============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 3 0.900 -5.686 12.982 -11.416 -99.200 -91.000 PHE 14 1.000 -6.963 8.369 9.542 -99.200 -91.000 HIS 21 0.900 -10.246 2.733 2.622 -99.200 -91.000 PHE 40 1.000 -10.831 2.862 -8.792 -99.200 -91.000 TYR 47 0.840 -1.446 -8.603 -10.840 -99.200 -91.000 HIS 48 0.900 -10.318 -12.741 -13.376 -99.200 -91.000 HIS 54 0.900 -14.132 -6.354 -2.591 -99.200 -91.000 PHE 57 1.000 -10.460 -4.753 6.350 -99.200 -91.000 HIS 58 0.900 -17.454 -5.553 6.399 -99.200 -91.000 TRP 70 1.040 -4.537 4.048 12.128 -99.200 -91.000 TRP6 70 1.020 -5.733 5.565 13.471 -99.200 -91.000 TRP 73 1.040 -0.042 -0.741 8.960 -99.200 -91.000 TRP6 73 1.020 -0.080 1.353 10.053 -99.200 -91.000 TYR 79 0.840 2.922 -0.039 13.360 -99.200 -91.000 TRP 81 1.040 6.653 -8.753 8.680 -99.200 -91.000 TRP6 81 1.020 5.108 -9.074 6.935 -99.200 -91.000 TRP 89 1.040 6.568 -9.693 2.749 -99.200 -91.000 TRP6 89 1.020 6.874 -11.881 3.544 -99.200 -91.000 TYR 93 0.840 5.673 -12.336 -1.372 -99.200 -91.000 TYR 99 0.840 18.844 -5.614 -0.727 -99.200 -91.000 PHE 103 1.000 19.041 -1.454 4.587 -99.200 -91.000 HIS 111 0.900 4.775 5.129 9.043 -99.200 -91.000 HIS 135 0.900 9.888 2.689 -6.943 -99.200 -91.000 PHE 149 1.000 -4.936 -12.181 2.011 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k60A10 GLY -5 HA2 -0.08 -0.01 0.10 -0.51 4.01 3.51 2k60A10 GLY -5 HA3 -0.07 -0.06 0.08 -0.51 4.01 3.45 2k60A10 SER -4 H -0.08 0.16 -0.01 -0.55 8.46 7.98 2k60A10 SER -4 HA -0.20 0.14 0.58 -0.75 4.49 4.26 2k60A10 SER -4 HB2 -0.07 0.10 -0.15 -0.04 3.95 3.78 2k60A10 SER -4 HB3 -0.09 -0.18 0.15 -0.04 3.93 3.77 2k60A10 HIS -3 H -0.15 0.16 0.14 -0.55 8.41 8.02 2k60A10 HIS -3 HA -0.01 0.18 0.78 -0.75 4.63 4.82 2k60A10 HIS -3 HB2 -0.00 -0.01 0.11 -0.04 3.26 3.32 2k60A10 HIS -3 HB3 -0.00 0.01 0.05 -0.04 3.20 3.22 2k60A10 HIS -3 HD2 -0.00 0.03 -0.02 -0.04 6.97 6.94 2k60A10 HIS -3 HE1 0.01 0.01 -0.00 -0.04 7.75 7.72 2k60A10 MET -2 H 0.04 0.19 0.07 -0.55 8.47 8.22 2k60A10 MET -2 HA 0.02 0.15 0.75 -0.75 4.52 4.69 2k60A10 MET -2 HB2 0.01 -0.02 0.08 -0.04 2.15 2.18 2k60A10 MET -2 HB3 0.04 0.04 -0.19 -0.04 2.03 1.88 2k60A10 MET -2 HG2 0.00 0.13 -0.31 -0.04 2.63 2.41 2k60A10 MET -2 HG3 0.02 0.01 -0.07 -0.04 2.56 2.48 2k60A10 MET -2 HE3 0.03 0.04 -0.02 -0.04 2.10 2.11 2k60A10 ALA -1 H -0.01 0.15 0.12 -0.55 8.40 8.12 2k60A10 ALA -1 HA -0.02 0.04 0.27 -0.75 4.34 3.88 2k60A10 ALA -1 HB3 -0.04 0.08 -0.04 -0.04 1.41 1.38 2k60A10 SER 0 H -0.03 -0.15 -0.30 -0.55 8.46 7.44 2k60A10 SER 0 HA -0.06 0.28 0.84 -0.75 4.49 4.80 2k60A10 SER 0 HB2 -0.06 -0.02 -0.06 -0.04 3.95 3.77 2k60A10 SER 0 HB3 -0.07 0.19 -0.36 -0.04 3.93 3.65 2k60A10 SER 58 H -0.02 -0.14 -0.03 -0.55 8.46 7.73 2k60A10 SER 58 HA -0.01 -0.01 0.34 -0.75 4.49 4.05 2k60A10 SER 58 HB2 -0.02 0.22 0.14 -0.04 3.95 4.25 2k60A10 SER 58 HB3 -0.01 0.03 0.04 -0.04 3.93 3.95 2k60A10 GLU 59 H -0.03 0.45 -0.78 -0.55 8.60 7.69 2k60A10 GLU 59 HA -0.03 0.05 0.18 -0.75 4.29 3.73 2k60A10 GLU 59 HB2 -0.01 0.22 0.13 -0.04 2.09 2.39 2k60A10 GLU 59 HB3 -0.01 -0.10 0.07 -0.04 1.99 1.91 2k60A10 GLU 59 HG2 -0.01 -0.12 -0.43 -0.04 2.34 1.74 2k60A10 GLU 59 HG3 -0.00 0.02 -0.07 -0.04 2.34 2.24 2k60A10 ASP 60 H -0.02 0.11 0.04 -0.55 8.40 7.98 2k60A10 ASP 60 HA -0.01 -0.02 0.35 -0.75 4.63 4.20 2k60A10 ASP 60 HB2 -0.00 -0.02 -0.00 -0.04 2.71 2.65 2k60A10 ASP 60 HB3 -0.00 0.16 0.20 -0.04 2.70 3.01 2k60A10 GLU 61 H -0.02 0.14 -0.00 -0.55 8.60 8.18 2k60A10 GLU 61 HA -0.02 0.06 0.51 -0.75 4.29 4.07 2k60A10 GLU 61 HB2 -0.04 0.07 0.13 -0.04 2.09 2.20 2k60A10 GLU 61 HB3 -0.06 -0.00 -0.07 -0.04 1.99 1.82 2k60A10 GLU 61 HG2 -0.06 0.06 -0.20 -0.04 2.34 2.10 2k60A10 GLU 61 HG3 -0.04 -0.20 -0.30 -0.04 2.34 1.76 2k60A10 LYS 62 H 0.00 0.06 0.18 -0.55 8.42 8.10 2k60A10 LYS 62 HA 0.03 0.24 0.78 -0.75 4.32 4.63 2k60A10 LYS 62 HB2 0.02 -0.08 0.14 -0.04 1.87 1.91 2k60A10 LYS 62 HB3 0.04 0.00 -0.01 -0.04 1.79 1.78 2k60A10 LYS 62 HG2 0.01 -0.00 -0.44 -0.04 1.46 0.99 2k60A10 LYS 62 HG3 0.02 0.00 -0.07 -0.04 1.46 1.37 2k60A10 LYS 62 HD2 0.03 -0.02 -0.04 -0.04 1.69 1.61 2k60A10 LYS 62 HD3 0.03 0.10 -0.08 -0.04 1.68 1.68 2k60A10 LYS 62 HE2 0.02 0.01 -0.06 -0.04 2.99 2.93 2k60A10 LYS 62 HE3 0.01 -0.02 -0.15 -0.04 2.99 2.80 2k60A10 LEU 63 H 0.03 -0.00 0.16 -0.55 8.37 8.00 2k60A10 LEU 63 HA 0.10 0.18 0.38 -0.75 4.35 4.26 2k60A10 LEU 63 HB2 0.04 0.11 0.12 -0.04 1.64 1.87 2k60A10 LEU 63 HB3 0.03 -0.07 0.09 -0.04 1.64 1.65 2k60A10 LEU 63 HG 0.08 -0.32 0.07 -0.04 1.64 1.42 2k60A10 LEU 63 HD13 0.08 0.04 0.09 -0.04 0.93 1.10 2k60A10 LEU 63 HD23 0.01 0.03 0.03 -0.04 0.89 0.92 2k60A10 SER 64 H 0.18 0.17 0.17 -0.55 8.46 8.43 2k60A10 SER 64 HA 0.18 0.21 0.36 -0.75 4.49 4.48 2k60A10 SER 64 HB2 0.31 -0.06 0.15 -0.04 3.95 4.31 2k60A10 SER 64 HB3 0.50 0.09 0.08 -0.04 3.93 4.55 2k60A10 PHE 65 H 0.08 0.09 -0.03 -0.55 8.34 7.93 2k60A10 PHE 65 HA -0.58 0.11 0.22 -0.75 4.62 3.62 2k60A10 PHE 65 HB2 -0.54 0.04 0.09 -0.04 3.15 2.70 2k60A10 PHE 65 HB3 -0.29 -0.01 0.04 -0.04 3.06 2.75 2k60A10 PHE 65 HD2 -1.33 0.02 -0.13 -0.04 7.28 5.80 2k60A10 PHE 65 HE2 -0.39 0.02 -0.08 -0.04 7.38 6.89 2k60A10 PHE 65 HZ -0.21 -0.02 -0.05 -0.04 7.32 7.00 2k60A10 GLU 66 H 0.00 0.03 -0.33 -0.55 8.60 7.76 2k60A10 GLU 66 HA -0.14 0.08 0.31 -0.75 4.29 3.79 2k60A10 GLU 66 HB2 -0.05 0.13 -0.02 -0.04 2.09 2.12 2k60A10 GLU 66 HB3 0.01 -0.01 0.03 -0.04 1.99 1.97 2k60A10 GLU 66 HG2 -0.00 -0.15 -0.02 -0.04 2.34 2.13 2k60A10 GLU 66 HG3 -0.04 0.14 -0.08 -0.04 2.34 2.32 2k60A10 ALA 67 H -0.13 0.34 -0.38 -0.55 8.40 7.69 2k60A10 ALA 67 HA -0.14 0.05 0.29 -0.75 4.34 3.79 2k60A10 ALA 67 HB3 -0.16 0.06 -0.04 -0.04 1.41 1.22 2k60A10 VAL 68 H -0.34 0.63 -0.10 -0.55 8.24 7.88 2k60A10 VAL 68 HA -0.39 0.03 0.25 -0.75 4.13 3.27 2k60A10 VAL 68 HB -0.59 0.04 0.13 -0.04 2.12 1.66 2k60A10 VAL 68 HG13 -0.36 -0.02 -0.13 -0.04 0.97 0.41 2k60A10 VAL 68 HG23 -0.80 0.03 0.01 -0.04 0.95 0.15 2k60A10 ARG 69 H -0.56 0.72 -0.11 -0.55 8.46 7.96 2k60A10 ARG 69 HA -0.44 -0.09 0.33 -0.75 4.34 3.39 2k60A10 ARG 69 HB2 -0.39 -0.11 0.04 -0.04 1.90 1.40 2k60A10 ARG 69 HB3 -0.89 0.03 0.07 -0.04 1.80 0.96 2k60A10 ARG 69 HG2 -0.31 0.21 0.16 -0.04 1.67 1.69 2k60A10 ARG 69 HG3 -0.20 0.06 -0.30 -0.04 1.67 1.18 2k60A10 ARG 69 HD2 -0.11 -0.04 -0.09 -0.04 3.22 2.94 2k60A10 ARG 69 HD3 -0.12 -0.09 -0.14 -0.04 3.22 2.82 2k60A10 ASN 70 H -0.23 0.48 -0.42 -0.55 8.53 7.81 2k60A10 ASN 70 HA -0.12 0.03 0.44 -0.75 4.76 4.36 2k60A10 ASN 70 HB2 -0.15 0.24 0.27 -0.04 2.88 3.20 2k60A10 ASN 70 HB3 -0.11 -0.06 -0.01 -0.04 2.79 2.56 2k60A10 ASN 70 HD21 -0.08 -0.03 -0.04 -0.04 7.03 6.84 2k60A10 ASN 70 HD22 -0.07 0.30 0.08 -0.04 7.74 8.01 2k60A10 ILE 71 H -0.17 0.63 0.01 -0.55 8.25 8.18 2k60A10 ILE 71 HA -0.12 0.09 0.45 -0.75 4.18 3.85 2k60A10 ILE 71 HB -0.14 0.00 -0.08 -0.04 1.89 1.63 2k60A10 ILE 71 HG12 -0.13 -0.01 -0.13 -0.04 1.49 1.18 2k60A10 ILE 71 HG13 -0.15 -0.03 -0.01 -0.04 1.21 0.98 2k60A10 ILE 71 HG23 -0.10 -0.00 -0.09 -0.04 0.93 0.69 2k60A10 ILE 71 HD13 -0.23 -0.00 -0.14 -0.04 0.88 0.48 2k60A10 HIS 72 H -0.08 0.54 -0.27 -0.55 8.41 8.05 2k60A10 HIS 72 HA -0.17 0.05 0.41 -0.75 4.63 4.16 2k60A10 HIS 72 HB2 -0.20 0.05 0.00 -0.04 3.26 3.07 2k60A10 HIS 72 HB3 -0.21 0.15 0.13 -0.04 3.20 3.23 2k60A10 HIS 72 HD2 -0.16 0.10 -0.42 -0.04 6.97 6.45 2k60A10 HIS 72 HE1 -0.06 -0.21 -0.46 -0.04 7.75 6.97 2k60A10 LYS 73 H -0.04 0.51 -0.24 -0.55 8.42 8.10 2k60A10 LYS 73 HA -0.05 -0.13 0.45 -0.75 4.32 3.84 2k60A10 LYS 73 HB2 -0.05 -0.12 0.15 -0.04 1.87 1.80 2k60A10 LYS 73 HB3 -0.08 0.12 0.31 -0.04 1.79 2.10 2k60A10 LYS 73 HG2 -0.09 0.02 -0.03 -0.04 1.46 1.32 2k60A10 LYS 73 HG3 -0.12 0.07 -0.28 -0.04 1.46 1.09 2k60A10 LYS 73 HD2 -0.16 -0.07 -0.09 -0.04 1.69 1.33 2k60A10 LYS 73 HD3 -0.08 -0.01 -0.02 -0.04 1.68 1.52 2k60A10 LYS 73 HE2 -0.08 0.05 -0.12 -0.04 2.99 2.81 2k60A10 LYS 73 HE3 -0.12 -0.08 -0.18 -0.04 2.99 2.57 2k60A10 LEU 74 H -0.14 0.41 -0.48 -0.55 8.37 7.61 2k60A10 LEU 74 HA -0.22 0.02 0.42 -0.75 4.35 3.81 2k60A10 LEU 74 HB2 -0.13 0.27 0.03 -0.04 1.64 1.77 2k60A10 LEU 74 HB3 -0.08 -0.09 0.01 -0.04 1.64 1.45 2k60A10 LEU 74 HG -0.11 0.06 0.12 -0.04 1.64 1.67 2k60A10 LEU 74 HD13 -0.08 -0.02 0.05 -0.04 0.93 0.85 2k60A10 LEU 74 HD23 -0.09 -0.03 -0.00 -0.04 0.89 0.73 2k60A10 MET 75 H -0.26 0.45 -0.57 -0.55 8.47 7.54 2k60A10 MET 75 HA -0.20 0.06 0.73 -0.75 4.52 4.36 2k60A10 MET 75 HB2 -0.33 0.20 0.09 -0.04 2.15 2.07 2k60A10 MET 75 HB3 -0.18 -0.16 -0.03 -0.04 2.03 1.61 2k60A10 MET 75 HG2 -0.12 -0.11 -0.06 -0.04 2.63 2.29 2k60A10 MET 75 HG3 -0.11 0.07 -0.32 -0.04 2.56 2.16 2k60A10 MET 75 HE3 -0.21 0.05 -0.03 -0.04 2.10 1.87 2k60A10 ASP 76 H -0.28 0.56 0.12 -0.55 8.40 8.25 2k60A10 ASP 76 HA -0.13 -0.02 0.84 -0.75 4.63 4.56 2k60A10 ASP 76 HB2 -0.08 -0.03 -0.22 -0.04 2.71 2.34 2k60A10 ASP 76 HB3 0.05 0.14 -0.07 -0.04 2.70 2.78 2k60A10 ASP 77 H -0.20 0.24 0.05 -0.55 8.40 7.94 2k60A10 ASP 77 HA -0.28 0.22 0.26 -0.75 4.63 4.07 2k60A10 ASP 77 HB2 -0.16 0.12 0.11 -0.04 2.71 2.75 2k60A10 ASP 77 HB3 -0.05 -0.16 0.16 -0.04 2.70 2.60 2k60A10 ASP 78 H -0.05 -0.02 -0.14 -0.55 8.40 7.64 2k60A10 ASP 78 HA -0.03 0.19 0.50 -0.75 4.63 4.54 2k60A10 ASP 78 HB2 -0.01 0.06 0.06 -0.04 2.71 2.78 2k60A10 ASP 78 HB3 -0.01 -0.01 0.03 -0.04 2.70 2.67 2k60A10 ALA 79 H -0.04 0.21 -0.54 -0.55 8.40 7.48 2k60A10 ALA 79 HA 0.00 -0.09 0.35 -0.75 4.34 3.84 2k60A10 ALA 79 HB3 -0.04 0.07 0.11 -0.04 1.41 1.51 2k60A10 ASN 80 H 0.02 0.06 0.02 -0.55 8.53 8.08 2k60A10 ASN 80 HA 0.00 0.34 0.85 -0.75 4.76 5.20 2k60A10 ASN 80 HB2 0.01 0.05 0.13 -0.04 2.88 3.03 2k60A10 ASN 80 HB3 0.01 0.04 -0.07 -0.04 2.79 2.72 2k60A10 ASN 80 HD21 0.02 0.17 0.13 -0.04 7.03 7.31 2k60A10 ASN 80 HD22 0.01 -0.15 0.02 -0.04 7.74 7.58 2k60A10 GLY 81 H 0.00 0.02 -0.11 -0.55 8.43 7.80 2k60A10 GLY 81 HA2 -0.14 0.02 0.31 -0.51 4.01 3.68 2k60A10 GLY 81 HA3 -0.01 0.28 0.81 -0.51 4.01 4.58 2k60A10 ASP 82 H 0.08 0.09 -0.19 -0.55 8.40 7.83 2k60A10 ASP 82 HA 0.29 0.31 0.94 -0.75 4.63 5.42 2k60A10 ASP 82 HB2 0.11 0.06 -0.07 -0.04 2.71 2.77 2k60A10 ASP 82 HB3 0.12 0.02 -0.12 -0.04 2.70 2.67 2k60A10 VAL 83 H 0.09 0.80 0.34 -0.55 8.24 8.92 2k60A10 VAL 83 HA -0.03 0.01 0.86 -0.75 4.13 4.23 2k60A10 VAL 83 HB -0.13 0.10 -0.22 -0.04 2.12 1.82 2k60A10 VAL 83 HG13 -0.55 0.05 -0.04 -0.04 0.97 0.39 2k60A10 VAL 83 HG23 -0.03 -0.03 -0.07 -0.04 0.95 0.78 2k60A10 ASP 84 H 0.00 0.12 0.26 -0.55 8.40 8.23 2k60A10 ASP 84 HA 0.01 0.25 0.92 -0.75 4.63 5.06 2k60A10 ASP 84 HB2 0.01 0.15 0.12 -0.04 2.71 2.94 2k60A10 ASP 84 HB3 0.01 -0.10 0.16 -0.04 2.70 2.73 2k60A10 VAL 85 H -0.00 0.20 0.12 -0.55 8.24 8.01 2k60A10 VAL 85 HA 0.02 0.18 0.32 -0.75 4.13 3.89 2k60A10 VAL 85 HB -0.07 0.09 0.02 -0.04 2.12 2.12 2k60A10 VAL 85 HG13 -0.08 0.03 -0.01 -0.04 0.97 0.87 2k60A10 VAL 85 HG23 -0.02 0.01 0.03 -0.04 0.95 0.93 2k60A10 GLU 86 H 0.01 0.00 -0.22 -0.55 8.60 7.85 2k60A10 GLU 86 HA 0.02 0.20 0.56 -0.75 4.29 4.31 2k60A10 GLU 86 HB2 0.02 -0.05 0.05 -0.04 2.09 2.06 2k60A10 GLU 86 HB3 0.02 0.08 0.05 -0.04 1.99 2.10 2k60A10 GLU 86 HG2 0.00 -0.11 0.02 -0.04 2.34 2.21 2k60A10 GLU 86 HG3 0.00 0.06 0.02 -0.04 2.34 2.38 2k60A10 GLU 87 H 0.03 -0.04 -0.28 -0.55 8.60 7.76 2k60A10 GLU 87 HA 0.08 0.09 0.48 -0.75 4.29 4.18 2k60A10 GLU 87 HB2 -0.00 0.07 0.36 -0.04 2.09 2.48 2k60A10 GLU 87 HB3 -0.04 -0.04 0.29 -0.04 1.99 2.15 2k60A10 GLU 87 HG2 0.01 0.08 0.12 -0.04 2.34 2.51 2k60A10 GLU 87 HG3 0.01 -0.08 0.17 -0.04 2.34 2.40 2k60A10 SER 88 H 0.07 0.49 -0.01 -0.55 8.46 8.46 2k60A10 SER 88 HA 0.21 0.18 0.37 -0.75 4.49 4.50 2k60A10 SER 88 HB2 0.04 -0.12 0.14 -0.04 3.95 3.97 2k60A10 SER 88 HB3 -0.02 0.01 0.02 -0.04 3.93 3.90 2k60A10 ASP 89 H 0.11 0.17 -0.97 -0.55 8.40 7.17 2k60A10 ASP 89 HA 0.06 0.05 0.26 -0.75 4.63 4.25 2k60A10 ASP 89 HB2 0.02 0.09 0.14 -0.04 2.71 2.93 2k60A10 ASP 89 HB3 0.03 0.02 0.12 -0.04 2.70 2.83 2k60A10 GLU 90 H -0.05 0.16 -0.03 -0.55 8.60 8.14 2k60A10 GLU 90 HA -0.09 0.14 0.68 -0.75 4.29 4.27 2k60A10 GLU 90 HB2 -0.18 0.00 0.11 -0.04 2.09 1.99 2k60A10 GLU 90 HB3 -0.47 0.01 0.14 -0.04 1.99 1.63 2k60A10 GLU 90 HG2 -0.27 0.00 -0.15 -0.04 2.34 1.89 2k60A10 GLU 90 HG3 -0.15 0.02 0.08 -0.04 2.34 2.24 2k60A10 PHE 91 H -0.07 0.06 -0.13 -0.55 8.34 7.65 2k60A10 PHE 91 HA -0.06 0.01 0.32 -0.75 4.62 4.13 2k60A10 PHE 91 HB2 -0.06 -0.11 0.24 -0.04 3.15 3.18 2k60A10 PHE 91 HB3 -0.08 0.23 0.10 -0.04 3.06 3.27 2k60A10 PHE 91 HD2 -0.04 0.10 0.17 -0.04 7.28 7.46 2k60A10 PHE 91 HE2 -0.03 -0.03 0.08 -0.04 7.38 7.36 2k60A10 PHE 91 HZ -0.02 -0.06 0.03 -0.04 7.32 7.24 2k60A10 LEU 92 H 0.09 0.63 -0.02 -0.55 8.37 8.53 2k60A10 LEU 92 HA -0.07 0.06 0.15 -0.75 4.35 3.74 2k60A10 LEU 92 HB2 -0.16 -0.04 0.06 -0.04 1.64 1.46 2k60A10 LEU 92 HB3 -0.10 0.03 0.04 -0.04 1.64 1.57 2k60A10 LEU 92 HG -0.20 -0.03 -0.17 -0.04 1.64 1.20 2k60A10 LEU 92 HD13 -0.18 0.00 -0.07 -0.04 0.93 0.65 2k60A10 LEU 92 HD23 -0.90 -0.01 -0.08 -0.04 0.89 -0.14 2k60A10 ARG 93 H -0.00 0.22 -0.38 -0.55 8.46 7.74 2k60A10 ARG 93 HA -0.02 -0.11 -0.01 -0.75 4.34 3.44 2k60A10 ARG 93 HB2 -0.05 0.02 0.22 -0.04 1.90 2.05 2k60A10 ARG 93 HB3 -0.05 0.35 0.01 -0.04 1.80 2.06 2k60A10 ARG 93 HG2 0.00 -0.21 0.14 -0.04 1.67 1.56 2k60A10 ARG 93 HG3 -0.01 0.31 0.24 -0.04 1.67 2.17 2k60A10 ARG 93 HD2 -0.07 -0.06 0.15 -0.04 3.22 3.20 2k60A10 ARG 93 HD3 -0.10 0.04 0.16 -0.04 3.22 3.28 2k60A10 GLU 94 H -0.06 0.59 -0.02 -0.55 8.60 8.55 2k60A10 GLU 94 HA -0.07 0.11 0.26 -0.75 4.29 3.84 2k60A10 GLU 94 HB2 -0.09 -0.00 0.15 -0.04 2.09 2.11 2k60A10 GLU 94 HB3 -0.08 -0.04 0.06 -0.04 1.99 1.88 2k60A10 GLU 94 HG2 -0.02 0.16 0.09 -0.04 2.34 2.53 2k60A10 GLU 94 HG3 -0.07 0.03 0.12 -0.04 2.34 2.37 2k60A10 ASP 95 H -0.07 0.47 0.01 -0.55 8.40 8.27 2k60A10 ASP 95 HA -0.12 -0.06 0.07 -0.75 4.63 3.77 2k60A10 ASP 95 HB2 -0.01 0.26 0.05 -0.04 2.71 2.97 2k60A10 ASP 95 HB3 -0.05 -0.02 -0.02 -0.04 2.70 2.57 2k60A10 LEU 96 H -0.12 0.44 -0.14 -0.55 8.37 8.01 2k60A10 LEU 96 HA -0.21 0.17 0.54 -0.75 4.35 4.09 2k60A10 LEU 96 HB2 -0.07 0.01 0.28 -0.04 1.64 1.82 2k60A10 LEU 96 HB3 -0.09 0.09 0.08 -0.04 1.64 1.68 2k60A10 LEU 96 HG -0.06 -0.06 -0.26 -0.04 1.64 1.22 2k60A10 LEU 96 HD13 -0.10 0.03 -0.17 -0.04 0.93 0.66 2k60A10 LEU 96 HD23 -0.09 0.01 -0.17 -0.04 0.89 0.59 2k60A10 ASN 97 H -0.13 0.40 0.04 -0.55 8.53 8.30 2k60A10 ASN 97 HA 0.03 0.18 0.94 -0.75 4.76 5.16 2k60A10 ASN 97 HB2 -0.05 0.05 -0.17 -0.04 2.88 2.67 2k60A10 ASN 97 HB3 0.01 -0.01 -0.31 -0.04 2.79 2.43 2k60A10 ASN 97 HD21 0.07 -0.04 0.23 -0.04 7.03 7.25 2k60A10 ASN 97 HD22 0.00 -0.04 0.09 -0.04 7.74 7.75 2k60A10 TYR 98 H -0.20 0.41 0.21 -0.55 8.29 8.16 2k60A10 TYR 98 HA 0.01 0.06 0.45 -0.75 4.56 4.31 2k60A10 TYR 98 HB2 0.03 0.10 0.19 -0.04 3.06 3.33 2k60A10 TYR 98 HB3 0.03 -0.07 0.04 -0.04 2.98 2.93 2k60A10 TYR 98 HD2 0.00 -0.01 -0.25 -0.04 7.15 6.85 2k60A10 TYR 98 HE2 -0.00 -0.01 -0.07 -0.04 6.85 6.73 2k60A10 HIS 99 H 0.22 0.64 -0.06 -0.55 8.41 8.67 2k60A10 HIS 99 HA 0.04 0.21 0.92 -0.75 4.63 5.05 2k60A10 HIS 99 HB2 0.04 0.01 -0.01 -0.04 3.26 3.26 2k60A10 HIS 99 HB3 0.04 -0.03 0.20 -0.04 3.20 3.37 2k60A10 HIS 99 HD2 0.02 -0.04 0.01 -0.04 6.97 6.92 2k60A10 HIS 99 HE1 0.01 -0.02 -0.01 -0.04 7.75 7.69 2k60A10 ASP 100 H 0.17 0.18 0.13 -0.55 8.40 8.34 2k60A10 ASP 100 HA -0.07 0.35 1.20 -0.75 4.63 5.36 2k60A10 ASP 100 HB2 -0.10 0.08 -0.02 -0.04 2.71 2.63 2k60A10 ASP 100 HB3 0.13 0.01 0.14 -0.04 2.70 2.94 2k60A10 PRO 101 HA -0.00 0.16 0.27 -0.51 4.44 4.36 2k60A10 PRO 101 HB2 -0.06 -0.02 -0.02 -0.04 2.28 2.14 2k60A10 PRO 101 HB3 -0.03 0.09 -0.27 -0.04 2.02 1.77 2k60A10 PRO 101 HG2 0.26 -0.00 -0.09 -0.04 2.03 2.16 2k60A10 PRO 101 HG3 0.13 0.13 0.02 -0.04 2.03 2.28 2k60A10 PRO 101 HD2 0.01 0.10 0.24 -0.04 3.68 3.99 2k60A10 PRO 101 HD3 -0.01 0.33 0.18 -0.04 3.65 4.11 2k60A10 THR 102 H 0.09 0.17 -0.36 -0.55 8.28 7.63 2k60A10 THR 102 HA 0.17 0.05 0.32 -0.75 4.39 4.18 2k60A10 THR 102 HB 0.06 0.03 0.03 -0.04 4.32 4.39 2k60A10 THR 102 HG23 0.05 0.02 -0.06 -0.04 1.22 1.19 2k60A10 VAL 103 H 0.06 0.16 -0.25 -0.55 8.24 7.66 2k60A10 VAL 103 HA 0.09 0.08 0.37 -0.75 4.13 3.92 2k60A10 VAL 103 HB 0.03 -0.00 0.08 -0.04 2.12 2.18 2k60A10 VAL 103 HG13 -0.07 0.03 0.06 -0.04 0.97 0.95 2k60A10 VAL 103 HG23 -0.03 0.03 -0.09 -0.04 0.95 0.81 2k60A10 LYS 104 H -0.01 0.09 -0.21 -0.55 8.42 7.73 2k60A10 LYS 104 HA 0.16 0.11 0.32 -0.75 4.32 4.15 2k60A10 LYS 104 HB2 -0.09 -0.05 0.08 -0.04 1.87 1.77 2k60A10 LYS 104 HB3 -0.10 0.01 -0.03 -0.04 1.79 1.64 2k60A10 LYS 104 HG2 -0.05 0.01 -0.03 -0.04 1.46 1.35 2k60A10 LYS 104 HG3 -0.09 0.03 -0.06 -0.04 1.46 1.30 2k60A10 LYS 104 HD2 0.06 0.01 -0.23 -0.04 1.69 1.49 2k60A10 LYS 104 HD3 -0.08 -0.05 -0.14 -0.04 1.68 1.37 2k60A10 LYS 104 HE2 0.11 -0.06 -0.17 -0.04 2.99 2.83 2k60A10 LYS 104 HE3 0.28 0.08 -0.12 -0.04 2.99 3.19 2k60A10 HIS 105 H 0.12 0.69 -0.05 -0.55 8.41 8.62 2k60A10 HIS 105 HA 0.12 0.05 0.34 -0.75 4.63 4.39 2k60A10 HIS 105 HB2 0.05 0.00 0.14 -0.04 3.26 3.42 2k60A10 HIS 105 HB3 0.07 -0.06 0.03 -0.04 3.20 3.19 2k60A10 HIS 105 HD2 0.01 -0.13 -0.50 -0.04 6.97 6.30 2k60A10 HIS 105 HE1 -0.00 -0.09 -0.12 -0.04 7.75 7.50 2k60A10 SER 106 H 0.20 0.72 0.00 -0.55 8.46 8.84 2k60A10 SER 106 HA 0.16 -0.01 0.36 -0.75 4.49 4.24 2k60A10 SER 106 HB2 0.11 0.06 0.05 -0.04 3.95 4.14 2k60A10 SER 106 HB3 0.09 0.00 0.10 -0.04 3.93 4.08 2k60A10 THR 107 H 0.21 0.44 -0.28 -0.55 8.28 8.10 2k60A10 THR 107 HA 0.14 0.01 0.62 -0.75 4.39 4.40 2k60A10 THR 107 HB 0.40 0.08 0.19 -0.04 4.32 4.95 2k60A10 THR 107 HG23 0.08 -0.02 -0.08 -0.04 1.22 1.16 2k60A10 PHE 108 H 0.32 0.50 -0.10 -0.55 8.34 8.51 2k60A10 PHE 108 HA 0.07 0.09 0.48 -0.75 4.62 4.50 2k60A10 PHE 108 HB2 0.11 0.13 0.15 -0.04 3.15 3.50 2k60A10 PHE 108 HB3 0.12 -0.02 0.19 -0.04 3.06 3.31 2k60A10 PHE 108 HD2 0.12 0.16 0.04 -0.04 7.28 7.56 2k60A10 PHE 108 HE2 0.12 -0.15 0.01 -0.04 7.38 7.32 2k60A10 PHE 108 HZ 0.11 -0.24 -0.28 -0.04 7.32 6.87 2k60A10 HIS 109 H 0.35 0.54 0.12 -0.55 8.41 8.88 2k60A10 HIS 109 HA -0.14 0.07 0.59 -0.75 4.63 4.40 2k60A10 HIS 109 HB2 0.22 0.34 -0.04 -0.04 3.26 3.74 2k60A10 HIS 109 HB3 0.10 0.19 -0.24 -0.04 3.20 3.22 2k60A10 HIS 109 HD2 0.14 0.05 -0.12 -0.04 6.97 6.99 2k60A10 HIS 109 HE1 0.02 0.02 -0.12 -0.04 7.75 7.63 2k60A10 GLY 110 H 0.18 0.25 0.01 -0.55 8.43 8.33 2k60A10 GLY 110 HA2 0.07 0.26 0.47 -0.51 4.01 4.31 2k60A10 GLY 110 HA3 0.01 0.13 0.49 -0.51 4.01 4.13 2k60A10 GLU 111 H 0.06 0.61 -0.42 -0.55 8.60 8.30 2k60A10 GLU 111 HA 0.07 0.08 0.37 -0.75 4.29 4.06 2k60A10 GLU 111 HB2 0.01 0.08 0.11 -0.04 2.09 2.25 2k60A10 GLU 111 HB3 0.20 -0.02 -0.02 -0.04 1.99 2.11 2k60A10 GLU 111 HG2 0.06 -0.02 0.03 -0.04 2.34 2.37 2k60A10 GLU 111 HG3 0.10 -0.05 0.10 -0.04 2.34 2.45 2k60A10 ASP 112 H 0.26 0.33 -0.56 -0.55 8.40 7.88 2k60A10 ASP 112 HA 0.02 0.12 0.42 -0.75 4.63 4.44 2k60A10 ASP 112 HB2 -0.01 0.18 -0.43 -0.04 2.71 2.40 2k60A10 ASP 112 HB3 -0.62 -0.06 -0.11 -0.04 2.70 1.87 2k60A10 LYS 113 H -0.08 0.08 0.11 -0.55 8.42 7.98 2k60A10 LYS 113 HA 0.16 0.29 0.74 -0.75 4.32 4.75 2k60A10 LYS 113 HB2 -0.13 -0.07 0.00 -0.04 1.87 1.63 2k60A10 LYS 113 HB3 -0.47 0.02 0.06 -0.04 1.79 1.36 2k60A10 LYS 113 HG2 -0.06 -0.10 -0.26 -0.04 1.46 1.00 2k60A10 LYS 113 HG3 -0.18 0.01 -0.08 -0.04 1.46 1.17 2k60A10 LYS 113 HD2 -0.11 -0.05 -0.08 -0.04 1.69 1.41 2k60A10 LYS 113 HD3 0.05 0.18 -0.38 -0.04 1.68 1.50 2k60A10 LYS 113 HE2 0.02 0.04 -0.09 -0.04 2.99 2.93 2k60A10 LYS 113 HE3 0.01 0.03 -0.21 -0.04 2.99 2.78 2k60A10 LEU 114 H -0.21 -0.06 -0.03 -0.55 8.37 7.52 2k60A10 LEU 114 HA 0.06 0.23 0.53 -0.75 4.35 4.42 2k60A10 LEU 114 HB2 -0.32 -0.03 0.04 -0.04 1.64 1.28 2k60A10 LEU 114 HB3 0.02 0.02 -0.08 -0.04 1.64 1.56 2k60A10 LEU 114 HG -0.00 0.31 0.14 -0.04 1.64 2.04 2k60A10 LEU 114 HD13 -0.08 -0.05 0.02 -0.04 0.93 0.79 2k60A10 LEU 114 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.76 2k60A10 ILE 115 H 0.09 0.22 0.30 -0.55 8.25 8.32 2k60A10 ILE 115 HA 0.41 0.24 0.82 -0.75 4.18 4.90 2k60A10 ILE 115 HB -0.24 -0.15 0.06 -0.04 1.89 1.52 2k60A10 ILE 115 HG12 -0.02 -0.05 -0.05 -0.04 1.49 1.33 2k60A10 ILE 115 HG13 -0.22 0.02 -0.06 -0.04 1.21 0.91 2k60A10 ILE 115 HG23 -0.49 0.04 -0.04 -0.04 0.93 0.39 2k60A10 ILE 115 HD13 0.06 0.07 -0.24 -0.04 0.88 0.74 2k60A10 SER 116 H 0.47 0.28 0.14 -0.55 8.46 8.82 2k60A10 SER 116 HA 0.31 0.28 1.20 -0.75 4.49 5.53 2k60A10 SER 116 HB2 0.14 -0.08 0.11 -0.04 3.95 4.08 2k60A10 SER 116 HB3 0.19 0.05 -0.00 -0.04 3.93 4.13 2k60A10 VAL 117 H -0.39 0.73 0.27 -0.55 8.24 8.31 2k60A10 VAL 117 HA -0.42 0.13 0.26 -0.75 4.13 3.35 2k60A10 VAL 117 HB -0.63 0.03 0.03 -0.04 2.12 1.51 2k60A10 VAL 117 HG13 -0.86 0.03 0.03 -0.04 0.97 0.13 2k60A10 VAL 117 HG23 -0.20 0.03 0.02 -0.04 0.95 0.75 2k60A10 GLU 118 H 0.06 0.16 -0.08 -0.55 8.60 8.18 2k60A10 GLU 118 HA 0.50 0.13 0.49 -0.75 4.29 4.65 2k60A10 GLU 118 HB2 0.39 0.06 0.03 -0.04 2.09 2.53 2k60A10 GLU 118 HB3 0.38 0.03 0.07 -0.04 1.99 2.43 2k60A10 GLU 118 HG2 0.14 -0.06 0.08 -0.04 2.34 2.46 2k60A10 GLU 118 HG3 0.18 0.05 -0.07 -0.04 2.34 2.45 2k60A10 ASP 119 H 0.22 0.04 -0.25 -0.55 8.40 7.86 2k60A10 ASP 119 HA 0.20 0.12 0.58 -0.75 4.63 4.77 2k60A10 ASP 119 HB2 0.42 -0.05 0.15 -0.04 2.71 3.18 2k60A10 ASP 119 HB3 0.24 0.13 0.05 -0.04 2.70 3.08 2k60A10 LEU 120 H 0.26 0.54 -0.11 -0.55 8.37 8.52 2k60A10 LEU 120 HA 0.27 0.15 0.56 -0.75 4.35 4.57 2k60A10 LEU 120 HB2 0.03 0.03 0.12 -0.04 1.64 1.77 2k60A10 LEU 120 HB3 0.01 0.04 -0.08 -0.04 1.64 1.58 2k60A10 LEU 120 HG -0.07 0.01 -0.04 -0.04 1.64 1.50 2k60A10 LEU 120 HD13 -0.02 -0.02 -0.12 -0.04 0.93 0.73 2k60A10 LEU 120 HD23 -0.47 0.05 0.03 -0.04 0.89 0.46 2k60A10 TRP 121 H 0.31 0.54 -0.12 -0.55 7.97 8.15 2k60A10 TRP 121 HA 0.34 0.00 0.37 -0.75 4.62 4.58 2k60A10 TRP 121 HB2 0.06 0.12 0.19 -0.04 3.23 3.56 2k60A10 TRP 121 HB3 0.16 0.16 0.23 -0.04 3.23 3.73 2k60A10 TRP 121 HD1 0.63 0.02 0.04 -0.04 7.22 7.87 2k60A10 TRP 121 HE1 0.34 -0.03 -0.02 -0.04 10.20 10.44 2k60A10 TRP 121 HE3 0.25 -0.02 0.04 -0.04 7.59 7.82 2k60A10 TRP 121 HZ2 0.11 -0.02 -0.00 -0.04 7.44 7.49 2k60A10 TRP 121 HZ3 0.03 -0.00 -0.01 -0.04 7.13 7.11 2k60A10 TRP 121 HH2 -0.03 0.00 -0.01 -0.04 7.19 7.11 2k60A10 LYS 122 H 0.28 0.59 -0.18 -0.55 8.42 8.56 2k60A10 LYS 122 HA -0.14 -0.00 0.40 -0.75 4.32 3.82 2k60A10 LYS 122 HB2 0.10 0.06 0.23 -0.04 1.87 2.22 2k60A10 LYS 122 HB3 -0.01 0.02 -0.01 -0.04 1.79 1.75 2k60A10 LYS 122 HG2 -0.02 -0.04 0.02 -0.04 1.46 1.39 2k60A10 LYS 122 HG3 -0.12 -0.02 0.03 -0.04 1.46 1.31 2k60A10 LYS 122 HD2 -0.29 -0.08 -0.03 -0.04 1.69 1.25 2k60A10 LYS 122 HD3 0.12 0.30 0.09 -0.04 1.68 2.14 2k60A10 LYS 122 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.89 2k60A10 LYS 122 HE3 -0.22 0.00 -0.01 -0.04 2.99 2.72 2k60A10 ALA 123 H 0.20 0.68 -0.06 -0.55 8.40 8.67 2k60A10 ALA 123 HA 0.06 -0.01 0.37 -0.75 4.34 4.00 2k60A10 ALA 123 HB3 0.28 0.03 0.16 -0.04 1.41 1.84 2k60A10 TRP 124 H 0.36 0.88 -0.02 -0.55 7.97 8.65 2k60A10 TRP 124 HA 0.01 -0.02 0.39 -0.75 4.62 4.24 2k60A10 TRP 124 HB2 0.05 0.08 0.13 -0.04 3.23 3.45 2k60A10 TRP 124 HB3 0.07 0.14 0.17 -0.04 3.23 3.58 2k60A10 TRP 124 HD1 0.07 -0.07 -0.01 -0.04 7.22 7.17 2k60A10 TRP 124 HE1 0.22 0.56 -0.05 -0.04 10.20 10.90 2k60A10 TRP 124 HE3 0.22 0.15 0.13 -0.04 7.59 8.05 2k60A10 TRP 124 HZ2 0.38 -0.10 0.03 -0.04 7.44 7.71 2k60A10 TRP 124 HZ3 0.47 -0.08 -0.01 -0.04 7.13 7.47 2k60A10 TRP 124 HH2 0.21 -0.09 0.01 -0.04 7.19 7.28 2k60A10 LYS 125 H -0.07 0.57 -0.15 -0.55 8.42 8.22 2k60A10 LYS 125 HA -0.85 -0.05 0.40 -0.75 4.32 3.06 2k60A10 LYS 125 HB2 -0.34 0.15 0.14 -0.04 1.87 1.79 2k60A10 LYS 125 HB3 -0.40 -0.07 0.04 -0.04 1.79 1.32 2k60A10 LYS 125 HG2 -1.59 -0.08 0.04 -0.04 1.46 -0.22 2k60A10 LYS 125 HG3 -0.50 0.25 0.12 -0.04 1.46 1.29 2k60A10 LYS 125 HD2 -0.47 -0.03 0.00 -0.04 1.69 1.14 2k60A10 LYS 125 HD3 -0.49 -0.10 -0.01 -0.04 1.68 1.03 2k60A10 LYS 125 HE2 -0.77 0.01 -0.20 -0.04 2.99 1.99 2k60A10 LYS 125 HE3 -0.41 0.07 -0.01 -0.04 2.99 2.60 2k60A10 SER 126 H -0.12 0.40 -0.36 -0.55 8.46 7.83 2k60A10 SER 126 HA -0.13 0.04 0.67 -0.75 4.49 4.32 2k60A10 SER 126 HB2 -0.10 -0.03 0.06 -0.04 3.95 3.85 2k60A10 SER 126 HB3 -0.06 0.11 0.14 -0.04 3.93 4.07 2k60A10 SER 127 H -0.10 0.41 -0.03 -0.55 8.46 8.19 2k60A10 SER 127 HA -0.16 0.05 0.44 -0.75 4.49 4.07 2k60A10 SER 127 HB2 -0.04 0.04 0.14 -0.04 3.95 4.05 2k60A10 SER 127 HB3 -0.16 -0.19 0.11 -0.04 3.93 3.66 2k60A10 GLU 128 H -0.37 0.19 0.17 -0.55 8.60 8.05 2k60A10 GLU 128 HA -0.59 0.11 0.34 -0.75 4.29 3.40 2k60A10 GLU 128 HB2 -1.07 -0.01 0.06 -0.04 2.09 1.03 2k60A10 GLU 128 HB3 -1.28 -0.01 0.03 -0.04 1.99 0.69 2k60A10 GLU 128 HG2 -0.30 0.02 0.13 -0.04 2.34 2.15 2k60A10 GLU 128 HG3 -0.22 0.01 0.05 -0.04 2.34 2.13 2k60A10 VAL 129 H -0.56 0.08 -0.43 -0.55 8.24 6.78 2k60A10 VAL 129 HA -0.36 0.00 0.28 -0.75 4.13 3.30 2k60A10 VAL 129 HB 0.18 0.07 0.10 -0.04 2.12 2.42 2k60A10 VAL 129 HG13 0.40 0.01 -0.12 -0.04 0.97 1.22 2k60A10 VAL 129 HG23 -0.02 0.03 -0.07 -0.04 0.95 0.84 2k60A10 TYR 130 H -0.17 0.50 -0.07 -0.55 8.29 8.00 2k60A10 TYR 130 HA -0.05 -0.12 0.22 -0.75 4.56 3.85 2k60A10 TYR 130 HB2 -1.75 -0.04 -0.16 -0.04 3.06 1.06 2k60A10 TYR 130 HB3 -0.67 0.29 0.08 -0.04 2.98 2.64 2k60A10 TYR 130 HD2 -0.26 0.10 -0.09 -0.04 7.15 6.86 2k60A10 TYR 130 HE2 -0.09 -0.04 -0.00 -0.04 6.85 6.68 2k60A10 ASN 131 H -0.32 0.24 -0.66 -0.55 8.53 7.25 2k60A10 ASN 131 HA -0.31 0.06 0.44 -0.75 4.76 4.19 2k60A10 ASN 131 HB2 -0.38 0.03 0.03 -0.04 2.88 2.53 2k60A10 ASN 131 HB3 -0.21 -0.11 0.09 -0.04 2.79 2.51 2k60A10 ASN 131 HD21 -0.23 -0.13 -0.21 -0.04 7.03 6.42 2k60A10 ASN 131 HD22 -0.16 0.08 -0.12 -0.04 7.74 7.49 2k60A10 TRP 132 H -0.13 0.43 -0.35 -0.55 7.97 7.37 2k60A10 TRP 132 HA -0.13 0.01 0.78 -0.75 4.62 4.53 2k60A10 TRP 132 HB2 -0.10 0.21 0.19 -0.04 3.23 3.49 2k60A10 TRP 132 HB3 -0.11 -0.14 -0.06 -0.04 3.23 2.87 2k60A10 TRP 132 HD1 -0.18 -0.04 -0.01 -0.04 7.22 6.95 2k60A10 TRP 132 HE1 -0.30 -0.02 -0.05 -0.04 10.20 9.79 2k60A10 TRP 132 HE3 -0.22 0.02 -0.06 -0.04 7.59 7.29 2k60A10 TRP 132 HZ2 -0.59 0.01 -0.05 -0.04 7.44 6.77 2k60A10 TRP 132 HZ3 -0.28 0.01 -0.07 -0.04 7.13 6.75 2k60A10 TRP 132 HH2 -0.39 0.01 -0.05 -0.04 7.19 6.72 2k60A10 THR 133 H 0.12 0.14 0.22 -0.55 8.28 8.21 2k60A10 THR 133 HA 0.03 0.23 0.69 -0.75 4.39 4.59 2k60A10 THR 133 HB -0.00 0.19 0.14 -0.04 4.32 4.61 2k60A10 THR 133 HG23 0.00 -0.05 0.04 -0.04 1.22 1.17 2k60A10 VAL 134 H 0.02 0.19 0.20 -0.55 8.24 8.10 2k60A10 VAL 134 HA 0.05 0.50 0.54 -0.75 4.13 4.47 2k60A10 VAL 134 HB -0.03 -0.09 0.16 -0.04 2.12 2.12 2k60A10 VAL 134 HG13 0.04 0.03 0.03 -0.04 0.97 1.02 2k60A10 VAL 134 HG23 0.08 0.06 0.02 -0.04 0.95 1.07 2k60A10 ASP 135 H -0.07 0.12 -0.04 -0.55 8.40 7.86 2k60A10 ASP 135 HA -0.20 0.09 0.34 -0.75 4.63 4.11 2k60A10 ASP 135 HB2 -0.06 -0.03 0.07 -0.04 2.71 2.66 2k60A10 ASP 135 HB3 -0.08 0.06 0.03 -0.04 2.70 2.67 2k60A10 GLU 136 H -0.04 0.07 -0.47 -0.55 8.60 7.61 2k60A10 GLU 136 HA -0.16 0.09 0.34 -0.75 4.29 3.79 2k60A10 GLU 136 HB2 -0.01 0.10 0.07 -0.04 2.09 2.21 2k60A10 GLU 136 HB3 -0.56 0.08 0.02 -0.04 1.99 1.49 2k60A10 GLU 136 HG2 -0.00 -0.13 0.05 -0.04 2.34 2.21 2k60A10 GLU 136 HG3 0.14 0.06 0.11 -0.04 2.34 2.62 2k60A10 VAL 137 H -0.02 0.60 -0.14 -0.55 8.24 8.13 2k60A10 VAL 137 HA -0.02 0.08 0.45 -0.75 4.13 3.89 2k60A10 VAL 137 HB 0.13 0.02 -0.14 -0.04 2.12 2.09 2k60A10 VAL 137 HG13 0.09 -0.01 -0.33 -0.04 0.97 0.68 2k60A10 VAL 137 HG23 0.16 -0.00 -0.15 -0.04 0.95 0.91 2k60A10 VAL 138 H -0.02 0.59 -0.25 -0.55 8.24 8.01 2k60A10 VAL 138 HA 0.08 0.01 0.39 -0.75 4.13 3.85 2k60A10 VAL 138 HB -0.13 0.11 0.18 -0.04 2.12 2.24 2k60A10 VAL 138 HG13 -0.06 -0.02 -0.13 -0.04 0.97 0.72 2k60A10 VAL 138 HG23 -0.09 0.04 -0.01 -0.04 0.95 0.85 2k60A10 GLN 139 H -0.06 0.59 -0.09 -0.55 8.47 8.36 2k60A10 GLN 139 HA -0.12 0.01 0.33 -0.75 4.36 3.83 2k60A10 GLN 139 HB2 -0.03 -0.02 0.07 -0.04 2.15 2.13 2k60A10 GLN 139 HB3 -0.07 -0.00 0.11 -0.04 2.02 2.02 2k60A10 GLN 139 HG2 -0.07 0.09 0.23 -0.04 2.40 2.61 2k60A10 GLN 139 HG3 0.11 0.06 -0.08 -0.04 2.39 2.45 2k60A10 GLN 139 HE21 -0.11 0.05 -0.00 -0.04 6.97 6.87 2k60A10 GLN 139 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.59 2k60A10 TRP 140 H 0.13 0.39 -0.45 -0.55 7.97 7.49 2k60A10 TRP 140 HA -0.08 0.05 0.43 -0.75 4.62 4.27 2k60A10 TRP 140 HB2 -0.43 0.27 0.15 -0.04 3.23 3.18 2k60A10 TRP 140 HB3 -0.15 0.03 0.05 -0.04 3.23 3.11 2k60A10 TRP 140 HD1 -0.06 0.01 -0.11 -0.04 7.22 7.01 2k60A10 TRP 140 HE1 -0.03 0.02 -0.04 -0.04 10.20 10.10 2k60A10 TRP 140 HE3 -0.30 -0.03 -0.11 -0.04 7.59 7.12 2k60A10 TRP 140 HZ2 0.22 0.02 -0.03 -0.04 7.44 7.61 2k60A10 TRP 140 HZ3 -0.08 -0.02 -0.04 -0.04 7.13 6.95 2k60A10 TRP 140 HH2 0.15 0.00 -0.03 -0.04 7.19 7.27 2k60A10 LEU 141 H 0.15 0.81 -0.03 -0.55 8.37 8.76 2k60A10 LEU 141 HA 0.11 0.01 0.35 -0.75 4.35 4.07 2k60A10 LEU 141 HB2 0.12 -0.05 0.06 -0.04 1.64 1.73 2k60A10 LEU 141 HB3 0.14 0.17 0.10 -0.04 1.64 2.01 2k60A10 LEU 141 HG 0.09 0.14 0.07 -0.04 1.64 1.90 2k60A10 LEU 141 HD13 0.15 -0.05 -0.17 -0.04 0.93 0.82 2k60A10 LEU 141 HD23 0.19 -0.04 -0.08 -0.04 0.89 0.92 2k60A10 ILE 142 H -0.02 0.56 -0.23 -0.55 8.25 8.01 2k60A10 ILE 142 HA -0.00 -0.02 0.47 -0.75 4.18 3.88 2k60A10 ILE 142 HB -0.12 -0.02 -0.05 -0.04 1.89 1.65 2k60A10 ILE 142 HG12 -0.16 0.23 0.19 -0.04 1.49 1.70 2k60A10 ILE 142 HG13 -0.16 0.07 0.08 -0.04 1.21 1.17 2k60A10 ILE 142 HG23 -0.23 0.06 0.00 -0.04 0.93 0.72 2k60A10 ILE 142 HD13 -0.39 -0.04 -0.04 -0.04 0.88 0.37 2k60A10 THR 143 H -0.15 0.55 -0.11 -0.55 8.28 8.02 2k60A10 THR 143 HA -0.21 0.01 0.15 -0.75 4.39 3.58 2k60A10 THR 143 HB -0.25 0.02 0.15 -0.04 4.32 4.20 2k60A10 THR 143 HG23 -0.71 0.01 0.03 -0.04 1.22 0.51 2k60A10 TYR 144 H -0.13 0.29 -0.44 -0.55 8.29 7.46 2k60A10 TYR 144 HA -0.20 0.18 0.84 -0.75 4.56 4.63 2k60A10 TYR 144 HB2 -0.40 0.24 0.13 -0.04 3.06 2.99 2k60A10 TYR 144 HB3 -0.17 -0.02 -0.07 -0.04 2.98 2.68 2k60A10 TYR 144 HD2 -0.98 0.02 0.02 -0.04 7.15 6.16 2k60A10 TYR 144 HE2 -0.92 -0.03 -0.02 -0.04 6.85 5.84 2k60A10 VAL 145 H 0.05 0.25 0.12 -0.55 8.24 8.10 2k60A10 VAL 145 HA 0.06 0.12 0.46 -0.75 4.13 4.01 2k60A10 VAL 145 HB 0.07 0.12 0.18 -0.04 2.12 2.45 2k60A10 VAL 145 HG13 0.07 -0.02 -0.13 -0.04 0.97 0.84 2k60A10 VAL 145 HG23 0.08 -0.00 0.04 -0.04 0.95 1.03 2k60A10 GLU 146 H -0.00 0.37 -0.13 -0.55 8.60 8.30 2k60A10 GLU 146 HA -0.01 0.20 0.25 -0.75 4.29 3.97 2k60A10 GLU 146 HB2 0.02 0.12 0.17 -0.04 2.09 2.36 2k60A10 GLU 146 HB3 -0.00 -0.11 0.13 -0.04 1.99 1.97 2k60A10 GLU 146 HG2 -0.04 0.06 -0.22 -0.04 2.34 2.11 2k60A10 GLU 146 HG3 0.01 0.18 -0.72 -0.04 2.34 1.77 2k60A10 LEU 147 H 0.06 0.22 -0.24 -0.55 8.37 7.86 2k60A10 LEU 147 HA 0.08 0.24 0.76 -0.75 4.35 4.67 2k60A10 LEU 147 HB2 0.11 0.07 -0.06 -0.04 1.64 1.72 2k60A10 LEU 147 HB3 0.14 -0.18 -0.01 -0.04 1.64 1.55 2k60A10 LEU 147 HG 0.20 -0.01 -0.09 -0.04 1.64 1.70 2k60A10 LEU 147 HD13 0.07 -0.02 -0.04 -0.04 0.93 0.90 2k60A10 LEU 147 HD23 0.11 0.04 -0.17 -0.04 0.89 0.83 2k60A10 PRO 148 HA 0.37 0.12 0.54 -0.51 4.44 4.96 2k60A10 PRO 148 HB2 0.11 -0.00 0.16 -0.04 2.28 2.51 2k60A10 PRO 148 HB3 0.16 0.04 0.10 -0.04 2.02 2.28 2k60A10 PRO 148 HG2 0.05 0.01 0.07 -0.04 2.03 2.13 2k60A10 PRO 148 HG3 0.06 0.11 0.01 -0.04 2.03 2.17 2k60A10 PRO 148 HD2 0.06 0.05 0.17 -0.04 3.68 3.92 2k60A10 PRO 148 HD3 0.06 0.64 0.39 -0.04 3.65 4.71 2k60A10 GLN 149 H 0.14 0.21 -0.67 -0.55 8.47 7.61 2k60A10 GLN 149 HA -0.04 0.19 0.65 -0.75 4.36 4.41 2k60A10 GLN 149 HB2 -0.02 0.07 0.17 -0.04 2.15 2.33 2k60A10 GLN 149 HB3 0.02 0.03 0.04 -0.04 2.02 2.07 2k60A10 GLN 149 HG2 0.05 -0.13 -0.04 -0.04 2.40 2.24 2k60A10 GLN 149 HG3 -0.00 0.12 -0.02 -0.04 2.39 2.45 2k60A10 GLN 149 HE21 0.23 -0.03 -0.16 -0.04 6.97 6.98 2k60A10 GLN 149 HE22 0.22 0.05 -0.13 -0.04 7.69 7.79 2k60A10 TYR 150 H 0.30 0.18 -0.71 -0.55 8.29 7.52 2k60A10 TYR 150 HA 0.15 0.07 0.14 -0.75 4.56 4.15 2k60A10 TYR 150 HB2 0.18 -0.02 0.01 -0.04 3.06 3.19 2k60A10 TYR 150 HB3 0.10 0.16 0.08 -0.04 2.98 3.28 2k60A10 TYR 150 HD2 0.15 -0.04 -0.11 -0.04 7.15 7.11 2k60A10 TYR 150 HE2 0.09 0.03 -0.00 -0.04 6.85 6.93 2k60A10 GLU 151 H -0.83 0.19 -0.26 -0.55 8.60 7.15 2k60A10 GLU 151 HA -0.07 0.06 0.30 -0.75 4.29 3.82 2k60A10 GLU 151 HB2 -0.51 0.03 0.08 -0.04 2.09 1.65 2k60A10 GLU 151 HB3 -0.33 -0.00 0.08 -0.04 1.99 1.70 2k60A10 GLU 151 HG2 -0.31 0.02 -0.16 -0.04 2.34 1.85 2k60A10 GLU 151 HG3 -0.09 -0.00 0.02 -0.04 2.34 2.22 2k60A10 GLU 152 H -0.21 0.11 -0.18 -0.55 8.60 7.78 2k60A10 GLU 152 HA -0.18 0.06 0.34 -0.75 4.29 3.76 2k60A10 GLU 152 HB2 -0.08 0.13 0.21 -0.04 2.09 2.31 2k60A10 GLU 152 HB3 -0.07 0.04 0.08 -0.04 1.99 2.00 2k60A10 GLU 152 HG2 -0.11 0.00 0.04 -0.04 2.34 2.23 2k60A10 GLU 152 HG3 -0.13 -0.08 0.07 -0.04 2.34 2.16 2k60A10 THR 153 H -0.01 0.56 -0.11 -0.55 8.28 8.17 2k60A10 THR 153 HA 0.02 0.08 0.22 -0.75 4.39 3.95 2k60A10 THR 153 HB 0.08 0.02 -0.01 -0.04 4.32 4.37 2k60A10 THR 153 HG23 0.17 0.02 -0.11 -0.04 1.22 1.27 2k60A10 PHE 154 H 0.17 0.77 -0.05 -0.55 8.34 8.67 2k60A10 PHE 154 HA 0.07 -0.10 0.50 -0.75 4.62 4.33 2k60A10 PHE 154 HB2 0.08 -0.09 0.13 -0.04 3.15 3.23 2k60A10 PHE 154 HB3 0.11 0.06 0.13 -0.04 3.06 3.32 2k60A10 PHE 154 HD2 0.11 0.03 -0.26 -0.04 7.28 7.12 2k60A10 PHE 154 HE2 0.08 -0.04 -0.06 -0.04 7.38 7.32 2k60A10 PHE 154 HZ 0.06 -0.02 -0.02 -0.04 7.32 7.30 2k60A10 ARG 155 H -0.55 0.56 -0.14 -0.55 8.46 7.78 2k60A10 ARG 155 HA -0.15 0.05 0.54 -0.75 4.34 4.03 2k60A10 ARG 155 HB2 -0.20 -0.05 0.10 -0.04 1.90 1.71 2k60A10 ARG 155 HB3 -0.63 -0.06 0.11 -0.04 1.80 1.18 2k60A10 ARG 155 HG2 -0.30 0.24 0.25 -0.04 1.67 1.83 2k60A10 ARG 155 HG3 -0.16 -0.02 -0.08 -0.04 1.67 1.36 2k60A10 ARG 155 HD2 -0.34 -0.03 -0.12 -0.04 3.22 2.69 2k60A10 ARG 155 HD3 -0.18 -0.08 -0.08 -0.04 3.22 2.84 2k60A10 LYS 156 H -0.08 0.38 -0.23 -0.55 8.42 7.94 2k60A10 LYS 156 HA -0.02 0.03 0.54 -0.75 4.32 4.11 2k60A10 LYS 156 HB2 -0.00 0.02 0.18 -0.04 1.87 2.02 2k60A10 LYS 156 HB3 0.00 -0.04 -0.01 -0.04 1.79 1.70 2k60A10 LYS 156 HG2 -0.06 0.27 0.07 -0.04 1.46 1.70 2k60A10 LYS 156 HG3 -0.03 -0.09 -0.03 -0.04 1.46 1.27 2k60A10 LYS 156 HD2 -0.04 0.03 -0.05 -0.04 1.69 1.58 2k60A10 LYS 156 HD3 -0.04 -0.06 0.00 -0.04 1.68 1.53 2k60A10 LYS 156 HE2 -0.01 -0.06 0.02 -0.04 2.99 2.90 2k60A10 LYS 156 HE3 -0.01 0.06 0.06 -0.04 2.99 3.06 2k60A10 LEU 157 H 0.05 0.66 0.11 -0.55 8.37 8.65 2k60A10 LEU 157 HA 0.06 0.22 0.91 -0.75 4.35 4.78 2k60A10 LEU 157 HB2 0.07 -0.01 0.02 -0.04 1.64 1.68 2k60A10 LEU 157 HB3 0.05 0.00 -0.12 -0.04 1.64 1.53 2k60A10 LEU 157 HG 0.08 0.26 0.09 -0.04 1.64 2.03 2k60A10 LEU 157 HD13 0.11 -0.05 -0.36 -0.04 0.93 0.58 2k60A10 LEU 157 HD23 0.07 -0.03 -0.06 -0.04 0.89 0.83 2k60A10 GLN 158 H 0.11 0.28 -0.00 -0.55 8.47 8.32 2k60A10 GLN 158 HA 0.20 0.01 0.51 -0.75 4.36 4.33 2k60A10 GLN 158 HB2 0.11 0.13 0.03 -0.04 2.15 2.38 2k60A10 GLN 158 HB3 0.12 -0.12 0.10 -0.04 2.02 2.08 2k60A10 GLN 158 HG2 0.15 -0.03 0.05 -0.04 2.40 2.54 2k60A10 GLN 158 HG3 0.09 0.09 -0.20 -0.04 2.39 2.34 2k60A10 GLN 158 HE21 0.09 0.01 0.00 -0.04 6.97 7.03 2k60A10 GLN 158 HE22 0.06 -0.05 -0.00 -0.04 7.69 7.66 2k60A10 LEU 159 H 0.19 0.03 0.08 -0.55 8.37 8.13 2k60A10 LEU 159 HA 0.15 0.26 0.84 -0.75 4.35 4.84 2k60A10 LEU 159 HB2 0.13 -0.01 -0.02 -0.04 1.64 1.69 2k60A10 LEU 159 HB3 0.13 0.09 -0.13 -0.04 1.64 1.69 2k60A10 LEU 159 HG 0.15 -0.04 -0.20 -0.04 1.64 1.50 2k60A10 LEU 159 HD13 0.14 0.02 -0.17 -0.04 0.93 0.87 2k60A10 LEU 159 HD23 0.21 -0.01 -0.13 -0.04 0.89 0.91 2k60A10 SER 160 H 0.17 0.16 0.20 -0.55 8.46 8.44 2k60A10 SER 160 HA 0.14 0.16 0.23 -0.75 4.49 4.26 2k60A10 SER 160 HB2 0.10 0.20 0.24 -0.04 3.95 4.45 2k60A10 SER 160 HB3 0.11 0.07 -0.24 -0.04 3.93 3.83 2k60A10 GLY 161 H 0.18 0.73 0.26 -0.55 8.43 9.05 2k60A10 GLY 161 HA2 0.36 0.03 0.37 -0.51 4.01 4.26 2k60A10 GLY 161 HA3 0.27 0.32 0.39 -0.51 4.01 4.49 2k60A10 HIS 162 H 0.42 0.10 -0.24 -0.55 8.41 8.14 2k60A10 HIS 162 HA 0.91 0.17 0.71 -0.75 4.63 5.66 2k60A10 HIS 162 HB2 0.69 0.05 0.07 -0.04 3.26 4.03 2k60A10 HIS 162 HB3 0.32 -0.01 0.06 -0.04 3.20 3.53 2k60A10 HIS 162 HD2 0.59 -0.02 0.05 -0.04 6.97 7.55 2k60A10 HIS 162 HE1 0.12 0.10 -0.06 -0.04 7.75 7.88 2k60A10 ALA 163 H 0.26 -0.01 -0.20 -0.55 8.40 7.91 2k60A10 ALA 163 HA -0.05 0.15 0.41 -0.75 4.34 4.09 2k60A10 ALA 163 HB3 0.12 0.04 0.11 -0.04 1.41 1.64 2k60A10 MET 164 H 0.20 0.34 -0.34 -0.55 8.47 8.12 2k60A10 MET 164 HA 0.10 -0.01 0.27 -0.75 4.52 4.13 2k60A10 MET 164 HB2 0.28 0.27 0.06 -0.04 2.15 2.71 2k60A10 MET 164 HB3 0.17 0.01 -0.04 -0.04 2.03 2.12 2k60A10 MET 164 HG2 0.24 0.07 -0.10 -0.04 2.63 2.81 2k60A10 MET 164 HG3 0.35 -0.00 -0.05 -0.04 2.56 2.81 2k60A10 MET 164 HE3 0.36 -0.01 -0.10 -0.04 2.10 2.31 2k60A10 PRO 165 HA -0.16 0.09 0.45 -0.51 4.44 4.30 2k60A10 PRO 165 HB2 -0.43 -0.04 -0.14 -0.04 2.28 1.63 2k60A10 PRO 165 HB3 -0.45 0.03 0.02 -0.04 2.02 1.57 2k60A10 PRO 165 HG2 -0.52 0.09 0.09 -0.04 2.03 1.64 2k60A10 PRO 165 HG3 -1.28 0.01 0.05 -0.04 2.03 0.77 2k60A10 PRO 165 HD2 0.04 0.06 -0.40 -0.04 3.68 3.35 2k60A10 PRO 165 HD3 -0.00 0.16 0.07 -0.04 3.65 3.84 2k60A10 ARG 166 H -0.22 0.48 -0.25 -0.55 8.46 7.92 2k60A10 ARG 166 HA -0.17 -0.02 0.26 -0.75 4.34 3.66 2k60A10 ARG 166 HB2 -0.14 -0.01 0.01 -0.04 1.90 1.72 2k60A10 ARG 166 HB3 -0.39 0.08 0.05 -0.04 1.80 1.50 2k60A10 ARG 166 HG2 -0.09 -0.06 -0.09 -0.04 1.67 1.38 2k60A10 ARG 166 HG3 -0.06 0.09 -0.03 -0.04 1.67 1.63 2k60A10 ARG 166 HD2 0.02 0.01 -0.15 -0.04 3.22 3.05 2k60A10 ARG 166 HD3 -0.03 -0.00 -0.47 -0.04 3.22 2.68 2k60A10 LEU 167 H -0.05 0.62 -0.40 -0.55 8.37 7.99 2k60A10 LEU 167 HA -0.04 0.12 0.71 -0.75 4.35 4.38 2k60A10 LEU 167 HB2 -0.03 -0.10 0.00 -0.04 1.64 1.47 2k60A10 LEU 167 HB3 0.01 -0.04 -0.07 -0.04 1.64 1.50 2k60A10 LEU 167 HG 0.02 0.28 0.04 -0.04 1.64 1.93 2k60A10 LEU 167 HD13 0.00 -0.02 -0.27 -0.04 0.93 0.60 2k60A10 LEU 167 HD23 0.08 -0.07 -0.22 -0.04 0.89 0.64 2k60A10 ALA 168 H -0.08 0.30 -0.32 -0.55 8.40 7.75 2k60A10 ALA 168 HA -0.06 -0.00 0.21 -0.75 4.34 3.74 2k60A10 ALA 168 HB3 -0.07 0.02 0.05 -0.04 1.41 1.37 2k60A10 VAL 169 H -0.09 0.18 -0.66 -0.55 8.24 7.12 2k60A10 VAL 169 HA -0.08 0.14 0.99 -0.75 4.13 4.42 2k60A10 VAL 169 HB -0.11 -0.03 -0.08 -0.04 2.12 1.86 2k60A10 VAL 169 HG13 -0.09 0.00 0.00 -0.04 0.97 0.84 2k60A10 VAL 169 HG23 -0.08 -0.01 -0.13 -0.04 0.95 0.69 2k60A10 THR 170 H -0.07 0.17 0.15 -0.55 8.28 7.99 2k60A10 THR 170 HA -0.05 0.03 0.30 -0.75 4.39 3.92 2k60A10 THR 170 HB -0.03 -0.29 0.22 -0.04 4.32 4.19 2k60A10 THR 170 HG23 -0.06 0.03 -0.03 -0.04 1.22 1.12 2k60A10 ASN 171 H -0.01 0.03 0.20 -0.55 8.53 8.20 2k60A10 ASN 171 HA -0.07 0.37 1.00 -0.75 4.76 5.30 2k60A10 ASN 171 HB2 0.24 -0.03 0.09 -0.04 2.88 3.13 2k60A10 ASN 171 HB3 0.04 0.06 0.11 -0.04 2.79 2.96 2k60A10 ASN 171 HD21 0.12 0.03 0.02 -0.04 7.03 7.16 2k60A10 ASN 171 HD22 0.05 -0.00 0.03 -0.04 7.74 7.77 2k60A10 THR 172 H 0.01 0.01 0.16 -0.55 8.28 7.91 2k60A10 THR 172 HA 0.04 0.08 0.25 -0.75 4.39 4.00 2k60A10 THR 172 HB 0.01 0.09 -0.00 -0.04 4.32 4.37 2k60A10 THR 172 HG23 0.01 0.00 0.06 -0.04 1.22 1.25 2k60A10 THR 173 H -0.01 0.09 -0.24 -0.55 8.28 7.58 2k60A10 THR 173 HA 0.00 0.01 0.31 -0.75 4.39 3.97 2k60A10 THR 173 HB -0.03 0.13 0.03 -0.04 4.32 4.42 2k60A10 THR 173 HG23 -0.02 -0.01 0.05 -0.04 1.22 1.19 2k60A10 MET 174 H 0.01 0.14 -0.35 -0.55 8.47 7.72 2k60A10 MET 174 HA 0.04 0.13 0.48 -0.75 4.52 4.42 2k60A10 MET 174 HB2 -0.02 0.05 0.04 -0.04 2.15 2.18 2k60A10 MET 174 HB3 -0.02 0.01 0.07 -0.04 2.03 2.05 2k60A10 MET 174 HG2 0.15 -0.05 -0.36 -0.04 2.63 2.34 2k60A10 MET 174 HG3 0.07 -0.01 -0.08 -0.04 2.56 2.50 2k60A10 MET 174 HE3 0.13 -0.03 -0.14 -0.04 2.10 2.02 2k60A10 THR 175 H 0.14 0.67 0.01 -0.55 8.28 8.54 2k60A10 THR 175 HA 0.18 -0.09 0.05 -0.75 4.39 3.78 2k60A10 THR 175 HB 0.26 -0.01 0.02 -0.04 4.32 4.55 2k60A10 THR 175 HG23 0.07 0.09 -0.19 -0.04 1.22 1.15 2k60A10 GLY 176 H 0.05 0.29 -0.46 -0.55 8.43 7.77 2k60A10 GLY 176 HA2 0.02 0.07 0.25 -0.51 4.01 3.84 2k60A10 GLY 176 HA3 0.03 0.02 0.44 -0.51 4.01 3.99 2k60A10 THR 177 H 0.01 0.16 0.18 -0.55 8.28 8.08 2k60A10 THR 177 HA -0.00 0.08 0.47 -0.75 4.39 4.18 2k60A10 THR 177 HB -0.01 -0.07 0.19 -0.04 4.32 4.39 2k60A10 THR 177 HG23 -0.01 -0.00 -0.06 -0.04 1.22 1.10 2k60A10 VAL 178 H -0.02 0.21 -0.06 -0.55 8.24 7.82 2k60A10 VAL 178 HA -0.04 0.03 0.40 -0.75 4.13 3.76 2k60A10 VAL 178 HB -0.02 0.16 -0.19 -0.04 2.12 2.03 2k60A10 VAL 178 HG13 -0.03 -0.02 -0.06 -0.04 0.97 0.83 2k60A10 VAL 178 HG23 -0.05 -0.01 -0.23 -0.04 0.95 0.63 2k60A10 LEU 179 H -0.13 0.12 -0.01 -0.55 8.37 7.82 2k60A10 LEU 179 HA -0.07 0.20 0.93 -0.75 4.35 4.65 2k60A10 LEU 179 HB2 -0.07 0.04 0.06 -0.04 1.64 1.63 2k60A10 LEU 179 HB3 -0.45 -0.01 -0.05 -0.04 1.64 1.08 2k60A10 LEU 179 HG 0.05 -0.09 -0.04 -0.04 1.64 1.52 2k60A10 LEU 179 HD13 0.02 0.06 -0.07 -0.04 0.93 0.89 2k60A10 LEU 179 HD23 0.23 0.02 -0.23 -0.04 0.89 0.88 2k60A10 LYS 180 H -0.41 0.19 0.05 -0.55 8.42 7.70 2k60A10 LYS 180 HA -0.12 0.13 0.63 -0.75 4.32 4.21 2k60A10 LYS 180 HB2 -0.17 0.10 -0.13 -0.04 1.87 1.63 2k60A10 LYS 180 HB3 -0.59 -0.01 0.00 -0.04 1.79 1.15 2k60A10 LYS 180 HG2 0.06 0.05 -0.09 -0.04 1.46 1.44 2k60A10 LYS 180 HG3 -0.02 -0.10 -0.19 -0.04 1.46 1.12 2k60A10 LYS 180 HD2 -0.03 -0.11 0.10 -0.04 1.69 1.62 2k60A10 LYS 180 HD3 0.00 0.09 0.03 -0.04 1.68 1.76 2k60A10 LYS 180 HE2 0.01 -0.16 0.03 -0.04 2.99 2.82 2k60A10 LYS 180 HE3 0.01 0.05 0.03 -0.04 2.99 3.04 2k60A10 MET 181 H -0.06 0.19 0.04 -0.55 8.47 8.10 2k60A10 MET 181 HA -0.04 0.11 0.32 -0.75 4.52 4.16 2k60A10 MET 181 HB2 -0.02 -0.03 0.11 -0.04 2.15 2.17 2k60A10 MET 181 HB3 -0.01 0.03 -0.00 -0.04 2.03 2.00 2k60A10 MET 181 HG2 -0.02 0.04 0.01 -0.04 2.63 2.61 2k60A10 MET 181 HG3 -0.03 0.04 -0.01 -0.04 2.56 2.52 2k60A10 MET 181 HE3 -0.03 0.02 -0.07 -0.04 2.10 1.98 2k60A10 THR 182 H -0.01 0.09 -0.10 -0.55 8.28 7.71 2k60A10 THR 182 HA 0.01 0.11 0.64 -0.75 4.39 4.39 2k60A10 THR 182 HB 0.03 -0.22 0.06 -0.04 4.32 4.15 2k60A10 THR 182 HG23 0.01 0.04 0.04 -0.04 1.22 1.27 2k60A10 ASP 183 H 0.02 0.28 0.28 -0.55 8.40 8.43 2k60A10 ASP 183 HA 0.07 0.13 0.34 -0.75 4.63 4.42 2k60A10 ASP 183 HB2 0.03 -0.05 0.15 -0.04 2.71 2.80 2k60A10 ASP 183 HB3 0.03 -0.00 0.06 -0.04 2.70 2.75 2k60A10 ARG 184 H 0.03 0.08 -0.11 -0.55 8.46 7.91 2k60A10 ARG 184 HA 0.02 0.12 0.33 -0.75 4.34 4.06 2k60A10 ARG 184 HB2 0.02 0.04 0.09 -0.04 1.90 2.00 2k60A10 ARG 184 HB3 0.03 -0.07 0.08 -0.04 1.80 1.79 2k60A10 ARG 184 HG2 0.02 0.02 -0.27 -0.04 1.67 1.40 2k60A10 ARG 184 HG3 0.01 0.04 -0.00 -0.04 1.67 1.68 2k60A10 ARG 184 HD2 0.02 -0.03 -0.07 -0.04 3.22 3.10 2k60A10 ARG 184 HD3 0.02 0.06 -0.06 -0.04 3.22 3.20 2k60A10 SER 185 H 0.05 -0.01 -0.27 -0.55 8.46 7.68 2k60A10 SER 185 HA 0.05 0.09 0.26 -0.75 4.49 4.14 2k60A10 SER 185 HB2 0.04 -0.03 0.09 -0.04 3.95 4.01 2k60A10 SER 185 HB3 0.05 0.03 0.10 -0.04 3.93 4.08 2k60A10 HIS 186 H 0.14 0.54 -0.29 -0.55 8.41 8.26 2k60A10 HIS 186 HA 0.02 0.02 0.26 -0.75 4.63 4.18 2k60A10 HIS 186 HB2 0.01 0.09 0.02 -0.04 3.26 3.35 2k60A10 HIS 186 HB3 0.01 0.05 0.13 -0.04 3.20 3.35 2k60A10 HIS 186 HD2 0.03 -0.01 -0.03 -0.04 6.97 6.92 2k60A10 HIS 186 HE1 0.02 0.02 -0.10 -0.04 7.75 7.64 2k60A10 ARG 187 H 0.06 0.52 -0.06 -0.55 8.46 8.43 2k60A10 ARG 187 HA -0.13 0.15 0.27 -0.75 4.34 3.88 2k60A10 ARG 187 HB2 -0.04 0.03 -0.11 -0.04 1.90 1.73 2k60A10 ARG 187 HB3 -0.03 -0.15 -0.25 -0.04 1.80 1.33 2k60A10 ARG 187 HG2 0.02 0.24 0.18 -0.04 1.67 2.07 2k60A10 ARG 187 HG3 -0.01 0.09 0.01 -0.04 1.67 1.72 2k60A10 ARG 187 HD2 -0.01 -0.15 -0.03 -0.04 3.22 2.99 2k60A10 ARG 187 HD3 -0.00 -0.06 -0.04 -0.04 3.22 3.08 2k60A10 GLN 188 H 0.01 0.59 -0.23 -0.55 8.47 8.29 2k60A10 GLN 188 HA -0.03 0.06 0.39 -0.75 4.36 4.03 2k60A10 GLN 188 HB2 0.02 0.00 0.09 -0.04 2.15 2.23 2k60A10 GLN 188 HB3 0.01 -0.00 0.01 -0.04 2.02 2.00 2k60A10 GLN 188 HG2 0.01 0.14 0.05 -0.04 2.40 2.55 2k60A10 GLN 188 HG3 0.01 -0.08 -0.05 -0.04 2.39 2.23 2k60A10 GLN 188 HE21 -0.01 -0.05 -0.02 -0.04 6.97 6.84 2k60A10 GLN 188 HE22 -0.03 0.01 -0.02 -0.04 7.69 7.61 2k60A10 LYS 189 H 0.03 0.64 0.00 -0.55 8.42 8.53 2k60A10 LYS 189 HA 0.05 0.05 0.42 -0.75 4.32 4.08 2k60A10 LYS 189 HB2 0.06 -0.03 0.17 -0.04 1.87 2.03 2k60A10 LYS 189 HB3 0.06 0.09 0.13 -0.04 1.79 2.03 2k60A10 LYS 189 HG2 0.06 0.19 0.18 -0.04 1.46 1.85 2k60A10 LYS 189 HG3 0.07 -0.06 0.03 -0.04 1.46 1.45 2k60A10 LYS 189 HD2 0.07 -0.04 0.00 -0.04 1.69 1.68 2k60A10 LYS 189 HD3 0.05 -0.10 0.02 -0.04 1.68 1.61 2k60A10 LYS 189 HE2 0.05 0.08 0.07 -0.04 2.99 3.15 2k60A10 LYS 189 HE3 0.06 0.04 0.10 -0.04 2.99 3.15 2k60A10 LEU 190 H -0.04 0.57 -0.02 -0.55 8.37 8.33 2k60A10 LEU 190 HA 0.01 -0.04 0.39 -0.75 4.35 3.96 2k60A10 LEU 190 HB2 -0.20 0.19 0.11 -0.04 1.64 1.70 2k60A10 LEU 190 HB3 -0.09 0.04 -0.09 -0.04 1.64 1.46 2k60A10 LEU 190 HG -0.20 -0.02 -0.04 -0.04 1.64 1.34 2k60A10 LEU 190 HD13 0.05 -0.03 -0.04 -0.04 0.93 0.87 2k60A10 LEU 190 HD23 -0.03 -0.02 0.01 -0.04 0.89 0.81 2k60A10 GLN 191 H -0.06 0.66 -0.07 -0.55 8.47 8.46 2k60A10 GLN 191 HA -0.04 -0.07 0.46 -0.75 4.36 3.96 2k60A10 GLN 191 HB2 -0.06 -0.03 0.21 -0.04 2.15 2.22 2k60A10 GLN 191 HB3 -0.06 0.09 0.23 -0.04 2.02 2.23 2k60A10 GLN 191 HG2 -0.05 0.13 0.20 -0.04 2.40 2.64 2k60A10 GLN 191 HG3 -0.07 0.08 -0.13 -0.04 2.39 2.23 2k60A10 GLN 191 HE21 -0.04 -0.12 0.01 -0.04 6.97 6.78 2k60A10 GLN 191 HE22 -0.07 0.15 0.05 -0.04 7.69 7.78 2k60A10 LEU 192 H -0.03 0.50 -0.23 -0.55 8.37 8.07 2k60A10 LEU 192 HA -0.07 0.08 0.49 -0.75 4.35 4.10 2k60A10 LEU 192 HB2 -0.01 0.39 0.31 -0.04 1.64 2.29 2k60A10 LEU 192 HB3 0.04 -0.03 0.12 -0.04 1.64 1.73 2k60A10 LEU 192 HG 0.09 -0.08 0.01 -0.04 1.64 1.61 2k60A10 LEU 192 HD13 -0.02 -0.04 0.03 -0.04 0.93 0.86 2k60A10 LEU 192 HD23 -0.35 0.05 0.04 -0.04 0.89 0.59 2k60A10 LYS 193 H 0.02 0.58 -0.13 -0.55 8.42 8.33 2k60A10 LYS 193 HA 0.00 0.05 0.36 -0.75 4.32 3.98 2k60A10 LYS 193 HB2 0.05 0.13 0.16 -0.04 1.87 2.17 2k60A10 LYS 193 HB3 0.07 -0.09 -0.05 -0.04 1.79 1.68 2k60A10 LYS 193 HG2 0.06 -0.11 -0.20 -0.04 1.46 1.17 2k60A10 LYS 193 HG3 -0.09 -0.04 -0.06 -0.04 1.46 1.23 2k60A10 LYS 193 HD2 0.04 -0.12 -0.09 -0.04 1.69 1.48 2k60A10 LYS 193 HD3 0.06 0.14 0.02 -0.04 1.68 1.86 2k60A10 LYS 193 HE2 0.11 0.38 -0.30 -0.04 2.99 3.14 2k60A10 LYS 193 HE3 0.10 -0.09 -0.07 -0.04 2.99 2.89 2k60A10 ALA 194 H 0.04 0.83 0.06 -0.55 8.40 8.79 2k60A10 ALA 194 HA 0.13 -0.06 0.24 -0.75 4.34 3.89 2k60A10 ALA 194 HB3 0.03 0.03 0.06 -0.04 1.41 1.48 2k60A10 LEU 195 H -0.01 0.72 -0.09 -0.55 8.37 8.44 2k60A10 LEU 195 HA -0.04 -0.04 0.36 -0.75 4.35 3.87 2k60A10 LEU 195 HB2 -0.06 -0.03 0.13 -0.04 1.64 1.64 2k60A10 LEU 195 HB3 -0.05 0.27 0.14 -0.04 1.64 1.96 2k60A10 LEU 195 HG -0.08 -0.04 -0.23 -0.04 1.64 1.26 2k60A10 LEU 195 HD13 -0.10 -0.04 -0.10 -0.04 0.93 0.65 2k60A10 LEU 195 HD23 -0.09 0.01 -0.11 -0.04 0.89 0.66 2k60A10 ASP 196 H 0.01 0.65 -0.07 -0.55 8.40 8.43 2k60A10 ASP 196 HA 0.02 -0.02 0.35 -0.75 4.63 4.22 2k60A10 ASP 196 HB2 -0.02 0.12 0.23 -0.04 2.71 3.00 2k60A10 ASP 196 HB3 0.03 0.15 0.23 -0.04 2.70 3.06 2k60A10 THR 197 H 0.11 0.51 -0.46 -0.55 8.28 7.89 2k60A10 THR 197 HA 0.26 -0.11 0.47 -0.75 4.39 4.25 2k60A10 THR 197 HB 0.24 0.11 0.13 -0.04 4.32 4.76 2k60A10 THR 197 HG23 0.44 -0.05 -0.10 -0.04 1.22 1.47 2k60A10 VAL 198 H 0.09 0.81 0.05 -0.55 8.24 8.64 2k60A10 VAL 198 HA 0.17 -0.01 0.36 -0.75 4.13 3.90 2k60A10 VAL 198 HB -0.14 -0.09 0.04 -0.04 2.12 1.89 2k60A10 VAL 198 HG13 -0.01 0.04 -0.06 -0.04 0.97 0.90 2k60A10 VAL 198 HG23 -0.09 0.03 -0.05 -0.04 0.95 0.80 2k60A10 LEU 199 H 0.05 0.42 -0.46 -0.55 8.37 7.84 2k60A10 LEU 199 HA -0.09 0.01 0.60 -0.75 4.35 4.12 2k60A10 LEU 199 HB2 0.01 0.10 0.01 -0.04 1.64 1.73 2k60A10 LEU 199 HB3 -0.08 -0.09 -0.09 -0.04 1.64 1.34 2k60A10 LEU 199 HG -0.08 0.14 -0.06 -0.04 1.64 1.60 2k60A10 LEU 199 HD13 -0.13 -0.03 -0.16 -0.04 0.93 0.57 2k60A10 LEU 199 HD23 -0.21 -0.03 -0.12 -0.04 0.89 0.49 2k60A10 PHE 200 H 0.21 0.32 -0.19 -0.55 8.34 8.12 2k60A10 PHE 200 HA 0.11 0.15 0.89 -0.75 4.62 5.01 2k60A10 PHE 200 HB2 0.05 -0.09 -0.05 -0.04 3.15 3.02 2k60A10 PHE 200 HB3 0.06 0.18 0.21 -0.04 3.06 3.46 2k60A10 PHE 200 HD2 0.09 -0.00 -0.05 -0.04 7.28 7.27 2k60A10 PHE 200 HE2 0.09 -0.03 -0.07 -0.04 7.38 7.32 2k60A10 PHE 200 HZ 0.08 -0.07 -0.05 -0.04 7.32 7.23 2k60A10 GLY 201 H 0.39 0.37 0.21 -0.55 8.43 8.86 2k60A10 GLY 201 HA2 0.30 -0.04 0.23 -0.51 4.01 4.00 2k60A10 GLY 201 HA3 0.10 0.12 0.28 -0.51 4.01 4.01