0.04 1.99 1.98 2zi5A1 GLU 1127 HG2 0.08 -0.02 -0.02 -0.04 2.34 2.34 2zi5A1 GLU 1127 HG3 0.07 0.09 -0.07 -0.04 2.34 2.38 2zi5A1 ARG 1128 H 0.19 0.36 0.01 -0.55 8.46 8.48 2zi5A1 ARG 1128 HA 0.23 0.07 0.32 -0.75 4.34 4.20 2zi5A1 ARG 1128 HB2 0.13 0.28 0.42 -0.04 1.90 2.69 2zi5A1 ARG 1128 HB3 0.20 -0.15 0.25 -0.04 1.80 2.05 2zi5A1 ARG 1128 HG2 0.28 -0.08 0.13 -0.04 1.67 1.97 2zi5A1 ARG 1128 HG3 0.21 0.05 -0.04 -0.04 1.67 1.84 2zi5A1 ARG 1128 HD2 0.24 0.02 -0.00 -0.04 3.22 3.44 2zi5A1 ARG 1128 HD3 0.38 -0.10 0.01 -0.04 3.22 3.47 2zi5A1 SER 1129 H 0.22 0.04 0.20 -0.55 8.46 8.37 2zi5A1 SER 1129 HA 0.07 0.35 0.78 -0.75 4.49 4.94 2zi5A1 SER 1129 HB2 0.11 -0.02 0.17 -0.04 3.95 4.17 2zi5A1 SER 1129 HB3 0.36 0.21 -0.14 -0.04 3.93 4.31 2zi5A1 VAL 1130 H -0.27 0.34 0.16 -0.55 8.24 7.92 2zi5A1 VAL 1130 HA -0.07 0.11 0.44 -0.75 4.13 3.85 2zi5A1 VAL 1130 HB -0.05 0.02 0.07 -0.04 2.12 2.12 2zi5A1 VAL 1130 HG13 -0.16 0.04 0.04 -0.04 0.97 0.85 2zi5A1 VAL 1130 HG23 -0.81 0.03 -0.00 -0.04 0.95 0.13 2zi5A1 TYR 1131 H -0.29 0.06 -0.23 -0.55 8.29 7.28 2zi5A1 TYR 1131 HA 0.03 0.16 0.58 -0.75 4.56 4.57 2zi5A1 TYR 1131 HB2 0.01 -0.01 -0.02 -0.04 3.06 3.00 2zi5A1 TYR 1131 HB3 -0.32 0.07 -0.03 -0.04 2.98 2.66 2zi5A1 TYR 1131 HD2 -0.03 -0.01 -0.03 -0.04 7.15 7.04 2zi5A1 TYR 1131 HE2 -0.89 0.06 0.02 -0.04 6.85 6.00 2zi5A1 SER 1132 H 0.21 0.07 -0.18 -0.55 8.46 8.01 2zi5A1 SER 1132 HA 0.07 0.10 0.34 -0.75 4.49 4.24 2zi5A1 SER 1132 HB2 0.27 0.12 0.08 -0.04 3.95 4.39 2zi5A1 SER 1132 HB3 0.30 0.04 0.06 -0.04 3.93 4.30 2zi5A1 ASP 1133 H 0.13 0.35 -0.26 -0.55 8.40 8.07 2zi5A1 ASP 1133 HA 0.31 0.01 0.27 -0.75 4.63 4.46 2zi5A1 ASP 1133 HB2 0.05 0.17 0.09 -0.04 2.71 2.98 2zi5A1 ASP 1133 HB3 0.16 0.02 -0.02 -0.04 2.70 2.82 2zi5A1 ARG 1134 H -0.03 0.30 -0.40 -0.55 8.46 7.77 2zi5A1 ARG 1134 HA 0.15 0.02 0.55 -0.75 4.34 4.31 2zi5A1 ARG 1134 HB2 -0.80 0.03 0.07 -0.04 1.90 1.16 2zi5A1 ARG 1134 HB3 -0.38 0.05 0.20 -0.04 1.80 1.64 2zi5A1 ARG 1134 HG2 -2.15 0.01 -0.15 -0.04 1.67 -0.66 2zi5A1 ARG 1134 HG3 -0.38 -0.06 -0.25 -0.04 1.67 0.94 2zi5A1 ARG 1134 HD2 -0.30 -0.03 -0.06 -0.04 3.22 2.79 2zi5A1 ARG 1134 HD3 -0.26 0.02 -0.04 -0.04 3.22 2.91 2zi5A1 TYR 1135 H -0.04 0.75 0.13 -0.55 8.29 8.58 2zi5A1 TYR 1135 HA 0.07 0.10 0.49 -0.75 4.56 4.47 2zi5A1 TYR 1135 HB2 -0.55 0.01 -0.01 -0.04 3.06 2.47 2zi5A1 TYR 1135 HB3 -0.23 0.03 0.10 -0.04 2.98 2.84 2zi5A1 TYR 1135 HD2 -0.06 0.03 0.01 -0.04 7.15 7.09 2zi5A1 TYR 1135 HE2 0.26 0.02 -0.04 -0.04 6.85 7.05 2zi5A1 ILE 1136 H -0.02 0.51 -0.25 -0.55 8.25 7.94 2zi5A1 ILE 1136 HA -0.16 0.29 1.05 -0.75 4.18 4.60 2zi5A1 ILE 1136 HB -0.27 0.12 0.15 -0.04 1.89 1.85 2zi5A1 ILE 1136 HG12 -0.15 -0.09 -0.11 -0.04 1.49 1.11 2zi5A1 ILE 1136 HG13 -0.71 -0.07 -0.05 -0.04 1.21 0.34 2zi5A1 ILE 1136 HG23 -0.82 -0.01 -0.18 -0.04 0.93 -0.13 2zi5A1 ILE 1136 HD13 -0.23 0.10 -0.20 -0.04 0.88 0.52 2zi5A1 PHE 1137 H 0.10 0.32 0.01 -0.55 8.34 8.21 2zi5A1 PHE 1137 HA 0.09 0.07 0.39 -0.75 4.62 4.41 2zi5A1 PHE 1137 HB2 0.08 0.15 0.22 -0.04 3.15 3.57 2zi5A1 PHE 1137 HB3 0.10 0.00 -0.03 -0.04 3.06 3.09 2zi5A1 PHE 1137 HD2 0.13 0.00 -0.14 -0.04 7.28 7.23 2zi5A1 PHE 1137 HE2 0.15 -0.01 -0.09 -0.04 7.38 7.40 2zi5A1 PHE 1137 HZ 0.14 -0.01 -0.08 -0.04 7.32 7.33 2zi5A1 ALA 1138 H 0.21 0.71 0.27 -0.55 8.40 9.04 2zi5A1 ALA 1138 HA 0.05 -0.02 0.35 -0.75 4.34 3.97 2zi5A1 ALA 1138 HB3 -0.08 0.01 0.12 -0.04 1.41 1.41 2zi5A1 SER 1139 H 0.16 0.43 -0.30 -0.55 8.46 8.19 2zi5A1 SER 1139 HA -0.49 0.01 0.33 -0.75 4.49 3.58 2zi5A1 SER 1139 HB2 0.07 0.02 -0.28 -0.04 3.95 3.72 2zi5A1 SER 1139 HB3 0.00 0.03 -0.11 -0.04 3.93 3.82 2zi5A1 ASN 1140 H -0.01 0.42 -0.19 -0.55 8.53 8.20 2zi5A1 ASN 1140 HA -0.03 0.01 0.36 -0.75 4.76 4.34 2zi5A1 ASN 1140 HB2 0.01 0.11 0.12 -0.04 2.88 3.07 2zi5A1 ASN 1140 HB3 0.09 0.10 0.19 -0.04 2.79 3.13 2zi5A1 ASN 1140 HD21 0.16 -0.03 -0.04 -0.04 7.03 7.07 2zi5A1 ASN 1140 HD22 0.05 0.04 -0.02 -0.04 7.74 7.76 2zi5A1 LEU 1141 H 0.04 0.67 -0.18 -0.55 8.37 8.35 2zi5A1 LEU 1141 HA 0.00 0.02 0.27 -0.75 4.35 3.89 2zi5A1 LEU 1141 HB2 0.05 0.13 0.01 -0.04 1.64 1.79 2zi5A1 LEU 1141 HB3 0.04 -0.09 -0.09 -0.04 1.64 1.46 2zi5A1 LEU 1141 HG 0.12 0.03 -0.01 -0.04 1.64 1.74 2zi5A1 LEU 1141 HD13 0.10 -0.02 -0.15 -0.04 0.93 0.82 2zi5A1 LEU 1141 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.81 2zi5A1 TYR 1142 H -0.14 0.61 -0.44 -0.55 8.29 7.78 2zi5A1 TYR 1142 HA -0.19 -0.06 0.64 -0.75 4.56 4.20 2zi5A1 TYR 1142 HB2 -0.61 -0.09 0.06 -0.04 3.06 2.37 2zi5A1 TYR 1142 HB3 -1.08 0.29 0.24 -0.04 2.98 2.40 2zi5A1 TYR 1142 HD2 -0.68 0.08 -0.08 -0.04 7.15 6.43 2zi5A1 TYR 1142 HE2 -0.11 -0.07 -0.16 -0.04 6.85 6.47 2zi5A1 GLU 1143 H -0.28 0.61 0.12 -0.55 8.60 8.50 2zi5A1 GLU 1143 HA -0.48 0.01 0.46 -0.75 4.29 3.53 2zi5A1 GLU 1143 HB2 -0.14 0.08 0.18 -0.04 2.09 2.16 2zi5A1 GLU 1143 HB3 -0.13 -0.03 -0.04 -0.04 1.99 1.76 2zi5A1 GLU 1143 HG2 -0.15 -0.02 0.05 -0.04 2.34 2.17 2zi5A1 GLU 1143 HG3 -0.21 -0.01 -0.00 -0.04 2.34 2.07 2zi5A1 SER 1144 H -0.13 0.38 -0.28 -0.55 8.46 7.88 2zi5A1 SER 1144 HA -0.09 0.10 0.59 -0.75 4.49 4.34 2zi5A1 SER 1144 HB2 -0.04 -0.03 0.07 -0.04 3.95 3.91 2zi5A1 SER 1144 HB3 -0.03 -0.04 0.01 -0.04 3.93 3.83 2zi5A1 GLU 1145 H -0.20 0.33 -0.63 -0.55 8.60 7.56 2zi5A1 GLU 1145 HA -0.13 0.20 0.35 -0.75 4.29 3.95 2zi5A1 GLU 1145 HB2 -0.07 0.23 -0.04 -0.04 2.09 2.17 2zi5A1 GLU 1145 HB3 -0.05 -0.09 0.25 -0.04 1.99 2.05 2zi5A1 GLU 1145 HG2 -0.08 -0.08 0.03 -0.04 2.34 2.16 2zi5A1 GLU 1145 HG3 -0.15 0.08 -0.10 -0.04 2.34 2.13 2zi5A1 SER 1146 H -0.04 0.73 0.10 -0.55 8.46 8.71 2zi5A1 SER 1146 HA -0.01 0.13 0.80 -0.75 4.49 4.66 2zi5A1 SER 1146 HB2 0.01 -0.04 -0.05 -0.04 3.95 3.83 2zi5A1 SER 1146 HB3 -0.01 -0.15 -0.26 -0.04 3.93 3.48 2zi5A1 MET 1147 H 0.05 0.23 0.11 -0.55 8.47 8.31 2zi5A1 MET 1147 HA 0.10 0.12 0.68 -0.75 4.52 4.67 2zi5A1 MET 1147 HB2 0.20 0.01 -0.03 -0.04 2.15 2.29 2zi5A1 MET 1147 HB3 0.25 -0.02 -0.06 -0.04 2.03 2.16 2zi5A1 MET 1147 HG2 0.21 -0.06 -0.02 -0.04 2.63 2.71 2zi5A1 MET 1147 HG3 0.13 0.01 -0.33 -0.04 2.56 2.33 2zi5A1 MET 1147 HE3 0.06 -0.00 -0.10 -0.04 2.10 2.02 2zi5A1 ASN 1148 H 0.08 0.05 0.07 -0.55 8.53 8.18 2zi5A1 ASN 1148 HA 0.13 0.30 0.76 -0.75 4.76 5.20 2zi5A1 ASN 1148 HB2 0.05 -0.02 0.19 -0.04 2.88 3.06 2zi5A1 ASN 1148 HB3 0.03 0.17 0.07 -0.04 2.79 3.02 2zi5A1 ASN 1148 HD21 -0.05 0.02 0.04 -0.04 7.03 6.99 2zi5A1 ASN 1148 HD22 -0.02 0.13 0.04 -0.04 7.74 7.86 2zi5A1 GLU 1149 H 0.16 0.22 0.15 -0.55 8.60 8.59 2zi5A1 GLU 1149 HA 0.25 0.12 0.43 -0.75 4.29 4.34 2zi5A1 GLU 1149 HB2 0.11 -0.03 0.17 -0.04 2.09 2.30 2zi5A1 GLU 1149 HB3 0.11 0.04 -0.03 -0.04 1.99 2.07 2zi5A1 GLU 1149 HG2 0.20 0.03 0.04 -0.04 2.34 2.58 2zi5A1 GLU 1149 HG3 0.26 0.03 0.08 -0.04 2.34 2.67 2zi5A1 THR 1150 H 0.05 0.12 -0.12 -0.55 8.28 7.78 2zi5A1 THR 1150 HA 0.02 0.09 0.34 -0.75 4.39 4.08 2zi5A1 THR 1150 HB -0.04 -0.05 0.08 -0.04 4.32 4.27 2zi5A1 THR 1150 HG23 -0.06 0.03 -0.07 -0.04 1.22 1.07 2zi5A1 GLU 1151 H -0.01 0.03 -0.19 -0.55 8.60 7.88 2zi5A1 GLU 1151 HA -0.33 0.06 0.40 -0.75 4.29 3.67 2zi5A1 GLU 1151 HB2 0.11 0.07 0.10 -0.04 2.09 2.33 2zi5A1 GLU 1151 HB3 0.18 0.02 0.00 -0.04 1.99 2.15 2zi5A1 GLU 1151 HG2 -0.39 0.05 0.06 -0.04 2.34 2.02 2zi5A1 GLU 1151 HG3 -0.11 -0.06 0.08 -0.04 2.34 2.21 2zi5A1 TRP 1152 H 0.24 0.53 -0.29 -0.55 7.97 7.90 2zi5A1 TRP 1152 HA 0.03 -0.00 0.25 -0.75 4.62 4.14 2zi5A1 TRP 1152 HB2 -0.51 0.06 -0.01 -0.04 3.23 2.73 2zi5A1 TRP 1152 HB3 -0.41 0.07 0.14 -0.04 3.23 2.99 2zi5A1 TRP 1152 HD1 -0.60 -0.00 -0.07 -0.04 7.22 6.51 2zi5A1 TRP 1152 HE1 -0.09 0.02 -0.07 -0.04 10.20 10.02 2zi5A1 TRP 1152 HE3 -0.05 -0.04 -0.06 -0.04 7.59 7.40 2zi5A1 TRP 1152 HZ2 0.06 0.03 -0.07 -0.04 7.44 7.42 2zi5A1 TRP 1152 HZ3 -0.07 -0.12 -0.29 -0.04 7.13 6.62 2zi5A1 TRP 1152 HH2 -0.01 0.07 -0.12 -0.04 7.19 7.08 2zi5A1 THR 1153 H 0.07 0.71 -0.02 -0.55 8.28 8.50 2zi5A1 THR 1153 HA -0.25 0.01 0.35 -0.75 4.39 3.75 2zi5A1 THR 1153 HB 0.00 0.05 0.15 -0.04 4.32 4.48 2zi5A1 THR 1153 HG23 -0.03 -0.01 -0.06 -0.04 1.22 1.08 2zi5A1 ILE 1154 H 0.04 0.63 -0.06 -0.55 8.25 8.31 2zi5A1 ILE 1154 HA 0.07 -0.02 0.42 -0.75 4.18 3.90 2zi5A1 ILE 1154 HB 0.10 0.14 0.14 -0.04 1.89 2.23 2zi5A1 ILE 1154 HG12 0.00 -0.07 0.04 -0.04 1.49 1.42 2zi5A1 ILE 1154 HG13 -0.02 0.43 0.13 -0.04 1.21 1.70 2zi5A1 ILE 1154 HG23 0.15 -0.02 -0.07 -0.04 0.93 0.95 2zi5A1 ILE 1154 HD13 -0.11 -0.03 -0.06 -0.04 0.88 0.64 2zi5A1 TYR 1155 H 0.32 0.46 -0.31 -0.55 8.29 8.21 2zi5A1 TYR 1155 HA 0.24 0.00 0.43 -0.75 4.56 4.48 2zi5A1 TYR 1155 HB2 0.19 -0.02 0.07 -0.04 3.06 3.25 2zi5A1 TYR 1155 HB3 0.15 0.13 0.15 -0.04 2.98 3.36 2zi5A1 TYR 1155 HD2 -0.24 0.04 -0.10 -0.04 7.15 6.81 2zi5A1 TYR 1155 HE2 0.04 0.01 -0.14 -0.04 6.85 6.71 2zi5A1 GLN 1156 H -0.17 0.62 -0.01 -0.55 8.47 8.36 2zi5A1 GLN 1156 HA -0.27 -0.04 0.43 -0.75 4.36 3.73 2zi5A1 GLN 1156 HB2 -0.43 0.13 0.18 -0.04 2.15 2.00 2zi5A1 GLN 1156 HB3 -0.25 -0.02 -0.03 -0.04 2.02 1.68 2zi5A1 GLN 1156 HG2 -0.51 -0.05 -0.00 -0.04 2.40 1.80 2zi5A1 GLN 1156 HG3 -1.26 -0.01 0.02 -0.04 2.39 1.10 2zi5A1 GLN 1156 HE21 -0.04 0.00 -0.06 -0.04 6.97 6.83 2zi5A1 GLN 1156 HE22 -0.16 -0.02 -0.05 -0.04 7.69 7.42 2zi5A1 ASP 1157 H -0.04 0.69 -0.05 -0.55 8.40 8.45 2zi5A1 ASP 1157 HA 0.00 0.01 0.35 -0.75 4.63 4.24 2zi5A1 ASP 1157 HB2 0.01 0.02 0.08 -0.04 2.71 2.78 2zi5A1 ASP 1157 HB3 0.08 0.05 0.17 -0.04 2.70 2.96 2zi5A1 TRP 1158 H 0.27 0.49 -0.02 -0.55 7.97 8.16 2zi5A1 TRP 1158 HA 0.08 -0.02 0.40 -0.75 4.62 4.33 2zi5A1 TRP 1158 HB2 0.04 0.02 0.15 -0.04 3.23 3.40 2zi5A1 TRP 1158 HB3 -0.04 0.15 0.21 -0.04 3.23 3.52 2zi5A1 TRP 1158 HD1 0.07 -0.00 0.00 -0.04 7.22 7.25 2zi5A1 TRP 1158 HE1 0.14 0.01 -0.04 -0.04 10.20 10.27 2zi5A1 TRP 1158 HE3 -0.36 0.15 0.02 -0.04 7.59 7.35 2zi5A1 TRP 1158 HZ2 0.07 -0.00 -0.04 -0.04 7.44 7.42 2zi5A1 TRP 1158 HZ3 -0.01 -0.02 -0.04 -0.04 7.13 7.02 2zi5A1 TRP 1158 HH2 0.05 -0.02 0.01 -0.04 7.19 7.20 2zi5A1 HIS 1159 H 0.14 0.81 -0.13 -0.55 8.41 8.68 2zi5A1 HIS 1159 HA -0.79 -0.06 0.39 -0.75 4.63 3.43 2zi5A1 HIS 1159 HB2 -0.55 0.01 0.10 -0.04 3.26 2.78 2zi5A1 HIS 1159 HB3 -0.29 0.10 0.22 -0.04 3.20 3.19 2zi5A1 HIS 1159 HD2 -0.27 -0.03 0.01 -0.04 6.97 6.64 2zi5A1 HIS 1159 HE1 0.20 -0.07 -0.09 -0.04 7.75 7.74 2zi5A1 ASP 1160 H -0.03 0.72 0.04 -0.55 8.40 8.59 2zi5A1 ASP 1160 HA -0.16 -0.05 0.39 -0.75 4.63 4.05 2zi5A1 ASP 1160 HB2 -0.02 0.31 0.29 -0.04 2.71 3.25 2zi5A1 ASP 1160 HB3 -0.01 -0.06 -0.04 -0.04 2.70 2.56 2zi5A1 TRP 1161 H 0.07 0.44 -0.47 -0.55 7.97 7.47 2zi5A1 TRP 1161 HA -0.15 0.03 0.71 -0.75 4.62 4.45 2zi5A1 TRP 1161 HB2 -0.08 0.01 -0.00 -0.04 3.23 3.11 2zi5A1 TRP 1161 HB3 -0.13 0.10 0.07 -0.04 3.23 3.23 2zi5A1 TRP 1161 HD1 -0.07 0.01 -0.00 -0.04 7.22 7.12 2zi5A1 TRP 1161 HE1 -0.06 0.00 0.02 -0.04 10.20 10.12 2zi5A1 TRP 1161 HE3 -0.08 0.10 -0.32 -0.04 7.59 7.24 2zi5A1 TRP 1161 HZ2 -0.02 0.01 0.02 -0.04 7.44 7.40 2zi5A1 TRP 1161 HZ3 0.22 0.00 -0.02 -0.04 7.13 7.30 2zi5A1 TRP 1161 HH2 0.13 0.01 0.01 -0.04 7.19 7.30 2zi5A1 MET 1162 H -0.35 0.56 0.15 -0.55 8.47 8.29 2zi5A1 MET 1162 HA -0.04 0.07 0.56 -0.75 4.52 4.36 2zi5A1 MET 1162 HB2 -1.55 0.12 0.01 -0.04 2.15 0.69 2zi5A1 MET 1162 HB3 -0.79 -0.02 0.02 -0.04 2.03 1.20 2zi5A1 MET 1162 HG2 -0.79 -0.07 -0.04 -0.04 2.63 1.69 2zi5A1 MET 1162 HG3 -0.21 -0.01 0.04 -0.04 2.56 2.34 2zi5A1 MET 1162 HE3 0.50 -0.02 -0.01 -0.04 2.10 2.54 2zi5A1 ASN 1163 H -0.30 0.49 -0.16 -0.55 8.53 8.01 2zi5A1 ASN 1163 HA -0.13 0.21 0.54 -0.75 4.76 4.63 2zi5A1 ASN 1163 HB2 -0.40 0.12 0.04 -0.04 2.88 2.60 2zi5A1 ASN 1163 HB3 -0.12 -0.02 0.14 -0.04 2.79 2.75 2zi5A1 ASN 1163 HD21 -0.25 -0.04 0.01 -0.04 7.03 6.71 2zi5A1 ASN 1163 HD22 -0.20 0.01 0.02 -0.04 7.74 7.53 2zi5A1 ASN 1164 H -0.37 0.06 -0.51 -0.55 8.53 7.16 2zi5A1 ASN 1164 HA -0.14 0.16 0.66 -0.75 4.76 4.69 2zi5A1 ASN 1164 HB2 -0.33 -0.01 0.15 -0.04 2.88 2.65 2zi5A1 ASN 1164 HB3 -0.22 -0.04 0.04 -0.04 2.79 2.53 2zi5A1 ASN 1164 HD21 -0.14 -0.02 0.08 -0.04 7.03 6.90 2zi5A1 ASN 1164 HD22 -0.12 -0.08 0.05 -0.04 7.74 7.55 2zi5A1 GLN 1165 H -0.82 0.29 0.03 -0.55 8.47 7.42 2zi5A1 GLN 1165 HA -0.76 0.06 0.46 -0.75 4.36 3.37 2zi5A1 GLN 1165 HB2 -1.67 0.17 0.17 -0.04 2.15 0.78 2zi5A1 GLN 1165 HB3 -2.42 -0.00 -0.00 -0.04 2.02 -0.44 2zi5A1 GLN 1165 HG2 -2.55 0.06 0.15 -0.04 2.40 0.03 2zi5A1 GLN 1165 HG3 -1.83 -0.02 0.08 -0.04 2.39 0.57 2zi5A1 GLN 1165 HE21 -0.33 0.00 -0.02 -0.04 6.97 6.59 2zi5A1 GLN 1165 HE22 -0.69 -0.01 -0.00 -0.04 7.69 6.95 2zi5A1 PHE 1166 H -0.45 0.03 -0.57 -0.55 8.34 6.80 2zi5A1 PHE 1166 HA -0.14 0.11 0.63 -0.75 4.62 4.46 2zi5A1 PHE 1166 HB2 -0.18 0.11 0.20 -0.04 3.15 3.24 2zi5A1 PHE 1166 HB3 -0.12 0.02 0.09 -0.04 3.06 3.00 2zi5A1 PHE 1166 HD2 -0.20 0.32 0.06 -0.04 7.28 7.42 2zi5A1 PHE 1166 HE2 -0.15 -0.00 0.01 -0.04 7.38 7.19 2zi5A1 PHE 1166 HZ -0.01 -0.02 -0.01 -0.04 7.32 7.23 2zi5A1 GLY 1167 H -0.13 0.36 -0.23 -0.55 8.43 7.88 2zi5A1 GLY 1167 HA2 -0.04 0.19 0.73 -0.51 4.01 4.38 2zi5A1 GLY 1167 HA3 -0.06 0.10 0.20 -0.51 4.01 3.74 2zi5A1 GLN 1168 H -0.04 0.08 -0.15 -0.55 8.47 7.81 2zi5A1 GLN 1168 HA -0.04 0.05 0.37 -0.75 4.36 3.99 2zi5A1 GLN 1168 HB2 -0.02 0.07 0.08 -0.04 2.15 2.24 2zi5A1 GLN 1168 HB3 -0.04 0.00 0.12 -0.04 2.02 2.06 2zi5A1 GLN 1168 HG2 0.01 -0.03 0.01 -0.04 2.40 2.35 2zi5A1 GLN 1168 HG3 0.01 0.07 0.05 -0.04 2.39 2.48 2zi5A1 GLN 1168 HE21 0.08 0.00 0.03 -0.04 6.97 7.04 2zi5A1 GLN 1168 HE22 0.03 0.03 0.01 -0.04 7.69 7.73 2zi5A1 SER 1169 H -0.03 0.31 0.51 -0.55 8.46 8.71 2zi5A1 SER 1169 HA -0.00 0.04 0.39 -0.75 4.49 4.16 2zi5A1 LEU 1170 H 0.01 0.14 -0.63 -0.55 8.37 7.34 2zi5A1 LEU 1170 HA 0.12 0.25 0.82 -0.75 4.35 4.79 2zi5A1 LEU 1170 HB2 -0.03 0.05 -0.02 -0.04 1.64 1.59 2zi5A1 LEU 1170 HB3 -0.07 -0.14 0.07 -0.04 1.64 1.45 2zi5A1 LEU 1170 HG -0.07 0.05 -0.10 -0.04 1.64 1.48 2zi5A1 LEU 1170 HD13 -0.24 -0.02 0.04 -0.04 0.93 0.67 2zi5A1 LEU 1170 HD23 -0.05 0.02 -0.30 -0.04 0.89 0.52 2zi5A1 GLU 1171 H 0.03 0.04 -0.19 -0.55 8.60 7.94 2zi5A1 GLU 1171 HA 0.20 -0.07 0.53 -0.75 4.29 4.19 2zi5A1 GLU 1171 HB2 -0.07 0.04 0.20 -0.04 2.09 2.21 2zi5A1 GLU 1171 HB3 -0.14 0.07 0.00 -0.04 1.99 1.89 2zi5A1 GLU 1171 HG2 -0.35 -0.08 0.10 -0.04 2.34 1.96 2zi5A1 GLU 1171 HG3 -0.28 -0.01 0.07 -0.04 2.34 2.08 2zi5A1 LEU 1172 H 0.44 -0.01 0.17 -0.55 8.37 8.42 2zi5A1 LEU 1172 HA 0.09 0.18 0.52 -0.75 4.35 4.38 2zi5A1 LEU 1172 HB2 0.36 -0.06 0.06 -0.04 1.64 1.96 2zi5A1 LEU 1172 HB3 0.16 0.12 0.02 -0.04 1.64 1.90 2zi5A1 LEU 1172 HG 0.50 -0.03 0.10 -0.04 1.64 2.17 2zi5A1 LEU 1172 HD13 0.41 -0.04 -0.01 -0.04 0.93 1.25 2zi5A1 LEU 1172 HD23 0.23 0.01 -0.13 -0.04 0.89 0.95 2zi5A1 ASP 1173 H -0.03 0.85 0.49 -0.55 8.40 9.15 2zi5A1 ASP 1173 HA 0.01 0.10 0.79 -0.75 4.63 4.78 2zi5A1 ASP 1173 HB2 -0.10 0.04 0.08 -0.04 2.71 2.69 2zi5A1 ASP 1173 HB3 -0.08 -0.02 0.03 -0.04 2.70 2.59 2zi5A1 GLY 1174 H 0.00 0.27 0.34 -0.55 8.43 8.50 2zi5A1 GLY 1174 HA2 0.09 0.29 0.51 -0.51 4.01 4.38 2zi5A1 GLY 1174 HA3 0.13 0.01 0.34 -0.51 4.01 3.98 2zi5A1 ILE 1175 H 0.21 0.66 0.34 -0.55 8.25 8.91 2zi5A1 ILE 1175 HA 0.03 0.10 0.95 -0.75 4.18 4.51 2zi5A1 ILE 1175 HB -0.14 0.11 0.06 -0.04 1.89 1.88 2zi5A1 ILE 1175 HG12 0.06 -0.09 -0.01 -0.04 1.49 1.40 2zi5A1 ILE 1175 HG13 0.02 0.03 -0.61 -0.04 1.21 0.61 2zi5A1 ILE 1175 HG23 -0.22 -0.04 -0.23 -0.04 0.93 0.40 2zi5A1 ILE 1175 HD13 -0.18 0.00 -0.13 -0.04 0.88 0.53 2zi5A1 ILE 1176 H -0.01 1.08 0.44 -0.55 8.25 9.22 2zi5A1 ILE 1176 HA -0.24 0.20 1.10 -0.75 4.18 4.48 2zi5A1 ILE 1176 HB -0.00 -0.03 0.17 -0.04 1.89 1.98 2zi5A1 ILE 1176 HG12 -0.45 0.01 -0.09 -0.04 1.49 0.93 2zi5A1 ILE 1176 HG13 -0.26 -0.01 -0.50 -0.04 1.21 0.39 2zi5A1 ILE 1176 HG23 -0.14 -0.02 -0.17 -0.04 0.93 0.56 2zi5A1 ILE 1176 HD13 0.16 0.01 -0.16 -0.04 0.88 0.85 2zi5A1 TYR 1177 H -0.07 0.89 0.27 -0.55 8.29 8.84 2zi5A1 TYR 1177 HA -0.13 -0.03 0.58 -0.75 4.56 4.22 2zi5A1 TYR 1177 HB2 -0.22 0.04 -0.05 -0.04 3.06 2.78 2zi5A1 TYR 1177 HB3 -0.19 0.02 0.12 -0.04 2.98 2.89 2zi5A1 TYR 1177 HD2 -0.16 0.08 -0.27 -0.04 7.15 6.76 2zi5A1 TYR 1177 HE2 -0.26 -0.05 -0.13 -0.04 6.85 6.37 2zi5A1 LEU 1178 H 0.00 0.54 0.28 -0.55 8.37 8.64 2zi5A1 LEU 1178 HA -0.31 0.07 0.68 -0.75 4.35 4.03 2zi5A1 LEU 1178 HB2 -0.07 -0.01 0.18 -0.04 1.64 1.70 2zi5A1 LEU 1178 HB3 -0.17 -0.01 -0.09 -0.04 1.64 1.33 2zi5A1 LEU 1178 HG -0.05 0.15 0.09 -0.04 1.64 1.80 2zi5A1 LEU 1178 HD13 -0.05 -0.04 -0.18 -0.04 0.93 0.63 2zi5A1 LEU 1178 HD23 -0.34 -0.02 -0.27 -0.04 0.89 0.22 2zi5A1 GLN 1179 H -0.43 0.92 0.39 -0.55 8.47 8.80 2zi5A1 GLN 1179 HA -0.72 0.02 0.66 -0.75 4.36 3.57 2zi5A1 GLN 1179 HB2 -0.58 0.15 0.05 -0.04 2.15 1.73 2zi5A1 GLN 1179 HB3 -0.30 -0.12 0.02 -0.04 2.02 1.58 2zi5A1 GLN 1179 HG2 -0.35 -0.04 -0.06 -0.04 2.40 1.91 2zi5A1 GLN 1179 HG3 -1.14 0.01 -0.12 -0.04 2.39 1.10 2zi5A1 GLN 1179 HE21 -0.04 0.03 -0.08 -0.04 6.97 6.84 2zi5A1 GLN 1179 HE22 -0.01 -0.05 -0.08 -0.04 7.69 7.51 2zi5A1 ALA 1180 H -0.05 0.24 0.18 -0.55 8.40 8.22 2zi5A1 ALA 1180 HA -0.04 0.09 0.79 -0.75 4.34 4.43 2zi5A1 ALA 1180 HB3 -0.01 0.02 -0.12 -0.04 1.41 1.27 2zi5A1 THR 1181 H -0.02 0.12 0.15 -0.55 8.28 7.98 2zi5A1 THR 1181 HA -0.21 0.22 0.70 -0.75 4.39 4.34 2zi5A1 THR 1181 HB -0.10 0.10 0.16 -0.04 4.32 4.44 2zi5A1 THR 1181 HG23 -0.03 0.04 0.07 -0.04 1.22 1.27 2zi5A1 PRO 1182 HA -0.02 0.11 0.38 -0.51 4.44 4.40 2zi5A1 PRO 1182 HB2 -0.06 0.04 -0.09 -0.04 2.28 2.13 2zi5A1 PRO 1182 HB3 -0.02 0.02 -0.12 -0.04 2.02 1.85 2zi5A1 PRO 1182 HG2 -0.18 0.06 0.05 -0.04 2.03 1.92 2zi5A1 PRO 1182 HG3 -0.23 0.10 0.05 -0.04 2.03 1.91 2zi5A1 PRO 1182 HD2 -0.24 0.10 0.21 -0.04 3.68 3.71 2zi5A1 PRO 1182 HD3 -0.81 0.21 0.29 -0.04 3.65 3.30 2zi5A1 GLU 1183 H -0.05 0.07 -0.40 -0.55 8.60 7.67 2zi5A1 GLU 1183 HA 0.00 0.15 0.48 -0.75 4.29 4.17 2zi5A1 GLU 1183 HB2 -0.02 -0.03 0.02 -0.04 2.09 2.02 2zi5A1 GLU 1183 HB3 -0.01 0.08 0.02 -0.04 1.99 2.04 2zi5A1 GLU 1183 HG2 -0.02 0.07 -0.00 -0.04 2.34 2.35 2zi5A1 GLU 1183 HG3 -0.01 0.04 -0.03 -0.04 2.34 2.30 2zi5A1 THR 1184 H -0.00 0.08 -0.22 -0.55 8.28 7.59 2zi5A1 THR 1184 HA 0.06 0.12 0.60 -0.75 4.39 4.41 2zi5A1 THR 1184 HB 0.01 0.12 0.20 -0.04 4.32 4.61 2zi5A1 THR 1184 HG23 0.03 0.04 -0.11 -0.04 1.22 1.14 2zi5A1 CYS 1185 H 0.02 0.37 -0.15 -0.55 8.50 8.19 2zi5A1 CYS 1185 HA 0.05 0.21 0.18 -0.75 4.58 4.26 2zi5A1 CYS 1185 HB2 0.05 -0.01 0.01 -0.04 2.97 2.98 2zi5A1 CYS 1185 HB3 0.06 0.36 -0.06 -0.04 2.97 3.29 2zi5A1 LEU 1186 H 0.06 0.23 -0.56 -0.55 8.37 7.56 2zi5A1 LEU 1186 HA 0.09 0.09 0.47 -0.75 4.35 4.25 2zi5A1 LEU 1186 HB2 0.05 0.07 0.11 -0.04 1.64 1.83 2zi5A1 LEU 1186 HB3 0.05 0.05 0.04 -0.04 1.64 1.74 2zi5A1 LEU 1186 HG 0.06 -0.02 0.04 -0.04 1.64 1.67 2zi5A1 LEU 1186 HD13 0.07 0.03 0.00 -0.04 0.93 0.99 2zi5A1 LEU 1186 HD23 0.02 -0.02 -0.01 -0.04 0.89 0.84 2zi5A1 HIS 1187 H 0.16 0.38 -0.23 -0.55 8.41 8.17 2zi5A1 HIS 1187 HA 0.11 0.12 0.69 -0.75 4.63 4.80 2zi5A1 HIS 1187 HB2 0.04 0.06 0.18 -0.04 3.26 3.50 2zi5A1 HIS 1187 HB3 0.02 0.05 0.05 -0.04 3.20 3.28 2zi5A1 HIS 1187 HD2 0.02 -0.01 0.02 -0.04 6.97 6.95 2zi5A1 HIS 1187 HE1 0.15 0.03 0.01 -0.04 7.75 7.89 2zi5A1 ARG 1188 H 0.11 0.51 -0.10 -0.55 8.46 8.43 2zi5A1 ARG 1188 HA -0.04 -0.01 0.51 -0.75 4.34 4.05 2zi5A1 ARG 1188 HB2 0.04 0.26 0.14 -0.04 1.90 2.30 2zi5A1 ARG 1188 HB3 -0.01 -0.13 0.10 -0.04 1.80 1.72 2zi5A1 ARG 1188 HG2 -0.01 -0.13 0.02 -0.04 1.67 1.51 2zi5A1 ARG 1188 HG3 0.04 0.15 -0.05 -0.04 1.67 1.77 2zi5A1 ARG 1188 HD2 0.00 0.12 -0.11 -0.04 3.22 3.19 2zi5A1 ARG 1188 HD3 -0.06 -0.12 -0.05 -0.04 3.22 2.95 2zi5A1 ILE 1189 H 0.12 0.19 -0.49 -0.55 8.25 7.51 2zi5A1 ILE 1189 HA 0.09 0.01 0.54 -0.75 4.18 4.07 2zi5A1 ILE 1189 HB 0.13 0.19 0.12 -0.04 1.89 2.28 2zi5A1 ILE 1189 HG12 0.10 0.27 0.00 -0.04 1.49 1.82 2zi5A1 ILE 1189 HG13 0.10 -0.13 0.02 -0.04 1.21 1.17 2zi5A1 ILE 1189 HG23 0.10 -0.02 -0.15 -0.04 0.93 0.82 2zi5A1 ILE 1189 HD13 0.12 -0.03 -0.07 -0.04 0.88 0.86 2zi5A1 TYR 1190 H 0.27 0.37 -0.20 -0.55 8.29 8.18 2zi5A1 TYR 1190 HA 0.05 0.02 0.52 -0.75 4.56 4.40 2zi5A1 TYR 1190 HB2 0.09 0.02 0.14 -0.04 3.06 3.27 2zi5A1 TYR 1190 HB3 0.27 0.11 0.20 -0.04 2.98 3.52 2zi5A1 TYR 1190 HD2 0.14 -0.02 0.09 -0.04 7.15 7.31 2zi5A1 TYR 1190 HE2 0.06 -0.02 0.01 -0.04 6.85 6.86 2zi5A1 LEU 1191 H 0.03 0.61 -0.02 -0.55 8.37 8.44 2zi5A1 LEU 1191 HA -0.28 0.03 0.42 -0.75 4.35 3.76 2zi5A1 LEU 1191 HB2 -0.10 -0.09 0.23 -0.04 1.64 1.64 2zi5A1 LEU 1191 HB3 -0.13 -0.02 -0.05 -0.04 1.64 1.40 2zi5A1 LEU 1191 HG -0.26 -0.03 0.01 -0.04 1.64 1.31 2zi5A1 LEU 1191 HD13 -0.63 0.15 -0.01 -0.04 0.93 0.40 2zi5A1 LEU 1191 HD23 -0.24 -0.04 -0.13 -0.04 0.89 0.44 2zi5A1 ARG 1192 H 0.00 0.47 -0.32 -0.55 8.46 8.06 2zi5A1 ARG 1192 HA -0.02 -0.00 0.24 -0.75 4.34 3.80 2zi5A1 ARG 1192 HB2 0.02 0.02 0.10 -0.04 1.90 2.00 2zi5A1 ARG 1192 HB3 0.04 0.04 -0.07 -0.04 1.80 1.77 2zi5A1 ARG 1192 HG2 0.03 0.07 -0.00 -0.04 1.67 1.72 2zi5A1 ARG 1192 HG3 0.01 -0.04 0.04 -0.04 1.67 1.64 2zi5A1 ARG 1192 HD2 0.04 0.01 -0.03 -0.04 3.22 3.20 2zi5A1 ARG 1192 HD3 0.03 -0.11 -0.01 -0.04 3.22 3.09 2zi5A1 GLY 1193 H 0.04 0.19 -0.86 -0.55 8.43 7.25 2zi5A1 GLY 1193 HA2 0.11 -0.01 0.34 -0.51 4.01 3.94 2zi5A1 GLY 1193 HA3 0.04 0.02 0.28 -0.51 4.01 3.84 2zi5A1 ARG 1194 H 0.07 0.19 0.07 -0.55 8.46 8.24 2zi5A1 ARG 1194 HA 0.03 0.24 0.89 -0.75 4.34 4.75 2zi5A1 ARG 1194 HB2 0.05 0.05 -0.13 -0.04 1.90 1.83 2zi5A1 ARG 1194 HB3 0.01 -0.27 -0.11 -0.04 1.80 1.39 2zi5A1 ARG 1194 HG2 0.04 -0.07 0.03 -0.04 1.67 1.63 2zi5A1 ARG 1194 HG3 0.04 0.27 -0.04 -0.04 1.67 1.90 2zi5A1 ARG 1194 HD2 0.06 0.01 -0.16 -0.04 3.22 3.09 2zi5A1 ARG 1194 HD3 0.07 -0.08 -0.07 -0.04 3.22 3.11 2zi5A1 ASN 1195 H -0.00 0.20 0.12 -0.55 8.53 8.30 2zi5A1 ASN 1195 HA -0.02 0.14 0.42 -0.75 4.76 4.54 2zi5A1 ASN 1195 HB2 -0.03 0.00 0.24 -0.04 2.88 3.06 2zi5A1 ASN 1195 HB3 -0.05 0.04 0.15 -0.04 2.79 2.88 2zi5A1 ASN 1195 HD21 -0.00 0.03 0.03 -0.04 7.03 7.05 2zi5A1 ASN 1195 HD22 -0.00 0.01 0.07 -0.04 7.74 7.77 2zi5A1 GLU 1196 H -0.12 0.15 0.08 -0.55 8.60 8.17 2zi5A1 GLU 1196 HA -0.25 0.09 0.34 -0.75 4.29 3.72 2zi5A1 GLU 1196 HB2 -1.14 0.06 0.05 -0.04 2.09 1.02 2zi5A1 GLU 1196 HB3 -0.32 0.02 0.12 -0.04 1.99 1.77 2zi5A1 GLU 1196 HG2 -0.37 0.06 -0.34 -0.04 2.34 1.66 2zi5A1 GLU 1196 HG3 -0.62 0.06 -0.10 -0.04 2.34 1.63 2zi5A1 GLU 1197 H -0.09 -0.00 -0.85 -0.55 8.60 7.11 2zi5A1 GLU 1197 HA -0.03 0.10 0.31 -0.75 4.29 3.92 2zi5A1 GLU 1197 HB2 0.04 0.04 -0.09 -0.04 2.09 2.04 2zi5A1 GLU 1197 HB3 0.08 -0.01 -0.01 -0.04 1.99 2.01 2zi5A1 GLU 1197 HG2 0.03 -0.03 -0.16 -0.04 2.34 2.14 2zi5A1 GLU 1197 HG3 0.04 -0.01 -0.09 -0.04 2.34 2.23 2zi5A1 GLN 1198 H -0.02 0.58 -0.15 -0.55 8.47 8.33 2zi5A1 GLN 1198 HA 0.04 0.00 0.23 -0.75 4.36 3.87 2zi5A1 GLN 1198 HB2 -0.01 0.15 0.15 -0.04 2.15 2.40 2zi5A1 GLN 1198 HB3 -0.02 -0.06 0.07 -0.04 2.02 1.97 2zi5A1 GLN 1198 HG2 0.04 0.25 0.21 -0.04 2.40 2.87 2zi5A1 GLN 1198 HG3 0.03 -0.05 0.08 -0.04 2.39 2.40 2zi5A1 GLN 1198 HE21 0.02 -0.05 0.05 -0.04 6.97 6.95 2zi5A1 GLN 1198 HE22 -0.01 0.02 0.13 -0.04 7.69 7.80 2zi5A1 GLY 1199 H -0.02 0.18 -0.67 -0.55 8.43 7.38 2zi5A1 GLY 1199 HA2 -0.00 0.16 0.78 -0.51 4.01 4.43 2zi5A1 GLY 1199 HA3 -0.01 -0.02 0.25 -0.51 4.01 3.72 2zi5A1 ILE 1200 H 0.06 0.50 -0.06 -0.55 8.25 8.21 2zi5A1 ILE 1200 HA 0.11 0.04 0.52 -0.75 4.18 4.09 2zi5A1 ILE 1200 HB 0.13 0.09 0.18 -0.04 1.89 2.26 2zi5A1 ILE 1200 HG12 0.24 -0.05 0.04 -0.04 1.49 1.68 2zi5A1 ILE 1200 HG13 0.40 -0.09 0.03 -0.04 1.21 1.50 2zi5A1 ILE 1200 HG23 0.21 -0.06 -0.12 -0.04 0.93 0.93 2zi5A1 ILE 1200 HD13 0.20 0.02 0.01 -0.04 0.88 1.07 2zi5A1 PRO 1201 HA 0.04 0.11 0.43 -0.51 4.44 4.51 2zi5A1 PRO 1201 HB2 0.09 -0.26 -0.02 -0.04 2.28 2.05 2zi5A1 PRO 1201 HB3 0.04 0.05 0.15 -0.04 2.02 2.22 2zi5A1 PRO 1201 HG2 0.03 -0.01 0.10 -0.04 2.03 2.11 2zi5A1 PRO 1201 HG3 0.02 0.13 0.14 -0.04 2.03 2.28 2zi5A1 PRO 1201 HD2 0.07 -0.03 0.26 -0.04 3.68 3.94 2zi5A1 PRO 1201 HD3 0.04 0.47 0.38 -0.04 3.65 4.50 2zi5A1 LEU 1202 H 0.04 0.16 0.17 -0.55 8.37 8.20 2zi5A1 LEU 1202 HA 0.06 0.20 0.55 -0.75 4.35 4.41 2zi5A1 LEU 1202 HB2 0.02 0.10 0.10 -0.04 1.64 1.82 2zi5A1 LEU 1202 HB3 0.02 -0.01 0.18 -0.04 1.64 1.79 2zi5A1 LEU 1202 HG 0.02 -0.04 -0.44 -0.04 1.64 1.15 2zi5A1 LEU 1202 HD13 0.01 -0.00 -0.11 -0.04 0.93 0.78 2zi5A1 LEU 1202 HD23 0.00 0.01 -0.03 -0.04 0.89 0.84 2zi5A1 GLU 1203 H 0.05 0.13 -0.03 -0.55 8.60 8.20 2zi5A1 GLU 1203 HA 0.04 0.05 0.27 -0.75 4.29 3.89 2zi5A1 GLU 1203 HB2 0.06 0.05 -0.02 -0.04 2.09 2.14 2zi5A1 GLU 1203 HB3 0.04 0.07 0.04 -0.04 1.99 2.10 2zi5A1 GLU 1203 HG2 0.02 0.10 0.05 -0.04 2.34 2.46 2zi5A1 GLU 1203 HG3 0.02 -0.01 0.08 -0.04 2.34 2.39 2zi5A1 TYR 1204 H 0.19 0.19 -0.64 -0.55 8.29 7.48 2zi5A1 TYR 1204 HA 0.04 0.11 0.50 -0.75 4.56 4.46 2zi5A1 TYR 1204 HB2 0.05 0.04 0.05 -0.04 3.06 3.16 2zi5A1 TYR 1204 HB3 0.06 0.13 0.05 -0.04 2.98 3.18 2zi5A1 TYR 1204 HD2 0.07 0.03 -0.01 -0.04 7.15 7.20 2zi5A1 TYR 1204 HE2 0.12 0.01 -0.06 -0.04 6.85 6.87 2zi5A1 LEU 1205 H 0.10 0.41 -0.01 -0.55 8.37 8.32 2zi5A1 LEU 1205 HA -0.16 -0.03 0.41 -0.75 4.35 3.82 2zi5A1 LEU 1205 HB2 0.03 0.23 0.17 -0.04 1.64 2.03 2zi5A1 LEU 1205 HB3 0.02 -0.11 0.09 -0.04 1.64 1.60 2zi5A1 LEU 1205 HG 0.10 0.23 0.13 -0.04 1.64 2.06 2zi5A1 LEU 1205 HD13 0.07 0.00 -0.03 -0.04 0.93 0.93 2zi5A1 LEU 1205 HD23 0.06 -0.04 0.01 -0.04 0.89 0.88 2zi5A1 GLU 1206 H 0.03 0.31 -0.48 -0.55 8.60 7.91 2zi5A1 GLU 1206 HA 0.07 -0.04 0.58 -0.75 4.29 4.15 2zi5A1 GLU 1206 HB2 0.03 0.23 0.02 -0.04 2.09 2.34 2zi5A1 GLU 1206 HB3 0.03 -0.03 0.05 -0.04 1.99 2.00 2zi5A1 GLU 1206 HG2 0.02 0.05 -0.12 -0.04 2.34 2.25 2zi5A1 GLU 1206 HG3 0.03 -0.08 -0.20 -0.04 2.34 2.05 2zi5A1 LYS 1207 H 0.02 0.34 -0.16 -0.55 8.42 8.07 2zi5A1 LYS 1207 HA 0.03 0.01 0.46 -0.75 4.32 4.06 2zi5A1 LYS 1207 HB2 0.07 0.21 0.36 -0.04 1.87 2.47 2zi5A1 LYS 1207 HB3 0.05 -0.05 0.02 -0.04 1.79 1.77 2zi5A1 LYS 1207 HG2 0.09 0.04 0.07 -0.04 1.46 1.62 2zi5A1 LYS 1207 HG3 0.08 -0.01 0.03 -0.04 1.46 1.51 2zi5A1 LYS 1207 HD2 -0.01 -0.01 0.05 -0.04 1.69 1.68 2zi5A1 LYS 1207 HD3 0.00 -0.06 -0.02 -0.04 1.68 1.56 2zi5A1 LYS 1207 HE2 -0.06 -0.01 -0.01 -0.04 2.99 2.87 2zi5A1 LYS 1207 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.91 2zi5A1 LEU 1208 H -0.14 0.45 -0.16 -0.55 8.37 7.97 2zi5A1 LEU 1208 HA -0.06 0.06 0.44 -0.75 4.35 4.04 2zi5A1 LEU 1208 HB2 -0.09 0.07 0.13 -0.04 1.64 1.72 2zi5A1 LEU 1208 HB3 -0.04 -0.09 0.04 -0.04 1.64 1.51 2zi5A1 LEU 1208 HG -0.83 0.17 -0.10 -0.04 1.64 0.85 2zi5A1 LEU 1208 HD13 -0.42 -0.02 -0.05 -0.04 0.93 0.39 2zi5A1 LEU 1208 HD23 -0.21 -0.02 -0.17 -0.04 0.89 0.45 2zi5A1 HIS 1209 H 0.18 0.48 -0.10 -0.55 8.41 8.42 2zi5A1 HIS 1209 HA 0.18 -0.04 0.48 -0.75 4.63 4.50 2zi5A1 HIS 1209 HB2 0.07 0.11 0.26 -0.04 3.26 3.66 2zi5A1 HIS 1209 HB3 0.12 -0.04 0.29 -0.04 3.20 3.52 2zi5A1 HIS 1209 HD2 0.05 -0.03 0.10 -0.04 6.97 7.04 2zi5A1 HIS 1209 HE1 0.06 0.01 -0.03 -0.04 7.75 7.74 2zi5A1 TYR 1210 H 0.36 0.35 0.08 -0.55 8.29 8.52 2zi5A1 TYR 1210 HA 0.10 -0.05 0.36 -0.75 4.56 4.21 2zi5A1 TYR 1210 HB2 0.09 -0.01 0.15 -0.04 3.06 3.25 2zi5A1 TYR 1210 HB3 0.06 0.18 0.08 -0.04 2.98 3.26 2zi5A1 TYR 1210 HD2 0.04 0.02 -0.10 -0.04 7.15 7.07 2zi5A1 TYR 1210 HE2 0.01 0.01 -0.03 -0.04 6.85 6.80 2zi5A1 LYS 1211 H 0.17 0.32 -0.55 -0.55 8.42 7.81 2zi5A1 LYS 1211 HA 0.06 0.03 0.53 -0.75 4.32 4.18 2zi5A1 LYS 1211 HB2 -0.04 0.10 0.17 -0.04 1.87 2.06 2zi5A1 LYS 1211 HB3 -0.04 0.05 0.12 -0.04 1.79 1.87 2zi5A1 LYS 1211 HG2 0.12 -0.06 0.05 -0.04 1.46 1.53 2zi5A1 LYS 1211 HG3 0.11 0.20 0.09 -0.04 1.46 1.81 2zi5A1 LYS 1211 HD2 -0.04 -0.01 0.03 -0.04 1.69 1.64 2zi5A1 LYS 1211 HD3 -0.03 0.11 0.10 -0.04 1.68 1.82 2zi5A1 LYS 1211 HE2 0.03 0.01 -0.02 -0.04 2.99 2.97 2zi5A1 LYS 1211 HE3 -0.00 -0.14 -0.06 -0.04 2.99 2.74 2zi5A1 HIS 1212 H 0.10 0.77 0.13 -0.55 8.41 8.87 2zi5A1 HIS 1212 HA 0.01 0.01 0.47 -0.75 4.63 4.37 2zi5A1 HIS 1212 HB2 -0.06 0.22 0.33 -0.04 3.26 3.71 2zi5A1 HIS 1212 HB3 -0.37 -0.07 -0.01 -0.04 3.20 2.71 2zi5A1 HIS 1212 HD2 -0.05 -0.00 -0.05 -0.04 6.97 6.82 2zi5A1 HIS 1212 HE1 -0.02 -0.03 -0.18 -0.04 7.75 7.48 2zi5A1 GLU 1213 H -0.05 0.41 -0.03 -0.55 8.60 8.39 2zi5A1 GLU 1213 HA -0.10 0.00 0.36 -0.75 4.29 3.80 2zi5A1 GLU 1213 HB2 -0.01 0.08 0.04 -0.04 2.09 2.15 2zi5A1 GLU 1213 HB3 0.10 0.01 -0.02 -0.04 1.99 2.03 2zi5A1 GLU 1213 HG2 -0.36 0.02 -0.07 -0.04 2.34 1.88 2zi5A1 GLU 1213 HG3 -0.04 0.00 -0.06 -0.04 2.34 2.19 2zi5A1 SER 1214 H -0.08 0.59 -0.32 -0.55 8.46 8.11 2zi5A1 SER 1214 HA 0.10 -0.03 0.49 -0.75 4.49 4.29 2zi5A1 SER 1214 HB2 -0.29 -0.00 0.11 -0.04 3.95 3.72 2zi5A1 SER 1214 HB3 -0.09 0.17 0.19 -0.04 3.93 4.15 2zi5A1 TRP 1215 H 0.13 0.55 -0.08 -0.55 7.97 8.03 2zi5A1 TRP 1215 HA -0.11 0.01 0.48 -0.75 4.62 4.24 2zi5A1 TRP 1215 HB2 -0.10 0.00 0.09 -0.04 3.23 3.18 2zi5A1 TRP 1215 HB3 -0.16 0.03 0.18 -0.04 3.23 3.23 2zi5A1 TRP 1215 HD1 -0.15 0.10 -0.04 -0.04 7.22 7.09 2zi5A1 TRP 1215 HE1 -0.22 0.04 -0.16 -0.04 10.20 9.82 2zi5A1 TRP 1215 HE3 -0.14 0.03 -0.10 -0.04 7.59 7.33 2zi5A1 TRP 1215 HZ2 -0.15 0.02 -0.11 -0.04 7.44 7.16 2zi5A1 TRP 1215 HZ3 0.04 -0.11 -0.11 -0.04 7.13 6.91 2zi5A1 TRP 1215 HH2 0.14 -0.13 -0.11 -0.04 7.19 7.05 2zi5A1 LEU 1216 H -0.21 0.97 0.05 -0.55 8.37 8.64 2zi5A1 LEU 1216 HA -0.66 0.17 0.35 -0.75 4.35 3.46 2zi5A1 LEU 1216 HB2 -0.93 0.02 -0.13 -0.04 1.64 0.55 2zi5A1 LEU 1216 HB3 -0.82 -0.05 -0.12 -0.04 1.64 0.61 2zi5A1 LEU 1216 HG -0.49 0.01 -0.02 -0.04 1.64 1.10 2zi5A1 LEU 1216 HD13 -0.60 -0.05 -0.12 -0.04 0.93 0.12 2zi5A1 LEU 1216 HD23 -1.83 0.02 -0.23 -0.04 0.89 -1.19 2zi5A1 LEU 1217 H -0.21 0.33 -0.02 -0.55 8.37 7.93 2zi5A1 LEU 1217 HA -0.15 0.21 0.91 -0.75 4.35 4.56 2zi5A1 LEU 1217 HB2 -0.09 -0.07 -0.02 -0.04 1.64 1.42 2zi5A1 LEU 1217 HB3 -0.30 -0.03 0.23 -0.04 1.64 1.51 2zi5A1 LEU 1217 HG -0.84 0.08 -0.29 -0.04 1.64 0.54 2zi5A1 LEU 1217 HD13 -0.16 0.01 -0.05 -0.04 0.93 0.69 2zi5A1 LEU 1217 HD23 -0.34 -0.04 -0.04 -0.04 0.89 0.43 2zi5A1 HIS 1218 H -0.23 0.52 0.24 -0.55 8.41 8.39 2zi5A1 HIS 1218 HA -0.03 0.09 0.46 -0.75 4.63 4.39 2zi5A1 HIS 1218 HB2 -0.06 -0.08 0.14 -0.04 3.26 3.23 2zi5A1 HIS 1218 HB3 -0.04 0.01 0.07 -0.04 3.20 3.21 2zi5A1 HIS 1218 HD2 -0.12 -0.05 -0.58 -0.04 6.97 6.17 2zi5A1 HIS 1218 HE1 -0.00 -0.01 -0.04 -0.04 7.75 7.66 2zi5A1 ARG 1219 H 0.02 0.24 -0.18 -0.55 8.46 7.99 2zi5A1 ARG 1219 HA 0.01 0.20 0.27 -0.75 4.34 4.06 2zi5A1 ARG 1219 HB2 -0.02 0.21 -0.43 -0.04 1.90 1.62 2zi5A1 ARG 1219 HB3 -0.01 -0.04 0.18 -0.04 1.80 1.88 2zi5A1 ARG 1219 HG2 -0.10 0.12 -0.01 -0.04 1.67 1.64 2zi5A1 ARG 1219 HG3 -0.12 -0.03 -0.41 -0.04 1.67 1.08 2zi5A1 ARG 1219 HD2 -0.09 -0.02 -0.09 -0.04 3.22 2.97 2zi5A1 ARG 1219 HD3 -0.05 -0.03 -0.07 -0.04 3.22 3.03 2zi5A1 THR 1220 H 0.06 0.14 -0.04 -0.55 8.28 7.88 2zi5A1 THR 1220 HA 0.02 0.11 0.37 -0.75 4.39 4.14 2zi5A1 THR 1220 HB -0.00 -0.03 -0.03 -0.04 4.32 4.21 2zi5A1 THR 1220 HG23 -0.01 -0.01 -0.04 -0.04 1.22 1.12 2zi5A1 LEU 1221 H 0.07 0.14 -0.25 -0.55 8.37 7.77 2zi5A1 LEU 1221 HA 0.02 -0.02 0.37 -0.75 4.35 3.97 2zi5A1 LEU 1221 HB2 0.10 -0.05 -0.13 -0.04 1.64 1.53 2zi5A1 LEU 1221 HB3 -0.02 0.01 -0.15 -0.04 1.64 1.44 2zi5A1 LEU 1221 HG 0.03 -0.01 0.00 -0.04 1.64 1.62 2zi5A1 LEU 1221 HD13 0.05 -0.02 0.00 -0.04 0.93 0.93 2zi5A1 LEU 1221 HD23 -0.11 0.03 -0.04 -0.04 0.89 0.73 2zi5A1 LYS 1222 H -0.01 0.10 0.19 -0.55 8.42 8.15 2zi5A1 LYS 1222 HA -0.04 0.19 0.76 -0.75 4.32 4.46 2zi5A1 THR 1223 H -0.07 0.13 0.04 -0.55 8.28 7.83 2zi5A1 THR 1223 HA -0.12 0.33 1.04 -0.75 4.39 4.88 2zi5A1 THR 1223 HB -0.06 -0.07 0.11 -0.04 4.32 4.27 2zi5A1 THR 1223 HG23 -0.55 0.07 -0.33 -0.04 1.22 0.37 2zi5A1 ASN 1224 H 0.02 0.12 0.08 -0.55 8.53 8.21 2zi5A1 ASN 1224 HA -0.12 0.15 0.50 -0.75 4.76 4.55 2zi5A1 ASN 1224 HB2 -0.07 -0.00 -0.12 -0.04 2.88 2.65 2zi5A1 ASN 1224 HB3 -0.40 0.04 0.14 -0.04 2.79 2.52 2zi5A1 ASN 1224 HD21 -0.09 0.01 0.04 -0.04 7.03 6.95 2zi5A1 ASN 1224 HD22 -0.14 -0.00 0.04 -0.04 7.74 7.60 2zi5A1 PHE 1225 H 0.01 0.08 -0.02 -0.55 8.34 7.85 2zi5A1 PHE 1225 HA 0.10 0.26 0.69 -0.75 4.62 4.91 2zi5A1 PHE 1225 HB2 -0.18 -0.03 0.12 -0.04 3.15 3.02 2zi5A1 PHE 1225 HB3 0.01 0.04 0.20 -0.04 3.06 3.27 2zi5A1 PHE 1225 HD2 0.26 -0.04 -0.00 -0.04 7.28 7.45 2zi5A1 PHE 1225 HE2 0.18 0.10 -0.06 -0.04 7.38 7.56 2zi5A1 PHE 1225 HZ -0.51 0.02 -0.18 -0.04 7.32 6.61 2zi5A1 ASP 1226 H 0.01 0.22 -0.17 -0.55 8.40 7.91 2zi5A1 ASP 1226 HA -0.01 0.05 0.29 -0.75 4.63 4.21 2zi5A1 ASP 1226 HB2 0.05 0.04 -0.02 -0.04 2.71 2.75 2zi5A1 ASP 1226 HB3 0.01 0.10 0.00 -0.04 2.70 2.77 2zi5A1 TYR 1227 H 0.26 0.07 -0.29 -0.55 8.29 7.78 2zi5A1 TYR 1227 HA 0.01 0.09 0.38 -0.75 4.56 4.28 2zi5A1 TYR 1227 HB2 0.02 0.08 0.08 -0.04 3.06 3.19 2zi5A1 TYR 1227 HB3 0.04 -0.04 0.08 -0.04 2.98 3.02 2zi5A1 TYR 1227 HD2 0.08 -0.02 -0.08 -0.04 7.15 7.09 2zi5A1 TYR 1227 HE2 0.16 0.14 0.05 -0.04 6.85 7.16 2zi5A1 LEU 1228 H -0.66 0.59 -0.05 -0.55 8.37 7.70 2zi5A1 LEU 1228 HA -0.59 0.02 0.34 -0.75 4.35 3.36 2zi5A1 LEU 1228 HB2 -0.44 0.46 0.16 -0.04 1.64 1.78 2zi5A1 LEU 1228 HB3 -0.22 0.01 -0.15 -0.04 1.64 1.23 2zi5A1 LEU 1228 HG -1.20 -0.02 0.07 -0.04 1.64 0.46 2zi5A1 LEU 1228 HD13 -1.07 -0.05 -0.04 -0.04 0.93 -0.27 2zi5A1 LEU 1228 HD23 -0.19 0.00 -0.01 -0.04 0.89 0.65 2zi5A1 GLN 1229 H -0.10 0.35 -0.34 -0.55 8.47 7.83 2zi5A1 GLN 1229 HA -0.02 0.13 0.39 -0.75 4.36 4.11 2zi5A1 GLN 1229 HB2 -0.03 0.08 0.11 -0.04 2.15 2.27 2zi5A1 GLN 1229 HB3 -0.01 0.04 0.22 -0.04 2.02 2.23 2zi5A1 GLN 1229 HG2 -0.01 0.05 0.06 -0.04 2.40 2.45 2zi5A1 GLN 1229 HG3 -0.00 0.12 -0.00 -0.04 2.39 2.47 2zi5A1 GLN 1229 HE21 -0.04 -0.22 -0.07 -0.04 6.97 6.60 2zi5A1 GLN 1229 HE22 -0.02 0.14 0.03 -0.04 7.69 7.79 2zi5A1 GLU 1230 H -0.06 0.07 -0.84 -0.55 8.60 7.23 2zi5A1 GLU 1230 HA -0.01 0.09 0.74 -0.75 4.29 4.35 2zi5A1 VAL 1231 H -0.01 0.12 0.11 -0.55 8.24 7.90 2zi5A1 VAL 1231 HA 0.03 0.07 0.30 -0.75 4.13 3.77 2zi5A1 VAL 1231 HB -0.03 -0.05 0.02 -0.04 2.12 2.02 2zi5A1 VAL 1231 HG13 0.07 0.06 -0.34 -0.04 0.97 0.72 2zi5A1 VAL 1231 HG23 0.19 0.04 -0.05 -0.04 0.95 1.10 2zi5A1 PRO 1232 HA 0.04 0.08 0.58 -0.51 4.44 4.63 2zi5A1 PRO 1232 HB2 0.04 -0.08 0.08 -0.04 2.28 2.28 2zi5A1 PRO 1232 HB3 0.06 0.03 0.10 -0.04 2.02 2.17 2zi5A1 PRO 1232 HG2 -0.11 0.07 0.13 -0.04 2.03 2.08 2zi5A1 PRO 1232 HG3 -0.03 0.05 0.12 -0.04 2.03 2.14 2zi5A1 PRO 1232 HD2 -0.00 0.31 0.32 -0.04 3.68 4.26 2zi5A1 PRO 1232 HD3 0.00 0.06 0.22 -0.04 3.65 3.89 2zi5A1 ILE 1233 H 0.03 0.23 0.28 -0.55 8.25 8.25 2zi5A1 ILE 1233 HA -0.04 0.12 0.97 -0.75 4.18 4.47 2zi5A1 ILE 1233 HB -0.11 0.03 0.12 -0.04 1.89 1.89 2zi5A1 ILE 1233 HG12 -0.21 -0.07 -0.17 -0.04 1.49 1.00 2zi5A1 ILE 1233 HG13 -0.12 0.20 -0.02 -0.04 1.21 1.23 2zi5A1 ILE 1233 HG23 -0.21 -0.02 -0.13 -0.04 0.93 0.54 2zi5A1 ILE 1233 HD13 -0.36 -0.01 -0.02 -0.04 0.88 0.44 2zi5A1 LEU 1234 H -0.26 0.75 0.42 -0.55 8.37 8.73 2zi5A1 LEU 1234 HA -0.21 0.15 0.87 -0.75 4.35 4.41 2zi5A1 LEU 1234 HB2 -1.57 0.08 -0.02 -0.04 1.64 0.08 2zi5A1 LEU 1234 HB3 -0.69 -0.10 0.19 -0.04 1.64 1.00 2zi5A1 LEU 1234 HG -0.29 -0.04 -0.30 -0.04 1.64 0.97 2zi5A1 LEU 1234 HD13 -0.15 0.01 -0.04 -0.04 0.93 0.72 2zi5A1 LEU 1234 HD23 -0.40 -0.02 -0.19 -0.04 0.89 0.24 2zi5A1 THR 1235 H -0.13 0.25 0.11 -0.55 8.28 7.96 2zi5A1 THR 1235 HA -0.13 0.21 1.06 -0.75 4.39 4.77 2zi5A1 THR 1235 HB -0.09 0.00 0.13 -0.04 4.32 4.32 2zi5A1 THR 1235 HG23 -0.15 -0.02 -0.14 -0.04 1.22 0.86 2zi5A1 LEU 1236 H -0.28 0.74 0.31 -0.55 8.37 8.59 2zi5A1 LEU 1236 HA -0.21 0.14 0.78 -0.75 4.35 4.31 2zi5A1 LEU 1236 HB2 -0.34 0.03 -0.01 -0.04 1.64 1.28 2zi5A1 LEU 1236 HB3 -0.39 -0.01 -0.18 -0.04 1.64 1.02 2zi5A1 LEU 1236 HG -0.27 0.01 -0.26 -0.04 1.64 1.08 2zi5A1 LEU 1236 HD13 -0.54 -0.00 -0.13 -0.04 0.93 0.21 2zi5A1 LEU 1236 HD23 -0.18 0.03 -0.10 -0.04 0.89 0.60 2zi5A1 ASP 1237 H -0.17 0.21 0.16 -0.55 8.40 8.06 2zi5A1 ASP 1237 HA -0.17 0.23 0.98 -0.75 4.63 4.91 2zi5A1 ASP 1237 HB2 -0.11 0.06 0.08 -0.04 2.71 2.70 2zi5A1 ASP 1237 HB3 -0.09 0.02 0.22 -0.04 2.70 2.81 2zi5A1 VAL 1238 H -0.13 0.56 0.18 -0.55 8.24 8.30 2zi5A1 VAL 1238 HA -0.03 0.24 0.79 -0.75 4.13 4.38 2zi5A1 VAL 1238 HB 0.33 0.04 0.11 -0.04 2.12 2.56 2zi5A1 VAL 1238 HG13 -0.51 -0.02 -0.24 -0.04 0.97 0.16 2zi5A1 VAL 1238 HG23 -0.04 0.01 -0.22 -0.04 0.95 0.65 2zi5A1 ASN 1239 H -0.03 0.05 -0.11 -0.55 8.53 7.89 2zi5A1 ASN 1239 HA 0.02 0.04 0.59 -0.75 4.76 4.65 2zi5A1 ASN 1239 HB2 -0.01 0.00 0.12 -0.04 2.88 2.95 2zi5A1 ASN 1239 HB3 0.00 0.04 -0.03 -0.04 2.79 2.77 2zi5A1 ASN 1239 HD21 -0.02 -0.11 0.05 -0.04 7.03 6.91 2zi5A1 ASN 1239 HD22 -0.02 0.10 0.03 -0.04 7.74 7.81 2zi5A1 GLU 1240 H 0.02 0.04 -0.10 -0.55 8.60 8.01 2zi5A1 GLU 1240 HA 0.03 0.01 0.54 -0.75 4.29 4.12 2zi5A1 GLU 1240 HB2 0.02 -0.07 0.10 -0.04 2.09 2.10 2zi5A1 GLU 1240 HB3 0.06 0.12 -0.03 -0.04 1.99 2.10 2zi5A1 GLU 1240 HG2 0.02 -0.00 0.07 -0.04 2.34 2.40 2zi5A1 GLU 1240 HG3 0.01 -0.04 0.04 -0.04 2.34 2.30 2zi5A1 ASP 1241 H 0.01 0.07 0.15 -0.55 8.40 8.09 2zi5A1 ASP 1241 HA -0.08 0.09 0.45 -0.75 4.63 4.34 2zi5A1 ASP 1241 HB2 -0.05 0.07 0.15 -0.04 2.71 2.84 2zi5A1 ASP 1241 HB3 -0.03 -0.00 0.04 -0.04 2.70 2.67 2zi5A1 PHE 1242 H -0.47 0.02 0.17 -0.55 8.34 7.51 2zi5A1 PHE 1242 HA 0.05 0.27 0.86 -0.75 4.62 5.04 2zi5A1 PHE 1242 HB2 0.13 -0.07 -0.04 -0.04 3.15 3.12 2zi5A1 PHE 1242 HB3 0.02 0.18 -0.22 -0.04 3.06 3.00 2zi5A1 PHE 1242 HD2 0.09 0.13 -0.18 -0.04 7.28 7.27 2zi5A1 PHE 1242 HE2 0.07 0.06 -0.10 -0.04 7.38 7.37 2zi5A1 PHE 1242 HZ -0.01 0.04 -0.02 -0.04 7.32 7.29 2zi5A1 LYS 1243 H -0.24 0.00 0.09 -0.55 8.42 7.71 2zi5A1 LYS 1243 HA -0.05 0.10 0.33 -0.75 4.32 3.95 2zi5A1 LYS 1243 HB2 -0.13 -0.06 0.10 -0.04 1.87 1.74 2zi5A1 LYS 1243 HB3 -0.04 0.09 -0.09 -0.04 1.79 1.71 2zi5A1 LYS 1243 HG2 -0.12 0.02 0.06 -0.04 1.46 1.38 2zi5A1 LYS 1243 HG3 -0.19 -0.01 0.04 -0.04 1.46 1.26 2zi5A1 LYS 1243 HD2 -0.06 0.03 -0.01 -0.04 1.69 1.61 2zi5A1 LYS 1243 HD3 -0.07 0.01 -0.02 -0.04 1.68 1.56 2zi5A1 LYS 1243 HE2 -0.02 0.04 -0.04 -0.04 2.99 2.93 2zi5A1 LYS 1243 HE3 -0.02 -0.01 -0.11 -0.04 2.99 2.81 2zi5A1 ASP 1244 H 0.05 0.04 -0.50 -0.55 8.40 7.44 2zi5A1 ASP 1244 HA 0.09 0.24 0.80 -0.75 4.63 5.00 2zi5A1 ASP 1244 HB2 0.01 -0.02 0.02 -0.04 2.71 2.68 2zi5A1 ASP 1244 HB3 0.01 0.03 0.16 -0.04 2.70 2.85 2zi5A1 LYS 1245 H 0.18 0.65 -0.32 -0.55 8.42 8.37 2zi5A1 LYS 1245 HA -0.08 0.05 0.39 -0.75 4.32 3.93 2zi5A1 LYS 1245 HB2 0.03 -0.01 -0.34 -0.04 1.87 1.51 2zi5A1 LYS 1245 HB3 0.06 0.03 0.22 -0.04 1.79 2.06 2zi5A1 LYS 1245 HG2 -0.01 -0.11 0.08 -0.04 1.46 1.38 2zi5A1 LYS 1245 HG3 -0.02 0.13 0.17 -0.04 1.46 1.70 2zi5A1 LYS 1245 HD2 -0.00 0.03 0.02 -0.04 1.69 1.70 2zi5A1 LYS 1245 HD3 0.02 0.01 0.01 -0.04 1.68 1.68 2zi5A1 LYS 1245 HE2 0.01 -0.08 0.04 -0.04 2.99 2.91 2zi5A1 LYS 1245 HE3 -0.00 0.01 0.02 -0.04 2.99 2.98 2zi5A1 TYR 1246 H -0.43 0.22 0.04 -0.55 8.29 7.57 2zi5A1 TYR 1246 HA 0.13 0.22 0.85 -0.75 4.56 5.01 2zi5A1 TYR 1246 HB2 0.23 -0.06 0.15 -0.04 3.06 3.33 2zi5A1 TYR 1246 HB3 0.32 0.16 -0.01 -0.04 2.98 3.41 2zi5A1 TYR 1246 HD2 0.12 0.02 -0.16 -0.04 7.15 7.09 2zi5A1 TYR 1246 HE2 0.04 0.07 -0.04 -0.04 6.85 6.88 2zi5A1 GLU 1247 H -0.07 0.15 -0.17 -0.55 8.60 7.97 2zi5A1 GLU 1247 HA 0.09 0.14 0.28 -0.75 4.29 4.05 2zi5A1 GLU 1247 HB2 -0.10 0.00 0.07 -0.04 2.09 2.03 2zi5A1 GLU 1247 HB3 -0.01 0.03 -0.01 -0.04 1.99 1.96 2zi5A1 GLU 1247 HG2 -0.02 0.04 -0.02 -0.04 2.34 2.30 2zi5A1 GLU 1247 HG3 0.02 0.01 -0.02 -0.04 2.34 2.30 2zi5A1 SER 1248 H 0.03 0.13 -0.13 -0.55 8.46 7.95 2zi5A1 SER 1248 HA 0.03 0.12 0.41 -0.75 4.49 4.29 2zi5A1 SER 1248 HB2 0.01 0.01 0.08 -0.04 3.95 4.00 2zi5A1 SER 1248 HB3 0.01 0.03 -0.00 -0.04 3.93 3.92 2zi5A1 LEU 1249 H 0.07 0.05 -0.32 -0.55 8.37 7.62 2zi5A1 LEU 1249 HA -0.04 0.05 0.43 -0.75 4.35 4.03 2zi5A1 LEU 1249 HB2 0.22 0.12 0.14 -0.04 1.64 2.08 2zi5A1 LEU 1249 HB3 -0.02 0.00 -0.03 -0.04 1.64 1.55 2zi5A1 LEU 1249 HG -0.09 -0.02 0.05 -0.04 1.64 1.54 2zi5A1 LEU 1249 HD13 -0.81 0.01 -0.04 -0.04 0.93 0.05 2zi5A1 LEU 1249 HD23 -0.34 0.02 -0.05 -0.04 0.89 0.48 2zi5A1 VAL 1250 H 0.24 0.67 -0.07 -0.55 8.24 8.53 2zi5A1 VAL 1250 HA 0.20 -0.01 0.22 -0.75 4.13 3.79 2zi5A1 VAL 1250 HB 0.25 0.03 0.06 -0.04 2.12 2.42 2zi5A1 VAL 1250 HG13 0.25 0.01 -0.10 -0.04 0.97 1.09 2zi5A1 VAL 1250 HG23 0.12 0.02 -0.02 -0.04 0.95 1.03 2zi5A1 GLU 1251 H 0.11 0.53 -0.26 -0.55 8.60 8.44 2zi5A1 GLU 1251 HA 0.10 0.04 0.54 -0.75 4.29 4.21 2zi5A1 GLU 1251 HB2 0.06 0.11 0.21 -0.04 2.09 2.43 2zi5A1 GLU 1251 HB3 0.05 -0.02 -0.04 -0.04 1.99 1.94 2zi5A1 GLU 1251 HG2 0.05 -0.00 -0.01 -0.04 2.34 2.34 2zi5A1 GLU 1251 HG3 0.04 -0.03 0.00 -0.04 2.34 2.31 2zi5A1 LYS 1252 H 0.07 0.52 -0.11 -0.55 8.42 8.34 2zi5A1 LYS 1252 HA 0.07 0.03 0.39 -0.75 4.32 4.05 2zi5A1 LYS 1252 HB2 0.00 0.18 0.21 -0.04 1.87 2.22 2zi5A1 LYS 1252 HB3 -0.01 -0.04 -0.06 -0.04 1.79 1.64 2zi5A1 LYS 1252 HG2 -0.00 -0.00 0.02 -0.04 1.46 1.43 2zi5A1 LYS 1252 HG3 0.02 -0.03 0.01 -0.04 1.46 1.43 2zi5A1 LYS 1252 HD2 -0.01 0.11 0.04 -0.04 1.69 1.79 2zi5A1 LYS 1252 HD3 -0.04 -0.03 0.02 -0.04 1.68 1.58 2zi5A1 LYS 1252 HE2 -0.01 0.02 0.01 -0.04 2.99 2.96 2zi5A1 LYS 1252 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.93 2zi5A1 VAL 1253 H 0.11 0.39 -0.12 -0.55 8.24 8.07 2zi5A1 VAL 1253 HA 0.13 0.00 0.32 -0.75 4.13 3.82 2zi5A1 VAL 1253 HB 0.16 0.15 0.00 -0.04 2.12 2.39 2zi5A1 VAL 1253 HG13 0.02 -0.01 -0.10 -0.04 0.97 0.84 2zi5A1 VAL 1253 HG23 0.15 0.06 -0.07 -0.04 0.95 1.05 2zi5A1 LYS 1254 H 0.19 0.34 -0.55 -0.55 8.42 7.84 2zi5A1 LYS 1254 HA 0.26 0.05 0.50 -0.75 4.32 4.38 2zi5A1 LYS 1254 HB2 0.15 0.10 0.14 -0.04 1.87 2.21 2zi5A1 LYS 1254 HB3 0.16 -0.03 0.02 -0.04 1.79 1.89 2zi5A1 LYS 1254 HG2 0.33 -0.03 -0.02 -0.04 1.46 1.70 2zi5A1 LYS 1254 HG3 0.36 -0.02 0.00 -0.04 1.46 1.77 2zi5A1 LYS 1254 HD2 0.20 0.12 -0.11 -0.04 1.69 1.85 2zi5A1 LYS 1254 HD3 0.12 -0.06 0.04 -0.04 1.68 1.75 2zi5A1 LYS 1254 HE2 0.05 -0.01 -0.02 -0.04 2.99 2.96 2zi5A1 LYS 1254 HE3 0.04 0.00 -0.04 -0.04 2.99 2.95 2zi5A1 GLU 1255 H 0.12 0.56 0.07 -0.55 8.60 8.81 2zi5A1 GLU 1255 HA 0.08 0.02 0.47 -0.75 4.29 4.09 2zi5A1 GLU 1255 HB2 0.07 -0.01 0.13 -0.04 2.09 2.23 2zi5A1 GLU 1255 HB3 0.10 0.07 0.14 -0.04 1.99 2.25 2zi5A1 GLU 1255 HG2 0.06 -0.03 -0.05 -0.04 2.34 2.28 2zi5A1 GLU 1255 HG3 0.06 0.03 0.01 -0.04 2.34 2.40 2zi5A1 PHE 1256 H 0.25 0.47 -0.51 -0.55 8.34 8.00 2zi5A1 PHE 1256 HA 0.01 0.05 0.38 -0.75 4.62 4.30 2zi5A1 PHE 1256 HB2 0.01 -0.04 -0.02 -0.04 3.15 3.06 2zi5A1 PHE 1256 HB3 0.04 0.09 0.12 -0.04 3.06 3.26 2zi5A1 PHE 1256 HD2 0.00 0.04 -0.10 -0.04 7.28 7.18 2zi5A1 PHE 1256 HE2 -0.03 -0.04 -0.30 -0.04 7.38 6.97 2zi5A1 PHE 1256 HZ -0.04 -0.04 -0.11 -0.04 7.32 7.09 2zi5A1 LEU 1257 H 0.23 0.72 0.09 -0.55 8.37 8.86 2zi5A1 LEU 1257 HA -0.20 -0.01 0.32 -0.75 4.35 3.71 2zi5A1 LEU 1257 HB2 0.17 0.04 0.11 -0.04 1.64 1.91 2zi5A1 LEU 1257 HB3 0.07 -0.01 0.02 -0.04 1.64 1.68 2zi5A1 LEU 1257 HG 0.25 0.07 0.07 -0.04 1.64 1.99 2zi5A1 LEU 1257 HD13 0.25 -0.02 -0.12 -0.04 0.93 1.00 2zi5A1 LEU 1257 HD23 -0.09 -0.01 -0.07 -0.04 0.89 0.67 2zi5A1 SER 1258 H 0.04 0.36 -0.71 -0.55 8.46 7.60 2zi5A1 SER 1258 HA 0.01 0.00 0.35 -0.75 4.49 4.10 2zi5A1 SER 1258 HB2 0.03 -0.12 0.09 -0.04 3.95 3.91 2zi5A1 SER 1258 HB3 0.05 0.25 0.10 -0.04 3.93 4.29 2zi5A1 THR 1259 H -0.12 0.58 -0.51 -0.55 8.28 7.68 2zi5A1 THR 1259 HA -0.05 0.19 0.96 -0.75 4.39 4.74 2zi5A1 THR 1259 HB -0.04 -0.08 0.13 -0.04 4.32 4.29 2zi5A1 THR 1259 HG23 -0.02 0.00 0.02 -0.04 1.22 1.18 2zi5A1 LEU 1260 H -0.12 0.32 -0.30 -0.55 8.37 7.73 2zi5A1 LEU 1260 HA -0.12 0.26 0.90 -0.75 4.35 4.63 2zi5A1 LEU 1260 HB2 -0.15 0.04 0.07 -0.04 1.64 1.57 2zi5A1 LEU 1260 HB3 -0.15 0.00 0.06 -0.04 1.64 1.51 2zi5A1 LEU 1260 HG -0.42 0.07 -0.22 -0.04 1.64 1.03 2zi5A1 LEU 1260 HD13 -0.34 -0.03 -0.12 -0.04 0.93 0.40 2zi5A1 LEU 1260 HD23 -0.45 0.04 -0.08 -0.04 0.89 0.36