============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 27 0.840 61.591 80.808 -22.729 -99.200 -91.000 HIS 91 0.900 54.731 77.060 -9.503 -99.200 -91.000 TYR 101 0.840 44.627 69.817 -3.177 -99.200 -91.000 PHE 102 1.000 52.452 71.527 0.799 -99.200 -91.000 PHE 115 1.000 50.300 79.786 -5.998 -99.200 -91.000 TYR 134 0.840 45.751 96.215 -14.781 -99.200 -91.000 PHE 163 1.000 36.310 72.195 -7.663 -99.200 -91.000 PHE 175 1.000 47.319 76.210 -16.138 -99.200 -91.000 TYR 182 0.840 37.674 79.100 -16.118 -99.200 -91.000 TYR 192 0.840 31.398 91.554 -14.064 -99.200 -91.000 TYR 193 0.840 35.420 87.197 -6.858 -99.200 -91.000 HIS 201 0.900 38.505 77.483 1.741 -99.200 -91.000 PHE 207 1.000 45.339 67.492 6.310 -99.200 -91.000 TYR 222 0.840 49.300 56.265 -17.334 -99.200 -91.000 TYR 224 0.840 51.722 50.931 -18.795 -99.200 -91.000 TYR 230 0.840 59.412 45.316 -14.629 -99.200 -91.000 TYR 232 0.840 52.083 48.477 -8.567 -99.200 -91.000 HIS 238 0.900 64.602 52.020 -4.355 -99.200 -91.000 TYR 245 0.840 46.279 51.647 -10.878 -99.200 -91.000 TYR 321 0.840 42.263 63.117 7.194 -99.200 -91.000 PHE 322 1.000 42.866 61.184 -0.926 -99.200 -91.000 HIS 323 0.900 34.639 59.590 -0.055 -99.200 -91.000 TYR 325 0.840 40.698 68.513 4.469 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zcfG1 ASN 3 HA -0.00 -0.04 0.12 -0.75 4.76 4.09 1zcfG1 ASN 3 HB2 -0.00 -0.01 0.14 -0.04 2.88 2.97 1zcfG1 ASN 3 HB3 -0.00 -0.05 0.07 -0.04 2.79 2.76 1zcfG1 ASN 3 HD21 -0.00 -0.02 -0.00 -0.04 7.03 6.96 1zcfG1 ASN 3 HD22 -0.00 0.00 0.06 -0.04 7.74 7.76 1zcfG1 LEU 4 H -0.00 0.18 0.09 -0.55 8.37 8.09 1zcfG1 LEU 4 HA -0.01 0.19 0.92 -0.75 4.35 4.70 1zcfG1 LEU 4 HB2 -0.01 -0.05 -0.10 -0.04 1.64 1.44 1zcfG1 LEU 4 HB3 -0.01 0.12 0.08 -0.04 1.64 1.79 1zcfG1 LEU 4 HG -0.00 -0.05 -0.14 -0.04 1.64 1.40 1zcfG1 LEU 4 HD13 -0.00 0.03 -0.13 -0.04 0.93 0.78 1zcfG1 LEU 4 HD23 -0.00 0.03 -0.38 -0.04 0.89 0.49 1zcfG1 PRO 5 HA -0.01 0.02 0.41 -0.51 4.44 4.36 1zcfG1 PRO 5 HB2 -0.02 -0.03 0.01 -0.04 2.28 2.20 1zcfG1 PRO 5 HB3 -0.01 0.07 0.04 -0.04 2.02 2.08 1zcfG1 PRO 5 HG2 -0.01 0.15 0.17 -0.04 2.03 2.29 1zcfG1 PRO 5 HG3 -0.01 0.00 0.09 -0.04 2.03 2.08 1zcfG1 PRO 5 HD2 -0.01 0.24 0.30 -0.04 3.68 4.16 1zcfG1 PRO 5 HD3 -0.01 0.13 0.27 -0.04 3.65 4.00 1zcfG1 ASN 6 H -0.01 0.19 0.14 -0.55 8.53 8.30 1zcfG1 ASN 6 HA -0.01 0.07 0.85 -0.75 4.76 4.92 1zcfG1 ASN 6 HB2 -0.01 0.13 0.21 -0.04 2.88 3.17 1zcfG1 ASN 6 HB3 -0.01 -0.06 0.03 -0.04 2.79 2.71 1zcfG1 ASN 6 HD21 -0.01 -0.05 0.02 -0.04 7.03 6.96 1zcfG1 ASN 6 HD22 -0.01 0.08 0.08 -0.04 7.74 7.85 1zcfG1 ILE 7 H -0.01 0.40 0.12 -0.55 8.25 8.21 1zcfG1 ILE 7 HA -0.01 0.29 1.04 -0.75 4.18 4.75 1zcfG1 ILE 7 HB -0.02 0.05 0.01 -0.04 1.89 1.89 1zcfG1 ILE 7 HG12 -0.02 -0.07 -0.24 -0.04 1.49 1.12 1zcfG1 ILE 7 HG13 -0.01 0.13 -0.33 -0.04 1.21 0.95 1zcfG1 ILE 7 HG23 -0.02 -0.02 -0.36 -0.04 0.93 0.49 1zcfG1 ILE 7 HD13 -0.02 -0.06 -0.54 -0.04 0.88 0.22 1zcfG1 VAL 8 H -0.01 0.53 0.30 -0.55 8.24 8.50 1zcfG1 VAL 8 HA -0.02 0.26 1.06 -0.75 4.13 4.67 1zcfG1 VAL 8 HB -0.02 -0.01 0.12 -0.04 2.12 2.16 1zcfG1 VAL 8 HG13 -0.02 0.02 -0.18 -0.04 0.97 0.75 1zcfG1 VAL 8 HG23 -0.01 0.00 -0.11 -0.04 0.95 0.79 1zcfG1 ILE 9 H -0.02 0.42 0.16 -0.55 8.25 8.26 1zcfG1 ILE 9 HA -0.04 0.28 0.99 -0.75 4.18 4.65 1zcfG1 ILE 9 HB -0.02 -0.14 0.02 -0.04 1.89 1.71 1zcfG1 ILE 9 HG12 -0.02 -0.03 -0.16 -0.04 1.49 1.24 1zcfG1 ILE 9 HG13 -0.02 0.05 -0.20 -0.04 1.21 0.99 1zcfG1 ILE 9 HG23 -0.03 -0.01 -0.24 -0.04 0.93 0.61 1zcfG1 ILE 9 HD13 -0.02 -0.07 -0.33 -0.04 0.88 0.42 1zcfG1 LEU 10 H -0.06 0.71 0.37 -0.55 8.37 8.84 1zcfG1 LEU 10 HA -0.03 0.24 0.96 -0.75 4.35 4.76 1zcfG1 LEU 10 HB2 -0.09 -0.05 0.10 -0.04 1.64 1.56 1zcfG1 LEU 10 HB3 -0.05 0.00 0.05 -0.04 1.64 1.61 1zcfG1 LEU 10 HG -0.05 0.05 -0.16 -0.04 1.64 1.45 1zcfG1 LEU 10 HD13 -0.05 0.00 -0.09 -0.04 0.93 0.75 1zcfG1 LEU 10 HD23 -0.03 0.02 -0.18 -0.04 0.89 0.67 1zcfG1 ALA 11 H -0.03 0.46 0.27 -0.55 8.40 8.56 1zcfG1 ALA 11 HA -0.03 0.14 1.18 -0.75 4.34 4.88 1zcfG1 ALA 11 HB3 -0.01 -0.01 -0.03 -0.04 1.41 1.32 1zcfG1 THR 12 H -0.01 0.23 0.08 -0.55 8.28 8.03 1zcfG1 THR 12 HA -0.01 0.27 0.91 -0.75 4.39 4.80 1zcfG1 THR 12 HB -0.00 -0.08 0.14 -0.04 4.32 4.34 1zcfG1 THR 12 HG23 0.03 0.01 -0.11 -0.04 1.22 1.11 1zcfG1 GLY 13 H -0.01 0.03 -0.20 -0.55 8.43 7.71 1zcfG1 GLY 13 HA2 0.00 0.11 0.42 -0.51 4.01 4.03 1zcfG1 GLY 13 HA3 -0.01 0.21 0.89 -0.51 4.01 4.59 1zcfG1 GLY 14 H -0.02 0.29 -0.19 -0.55 8.43 7.96 1zcfG1 GLY 14 HA2 0.01 -0.07 -0.02 -0.51 4.01 3.41 1zcfG1 GLY 14 HA3 0.02 0.07 0.46 -0.51 4.01 4.05 1zcfG1 THR 15 H 0.06 0.00 0.18 -0.55 8.28 7.97 1zcfG1 THR 15 HA 0.10 0.28 0.85 -0.75 4.39 4.87 1zcfG1 THR 15 HB 0.09 -0.16 0.13 -0.04 4.32 4.34 1zcfG1 THR 15 HG23 0.13 0.07 -0.19 -0.04 1.22 1.19 1zcfG1 ILE 16 H 0.05 -0.02 0.10 -0.55 8.25 7.83 1zcfG1 ILE 16 HA 0.03 0.08 0.28 -0.75 4.18 3.81 1zcfG1 ILE 16 HB 0.04 -0.02 -0.01 -0.04 1.89 1.87 1zcfG1 ILE 16 HG12 0.02 0.06 -0.17 -0.04 1.49 1.35 1zcfG1 ILE 16 HG13 0.02 -0.08 0.01 -0.04 1.21 1.11 1zcfG1 ILE 16 HG23 0.03 -0.00 -0.07 -0.04 0.93 0.85 1zcfG1 ILE 16 HD13 0.03 0.06 -0.17 -0.04 0.88 0.77 1zcfG1 ALA 17 H 0.04 -0.03 -1.17 -0.55 8.40 6.68 1zcfG1 ALA 17 HA 0.00 0.08 0.68 -0.75 4.34 4.35 1zcfG1 ALA 17 HB3 0.02 0.04 -0.10 -0.04 1.41 1.32 1zcfG1 GLY 18 H -0.02 0.09 -0.11 -0.55 8.43 7.84 1zcfG1 GLY 18 HA2 0.03 0.06 0.33 -0.51 4.01 3.92 1zcfG1 GLY 18 HA3 0.08 0.13 0.77 -0.51 4.01 4.48 1zcfG1 SER 19 H -0.02 0.15 0.15 -0.55 8.46 8.19 1zcfG1 SER 19 HA -0.13 -0.00 0.36 -0.75 4.49 3.96 1zcfG1 SER 19 HB2 -0.05 0.01 0.21 -0.04 3.95 4.07 1zcfG1 SER 19 HB3 -0.03 -0.02 0.16 -0.04 3.93 4.00 1zcfG1 ALA 20 H -0.10 0.16 0.16 -0.55 8.40 8.07 1zcfG1 ALA 20 HA -0.08 0.17 0.74 -0.75 4.34 4.42 1zcfG1 ALA 20 HB3 -0.18 -0.00 0.06 -0.04 1.41 1.24 1zcfG1 ALA 21 H 0.04 0.02 0.19 -0.55 8.40 8.10 1zcfG1 ALA 21 HA 0.02 0.18 0.90 -0.75 4.34 4.70 1zcfG1 ALA 21 HB3 0.04 -0.01 0.12 -0.04 1.41 1.53 1zcfG1 ALA 22 H 0.01 -0.02 0.13 -0.55 8.40 7.98 1zcfG1 ALA 22 HA -0.00 0.28 0.89 -0.75 4.34 4.76 1zcfG1 ALA 22 HB3 0.01 -0.05 0.11 -0.04 1.41 1.43 1zcfG1 ASN 23 H -0.00 0.05 0.19 -0.55 8.53 8.22 1zcfG1 ASN 23 HA -0.02 0.31 0.81 -0.75 4.76 5.11 1zcfG1 ASN 23 HB2 -0.01 0.05 0.05 -0.04 2.88 2.93 1zcfG1 ASN 23 HB3 -0.01 -0.08 0.18 -0.04 2.79 2.84 1zcfG1 ASN 23 HD21 -0.01 0.01 -0.05 -0.04 7.03 6.93 1zcfG1 ASN 23 HD22 -0.01 -0.02 -0.04 -0.04 7.74 7.64 1zcfG1 THR 24 H -0.00 0.05 0.17 -0.55 8.28 7.94 1zcfG1 THR 24 HA -0.00 0.17 0.63 -0.75 4.39 4.43 1zcfG1 THR 24 HB 0.00 0.06 0.16 -0.04 4.32 4.50 1zcfG1 THR 24 HG23 -0.00 0.00 0.04 -0.04 1.22 1.22 1zcfG1 GLN 25 H 0.00 -0.09 -0.53 -0.55 8.47 7.31 1zcfG1 GLN 25 HA 0.02 0.19 0.68 -0.75 4.36 4.50 1zcfG1 GLN 25 HB2 0.02 0.04 0.02 -0.04 2.15 2.19 1zcfG1 GLN 25 HB3 0.02 -0.15 0.02 -0.04 2.02 1.86 1zcfG1 GLN 25 HG2 0.06 0.03 -0.17 -0.04 2.40 2.28 1zcfG1 GLN 25 HG3 0.04 0.08 0.02 -0.04 2.39 2.48 1zcfG1 GLN 25 HE21 0.09 0.25 0.15 -0.04 6.97 7.42 1zcfG1 GLN 25 HE22 0.11 -0.32 0.11 -0.04 7.69 7.55 1zcfG1 THR 26 H 0.05 0.15 -0.00 -0.55 8.28 7.93 1zcfG1 THR 26 HA 0.13 0.14 0.62 -0.75 4.39 4.53 1zcfG1 THR 26 HB 0.10 0.06 0.14 -0.04 4.32 4.58 1zcfG1 THR 26 HG23 0.02 0.02 -0.30 -0.04 1.22 0.92 1zcfG1 THR 27 H 0.19 0.05 -0.08 -0.55 8.28 7.88 1zcfG1 THR 27 HA 0.03 0.25 0.81 -0.75 4.39 4.72 1zcfG1 THR 27 HB 0.04 -0.15 0.13 -0.04 4.32 4.30 1zcfG1 THR 27 HG23 -0.01 0.02 -0.08 -0.04 1.22 1.11 1zcfG1 GLY 28 H 0.07 0.06 0.13 -0.55 8.43 8.15 1zcfG1 GLY 28 HA2 -0.06 0.14 0.67 -0.51 4.01 4.26 1zcfG1 GLY 28 HA3 0.02 0.02 0.34 -0.51 4.01 3.89 1zcfG1 TYR 29 H -0.17 0.29 0.18 -0.55 8.29 8.04 1zcfG1 TYR 29 HA -0.00 -0.00 0.30 -0.75 4.56 4.11 1zcfG1 TYR 29 HB2 0.00 0.14 -0.06 -0.04 3.06 3.10 1zcfG1 TYR 29 HB3 0.00 0.06 0.05 -0.04 2.98 3.05 1zcfG1 TYR 29 HD2 0.00 -0.09 -0.62 -0.04 7.15 6.40 1zcfG1 TYR 29 HE2 0.00 -0.06 -0.16 -0.04 6.85 6.59 1zcfG1 LYS 30 H 0.13 0.14 0.05 -0.55 8.42 8.19 1zcfG1 LYS 30 HA -0.00 0.02 0.42 -0.75 4.32 4.01 1zcfG1 LYS 30 HB2 0.04 0.01 0.12 -0.04 1.87 2.00 1zcfG1 LYS 30 HB3 0.07 -0.04 0.15 -0.04 1.79 1.93 1zcfG1 LYS 30 HG2 0.02 0.03 -0.26 -0.04 1.46 1.22 1zcfG1 LYS 30 HG3 0.01 0.01 -0.02 -0.04 1.46 1.41 1zcfG1 LYS 30 HD2 0.02 0.00 -0.01 -0.04 1.69 1.66 1zcfG1 LYS 30 HD3 0.02 -0.03 -0.04 -0.04 1.68 1.59 1zcfG1 LYS 30 HE2 0.01 0.07 -0.09 -0.04 2.99 2.93 1zcfG1 LYS 30 HE3 0.00 -0.00 -0.03 -0.04 2.99 2.92 1zcfG1 ALA 31 H -0.07 0.12 0.27 -0.55 8.40 8.18 1zcfG1 ALA 31 HA 0.17 0.13 0.56 -0.75 4.34 4.45 1zcfG1 ALA 31 HB3 -0.09 -0.02 0.19 -0.04 1.41 1.45 1zcfG1 GLY 32 H 0.11 0.24 0.35 -0.55 8.43 8.59 1zcfG1 GLY 32 HA2 0.03 0.20 0.02 -0.51 4.01 3.76 1zcfG1 GLY 32 HA3 0.01 0.09 0.81 -0.51 4.01 4.42 1zcfG1 ALA 33 H 0.06 0.26 -0.00 -0.55 8.40 8.18 1zcfG1 ALA 33 HA 0.02 0.16 0.74 -0.75 4.34 4.50 1zcfG1 ALA 33 HB3 0.03 0.00 0.07 -0.04 1.41 1.48 1zcfG1 LEU 34 H 0.01 0.39 -0.16 -0.55 8.37 8.07 1zcfG1 LEU 34 HA 0.01 -0.02 0.43 -0.75 4.35 4.02 1zcfG1 LEU 34 HB2 0.01 0.05 -0.29 -0.04 1.64 1.37 1zcfG1 LEU 34 HB3 0.01 0.01 -0.10 -0.04 1.64 1.52 1zcfG1 LEU 34 HG 0.00 0.04 -0.16 -0.04 1.64 1.48 1zcfG1 LEU 34 HD13 -0.00 -0.01 0.04 -0.04 0.93 0.91 1zcfG1 LEU 34 HD23 -0.00 -0.03 0.02 -0.04 0.89 0.83 1zcfG1 GLY 35 H 0.00 0.09 0.05 -0.55 8.43 8.03 1zcfG1 GLY 35 HA2 0.00 0.11 0.29 -0.51 4.01 3.89 1zcfG1 GLY 35 HA3 0.00 -0.04 0.37 -0.51 4.01 3.83 1zcfG1 VAL 36 H -0.00 0.07 0.15 -0.55 8.24 7.90 1zcfG1 VAL 36 HA -0.00 0.28 0.81 -0.75 4.13 4.46 1zcfG1 VAL 36 HB -0.01 0.03 -0.01 -0.04 2.12 2.09 1zcfG1 VAL 36 HG13 -0.00 -0.02 0.10 -0.04 0.97 1.00 1zcfG1 VAL 36 HG23 -0.01 0.01 -0.14 -0.04 0.95 0.77 1zcfG1 GLU 37 H -0.00 0.09 0.11 -0.55 8.60 8.25 1zcfG1 GLU 37 HA -0.00 0.11 0.31 -0.75 4.29 3.96 1zcfG1 GLU 37 HB2 -0.00 0.03 0.14 -0.04 2.09 2.22 1zcfG1 GLU 37 HB3 -0.00 -0.07 0.07 -0.04 1.99 1.95 1zcfG1 GLU 37 HG2 -0.00 0.03 -0.01 -0.04 2.34 2.32 1zcfG1 GLU 37 HG3 0.00 0.03 -0.19 -0.04 2.34 2.14 1zcfG1 THR 38 H 0.00 -0.05 -0.52 -0.55 8.28 7.17 1zcfG1 THR 38 HA 0.00 0.12 0.31 -0.75 4.39 4.07 1zcfG1 THR 38 HB 0.00 0.08 -0.11 -0.04 4.32 4.25 1zcfG1 THR 38 HG23 -0.00 -0.01 -0.05 -0.04 1.22 1.12 1zcfG1 LEU 39 H 0.00 0.18 -0.17 -0.55 8.37 7.84 1zcfG1 LEU 39 HA 0.01 0.03 0.28 -0.75 4.35 3.91 1zcfG1 LEU 39 HB2 0.00 0.08 0.01 -0.04 1.64 1.70 1zcfG1 LEU 39 HB3 0.01 -0.00 -0.04 -0.04 1.64 1.57 1zcfG1 LEU 39 HG 0.00 -0.02 -0.04 -0.04 1.64 1.54 1zcfG1 LEU 39 HD13 0.01 -0.00 -0.10 -0.04 0.93 0.80 1zcfG1 LEU 39 HD23 0.01 -0.01 -0.05 -0.04 0.89 0.80 1zcfG1 ILE 40 H 0.00 0.28 -0.66 -0.55 8.25 7.33 1zcfG1 ILE 40 HA 0.01 0.06 0.36 -0.75 4.18 3.86 1zcfG1 ILE 40 HB 0.00 0.13 0.04 -0.04 1.89 2.02 1zcfG1 ILE 40 HG12 0.00 0.20 -0.15 -0.04 1.49 1.50 1zcfG1 ILE 40 HG13 -0.00 -0.06 -0.14 -0.04 1.21 0.96 1zcfG1 ILE 40 HG23 0.00 0.00 -0.16 -0.04 0.93 0.73 1zcfG1 ILE 40 HD13 -0.00 -0.02 -0.19 -0.04 0.88 0.63 1zcfG1 GLN 41 H 0.01 0.34 0.01 -0.55 8.47 8.28 1zcfG1 GLN 41 HA 0.01 0.02 0.34 -0.75 4.36 3.98 1zcfG1 GLN 41 HB2 0.00 0.04 0.04 -0.04 2.15 2.19 1zcfG1 GLN 41 HB3 0.00 -0.04 0.09 -0.04 2.02 2.04 1zcfG1 GLN 41 HG2 0.00 0.34 0.25 -0.04 2.40 2.95 1zcfG1 GLN 41 HG3 0.00 -0.11 0.01 -0.04 2.39 2.25 1zcfG1 GLN 41 HE21 0.00 0.00 -0.02 -0.04 6.97 6.91 1zcfG1 GLN 41 HE22 0.00 0.03 0.02 -0.04 7.69 7.70 1zcfG1 ALA 42 H 0.01 0.16 -0.72 -0.55 8.40 7.30 1zcfG1 ALA 42 HA 0.01 0.01 0.39 -0.75 4.34 3.99 1zcfG1 ALA 42 HB3 0.01 0.04 0.01 -0.04 1.41 1.42 1zcfG1 VAL 43 H 0.03 0.34 -0.19 -0.55 8.24 7.87 1zcfG1 VAL 43 HA 0.03 0.20 0.91 -0.75 4.13 4.52 1zcfG1 VAL 43 HB 0.07 0.03 0.20 -0.04 2.12 2.38 1zcfG1 VAL 43 HG13 0.13 -0.03 0.03 -0.04 0.97 1.06 1zcfG1 VAL 43 HG23 0.04 0.02 -0.05 -0.04 0.95 0.92 1zcfG1 PRO 44 HA 0.02 0.08 0.38 -0.51 4.44 4.42 1zcfG1 PRO 44 HB2 0.02 -0.00 -0.01 -0.04 2.28 2.24 1zcfG1 PRO 44 HB3 0.02 -0.00 0.11 -0.04 2.02 2.10 1zcfG1 PRO 44 HG2 0.01 -0.00 0.06 -0.04 2.03 2.06 1zcfG1 PRO 44 HG3 0.01 0.04 0.05 -0.04 2.03 2.09 1zcfG1 PRO 44 HD2 0.02 0.04 0.05 -0.04 3.68 3.74 1zcfG1 PRO 44 HD3 0.02 0.23 -1.23 -0.04 3.65 2.62 1zcfG1 GLU 45 H 0.06 0.07 -0.84 -0.55 8.60 7.35 1zcfG1 GLU 45 HA 0.06 0.07 0.36 -0.75 4.29 4.03 1zcfG1 GLU 45 HB2 0.17 0.03 -0.03 -0.04 2.09 2.22 1zcfG1 GLU 45 HB3 0.18 0.03 0.09 -0.04 1.99 2.25 1zcfG1 GLU 45 HG2 -0.00 0.01 0.00 -0.04 2.34 2.32 1zcfG1 GLU 45 HG3 0.03 0.02 -0.00 -0.04 2.34 2.35 1zcfG1 LEU 46 H 0.06 0.38 -0.56 -0.55 8.37 7.70 1zcfG1 LEU 46 HA -0.01 0.08 0.47 -0.75 4.35 4.13 1zcfG1 LEU 46 HB2 0.02 0.02 0.01 -0.04 1.64 1.64 1zcfG1 LEU 46 HB3 -0.01 -0.03 -0.10 -0.04 1.64 1.45 1zcfG1 LEU 46 HG 0.08 0.05 0.06 -0.04 1.64 1.79 1zcfG1 LEU 46 HD13 0.02 0.01 -0.02 -0.04 0.93 0.90 1zcfG1 LEU 46 HD23 -0.03 -0.02 -0.11 -0.04 0.89 0.69 1zcfG1 LYS 47 H 0.02 0.38 -0.06 -0.55 8.42 8.21 1zcfG1 LYS 47 HA 0.00 0.12 0.34 -0.75 4.32 4.03 1zcfG1 LYS 47 HB2 0.01 0.02 0.02 -0.04 1.87 1.88 1zcfG1 LYS 47 HB3 0.01 0.02 0.07 -0.04 1.79 1.84 1zcfG1 LYS 47 HG2 0.01 -0.04 0.06 -0.04 1.46 1.44 1zcfG1 LYS 47 HG3 0.01 0.03 0.15 -0.04 1.46 1.62 1zcfG1 LYS 47 HD2 0.01 0.02 0.04 -0.04 1.69 1.72 1zcfG1 LYS 47 HD3 0.01 -0.01 0.03 -0.04 1.68 1.66 1zcfG1 LYS 47 HE2 0.01 -0.03 0.01 -0.04 2.99 2.94 1zcfG1 LYS 47 HE3 0.01 -0.01 0.05 -0.04 2.99 3.00 1zcfG1 THR 48 H 0.03 0.09 -0.74 -0.55 8.28 7.11 1zcfG1 THR 48 HA 0.01 0.03 0.36 -0.75 4.39 4.04 1zcfG1 THR 48 HB 0.05 0.17 0.02 -0.04 4.32 4.52 1zcfG1 THR 48 HG23 0.03 -0.02 0.01 -0.04 1.22 1.20 1zcfG1 LEU 49 H -0.02 0.30 -0.21 -0.55 8.37 7.89 1zcfG1 LEU 49 HA -0.03 0.12 0.75 -0.75 4.35 4.43 1zcfG1 LEU 49 HB2 -0.11 -0.00 0.11 -0.04 1.64 1.60 1zcfG1 LEU 49 HB3 -0.11 -0.05 -0.01 -0.04 1.64 1.43 1zcfG1 LEU 49 HG -0.11 0.06 0.03 -0.04 1.64 1.58 1zcfG1 LEU 49 HD13 -0.59 -0.04 0.01 -0.04 0.93 0.27 1zcfG1 LEU 49 HD23 -0.04 0.02 -0.10 -0.04 0.89 0.73 1zcfG1 ALA 50 H -0.02 0.38 -0.07 -0.55 8.40 8.14 1zcfG1 ALA 50 HA -0.02 0.10 0.39 -0.75 4.34 4.06 1zcfG1 ALA 50 HB3 -0.03 0.05 -0.06 -0.04 1.41 1.34 1zcfG1 ASN 51 H -0.01 0.42 0.25 -0.55 8.53 8.64 1zcfG1 ASN 51 HA -0.01 0.08 0.74 -0.75 4.76 4.82 1zcfG1 ASN 51 HB2 -0.01 0.00 0.19 -0.04 2.88 3.02 1zcfG1 ASN 51 HB3 -0.01 -0.07 0.05 -0.04 2.79 2.73 1zcfG1 ASN 51 HD21 -0.01 -0.10 -0.11 -0.04 7.03 6.77 1zcfG1 ASN 51 HD22 -0.01 0.36 -0.46 -0.04 7.74 7.59 1zcfG1 ILE 52 H -0.01 0.21 0.16 -0.55 8.25 8.06 1zcfG1 ILE 52 HA -0.01 0.37 1.03 -0.75 4.18 4.81 1zcfG1 ILE 52 HB -0.01 -0.04 -0.07 -0.04 1.89 1.73 1zcfG1 ILE 52 HG12 -0.02 0.17 -0.34 -0.04 1.49 1.26 1zcfG1 ILE 52 HG13 -0.01 -0.05 -0.80 -0.04 1.21 0.30 1zcfG1 ILE 52 HG23 -0.01 -0.03 -0.21 -0.04 0.93 0.65 1zcfG1 ILE 52 HD13 -0.01 -0.02 -0.23 -0.04 0.88 0.58 1zcfG1 LYS 53 H -0.01 0.37 0.18 -0.55 8.42 8.40 1zcfG1 LYS 53 HA -0.01 0.03 0.74 -0.75 4.32 4.32 1zcfG1 LYS 53 HB2 -0.01 0.02 0.10 -0.04 1.87 1.94 1zcfG1 LYS 53 HB3 -0.01 0.02 0.06 -0.04 1.79 1.82 1zcfG1 LYS 53 HG2 -0.01 0.09 -0.04 -0.04 1.46 1.46 1zcfG1 LYS 53 HG3 -0.01 -0.09 -0.67 -0.04 1.46 0.65 1zcfG1 LYS 53 HD2 -0.01 0.03 -0.12 -0.04 1.69 1.55 1zcfG1 LYS 53 HD3 -0.01 -0.02 -0.05 -0.04 1.68 1.56 1zcfG1 LYS 53 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.91 1zcfG1 LYS 53 HE3 -0.00 0.02 -0.05 -0.04 2.99 2.91 1zcfG1 GLY 54 H -0.01 0.05 0.10 -0.55 8.43 8.03 1zcfG1 GLY 54 HA2 -0.01 0.28 0.74 -0.51 4.01 4.51 1zcfG1 GLY 54 HA3 -0.01 -0.13 0.33 -0.51 4.01 3.69 1zcfG1 GLU 55 H -0.02 0.16 0.16 -0.55 8.60 8.35 1zcfG1 GLU 55 HA -0.01 -0.02 0.51 -0.75 4.29 4.02 1zcfG1 GLU 55 HB2 -0.01 0.23 -0.11 -0.04 2.09 2.16 1zcfG1 GLU 55 HB3 -0.02 -0.01 -0.02 -0.04 1.99 1.90 1zcfG1 GLU 55 HG2 -0.01 0.05 -0.35 -0.04 2.34 1.98 1zcfG1 GLU 55 HG3 -0.01 -0.00 0.01 -0.04 2.34 2.30 1zcfG1 GLN 56 H -0.01 0.10 0.14 -0.55 8.47 8.16 1zcfG1 GLN 56 HA -0.01 0.02 0.62 -0.75 4.36 4.23 1zcfG1 GLN 56 HB2 -0.01 0.05 0.12 -0.04 2.15 2.27 1zcfG1 GLN 56 HB3 -0.01 0.04 0.01 -0.04 2.02 2.02 1zcfG1 GLN 56 HG2 -0.01 -0.08 0.11 -0.04 2.40 2.38 1zcfG1 GLN 56 HG3 -0.00 0.01 0.04 -0.04 2.39 2.40 1zcfG1 GLN 56 HE21 -0.00 0.03 -0.06 -0.04 6.97 6.90 1zcfG1 GLN 56 HE22 -0.01 0.09 0.00 -0.04 7.69 7.74 1zcfG1 VAL 57 H -0.01 0.60 0.50 -0.55 8.24 8.77 1zcfG1 VAL 57 HA -0.01 0.20 0.89 -0.75 4.13 4.45 1zcfG1 VAL 57 HB -0.02 0.01 0.04 -0.04 2.12 2.12 1zcfG1 VAL 57 HG13 -0.01 -0.01 0.01 -0.04 0.97 0.92 1zcfG1 VAL 57 HG23 -0.02 0.02 -0.03 -0.04 0.95 0.88 1zcfG1 ALA 58 H -0.01 0.31 0.31 -0.55 8.40 8.46 1zcfG1 ALA 58 HA -0.01 0.06 0.30 -0.75 4.34 3.94 1zcfG1 ALA 58 HB3 -0.01 0.06 0.09 -0.04 1.41 1.51 1zcfG1 SER 59 H -0.01 0.16 -0.02 -0.55 8.46 8.05 1zcfG1 SER 59 HA -0.01 0.24 0.50 -0.75 4.49 4.46 1zcfG1 SER 59 HB2 -0.00 0.14 0.09 -0.04 3.95 4.14 1zcfG1 SER 59 HB3 -0.00 -0.04 -0.21 -0.04 3.93 3.64 1zcfG1 ILE 60 H -0.02 0.20 0.04 -0.55 8.25 7.91 1zcfG1 ILE 60 HA -0.02 0.24 0.96 -0.75 4.18 4.60 1zcfG1 ILE 60 HB -0.02 -0.04 0.09 -0.04 1.89 1.88 1zcfG1 ILE 60 HG12 -0.04 -0.02 -0.27 -0.04 1.49 1.13 1zcfG1 ILE 60 HG13 -0.02 0.02 -0.16 -0.04 1.21 1.01 1zcfG1 ILE 60 HG23 -0.01 0.00 -0.07 -0.04 0.93 0.81 1zcfG1 ILE 60 HD13 -0.02 -0.01 -0.04 -0.04 0.88 0.77 1zcfG1 GLY 61 H -0.03 0.13 0.18 -0.55 8.43 8.17 1zcfG1 GLY 61 HA2 -0.05 0.22 0.76 -0.51 4.01 4.42 1zcfG1 GLY 61 HA3 -0.04 0.05 0.40 -0.51 4.01 3.91 1zcfG1 SER 62 H -0.10 0.17 0.24 -0.55 8.46 8.21 1zcfG1 SER 62 HA -0.23 0.11 0.39 -0.75 4.49 4.01 1zcfG1 SER 62 HB2 0.01 -0.18 -0.07 -0.04 3.95 3.67 1zcfG1 SER 62 HB3 -0.19 -0.04 0.14 -0.04 3.93 3.79 1zcfG1 GLU 63 H -0.03 0.03 -0.36 -0.55 8.60 7.70 1zcfG1 GLU 63 HA 0.01 0.09 0.31 -0.75 4.29 3.95 1zcfG1 GLU 63 HB2 -0.00 0.09 0.14 -0.04 2.09 2.27 1zcfG1 GLU 63 HB3 -0.01 -0.06 0.08 -0.04 1.99 1.96 1zcfG1 GLU 63 HG2 -0.02 0.08 -0.17 -0.04 2.34 2.19 1zcfG1 GLU 63 HG3 -0.02 0.05 0.01 -0.04 2.34 2.33 1zcfG1 ASN 64 H -0.02 0.64 -0.37 -0.55 8.53 8.23 1zcfG1 ASN 64 HA -0.00 0.24 0.97 -0.75 4.76 5.21 1zcfG1 ASN 64 HB2 -0.02 -0.03 0.08 -0.04 2.88 2.87 1zcfG1 ASN 64 HB3 -0.01 -0.03 0.02 -0.04 2.79 2.73 1zcfG1 ASN 64 HD21 -0.01 0.02 -0.01 -0.04 7.03 6.99 1zcfG1 ASN 64 HD22 -0.02 -0.12 0.04 -0.04 7.74 7.61 1zcfG1 MET 65 H -0.01 0.12 0.01 -0.55 8.47 8.03 1zcfG1 MET 65 HA 0.00 -0.06 0.36 -0.75 4.52 4.07 1zcfG1 MET 65 HB2 -0.01 -0.07 0.07 -0.04 2.15 2.10 1zcfG1 MET 65 HB3 0.08 0.10 0.12 -0.04 2.03 2.28 1zcfG1 MET 65 HG2 0.30 -0.02 -0.06 -0.04 2.63 2.81 1zcfG1 MET 65 HG3 0.07 0.01 -0.28 -0.04 2.56 2.33 1zcfG1 MET 65 HE3 0.11 0.00 -0.03 -0.04 2.10 2.14 1zcfG1 THR 66 H -0.00 0.07 0.23 -0.55 8.28 8.03 1zcfG1 THR 66 HA -0.00 0.28 0.76 -0.75 4.39 4.67 1zcfG1 THR 66 HB 0.00 0.27 -0.05 -0.04 4.32 4.51 1zcfG1 THR 66 HG23 -0.01 -0.04 0.02 -0.04 1.22 1.15 1zcfG1 SER 67 H -0.02 0.30 0.17 -0.55 8.46 8.37 1zcfG1 SER 67 HA -0.16 0.05 0.35 -0.75 4.49 3.97 1zcfG1 SER 67 HB2 0.02 0.08 -0.03 -0.04 3.95 3.98 1zcfG1 SER 67 HB3 0.03 0.10 0.12 -0.04 3.93 4.14 1zcfG1 ASP 68 H -0.02 0.10 -0.19 -0.55 8.40 7.75 1zcfG1 ASP 68 HA -0.01 0.16 0.39 -0.75 4.63 4.42 1zcfG1 ASP 68 HB2 -0.01 -0.06 0.04 -0.04 2.71 2.63 1zcfG1 ASP 68 HB3 -0.01 0.09 0.06 -0.04 2.70 2.81 1zcfG1 VAL 69 H -0.03 0.10 -0.20 -0.55 8.24 7.55 1zcfG1 VAL 69 HA -0.03 0.09 0.45 -0.75 4.13 3.89 1zcfG1 VAL 69 HB -0.03 0.00 0.12 -0.04 2.12 2.18 1zcfG1 VAL 69 HG13 -0.01 -0.00 -0.01 -0.04 0.97 0.91 1zcfG1 VAL 69 HG23 -0.02 -0.02 0.11 -0.04 0.95 0.99 1zcfG1 LEU 70 H -0.12 0.68 0.04 -0.55 8.37 8.43 1zcfG1 LEU 70 HA -0.19 -0.03 0.31 -0.75 4.35 3.68 1zcfG1 LEU 70 HB2 -0.42 -0.02 0.07 -0.04 1.64 1.22 1zcfG1 LEU 70 HB3 -1.10 0.04 -0.11 -0.04 1.64 0.44 1zcfG1 LEU 70 HG -0.15 -0.05 -0.29 -0.04 1.64 1.11 1zcfG1 LEU 70 HD13 -0.31 -0.00 -0.14 -0.04 0.93 0.44 1zcfG1 LEU 70 HD23 -0.17 -0.01 -0.06 -0.04 0.89 0.61 1zcfG1 LEU 71 H -0.14 0.95 -0.19 -0.55 8.37 8.44 1zcfG1 LEU 71 HA -0.00 -0.02 0.32 -0.75 4.35 3.89 1zcfG1 LEU 71 HB2 -0.02 0.20 0.15 -0.04 1.64 1.93 1zcfG1 LEU 71 HB3 0.02 0.04 -0.05 -0.04 1.64 1.60 1zcfG1 LEU 71 HG 0.01 -0.01 -0.06 -0.04 1.64 1.54 1zcfG1 LEU 71 HD13 0.03 -0.00 -0.25 -0.04 0.93 0.67 1zcfG1 LEU 71 HD23 0.15 -0.00 -0.09 -0.04 0.89 0.91 1zcfG1 THR 72 H -0.04 0.38 -0.14 -0.55 8.28 7.93 1zcfG1 THR 72 HA -0.00 0.04 0.46 -0.75 4.39 4.14 1zcfG1 THR 72 HB -0.02 0.05 0.15 -0.04 4.32 4.46 1zcfG1 THR 72 HG23 -0.01 -0.02 0.02 -0.04 1.22 1.18 1zcfG1 LEU 73 H -0.05 0.60 -0.15 -0.55 8.37 8.23 1zcfG1 LEU 73 HA -0.02 -0.01 0.38 -0.75 4.35 3.94 1zcfG1 LEU 73 HB2 -0.03 -0.01 0.01 -0.04 1.64 1.56 1zcfG1 LEU 73 HB3 -0.06 0.14 0.16 -0.04 1.64 1.84 1zcfG1 LEU 73 HG 0.01 0.02 -0.19 -0.04 1.64 1.44 1zcfG1 LEU 73 HD13 -0.03 -0.02 -0.04 -0.04 0.93 0.80 1zcfG1 LEU 73 HD23 0.02 -0.02 -0.10 -0.04 0.89 0.74 1zcfG1 SER 74 H -0.02 0.73 -0.03 -0.55 8.46 8.60 1zcfG1 SER 74 HA 0.06 -0.02 0.36 -0.75 4.49 4.14 1zcfG1 SER 74 HB2 0.14 0.03 -0.05 -0.04 3.95 4.04 1zcfG1 SER 74 HB3 0.17 -0.06 0.00 -0.04 3.93 4.00 1zcfG1 LYS 75 H 0.03 0.46 -0.19 -0.55 8.42 8.17 1zcfG1 LYS 75 HA 0.03 0.01 0.44 -0.75 4.32 4.04 1zcfG1 LYS 75 HB2 0.02 0.11 0.14 -0.04 1.87 2.10 1zcfG1 LYS 75 HB3 0.02 -0.05 0.01 -0.04 1.79 1.74 1zcfG1 LYS 75 HG2 0.03 -0.07 0.05 -0.04 1.46 1.43 1zcfG1 LYS 75 HG3 0.05 -0.03 0.01 -0.04 1.46 1.45 1zcfG1 LYS 75 HD2 0.02 0.04 -0.03 -0.04 1.69 1.68 1zcfG1 LYS 75 HD3 0.02 -0.02 0.02 -0.04 1.68 1.66 1zcfG1 LYS 75 HE2 0.04 -0.06 -0.02 -0.04 2.99 2.90 1zcfG1 LYS 75 HE3 0.05 -0.06 -0.09 -0.04 2.99 2.85 1zcfG1 ARG 76 H 0.01 0.50 -0.22 -0.55 8.46 8.19 1zcfG1 ARG 76 HA 0.00 -0.00 0.43 -0.75 4.34 4.01 1zcfG1 ARG 76 HB2 -0.00 0.21 0.18 -0.04 1.90 2.24 1zcfG1 ARG 76 HB3 -0.01 0.04 0.12 -0.04 1.80 1.92 1zcfG1 ARG 76 HG2 -0.00 -0.03 0.05 -0.04 1.67 1.65 1zcfG1 ARG 76 HG3 -0.01 -0.03 -0.00 -0.04 1.67 1.59 1zcfG1 ARG 76 HD2 -0.01 -0.02 -0.10 -0.04 3.22 3.05 1zcfG1 ARG 76 HD3 -0.01 0.05 -0.43 -0.04 3.22 2.79 1zcfG1 VAL 77 H 0.01 0.55 -0.11 -0.55 8.24 8.15 1zcfG1 VAL 77 HA 0.00 -0.02 0.32 -0.75 4.13 3.68 1zcfG1 VAL 77 HB 0.04 0.10 0.15 -0.04 2.12 2.36 1zcfG1 VAL 77 HG13 0.03 -0.02 -0.11 -0.04 0.97 0.82 1zcfG1 VAL 77 HG23 0.01 0.15 0.02 -0.04 0.95 1.09 1zcfG1 ASN 78 H 0.03 0.56 -0.04 -0.55 8.53 8.54 1zcfG1 ASN 78 HA 0.02 -0.06 0.33 -0.75 4.76 4.30 1zcfG1 ASN 78 HB2 0.02 0.13 0.17 -0.04 2.88 3.16 1zcfG1 ASN 78 HB3 0.02 -0.04 0.03 -0.04 2.79 2.75 1zcfG1 ASN 78 HD21 0.06 0.22 0.10 -0.04 7.03 7.36 1zcfG1 ASN 78 HD22 0.04 -0.00 -0.08 -0.04 7.74 7.67 1zcfG1 GLU 79 H 0.01 0.45 -0.33 -0.55 8.60 8.19 1zcfG1 GLU 79 HA 0.01 -0.01 0.44 -0.75 4.29 3.97 1zcfG1 GLU 79 HB2 0.01 0.08 0.17 -0.04 2.09 2.30 1zcfG1 GLU 79 HB3 0.00 0.09 0.22 -0.04 1.99 2.26 1zcfG1 GLU 79 HG2 0.00 -0.03 -0.13 -0.04 2.34 2.14 1zcfG1 GLU 79 HG3 0.00 -0.04 0.04 -0.04 2.34 2.31 1zcfG1 LEU 80 H 0.00 0.58 0.08 -0.55 8.37 8.48 1zcfG1 LEU 80 HA -0.00 -0.08 0.34 -0.75 4.35 3.86 1zcfG1 LEU 80 HB2 -0.00 0.14 0.15 -0.04 1.64 1.89 1zcfG1 LEU 80 HB3 -0.00 -0.06 -0.06 -0.04 1.64 1.48 1zcfG1 LEU 80 HG -0.00 0.06 0.06 -0.04 1.64 1.71 1zcfG1 LEU 80 HD13 -0.01 -0.02 -0.10 -0.04 0.93 0.76 1zcfG1 LEU 80 HD23 -0.01 -0.02 -0.01 -0.04 0.89 0.81 1zcfG1 LEU 81 H 0.01 0.57 -0.31 -0.55 8.37 8.09 1zcfG1 LEU 81 HA 0.00 0.04 0.31 -0.75 4.35 3.95 1zcfG1 LEU 81 HB2 0.01 0.07 0.01 -0.04 1.64 1.69 1zcfG1 LEU 81 HB3 0.01 -0.08 -0.04 -0.04 1.64 1.49 1zcfG1 LEU 81 HG 0.01 -0.04 -0.13 -0.04 1.64 1.45 1zcfG1 LEU 81 HD13 0.01 -0.03 -0.18 -0.04 0.93 0.68 1zcfG1 LEU 81 HD23 0.02 -0.05 -0.16 -0.04 0.89 0.67 1zcfG1 ALA 82 H 0.00 0.49 -0.21 -0.55 8.40 8.14 1zcfG1 ALA 82 HA 0.00 -0.03 0.46 -0.75 4.34 4.01 1zcfG1 ALA 82 HB3 0.00 -0.02 0.15 -0.04 1.41 1.51 1zcfG1 ARG 83 H 0.00 0.21 -0.11 -0.55 8.46 8.00 1zcfG1 ARG 83 HA -0.00 -0.02 0.34 -0.75 4.34 3.90 1zcfG1 ARG 83 HB2 -0.00 0.16 0.10 -0.04 1.90 2.12 1zcfG1 ARG 83 HB3 -0.00 -0.30 0.21 -0.04 1.80 1.67 1zcfG1 ARG 83 HG2 -0.00 -0.01 0.06 -0.04 1.67 1.68 1zcfG1 ARG 83 HG3 -0.00 0.13 0.07 -0.04 1.67 1.82 1zcfG1 ARG 83 HD2 -0.00 -0.06 0.05 -0.04 3.22 3.17 1zcfG1 ARG 83 HD3 -0.00 -0.01 0.01 -0.04 3.22 3.18 1zcfG1 SER 84 H -0.00 -0.01 0.21 -0.55 8.46 8.11 1zcfG1 SER 84 HA -0.00 0.36 0.91 -0.75 4.49 5.01 1zcfG1 SER 84 HB2 -0.00 -0.06 0.04 -0.04 3.95 3.88 1zcfG1 SER 84 HB3 -0.00 0.02 0.12 -0.04 3.93 4.02 1zcfG1 ASP 85 H -0.00 -0.03 0.09 -0.55 8.40 7.90 1zcfG1 ASP 85 HA -0.00 0.21 0.72 -0.75 4.63 4.80 1zcfG1 ASP 85 HB2 -0.00 0.02 0.06 -0.04 2.71 2.75 1zcfG1 ASP 85 HB3 -0.00 0.01 0.05 -0.04 2.70 2.71 1zcfG1 VAL 86 H -0.00 0.07 -0.35 -0.55 8.24 7.40 1zcfG1 VAL 86 HA -0.01 0.16 0.78 -0.75 4.13 4.31 1zcfG1 VAL 86 HB -0.00 0.14 0.07 -0.04 2.12 2.29 1zcfG1 VAL 86 HG13 -0.00 -0.04 -0.32 -0.04 0.97 0.57 1zcfG1 VAL 86 HG23 -0.01 -0.05 -0.15 -0.04 0.95 0.71 1zcfG1 ASP 87 H -0.01 0.39 0.06 -0.55 8.40 8.30 1zcfG1 ASP 87 HA -0.00 0.15 0.66 -0.75 4.63 4.68 1zcfG1 ASP 87 HB2 -0.00 -0.04 0.16 -0.04 2.71 2.79 1zcfG1 ASP 87 HB3 -0.00 0.11 -0.23 -0.04 2.70 2.53 1zcfG1 GLY 88 H -0.00 0.11 -0.08 -0.55 8.43 7.91 1zcfG1 GLY 88 HA2 0.00 0.14 0.43 -0.51 4.01 4.08 1zcfG1 GLY 88 HA3 -0.00 0.13 0.49 -0.51 4.01 4.11 1zcfG1 VAL 89 H 0.00 0.58 0.23 -0.55 8.24 8.50 1zcfG1 VAL 89 HA -0.02 0.27 1.15 -0.75 4.13 4.78 1zcfG1 VAL 89 HB -0.00 0.02 0.10 -0.04 2.12 2.19 1zcfG1 VAL 89 HG13 -0.05 -0.01 -0.22 -0.04 0.97 0.65 1zcfG1 VAL 89 HG23 -0.01 -0.03 -0.23 -0.04 0.95 0.64 1zcfG1 VAL 90 H -0.04 0.39 0.24 -0.55 8.24 8.28 1zcfG1 VAL 90 HA -0.05 0.32 1.00 -0.75 4.13 4.65 1zcfG1 VAL 90 HB -0.04 -0.08 0.01 -0.04 2.12 1.98 1zcfG1 VAL 90 HG13 -0.03 -0.01 -0.22 -0.04 0.97 0.67 1zcfG1 VAL 90 HG23 -0.02 0.01 -0.25 -0.04 0.95 0.65 1zcfG1 ILE 91 H -0.20 0.59 0.37 -0.55 8.25 8.46 1zcfG1 ILE 91 HA -0.18 0.26 1.16 -0.75 4.18 4.67 1zcfG1 ILE 91 HB -1.15 -0.02 0.04 -0.04 1.89 0.72 1zcfG1 ILE 91 HG12 -0.21 0.01 -0.21 -0.04 1.49 1.04 1zcfG1 ILE 91 HG13 -0.27 0.05 -0.45 -0.04 1.21 0.49 1zcfG1 ILE 91 HG23 -0.36 -0.01 -0.18 -0.04 0.93 0.34 1zcfG1 ILE 91 HD13 -0.32 -0.00 -0.15 -0.04 0.88 0.37 1zcfG1 THR 92 H -0.09 0.57 0.36 -0.55 8.28 8.57 1zcfG1 THR 92 HA 0.00 0.22 0.74 -0.75 4.39 4.59 1zcfG1 THR 92 HB -0.02 -0.06 0.28 -0.04 4.32 4.48 1zcfG1 THR 92 HG23 0.01 -0.02 -0.36 -0.04 1.22 0.82 1zcfG1 HIS 93 H 0.11 0.41 0.37 -0.55 8.41 8.75 1zcfG1 HIS 93 HA 0.03 0.01 0.56 -0.75 4.63 4.48 1zcfG1 HIS 93 HB2 0.04 0.14 -0.45 -0.04 3.26 2.95 1zcfG1 HIS 93 HB3 0.17 0.06 -0.12 -0.04 3.20 3.26 1zcfG1 HIS 93 HD2 0.07 0.06 -0.01 -0.04 6.97 7.04 1zcfG1 HIS 93 HE1 0.07 -0.10 -0.40 -0.04 7.75 7.27 1zcfG1 GLY 94 H -0.60 0.12 0.17 -0.55 8.43 7.58 1zcfG1 GLY 94 HA2 0.02 0.11 0.52 -0.51 4.01 4.16 1zcfG1 GLY 94 HA3 -0.09 -0.15 0.43 -0.51 4.01 3.69 1zcfG1 THR 95 H 0.11 0.16 0.20 -0.55 8.28 8.20 1zcfG1 THR 95 HA 0.27 0.26 0.75 -0.75 4.39 4.92 1zcfG1 THR 95 HB 0.39 0.06 -0.03 -0.04 4.32 4.70 1zcfG1 THR 95 HG23 0.26 -0.00 -0.13 -0.04 1.22 1.31 1zcfG1 ASP 96 H 0.09 -0.01 0.03 -0.55 8.40 7.96 1zcfG1 ASP 96 HA 0.09 0.20 0.38 -0.75 4.63 4.55 1zcfG1 ASP 96 HB2 0.03 -0.17 0.03 -0.04 2.71 2.57 1zcfG1 ASP 96 HB3 0.03 0.12 -0.01 -0.04 2.70 2.81 1zcfG1 THR 97 H 0.13 -0.01 -0.31 -0.55 8.28 7.54 1zcfG1 THR 97 HA 0.10 0.29 0.87 -0.75 4.39 4.89 1zcfG1 THR 97 HB 0.12 -0.02 0.15 -0.04 4.32 4.53 1zcfG1 THR 97 HG23 0.05 0.01 -0.20 -0.04 1.22 1.04 1zcfG1 LEU 98 H 0.21 0.27 -0.63 -0.55 8.37 7.67 1zcfG1 LEU 98 HA 0.02 0.04 0.24 -0.75 4.35 3.89 1zcfG1 LEU 98 HB2 0.19 0.05 0.11 -0.04 1.64 1.95 1zcfG1 LEU 98 HB3 0.04 0.07 -0.09 -0.04 1.64 1.62 1zcfG1 LEU 98 HG -0.26 0.04 -0.06 -0.04 1.64 1.32 1zcfG1 LEU 98 HD13 0.02 0.02 -0.09 -0.04 0.93 0.83 1zcfG1 LEU 98 HD23 -0.38 -0.01 -0.18 -0.04 0.89 0.27 1zcfG1 ASP 99 H 0.09 0.03 -0.73 -0.55 8.40 7.24 1zcfG1 ASP 99 HA 0.00 0.15 0.32 -0.75 4.63 4.35 1zcfG1 ASP 99 HB2 0.05 -0.05 -0.04 -0.04 2.71 2.62 1zcfG1 ASP 99 HB3 0.02 0.05 -0.05 -0.04 2.70 2.68 1zcfG1 GLU 100 H 0.04 0.17 -0.19 -0.55 8.60 8.08 1zcfG1 GLU 100 HA 0.07 0.14 0.43 -0.75 4.29 4.18 1zcfG1 GLU 100 HB2 0.06 0.01 0.15 -0.04 2.09 2.27 1zcfG1 GLU 100 HB3 0.08 0.00 -0.07 -0.04 1.99 1.96 1zcfG1 GLU 100 HG2 0.07 0.07 -0.05 -0.04 2.34 2.39 1zcfG1 GLU 100 HG3 0.05 0.01 -0.18 -0.04 2.34 2.18 1zcfG1 SER 101 H 0.01 0.19 -0.01 -0.55 8.46 8.10 1zcfG1 SER 101 HA -0.02 -0.03 0.24 -0.75 4.49 3.92 1zcfG1 SER 101 HB2 -0.42 0.06 -0.04 -0.04 3.95 3.51 1zcfG1 SER 101 HB3 -0.10 0.00 -0.10 -0.04 3.93 3.69 1zcfG1 PRO 102 HA -0.66 0.01 0.42 -0.51 4.44 3.70 1zcfG1 PRO 102 HB2 -0.37 0.13 -0.07 -0.04 2.28 1.93 1zcfG1 PRO 102 HB3 -0.81 0.01 -0.07 -0.04 2.02 1.10 1zcfG1 PRO 102 HG2 -0.57 0.07 -0.06 -0.04 2.03 1.43 1zcfG1 PRO 102 HG3 -1.91 -0.05 -0.08 -0.04 2.03 -0.06 1zcfG1 PRO 102 HD2 -0.26 0.41 -0.38 -0.04 3.68 3.40 1zcfG1 PRO 102 HD3 -0.40 -0.10 -0.11 -0.04 3.65 3.00 1zcfG1 TYR 103 H 0.01 0.55 -0.13 -0.55 8.29 8.17 1zcfG1 TYR 103 HA -0.10 0.01 0.34 -0.75 4.56 4.05 1zcfG1 TYR 103 HB2 -0.09 0.21 0.15 -0.04 3.06 3.29 1zcfG1 TYR 103 HB3 -0.05 0.02 0.07 -0.04 2.98 2.98 1zcfG1 TYR 103 HD2 -0.10 -0.03 -0.10 -0.04 7.15 6.88 1zcfG1 TYR 103 HE2 -0.14 -0.00 -0.01 -0.04 6.85 6.66 1zcfG1 PHE 104 H 0.12 0.35 -0.43 -0.55 8.34 7.83 1zcfG1 PHE 104 HA -0.22 0.11 0.40 -0.75 4.62 4.16 1zcfG1 PHE 104 HB2 -0.04 -0.02 -0.09 -0.04 3.15 2.96 1zcfG1 PHE 104 HB3 -0.04 0.09 0.01 -0.04 3.06 3.09 1zcfG1 PHE 104 HD2 -0.04 0.00 -0.34 -0.04 7.28 6.86 1zcfG1 PHE 104 HE2 -0.03 0.01 -0.13 -0.04 7.38 7.19 1zcfG1 PHE 104 HZ -0.03 0.02 -0.14 -0.04 7.32 7.14 1zcfG1 LEU 105 H 0.14 0.37 -0.07 -0.55 8.37 8.26 1zcfG1 LEU 105 HA 0.19 0.07 0.38 -0.75 4.35 4.24 1zcfG1 LEU 105 HB2 0.14 0.09 -0.00 -0.04 1.64 1.83 1zcfG1 LEU 105 HB3 0.14 -0.00 0.07 -0.04 1.64 1.81 1zcfG1 LEU 105 HG 0.22 0.09 -0.02 -0.04 1.64 1.89 1zcfG1 LEU 105 HD13 0.23 -0.00 -0.11 -0.04 0.93 1.00 1zcfG1 LEU 105 HD23 0.15 -0.03 -0.12 -0.04 0.89 0.86 1zcfG1 ASN 106 H -0.07 0.21 -0.91 -0.55 8.53 7.21 1zcfG1 ASN 106 HA 0.01 0.01 0.64 -0.75 4.76 4.66 1zcfG1 ASN 106 HB2 -0.06 0.08 0.09 -0.04 2.88 2.94 1zcfG1 ASN 106 HB3 -0.22 0.31 0.04 -0.04 2.79 2.89 1zcfG1 ASN 106 HD21 0.01 -0.01 -0.00 -0.04 7.03 6.99 1zcfG1 ASN 106 HD22 -0.10 0.15 -0.08 -0.04 7.74 7.68 1zcfG1 LEU 107 H -0.18 0.40 -0.35 -0.55 8.37 7.70 1zcfG1 LEU 107 HA 0.00 0.15 0.89 -0.75 4.35 4.64 1zcfG1 LEU 107 HB2 -0.47 0.07 0.07 -0.04 1.64 1.27 1zcfG1 LEU 107 HB3 -0.26 -0.06 0.16 -0.04 1.64 1.44 1zcfG1 LEU 107 HG -0.72 0.17 -0.05 -0.04 1.64 1.00 1zcfG1 LEU 107 HD13 -0.57 -0.02 -0.05 -0.04 0.93 0.24 1zcfG1 LEU 107 HD23 0.07 0.02 -0.05 -0.04 0.89 0.90 1zcfG1 THR 108 H -0.01 0.08 -0.33 -0.55 8.28 7.47 1zcfG1 THR 108 HA 0.02 0.36 0.65 -0.75 4.39 4.67 1zcfG1 THR 108 HB 0.06 -0.12 0.13 -0.04 4.32 4.36 1zcfG1 THR 108 HG23 -0.21 0.00 -0.34 -0.04 1.22 0.63 1zcfG1 VAL 109 H 0.03 0.15 -0.02 -0.55 8.24 7.85 1zcfG1 VAL 109 HA 0.04 0.14 1.06 -0.75 4.13 4.61 1zcfG1 VAL 109 HB 0.04 0.02 0.20 -0.04 2.12 2.34 1zcfG1 VAL 109 HG13 0.03 0.04 -0.12 -0.04 0.97 0.87 1zcfG1 VAL 109 HG23 0.06 -0.00 0.01 -0.04 0.95 0.98 1zcfG1 LYS 110 H 0.02 0.12 0.12 -0.55 8.42 8.13 1zcfG1 LYS 110 HA -0.00 0.23 0.39 -0.75 4.32 4.19 1zcfG1 LYS 110 HB2 0.01 -0.03 0.06 -0.04 1.87 1.87 1zcfG1 LYS 110 HB3 -0.00 0.02 0.07 -0.04 1.79 1.83 1zcfG1 LYS 110 HG2 0.01 0.09 -0.04 -0.04 1.46 1.47 1zcfG1 LYS 110 HG3 0.02 -0.02 -0.01 -0.04 1.46 1.40 1zcfG1 LYS 110 HD2 0.01 -0.01 0.01 -0.04 1.69 1.66 1zcfG1 LYS 110 HD3 0.00 0.01 -0.01 -0.04 1.68 1.65 1zcfG1 LYS 110 HE2 0.01 0.04 -0.04 -0.04 2.99 2.96 1zcfG1 LYS 110 HE3 0.02 -0.05 0.00 -0.04 2.99 2.92 1zcfG1 SER 111 H 0.01 -0.03 -0.28 -0.55 8.46 7.62 1zcfG1 SER 111 HA -0.01 0.26 0.91 -0.75 4.49 4.90 1zcfG1 SER 111 HB2 0.00 0.10 -0.04 -0.04 3.95 3.98 1zcfG1 SER 111 HB3 0.01 -0.01 -0.01 -0.04 3.93 3.88 1zcfG1 ASP 112 H -0.00 0.19 0.12 -0.55 8.40 8.16 1zcfG1 ASP 112 HA 0.01 0.19 0.91 -0.75 4.63 4.99 1zcfG1 ASP 112 HB2 -0.00 -0.05 0.22 -0.04 2.71 2.83 1zcfG1 ASP 112 HB3 -0.03 0.00 0.03 -0.04 2.70 2.67 1zcfG1 LYS 113 H 0.01 0.03 -0.20 -0.55 8.42 7.70 1zcfG1 LYS 113 HA 0.01 0.15 0.61 -0.75 4.32 4.34 1zcfG1 LYS 113 HB2 0.01 -0.06 -0.04 -0.04 1.87 1.75 1zcfG1 LYS 113 HB3 0.01 0.09 -0.07 -0.04 1.79 1.78 1zcfG1 LYS 113 HG2 -0.00 -0.00 0.01 -0.04 1.46 1.42 1zcfG1 LYS 113 HG3 0.00 -0.05 0.03 -0.04 1.46 1.39 1zcfG1 LYS 113 HD2 0.00 -0.03 0.03 -0.04 1.69 1.64 1zcfG1 LYS 113 HD3 -0.00 -0.01 0.04 -0.04 1.68 1.67 1zcfG1 LYS 113 HE2 -0.00 0.05 0.12 -0.04 2.99 3.12 1zcfG1 LYS 113 HE3 -0.00 -0.13 0.06 -0.04 2.99 2.88 1zcfG1 PRO 114 HA 0.04 -0.00 0.32 -0.51 4.44 4.28 1zcfG1 PRO 114 HB2 0.02 -0.04 0.18 -0.04 2.28 2.40 1zcfG1 PRO 114 HB3 0.03 0.04 -0.01 -0.04 2.02 2.05 1zcfG1 PRO 114 HG2 0.01 0.24 0.11 -0.04 2.03 2.34 1zcfG1 PRO 114 HG3 0.01 -0.02 -0.09 -0.04 2.03 1.89 1zcfG1 PRO 114 HD2 0.01 0.18 0.12 -0.04 3.68 3.95 1zcfG1 PRO 114 HD3 0.00 0.11 0.25 -0.04 3.65 3.97 1zcfG1 VAL 115 H 0.06 0.20 0.06 -0.55 8.24 8.01 1zcfG1 VAL 115 HA 0.05 0.28 0.95 -0.75 4.13 4.65 1zcfG1 VAL 115 HB 0.10 -0.07 0.14 -0.04 2.12 2.25 1zcfG1 VAL 115 HG13 0.17 -0.01 -0.11 -0.04 0.97 0.98 1zcfG1 VAL 115 HG23 0.05 0.06 -0.25 -0.04 0.95 0.76 1zcfG1 VAL 116 H 0.05 0.41 0.20 -0.55 8.24 8.35 1zcfG1 VAL 116 HA 0.18 0.37 1.15 -0.75 4.13 5.07 1zcfG1 VAL 116 HB 0.08 0.01 -0.08 -0.04 2.12 2.09 1zcfG1 VAL 116 HG13 0.07 -0.02 -0.23 -0.04 0.97 0.75 1zcfG1 VAL 116 HG23 0.03 0.04 -0.05 -0.04 0.95 0.92 1zcfG1 PHE 117 H 0.30 0.55 0.44 -0.55 8.34 9.08 1zcfG1 PHE 117 HA -0.01 0.21 1.01 -0.75 4.62 5.07 1zcfG1 PHE 117 HB2 -0.06 0.00 0.18 -0.04 3.15 3.23 1zcfG1 PHE 117 HB3 -0.06 -0.04 -0.00 -0.04 3.06 2.92 1zcfG1 PHE 117 HD2 -0.10 -0.01 -0.22 -0.04 7.28 6.90 1zcfG1 PHE 117 HE2 -0.15 -0.03 -0.19 -0.04 7.38 6.97 1zcfG1 PHE 117 HZ -0.06 0.00 -0.20 -0.04 7.32 7.02 1zcfG1 VAL 118 H 0.05 0.59 0.38 -0.55 8.24 8.72 1zcfG1 VAL 118 HA 0.07 0.30 0.92 -0.75 4.13 4.67 1zcfG1 VAL 118 HB 0.03 -0.11 -0.06 -0.04 2.12 1.94 1zcfG1 VAL 118 HG13 0.05 0.05 -0.04 -0.04 0.97 0.99 1zcfG1 VAL 118 HG23 0.02 0.04 -0.25 -0.04 0.95 0.72 1zcfG1 ALA 119 H 0.08 0.39 0.25 -0.55 8.40 8.58 1zcfG1 ALA 119 HA 0.09 -0.04 0.67 -0.75 4.34 4.30 1zcfG1 ALA 119 HB3 0.15 0.02 -0.05 -0.04 1.41 1.48 1zcfG1 ALA 120 H 0.11 0.27 0.23 -0.55 8.40 8.47 1zcfG1 ALA 120 HA 0.10 0.15 0.57 -0.75 4.34 4.40 1zcfG1 ALA 120 HB3 0.06 0.00 -0.06 -0.04 1.41 1.37 1zcfG1 MET 121 H 0.07 0.10 0.17 -0.55 8.47 8.26 1zcfG1 MET 121 HA 0.08 0.17 0.85 -0.75 4.52 4.87 1zcfG1 MET 121 HB2 0.06 -0.05 -0.02 -0.04 2.15 2.10 1zcfG1 MET 121 HB3 0.04 0.02 -0.04 -0.04 2.03 2.01 1zcfG1 MET 121 HG2 0.01 0.13 -0.10 -0.04 2.63 2.64 1zcfG1 MET 121 HG3 0.04 -0.02 0.10 -0.04 2.56 2.63 1zcfG1 MET 121 HE3 0.05 -0.03 -0.13 -0.04 2.10 1.94 1zcfG1 ARG 122 H 0.05 -0.13 0.05 -0.55 8.46 7.88 1zcfG1 ARG 122 HA 0.05 0.32 0.90 -0.75 4.34 4.86 1zcfG1 ARG 122 HB2 0.02 -0.36 0.18 -0.04 1.90 1.71 1zcfG1 ARG 122 HB3 0.01 0.19 -0.06 -0.04 1.80 1.89 1zcfG1 ARG 122 HG2 0.02 0.10 -0.01 -0.04 1.67 1.73 1zcfG1 ARG 122 HG3 0.02 -0.06 -0.13 -0.04 1.67 1.46 1zcfG1 ARG 122 HD2 0.01 -0.21 0.14 -0.04 3.22 3.12 1zcfG1 ARG 122 HD3 0.00 0.29 -0.03 -0.04 3.22 3.44 1zcfG1 PRO 123 HA -0.14 0.15 0.26 -0.51 4.44 4.21 1zcfG1 PRO 123 HB2 -0.23 0.05 -0.24 -0.04 2.28 1.82 1zcfG1 PRO 123 HB3 -0.77 0.20 -0.07 -0.04 2.02 1.34 1zcfG1 PRO 123 HG2 -0.06 0.03 0.04 -0.04 2.03 2.00 1zcfG1 PRO 123 HG3 0.03 0.05 -0.05 -0.04 2.03 2.02 1zcfG1 PRO 123 HD2 -0.01 0.14 0.06 -0.04 3.68 3.82 1zcfG1 PRO 123 HD3 0.07 0.23 0.21 -0.04 3.65 4.12 1zcfG1 ALA 124 H -0.12 0.35 -0.00 -0.55 8.40 8.08 1zcfG1 ALA 124 HA -0.03 0.02 0.33 -0.75 4.34 3.90 1zcfG1 ALA 124 HB3 -0.04 0.03 -0.03 -0.04 1.41 1.32 1zcfG1 THR 125 H -0.15 0.08 -0.70 -0.55 8.28 6.96 1zcfG1 THR 125 HA -0.05 0.16 0.77 -0.75 4.39 4.52 1zcfG1 THR 125 HB -0.06 0.05 0.07 -0.04 4.32 4.33 1zcfG1 THR 125 HG23 -0.07 -0.02 -0.10 -0.04 1.22 0.99 1zcfG1 ALA 126 H -0.04 0.32 -0.17 -0.55 8.40 7.96 1zcfG1 ALA 126 HA -0.03 0.24 0.58 -0.75 4.34 4.38 1zcfG1 ALA 126 HB3 -0.03 0.03 -0.18 -0.04 1.41 1.19 1zcfG1 ILE 127 H -0.01 0.21 0.06 -0.55 8.25 7.96 1zcfG1 ILE 127 HA -0.01 -0.03 0.38 -0.75 4.18 3.76 1zcfG1 ILE 127 HB -0.01 0.01 0.00 -0.04 1.89 1.86 1zcfG1 ILE 127 HG12 -0.00 0.06 0.04 -0.04 1.49 1.54 1zcfG1 ILE 127 HG13 -0.00 -0.02 0.02 -0.04 1.21 1.17 1zcfG1 ILE 127 HG23 -0.01 0.00 0.00 -0.04 0.93 0.89 1zcfG1 ILE 127 HD13 -0.01 -0.04 0.07 -0.04 0.88 0.86 1zcfG1 SER 128 H -0.01 0.06 0.20 -0.55 8.46 8.17 1zcfG1 SER 128 HA -0.01 -0.01 0.36 -0.75 4.49 4.09 1zcfG1 SER 128 HB2 -0.00 0.24 0.14 -0.04 3.95 4.28 1zcfG1 SER 128 HB3 -0.00 -0.04 0.12 -0.04 3.93 3.97 1zcfG1 ALA 129 H -0.01 0.10 0.10 -0.55 8.40 8.04 1zcfG1 ALA 129 HA 0.00 0.09 0.69 -0.75 4.34 4.37 1zcfG1 ALA 129 HB3 -0.01 0.04 -0.01 -0.04 1.41 1.39 1zcfG1 ASP 130 H 0.02 0.13 0.17 -0.55 8.40 8.17 1zcfG1 ASP 130 HA 0.02 0.14 0.51 -0.75 4.63 4.54 1zcfG1 ASP 130 HB2 0.04 -0.02 0.11 -0.04 2.71 2.79 1zcfG1 ASP 130 HB3 0.02 0.10 0.12 -0.04 2.70 2.91 1zcfG1 GLY 131 H 0.03 0.16 -0.09 -0.55 8.43 7.97 1zcfG1 GLY 131 HA2 0.04 0.01 0.34 -0.51 4.01 3.89 1zcfG1 GLY 131 HA3 0.03 0.13 0.29 -0.51 4.01 3.95 1zcfG1 PRO 132 HA 0.04 0.05 0.43 -0.51 4.44 4.45 1zcfG1 PRO 132 HB2 0.01 0.03 0.06 -0.04 2.28 2.34 1zcfG1 PRO 132 HB3 0.01 0.06 0.04 -0.04 2.02 2.10 1zcfG1 PRO 132 HG2 0.00 0.10 0.05 -0.04 2.03 2.14 1zcfG1 PRO 132 HG3 0.01 0.04 0.05 -0.04 2.03 2.09 1zcfG1 PRO 132 HD2 0.01 0.30 -0.26 -0.04 3.68 3.69 1zcfG1 PRO 132 HD3 0.01 0.08 0.04 -0.04 3.65 3.73 1zcfG1 MET 133 H 0.02 0.26 -0.12 -0.55 8.47 8.08 1zcfG1 MET 133 HA 0.05 0.10 0.50 -0.75 4.52 4.41 1zcfG1 MET 133 HB2 -0.01 0.02 0.10 -0.04 2.15 2.21 1zcfG1 MET 133 HB3 0.02 0.05 0.13 -0.04 2.03 2.19 1zcfG1 MET 133 HG2 0.00 0.00 -0.01 -0.04 2.63 2.58 1zcfG1 MET 133 HG3 0.04 -0.06 -0.19 -0.04 2.56 2.30 1zcfG1 MET 133 HE3 -0.08 0.01 -0.00 -0.04 2.10 1.98 1zcfG1 ASN 134 H 0.05 0.51 -0.05 -0.55 8.53 8.50 1zcfG1 ASN 134 HA 0.06 -0.06 0.49 -0.75 4.76 4.50 1zcfG1 ASN 134 HB2 0.05 0.14 0.23 -0.04 2.88 3.26 1zcfG1 ASN 134 HB3 0.06 0.03 0.13 -0.04 2.79 2.97 1zcfG1 ASN 134 HD21 0.08 -0.12 0.12 -0.04 7.03 7.07 1zcfG1 ASN 134 HD22 0.08 0.42 0.29 -0.04 7.74 8.48 1zcfG1 LEU 135 H 0.06 0.57 -0.10 -0.55 8.37 8.36 1zcfG1 LEU 135 HA 0.04 0.01 0.40 -0.75 4.35 4.04 1zcfG1 LEU 135 HB2 0.04 -0.06 0.03 -0.04 1.64 1.60 1zcfG1 LEU 135 HB3 0.06 0.14 0.18 -0.04 1.64 1.98 1zcfG1 LEU 135 HG 0.05 0.06 -0.30 -0.04 1.64 1.41 1zcfG1 LEU 135 HD13 0.01 -0.03 -0.13 -0.04 0.93 0.74 1zcfG1 LEU 135 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.81 1zcfG1 TYR 136 H 0.17 0.59 0.02 -0.55 8.29 8.53 1zcfG1 TYR 136 HA 0.01 0.00 0.32 -0.75 4.56 4.13 1zcfG1 TYR 136 HB2 0.01 -0.02 0.12 -0.04 3.06 3.13 1zcfG1 TYR 136 HB3 0.01 0.05 0.12 -0.04 2.98 3.12 1zcfG1 TYR 136 HD2 0.01 -0.00 -0.22 -0.04 7.15 6.89 1zcfG1 TYR 136 HE2 0.01 0.04 -0.06 -0.04 6.85 6.79 1zcfG1 GLY 137 H 0.12 0.06 -1.22 -0.55 8.43 6.85 1zcfG1 GLY 137 HA2 0.09 0.05 0.41 -0.51 4.01 4.05 1zcfG1 GLY 137 HA3 0.07 -0.02 0.27 -0.51 4.01 3.82 1zcfG1 ALA 138 H 0.03 0.66 0.19 -0.55 8.40 8.73 1zcfG1 ALA 138 HA 0.02 -0.02 0.23 -0.75 4.34 3.81 1zcfG1 ALA 138 HB3 0.02 0.01 -0.01 -0.04 1.41 1.39 1zcfG1 VAL 139 H -0.05 0.46 -0.52 -0.55 8.24 7.58 1zcfG1 VAL 139 HA -0.04 -0.00 0.37 -0.75 4.13 3.71 1zcfG1 VAL 139 HB -0.15 0.10 -0.01 -0.04 2.12 2.01 1zcfG1 VAL 139 HG13 -0.09 0.01 -0.26 -0.04 0.97 0.58 1zcfG1 VAL 139 HG23 -0.04 -0.01 -0.13 -0.04 0.95 0.73 1zcfG1 LYS 140 H -0.17 0.38 -0.09 -0.55 8.42 7.98 1zcfG1 LYS 140 HA -0.11 0.02 0.27 -0.75 4.32 3.75 1zcfG1 LYS 140 HB2 -0.22 0.07 0.15 -0.04 1.87 1.83 1zcfG1 LYS 140 HB3 -0.06 0.17 0.10 -0.04 1.79 1.97 1zcfG1 LYS 140 HG2 0.00 -0.07 -0.17 -0.04 1.46 1.18 1zcfG1 LYS 140 HG3 -0.01 -0.03 -0.28 -0.04 1.46 1.10 1zcfG1 LYS 140 HD2 -0.05 0.02 0.02 -0.04 1.69 1.64 1zcfG1 LYS 140 HD3 -0.07 0.01 -0.01 -0.04 1.68 1.57 1zcfG1 LYS 140 HE2 0.03 -0.07 -0.22 -0.04 2.99 2.68 1zcfG1 LYS 140 HE3 0.00 -0.08 -0.04 -0.04 2.99 2.83 1zcfG1 VAL 141 H -0.01 0.21 -0.71 -0.55 8.24 7.18 1zcfG1 VAL 141 HA 0.06 0.04 0.37 -0.75 4.13 3.84 1zcfG1 VAL 141 HB 0.04 0.10 -0.07 -0.04 2.12 2.15 1zcfG1 VAL 141 HG13 0.13 -0.02 -0.18 -0.04 0.97 0.86 1zcfG1 VAL 141 HG23 0.03 -0.00 -0.21 -0.04 0.95 0.73 1zcfG1 ALA 142 H 0.00 0.40 -0.06 -0.55 8.40 8.19 1zcfG1 ALA 142 HA 0.02 -0.06 0.37 -0.75 4.34 3.91 1zcfG1 ALA 142 HB3 -0.01 -0.02 0.00 -0.04 1.41 1.35 1zcfG1 ALA 143 H -0.02 0.46 -0.24 -0.55 8.40 8.05 1zcfG1 ALA 143 HA -0.01 0.09 0.42 -0.75 4.34 4.08 1zcfG1 ALA 143 HB3 -0.03 -0.01 0.06 -0.04 1.41 1.39 1zcfG1 ASP 144 H 0.01 0.49 -0.84 -0.55 8.40 7.51 1zcfG1 ASP 144 HA 0.00 0.16 1.08 -0.75 4.63 5.11 1zcfG1 ASP 144 HB2 0.03 0.24 -0.05 -0.04 2.71 2.90 1zcfG1 ASP 144 HB3 0.06 0.02 0.16 -0.04 2.70 2.89 1zcfG1 LYS 145 H -0.01 0.24 0.13 -0.55 8.42 8.22 1zcfG1 LYS 145 HA -0.02 0.11 0.41 -0.75 4.32 4.07 1zcfG1 LYS 145 HB2 -0.01 0.05 0.15 -0.04 1.87 2.02 1zcfG1 LYS 145 HB3 -0.02 -0.01 0.06 -0.04 1.79 1.77 1zcfG1 LYS 145 HG2 -0.02 0.01 0.06 -0.04 1.46 1.47 1zcfG1 LYS 145 HG3 -0.02 0.02 0.13 -0.04 1.46 1.55 1zcfG1 LYS 145 HD2 -0.01 0.02 0.04 -0.04 1.69 1.70 1zcfG1 LYS 145 HD3 -0.02 -0.02 0.02 -0.04 1.68 1.62 1zcfG1 LYS 145 HE2 -0.02 -0.00 0.02 -0.04 2.99 2.95 1zcfG1 LYS 145 HE3 -0.01 0.02 0.03 -0.04 2.99 2.99 1zcfG1 ASN 146 H -0.03 0.02 -0.52 -0.55 8.53 7.45 1zcfG1 ASN 146 HA -0.10 0.13 0.46 -0.75 4.76 4.49 1zcfG1 ASN 146 HB2 -0.05 -0.00 -0.05 -0.04 2.88 2.74 1zcfG1 ASN 146 HB3 -0.17 0.01 0.05 -0.04 2.79 2.64 1zcfG1 ASN 146 HD21 -0.01 0.01 0.01 -0.04 7.03 7.00 1zcfG1 ASN 146 HD22 0.01 0.02 0.00 -0.04 7.74 7.73 1zcfG1 SER 147 H -0.05 0.64 -0.23 -0.55 8.46 8.27 1zcfG1 SER 147 HA -0.24 0.05 0.52 -0.75 4.49 4.07 1zcfG1 SER 147 HB2 0.02 0.21 0.13 -0.04 3.95 4.28 1zcfG1 SER 147 HB3 0.07 -0.15 -0.02 -0.04 3.93 3.78 1zcfG1 ARG 148 H -0.04 0.15 -0.18 -0.55 8.46 7.84 1zcfG1 ARG 148 HA -0.00 -0.07 0.40 -0.75 4.34 3.91 1zcfG1 ARG 148 HB2 -0.01 -0.04 0.18 -0.04 1.90 1.98 1zcfG1 ARG 148 HB3 -0.03 0.19 0.18 -0.04 1.80 2.09 1zcfG1 ARG 148 HG2 -0.01 -0.01 -0.24 -0.04 1.67 1.36 1zcfG1 ARG 148 HG3 -0.00 0.11 0.06 -0.04 1.67 1.79 1zcfG1 ARG 148 HD2 -0.01 -0.01 0.04 -0.04 3.22 3.19 1zcfG1 ARG 148 HD3 -0.02 0.01 0.03 -0.04 3.22 3.19 1zcfG1 GLY 149 H 0.02 0.20 0.22 -0.55 8.43 8.33 1zcfG1 GLY 149 HA2 0.05 -0.08 0.40 -0.51 4.01 3.86 1zcfG1 GLY 149 HA3 0.01 0.11 0.60 -0.51 4.01 4.22 1zcfG1 ARG 150 H 0.04 0.17 0.07 -0.55 8.46 8.19 1zcfG1 ARG 150 HA 0.02 0.17 0.92 -0.75 4.34 4.70 1zcfG1 ARG 150 HB2 0.02 0.05 0.04 -0.04 1.90 1.96 1zcfG1 ARG 150 HB3 0.01 -0.13 0.18 -0.04 1.80 1.82 1zcfG1 ARG 150 HG2 -0.05 0.01 -0.25 -0.04 1.67 1.35 1zcfG1 ARG 150 HG3 -0.06 0.18 -0.53 -0.04 1.67 1.22 1zcfG1 ARG 150 HD2 -0.37 0.18 0.01 -0.04 3.22 3.00 1zcfG1 ARG 150 HD3 -0.09 -0.14 -0.02 -0.04 3.22 2.93 1zcfG1 GLY 151 H 0.15 0.01 -0.03 -0.55 8.43 8.01 1zcfG1 GLY 151 HA2 0.21 -0.01 0.34 -0.51 4.01 4.04 1zcfG1 GLY 151 HA3 -0.25 0.10 0.54 -0.51 4.01 3.89 1zcfG1 VAL 152 H 0.01 0.06 0.18 -0.55 8.24 7.94 1zcfG1 VAL 152 HA 0.06 0.12 0.49 -0.75 4.13 4.04 1zcfG1 VAL 152 HB -0.04 -0.09 0.12 -0.04 2.12 2.07 1zcfG1 VAL 152 HG13 -0.12 0.01 -0.20 -0.04 0.97 0.63 1zcfG1 VAL 152 HG23 0.05 -0.00 -0.11 -0.04 0.95 0.85 1zcfG1 LEU 153 H 0.08 0.84 0.45 -0.55 8.37 9.19 1zcfG1 LEU 153 HA 0.02 0.20 1.08 -0.75 4.35 4.89 1zcfG1 LEU 153 HB2 0.08 -0.09 -0.05 -0.04 1.64 1.55 1zcfG1 LEU 153 HB3 0.07 -0.03 -0.06 -0.04 1.64 1.58 1zcfG1 LEU 153 HG 0.06 0.06 -0.09 -0.04 1.64 1.63 1zcfG1 LEU 153 HD13 0.11 -0.01 -0.15 -0.04 0.93 0.84 1zcfG1 LEU 153 HD23 0.05 0.03 -0.39 -0.04 0.89 0.54 1zcfG1 VAL 154 H 0.02 0.49 0.26 -0.55 8.24 8.46 1zcfG1 VAL 154 HA 0.03 0.06 0.93 -0.75 4.13 4.39 1zcfG1 VAL 154 HB -0.03 -0.06 0.06 -0.04 2.12 2.05 1zcfG1 VAL 154 HG13 -0.19 -0.02 -0.14 -0.04 0.97 0.58 1zcfG1 VAL 154 HG23 -0.14 0.05 -0.22 -0.04 0.95 0.60 1zcfG1 VAL 155 H 0.05 0.54 0.24 -0.55 8.24 8.52 1zcfG1 VAL 155 HA 0.03 0.26 1.05 -0.75 4.13 4.71 1zcfG1 VAL 155 HB 0.05 0.02 0.08 -0.04 2.12 2.23 1zcfG1 VAL 155 HG13 0.02 -0.01 -0.20 -0.04 0.97 0.75 1zcfG1 VAL 155 HG23 0.03 0.01 -0.22 -0.04 0.95 0.73 1zcfG1 LEU 156 H 0.03 0.40 0.12 -0.55 8.37 8.37 1zcfG1 LEU 156 HA 0.05 -0.01 0.53 -0.75 4.35 4.17 1zcfG1 LEU 156 HB2 0.12 -0.01 0.01 -0.04 1.64 1.72 1zcfG1 LEU 156 HB3 0.09 0.11 0.24 -0.04 1.64 2.03 1zcfG1 LEU 156 HG 0.02 0.00 -0.37 -0.04 1.64 1.25 1zcfG1 LEU 156 HD13 0.24 0.01 -0.08 -0.04 0.93 1.06 1zcfG1 LEU 156 HD23 0.25 -0.02 -0.20 -0.04 0.89 0.88 1zcfG1 ASN 157 H 0.04 0.12 0.18 -0.55 8.53 8.32 1zcfG1 ASN 157 HA 0.01 0.02 0.35 -0.75 4.76 4.39 1zcfG1 ASN 157 HB2 0.06 -0.01 -0.18 -0.04 2.88 2.70 1zcfG1 ASN 157 HB3 0.00 0.17 0.43 -0.04 2.79 3.35 1zcfG1 ASN 157 HD21 0.01 -0.05 -0.02 -0.04 7.03 6.93 1zcfG1 ASN 157 HD22 0.01 0.06 0.08 -0.04 7.74 7.85 1zcfG1 ASP 158 H 0.00 0.05 0.05 -0.55 8.40 7.95 1zcfG1 ASP 158 HA -0.01 0.06 0.30 -0.75 4.63 4.23 1zcfG1 ASP 158 HB2 -0.05 0.16 -0.22 -0.04 2.71 2.56 1zcfG1 ASP 158 HB3 -0.04 0.06 0.23 -0.04 2.70 2.90 1zcfG1 ARG 159 H -0.07 -0.05 -0.85 -0.55 8.46 6.93 1zcfG1 ARG 159 HA -0.26 0.20 1.00 -0.75 4.34 4.53 1zcfG1 ARG 159 HB2 -0.17 0.08 -0.01 -0.04 1.90 1.76 1zcfG1 ARG 159 HB3 -0.80 -0.06 -0.00 -0.04 1.80 0.89 1zcfG1 ARG 159 HG2 -0.23 0.46 -0.14 -0.04 1.67 1.73 1zcfG1 ARG 159 HG3 -0.37 -0.00 0.03 -0.04 1.67 1.29 1zcfG1 ARG 159 HD2 -1.32 -0.06 0.02 -0.04 3.22 1.81 1zcfG1 ARG 159 HD3 -0.37 0.07 -0.09 -0.04 3.22 2.79 1zcfG1 ILE 160 H -0.11 0.37 0.24 -0.55 8.25 8.19 1zcfG1 ILE 160 HA 0.02 0.27 0.99 -0.75 4.18 4.70 1zcfG1 ILE 160 HB -0.05 -0.16 0.27 -0.04 1.89 1.92 1zcfG1 ILE 160 HG12 -0.10 -0.01 -0.41 -0.04 1.49 0.92 1zcfG1 ILE 160 HG13 -0.21 -0.01 -0.35 -0.04 1.21 0.60 1zcfG1 ILE 160 HG23 0.03 0.01 -0.13 -0.04 0.93 0.80 1zcfG1 ILE 160 HD13 -0.03 0.06 -0.32 -0.04 0.88 0.55 1zcfG1 GLY 161 H 0.10 0.56 0.23 -0.55 8.43 8.77 1zcfG1 GLY 161 HA2 0.19 0.01 1.19 -0.51 4.01 4.89 1zcfG1 GLY 161 HA3 0.21 0.02 0.29 -0.51 4.01 4.02 1zcfG1 SER 162 H 0.12 0.13 0.21 -0.55 8.46 8.37 1zcfG1 SER 162 HA -0.02 0.28 0.51 -0.75 4.49 4.51 1zcfG1 SER 162 HB2 -0.02 0.15 0.15 -0.04 3.95 4.19 1zcfG1 SER 162 HB3 0.09 0.00 0.16 -0.04 3.93 4.14 1zcfG1 ALA 163 H -0.09 0.42 0.20 -0.55 8.40 8.39 1zcfG1 ALA 163 HA -0.09 0.10 0.39 -0.75 4.34 3.98 1zcfG1 ALA 163 HB3 -0.09 -0.00 -0.14 -0.04 1.41 1.14 1zcfG1 ARG 164 H -0.25 -0.00 -0.30 -0.55 8.46 7.35 1zcfG1 ARG 164 HA -0.16 0.18 0.59 -0.75 4.34 4.20 1zcfG1 ARG 164 HB2 -0.16 0.06 0.01 -0.04 1.90 1.77 1zcfG1 ARG 164 HB3 -0.72 -0.09 0.01 -0.04 1.80 0.96 1zcfG1 ARG 164 HG2 -0.42 -0.01 -0.08 -0.04 1.67 1.11 1zcfG1 ARG 164 HG3 -0.85 -0.01 -0.26 -0.04 1.67 0.50 1zcfG1 ARG 164 HD2 -0.23 -0.01 0.13 -0.04 3.22 3.07 1zcfG1 ARG 164 HD3 0.00 0.23 -0.01 -0.04 3.22 3.40 1zcfG1 PHE 165 H -0.15 0.04 -0.27 -0.55 8.34 7.41 1zcfG1 PHE 165 HA -0.07 0.28 1.03 -0.75 4.62 5.11 1zcfG1 PHE 165 HB2 -0.05 -0.01 0.02 -0.04 3.15 3.07 1zcfG1 PHE 165 HB3 -0.06 -0.07 -0.02 -0.04 3.06 2.87 1zcfG1 PHE 165 HD2 -0.04 0.07 -0.10 -0.04 7.28 7.17 1zcfG1 PHE 165 HE2 -0.01 0.02 -0.08 -0.04 7.38 7.27 1zcfG1 PHE 165 HZ -0.01 0.00 -0.07 -0.04 7.32 7.21 1zcfG1 ILE 166 H 0.06 0.30 0.01 -0.55 8.25 8.07 1zcfG1 ILE 166 HA 0.08 0.04 0.19 -0.75 4.18 3.74 1zcfG1 ILE 166 HB -0.03 0.06 -0.12 -0.04 1.89 1.76 1zcfG1 ILE 166 HG12 0.06 0.39 -0.03 -0.04 1.49 1.87 1zcfG1 ILE 166 HG13 0.06 -0.04 -0.19 -0.04 1.21 1.00 1zcfG1 ILE 166 HG23 0.09 -0.02 -0.17 -0.04 0.93 0.79 1zcfG1 ILE 166 HD13 0.08 -0.03 -0.18 -0.04 0.88 0.72 1zcfG1 SER 167 H 0.20 0.19 0.17 -0.55 8.46 8.48 1zcfG1 SER 167 HA 0.18 0.01 0.28 -0.75 4.49 4.21 1zcfG1 SER 167 HB2 0.09 -0.09 0.03 -0.04 3.95 3.93 1zcfG1 SER 167 HB3 0.05 0.26 -0.02 -0.04 3.93 4.18 1zcfG1 LYS 168 H 0.27 0.13 0.02 -0.55 8.42 8.28 1zcfG1 LYS 168 HA -0.45 0.01 0.39 -0.75 4.32 3.51 1zcfG1 LYS 168 HB2 0.25 -0.01 0.04 -0.04 1.87 2.11 1zcfG1 LYS 168 HB3 0.05 0.01 0.17 -0.04 1.79 1.98 1zcfG1 LYS 168 HG2 -0.14 0.23 -0.08 -0.04 1.46 1.43 1zcfG1 LYS 168 HG3 -0.53 -0.11 -0.08 -0.04 1.46 0.70 1zcfG1 LYS 168 HD2 0.07 0.08 -0.15 -0.04 1.69 1.65 1zcfG1 LYS 168 HD3 0.01 -0.00 -0.02 -0.04 1.68 1.62 1zcfG1 LYS 168 HE2 -0.06 0.09 -0.06 -0.04 2.99 2.92 1zcfG1 LYS 168 HE3 -0.17 -0.03 -0.14 -0.04 2.99 2.61 1zcfG1 THR 169 H -0.08 0.60 0.35 -0.55 8.28 8.61 1zcfG1 THR 169 HA -0.01 0.06 0.42 -0.75 4.39 4.11 1zcfG1 THR 169 HB -0.02 -0.07 0.04 -0.04 4.32 4.23 1zcfG1 THR 169 HG23 0.01 0.02 0.14 -0.04 1.22 1.35 1zcfG1 ASN 170 H -0.11 0.07 0.07 -0.55 8.53 8.02 1zcfG1 ASN 170 HA -0.04 0.22 0.81 -0.75 4.76 4.99 1zcfG1 ASN 170 HB2 -0.04 0.11 0.01 -0.04 2.88 2.92 1zcfG1 ASN 170 HB3 -0.08 -0.08 0.03 -0.04 2.79 2.62 1zcfG1 ASN 170 HD21 -0.02 0.03 0.05 -0.04 7.03 7.04 1zcfG1 ASN 170 HD22 -0.02 0.11 0.03 -0.04 7.74 7.82 1zcfG1 ALA 171 H -0.04 0.11 0.15 -0.55 8.40 8.07 1zcfG1 ALA 171 HA -0.05 0.28 0.80 -0.75 4.34 4.61 1zcfG1 ALA 171 HB3 -0.03 0.02 0.08 -0.04 1.41 1.44 1zcfG1 SER 172 H -0.04 -0.16 0.04 -0.55 8.46 7.75 1zcfG1 SER 172 HA -0.03 0.24 0.75 -0.75 4.49 4.70 1zcfG1 SER 172 HB2 -0.02 -0.03 -0.05 -0.04 3.95 3.82 1zcfG1 SER 172 HB3 -0.01 0.06 0.13 -0.04 3.93 4.07 1zcfG1 THR 173 H -0.05 -0.14 0.04 -0.55 8.28 7.58 1zcfG1 THR 173 HA -0.02 0.20 0.52 -0.75 4.39 4.34 1zcfG1 THR 173 HB -0.03 0.04 0.07 -0.04 4.32 4.37 1zcfG1 THR 173 HG23 -0.05 -0.03 -0.16 -0.04 1.22 0.94 1zcfG1 LEU 174 H -0.01 0.17 0.14 -0.55 8.37 8.13 1zcfG1 LEU 174 HA 0.00 0.18 0.72 -0.75 4.35 4.49 1zcfG1 LEU 174 HB2 0.01 0.02 0.10 -0.04 1.64 1.73 1zcfG1 LEU 174 HB3 0.02 0.02 0.03 -0.04 1.64 1.67 1zcfG1 LEU 174 HG 0.01 0.06 0.02 -0.04 1.64 1.68 1zcfG1 LEU 174 HD13 0.01 0.02 0.03 -0.04 0.93 0.95 1zcfG1 LEU 174 HD23 0.03 0.01 -0.01 -0.04 0.89 0.87 1zcfG1 ASP 175 H -0.01 0.05 -0.11 -0.55 8.40 7.79 1zcfG1 ASP 175 HA 0.05 0.27 0.76 -0.75 4.63 4.95 1zcfG1 ASP 175 HB2 0.05 0.10 0.14 -0.04 2.71 2.95 1zcfG1 ASP 175 HB3 0.02 0.04 0.02 -0.04 2.70 2.74 1zcfG1 THR 176 H -0.09 0.18 -0.68 -0.55 8.28 7.14 1zcfG1 THR 176 HA -0.10 -0.00 0.26 -0.75 4.39 3.79 1zcfG1 THR 176 HB -0.19 0.06 -0.11 -0.04 4.32 4.04 1zcfG1 THR 176 HG23 -0.84 0.02 -0.20 -0.04 1.22 0.16 1zcfG1 PHE 177 H 0.00 0.08 -0.37 -0.55 8.34 7.51 1zcfG1 PHE 177 HA 0.06 0.31 0.83 -0.75 4.62 5.06 1zcfG1 PHE 177 HB2 0.09 0.02 0.00 -0.04 3.15 3.22 1zcfG1 PHE 177 HB3 0.10 0.01 -0.13 -0.04 3.06 3.00 1zcfG1 PHE 177 HD2 0.05 0.07 -0.44 -0.04 7.28 6.92 1zcfG1 PHE 177 HE2 0.05 -0.07 -0.19 -0.04 7.38 7.12 1zcfG1 PHE 177 HZ 0.06 0.13 -0.04 -0.04 7.32 7.42 1zcfG1 LYS 178 H 0.16 0.43 0.33 -0.55 8.42 8.78 1zcfG1 LYS 178 HA -0.02 0.05 0.47 -0.75 4.32 4.07 1zcfG1 LYS 178 HB2 -0.05 -0.04 -0.08 -0.04 1.87 1.66 1zcfG1 LYS 178 HB3 0.21 0.16 -0.13 -0.04 1.79 1.98 1zcfG1 LYS 178 HG2 0.06 0.05 -0.34 -0.04 1.46 1.19 1zcfG1 LYS 178 HG3 0.01 -0.01 -0.06 -0.04 1.46 1.35 1zcfG1 LYS 178 HD2 0.01 -0.06 -0.08 -0.04 1.69 1.52 1zcfG1 LYS 178 HD3 0.02 -0.02 -0.11 -0.04 1.68 1.53 1zcfG1 LYS 178 HE2 0.12 0.01 -0.10 -0.04 2.99 2.98 1zcfG1 LYS 178 HE3 0.05 0.32 -0.07 -0.04 2.99 3.25 1zcfG1 ALA 179 H -0.48 0.17 -0.04 -0.55 8.40 7.50 1zcfG1 ALA 179 HA -0.07 0.31 0.82 -0.75 4.34 4.65 1zcfG1 ALA 179 HB3 -0.15 0.04 0.02 -0.04 1.41 1.28 1zcfG1 PRO 180 HA -0.07 0.06 0.32 -0.51 4.44 4.23 1zcfG1 PRO 180 HB2 -0.05 -0.11 0.15 -0.04 2.28 2.22 1zcfG1 PRO 180 HB3 -0.04 0.04 0.04 -0.04 2.02 2.02 1zcfG1 PRO 180 HG2 -0.02 0.11 0.05 -0.04 2.03 2.12 1zcfG1 PRO 180 HG3 -0.03 0.02 0.02 -0.04 2.03 1.99 1zcfG1 PRO 180 HD2 -0.04 0.15 0.19 -0.04 3.68 3.93 1zcfG1 PRO 180 HD3 -0.04 0.49 -0.02 -0.04 3.65 4.04 1zcfG1 GLU 181 H -0.10 0.13 -0.04 -0.55 8.60 8.04 1zcfG1 GLU 181 HA -0.09 0.14 0.49 -0.75 4.29 4.07 1zcfG1 GLU 181 HB2 -0.08 -0.07 0.10 -0.04 2.09 2.00 1zcfG1 GLU 181 HB3 -0.13 0.05 -0.00 -0.04 1.99 1.86 1zcfG1 GLU 181 HG2 -0.06 -0.06 0.03 -0.04 2.34 2.22 1zcfG1 GLU 181 HG3 -0.09 0.06 0.11 -0.04 2.34 2.39 1zcfG1 GLU 182 H -0.22 0.07 -0.44 -0.55 8.60 7.46 1zcfG1 GLU 182 HA -0.28 0.25 1.01 -0.75 4.29 4.51 1zcfG1 GLU 182 HB2 -0.63 -0.04 -0.04 -0.04 2.09 1.33 1zcfG1 GLU 182 HB3 -0.88 0.01 0.00 -0.04 1.99 1.07 1zcfG1 GLU 182 HG2 -2.15 0.00 -0.09 -0.04 2.34 0.07 1zcfG1 GLU 182 HG3 -0.60 0.12 -0.20 -0.04 2.34 1.63 1zcfG1 GLY 183 H -0.21 0.70 0.15 -0.55 8.43 8.53 1zcfG1 GLY 183 HA2 -0.25 -0.01 0.34 -0.51 4.01 3.57 1zcfG1 GLY 183 HA3 -0.10 0.13 0.45 -0.51 4.01 3.98 1zcfG1 TYR 184 H 0.06 0.16 0.17 -0.55 8.29 8.13 1zcfG1 TYR 184 HA 0.05 0.06 0.88 -0.75 4.56 4.80 1zcfG1 TYR 184 HB2 0.01 0.01 0.04 -0.04 3.06 3.08 1zcfG1 TYR 184 HB3 0.02 0.10 0.09 -0.04 2.98 3.14 1zcfG1 TYR 184 HD2 0.03 0.00 -0.10 -0.04 7.15 7.04 1zcfG1 TYR 184 HE2 0.05 0.04 -0.07 -0.04 6.85 6.82 1zcfG1 LEU 185 H 0.19 0.43 0.48 -0.55 8.37 8.93 1zcfG1 LEU 185 HA 0.13 0.07 0.54 -0.75 4.35 4.33 1zcfG1 LEU 185 HB2 0.12 0.08 0.15 -0.04 1.64 1.95 1zcfG1 LEU 185 HB3 0.19 0.08 0.08 -0.04 1.64 1.94 1zcfG1 LEU 185 HG 0.13 -0.25 0.15 -0.04 1.64 1.62 1zcfG1 LEU 185 HD13 0.09 0.01 -0.07 -0.04 0.93 0.92 1zcfG1 LEU 185 HD23 0.11 0.03 -0.04 -0.04 0.89 0.95 1zcfG1 GLY 186 H 0.04 0.40 0.30 -0.55 8.43 8.62 1zcfG1 GLY 186 HA2 -0.01 0.04 0.65 -0.51 4.01 4.18 1zcfG1 GLY 186 HA3 -0.26 0.10 0.52 -0.51 4.01 3.86 1zcfG1 VAL 187 H -0.04 0.55 0.37 -0.55 8.24 8.57 1zcfG1 VAL 187 HA -0.10 0.15 1.01 -0.75 4.13 4.44 1zcfG1 VAL 187 HB -0.08 -0.03 -0.08 -0.04 2.12 1.89 1zcfG1 VAL 187 HG13 -0.07 -0.01 -0.06 -0.04 0.97 0.79 1zcfG1 VAL 187 HG23 -0.09 0.08 0.03 -0.04 0.95 0.93 1zcfG1 ILE 188 H -0.04 0.49 0.10 -0.55 8.25 8.25 1zcfG1 ILE 188 HA 0.09 0.22 1.09 -0.75 4.18 4.83 1zcfG1 ILE 188 HB -0.01 -0.01 -0.20 -0.04 1.89 1.63 1zcfG1 ILE 188 HG12 0.06 -0.02 -0.20 -0.04 1.49 1.29 1zcfG1 ILE 188 HG13 0.06 -0.01 -0.41 -0.04 1.21 0.82 1zcfG1 ILE 188 HG23 0.00 -0.00 -0.02 -0.04 0.93 0.86 1zcfG1 ILE 188 HD13 0.05 0.11 -0.44 -0.04 0.88 0.57 1zcfG1 ILE 189 H 0.21 0.38 0.12 -0.55 8.25 8.41 1zcfG1 ILE 189 HA 0.03 0.17 0.96 -0.75 4.18 4.60 1zcfG1 ILE 189 HB -0.07 0.02 -0.02 -0.04 1.89 1.78 1zcfG1 ILE 189 HG12 -0.06 -0.07 -0.41 -0.04 1.49 0.91 1zcfG1 ILE 189 HG13 -0.09 -0.01 -0.10 -0.04 1.21 0.97 1zcfG1 ILE 189 HG23 -0.02 -0.01 -0.08 -0.04 0.93 0.78 1zcfG1 ILE 189 HD13 -0.03 0.09 -0.02 -0.04 0.88 0.88 1zcfG1 GLY 190 H 0.03 0.13 0.13 -0.55 8.43 8.18 1zcfG1 GLY 190 HA2 0.04 0.02 0.35 -0.51 4.01 3.91 1zcfG1 GLY 190 HA3 0.08 0.05 0.61 -0.51 4.01 4.23 1zcfG1 ASP 191 H 0.07 0.13 0.19 -0.55 8.40 8.25 1zcfG1 ASP 191 HA 0.08 0.20 0.69 -0.75 4.63 4.85 1zcfG1 ASP 191 HB2 0.04 -0.05 -0.17 -0.04 2.71 2.49 1zcfG1 ASP 191 HB3 0.04 -0.00 0.04 -0.04 2.70 2.74 1zcfG1 LYS 192 H 0.09 0.41 0.10 -0.55 8.42 8.46 1zcfG1 LYS 192 HA -0.02 0.18 0.84 -0.75 4.32 4.57 1zcfG1 LYS 192 HB2 -0.08 -0.01 0.07 -0.04 1.87 1.81 1zcfG1 LYS 192 HB3 -0.20 0.08 0.10 -0.04 1.79 1.73 1zcfG1 LYS 192 HG2 -0.02 0.12 -0.05 -0.04 1.46 1.46 1zcfG1 LYS 192 HG3 0.01 -0.19 -0.29 -0.04 1.46 0.95 1zcfG1 LYS 192 HD2 -0.01 -0.03 -0.01 -0.04 1.69 1.60 1zcfG1 LYS 192 HD3 -0.07 0.04 0.01 -0.04 1.68 1.62 1zcfG1 LYS 192 HE2 -0.01 0.05 -0.01 -0.04 2.99 2.98 1zcfG1 LYS 192 HE3 0.01 -0.05 -0.03 -0.04 2.99 2.88 1zcfG1 ILE 193 H -0.08 0.14 0.13 -0.55 8.25 7.89 1zcfG1 ILE 193 HA 0.01 0.13 0.75 -0.75 4.18 4.32 1zcfG1 ILE 193 HB 0.03 -0.00 -0.02 -0.04 1.89 1.86 1zcfG1 ILE 193 HG12 0.00 -0.02 -0.24 -0.04 1.49 1.20 1zcfG1 ILE 193 HG13 0.01 -0.02 -0.13 -0.04 1.21 1.02 1zcfG1 ILE 193 HG23 -0.19 -0.00 -0.20 -0.04 0.93 0.50 1zcfG1 ILE 193 HD13 0.05 0.01 -0.26 -0.04 0.88 0.64 1zcfG1 TYR 194 H -0.01 0.48 0.23 -0.55 8.29 8.45 1zcfG1 TYR 194 HA 0.02 0.15 0.87 -0.75 4.56 4.85 1zcfG1 TYR 194 HB2 -0.06 -0.03 0.19 -0.04 3.06 3.12 1zcfG1 TYR 194 HB3 -0.01 0.02 -0.03 -0.04 2.98 2.92 1zcfG1 TYR 194 HD2 -0.01 0.02 -0.08 -0.04 7.15 7.05 1zcfG1 TYR 194 HE2 0.01 0.07 -0.03 -0.04 6.85 6.86 1zcfG1 TYR 195 H 0.23 0.20 0.12 -0.55 8.29 8.30 1zcfG1 TYR 195 HA 0.08 0.09 1.00 -0.75 4.56 4.97 1zcfG1 TYR 195 HB2 0.03 -0.02 0.11 -0.04 3.06 3.15 1zcfG1 TYR 195 HB3 0.04 0.09 -0.02 -0.04 2.98 3.05 1zcfG1 TYR 195 HD2 0.02 0.01 -0.12 -0.04 7.15 7.03 1zcfG1 TYR 195 HE2 0.01 -0.02 -0.16 -0.04 6.85 6.65 1zcfG1 GLN 196 H 0.12 0.74 0.59 -0.55 8.47 9.36 1zcfG1 GLN 196 HA 0.10 0.18 1.10 -0.75 4.36 4.99 1zcfG1 GLN 196 HB2 0.08 0.14 0.06 -0.04 2.15 2.38 1zcfG1 GLN 196 HB3 0.06 -0.05 0.08 -0.04 2.02 2.07 1zcfG1 GLN 196 HG2 0.06 -0.00 -0.10 -0.04 2.40 2.32 1zcfG1 GLN 196 HG3 0.07 -0.08 -0.28 -0.04 2.39 2.06 1zcfG1 GLN 196 HE21 0.01 -0.04 -0.05 -0.04 6.97 6.85 1zcfG1 GLN 196 HE22 0.01 0.00 -0.04 -0.04 7.69 7.62 1zcfG1 THR 197 H 0.14 0.41 0.36 -0.55 8.28 8.63 1zcfG1 THR 197 HA 0.07 0.13 0.71 -0.75 4.39 4.55 1zcfG1 THR 197 HB 0.07 -0.01 0.03 -0.04 4.32 4.37 1zcfG1 THR 197 HG23 0.04 0.01 -0.09 -0.04 1.22 1.14 1zcfG1 ARG 198 H 0.06 0.20 0.16 -0.55 8.46 8.32 1zcfG1 ARG 198 HA 0.06 0.18 1.01 -0.75 4.34 4.83 1zcfG1 ARG 198 HB2 0.04 -0.05 0.07 -0.04 1.90 1.92 1zcfG1 ARG 198 HB3 0.03 0.13 -0.04 -0.04 1.80 1.88 1zcfG1 ARG 198 HG2 0.02 0.08 0.00 -0.04 1.67 1.74 1zcfG1 ARG 198 HG3 0.04 -0.06 -0.23 -0.04 1.67 1.37 1zcfG1 ARG 198 HD2 0.02 -0.05 -0.03 -0.04 3.22 3.12 1zcfG1 ARG 198 HD3 0.02 0.05 -0.00 -0.04 3.22 3.25 1zcfG1 LEU 199 H 0.00 0.18 0.16 -0.55 8.37 8.17 1zcfG1 LEU 199 HA 0.11 -0.00 0.42 -0.75 4.35 4.12 1zcfG1 LEU 199 HB2 -0.09 -0.02 0.13 -0.04 1.64 1.62 1zcfG1 LEU 199 HB3 -0.19 0.08 0.15 -0.04 1.64 1.64 1zcfG1 LEU 199 HG -0.16 -0.03 -0.18 -0.04 1.64 1.23 1zcfG1 LEU 199 HD13 -0.28 -0.03 -0.04 -0.04 0.93 0.54 1zcfG1 LEU 199 HD23 -0.34 -0.01 -0.02 -0.04 0.89 0.48 1zcfG1 ASP 200 H 0.12 0.10 0.13 -0.55 8.40 8.20 1zcfG1 ASP 200 HA 0.04 0.26 0.95 -0.75 4.63 5.13 1zcfG1 ASP 200 HB2 0.06 0.07 0.07 -0.04 2.71 2.86 1zcfG1 ASP 200 HB3 0.08 -0.03 0.21 -0.04 2.70 2.91 1zcfG1 LYS 201 H 0.01 0.27 -0.28 -0.55 8.42 7.87 1zcfG1 LYS 201 HA -0.01 0.22 0.73 -0.75 4.32 4.50 1zcfG1 LYS 201 HB2 -0.05 -0.08 -0.12 -0.04 1.87 1.57 1zcfG1 LYS 201 HB3 -0.02 0.05 0.08 -0.04 1.79 1.85 1zcfG1 LYS 201 HG2 0.07 -0.09 -0.59 -0.04 1.46 0.81 1zcfG1 LYS 201 HG3 0.01 -0.04 -0.15 -0.04 1.46 1.24 1zcfG1 LYS 201 HD2 0.04 0.01 -0.19 -0.04 1.69 1.50 1zcfG1 LYS 201 HD3 0.04 0.18 0.11 -0.04 1.68 1.96 1zcfG1 LYS 201 HE2 0.11 -0.00 -0.06 -0.04 2.99 3.00 1zcfG1 LYS 201 HE3 0.12 -0.07 -0.12 -0.04 2.99 2.89 1zcfG1 VAL 202 H -0.18 0.42 0.23 -0.55 8.24 8.15 1zcfG1 VAL 202 HA -0.12 0.05 0.53 -0.75 4.13 3.84 1zcfG1 VAL 202 HB -0.61 -0.00 -0.17 -0.04 2.12 1.30 1zcfG1 VAL 202 HG13 -0.27 0.00 -0.04 -0.04 0.97 0.62 1zcfG1 VAL 202 HG23 -1.02 0.11 -0.01 -0.04 0.95 -0.02 1zcfG1 HIS 203 H -0.18 0.19 0.20 -0.55 8.41 8.07 1zcfG1 HIS 203 HA -0.00 0.23 0.70 -0.75 4.63 4.79 1zcfG1 HIS 203 HB2 -0.03 -0.04 0.20 -0.04 3.26 3.35 1zcfG1 HIS 203 HB3 -0.05 0.06 -0.32 -0.04 3.20 2.84 1zcfG1 HIS 203 HD2 -0.06 0.35 0.01 -0.04 6.97 7.23 1zcfG1 HIS 203 HE1 -0.02 -0.04 -0.27 -0.04 7.75 7.38 1zcfG1 THR 204 H 0.09 0.39 0.24 -0.55 8.28 8.45 1zcfG1 THR 204 HA 0.01 0.05 0.42 -0.75 4.39 4.11 1zcfG1 THR 204 HB -0.02 0.25 0.10 -0.04 4.32 4.60 1zcfG1 THR 204 HG23 0.15 -0.03 0.12 -0.04 1.22 1.42 1zcfG1 THR 205 H -0.17 0.03 0.17 -0.55 8.28 7.77 1zcfG1 THR 205 HA -0.05 0.21 0.48 -0.75 4.39 4.27 1zcfG1 THR 205 HB -0.06 0.01 0.06 -0.04 4.32 4.30 1zcfG1 THR 205 HG23 -0.05 0.05 -0.13 -0.04 1.22 1.05 1zcfG1 ARG 206 H -0.20 0.21 0.06 -0.55 8.46 7.97 1zcfG1 ARG 206 HA -0.09 0.08 0.43 -0.75 4.34 4.00 1zcfG1 ARG 206 HB2 -0.19 -0.04 0.08 -0.04 1.90 1.72 1zcfG1 ARG 206 HB3 -0.13 -0.03 0.07 -0.04 1.80 1.66 1zcfG1 ARG 206 HG2 -0.10 0.01 0.02 -0.04 1.67 1.56 1zcfG1 ARG 206 HG3 -0.16 -0.02 0.08 -0.04 1.67 1.53 1zcfG1 ARG 206 HD2 -0.12 0.00 0.03 -0.04 3.22 3.10 1zcfG1 ARG 206 HD3 -0.10 -0.01 0.01 -0.04 3.22 3.08 1zcfG1 SER 207 H -0.07 0.20 -0.88 -0.55 8.46 7.17 1zcfG1 SER 207 HA 0.03 -0.03 0.20 -0.75 4.49 3.95 1zcfG1 SER 207 HB2 0.10 -0.09 -0.20 -0.04 3.95 3.72 1zcfG1 SER 207 HB3 0.04 0.25 -0.19 -0.04 3.93 3.99 1zcfG1 VAL 208 H -0.13 0.07 0.06 -0.55 8.24 7.69 1zcfG1 VAL 208 HA -0.10 0.25 0.78 -0.75 4.13 4.31 1zcfG1 VAL 208 HB -0.18 -0.03 0.15 -0.04 2.12 2.02 1zcfG1 VAL 208 HG13 -0.12 0.02 -0.14 -0.04 0.97 0.69 1zcfG1 VAL 208 HG23 -0.56 -0.02 -0.09 -0.04 0.95 0.24 1zcfG1 PHE 209 H 0.02 0.14 -0.09 -0.55 8.34 7.86 1zcfG1 PHE 209 HA -0.04 0.18 0.91 -0.75 4.62 4.91 1zcfG1 PHE 209 HB2 -0.13 0.24 0.21 -0.04 3.15 3.43 1zcfG1 PHE 209 HB3 -0.14 -0.02 -0.02 -0.04 3.06 2.85 1zcfG1 PHE 209 HD2 -0.18 0.06 -0.01 -0.04 7.28 7.11 1zcfG1 PHE 209 HE2 -0.63 0.01 -0.09 -0.04 7.38 6.62 1zcfG1 PHE 209 HZ 0.21 -0.05 -0.08 -0.04 7.32 7.36 1zcfG1 ASP 210 H 0.11 0.32 0.14 -0.55 8.40 8.42 1zcfG1 ASP 210 HA 0.05 0.17 0.86 -0.75 4.63 4.96 1zcfG1 ASP 210 HB2 0.03 0.09 -0.24 -0.04 2.71 2.55 1zcfG1 ASP 210 HB3 0.03 0.01 0.00 -0.04 2.70 2.71 1zcfG1 VAL 211 H 0.05 0.17 0.12 -0.55 8.24 8.03 1zcfG1 VAL 211 HA 0.05 0.29 0.96 -0.75 4.13 4.68 1zcfG1 VAL 211 HB 0.07 -0.03 0.13 -0.04 2.12 2.26 1zcfG1 VAL 211 HG13 0.03 0.02 -0.22 -0.04 0.97 0.76 1zcfG1 VAL 211 HG23 0.12 0.01 -0.09 -0.04 0.95 0.95 1zcfG1 THR 212 H 0.04 0.12 0.04 -0.55 8.28 7.93 1zcfG1 THR 212 HA 0.03 0.08 0.33 -0.75 4.39 4.08 1zcfG1 THR 212 HB 0.02 0.03 0.10 -0.04 4.32 4.43 1zcfG1 THR 212 HG23 0.03 -0.00 0.08 -0.04 1.22 1.28 1zcfG1 ASN 213 H 0.03 -0.01 -0.85 -0.55 8.53 7.16 1zcfG1 ASN 213 HA 0.02 0.22 0.88 -0.75 4.76 5.12 1zcfG1 ASN 213 HB2 0.02 0.02 -0.01 -0.04 2.88 2.87 1zcfG1 ASN 213 HB3 0.02 -0.01 0.16 -0.04 2.79 2.92 1zcfG1 ASN 213 HD21 0.01 -0.01 -0.06 -0.04 7.03 6.94 1zcfG1 ASN 213 HD22 0.02 0.02 -0.03 -0.04 7.74 7.70 1zcfG1 VAL 214 H 0.04 0.72 -0.05 -0.55 8.24 8.40 1zcfG1 VAL 214 HA 0.03 0.14 0.99 -0.75 4.13 4.53 1zcfG1 VAL 214 HB 0.05 0.03 0.09 -0.04 2.12 2.25 1zcfG1 VAL 214 HG13 0.04 -0.02 -0.20 -0.04 0.97 0.75 1zcfG1 VAL 214 HG23 0.04 -0.03 -0.02 -0.04 0.95 0.90 1zcfG1 ASP 215 H 0.02 0.10 0.16 -0.55 8.40 8.14 1zcfG1 ASP 215 HA 0.02 0.21 0.87 -0.75 4.63 4.98 1zcfG1 ASP 215 HB2 0.02 -0.00 0.05 -0.04 2.71 2.73 1zcfG1 ASP 215 HB3 0.01 -0.02 0.04 -0.04 2.70 2.69 1zcfG1 LYS 216 H 0.02 0.16 0.16 -0.55 8.42 8.21 1zcfG1 LYS 216 HA 0.02 0.08 0.77 -0.75 4.32 4.44 1zcfG1 LYS 216 HB2 0.02 -0.05 -0.17 -0.04 1.87 1.63 1zcfG1 LYS 216 HB3 0.02 0.04 0.01 -0.04 1.79 1.81 1zcfG1 LYS 216 HG2 0.01 0.02 -0.02 -0.04 1.46 1.43 1zcfG1 LYS 216 HG3 0.02 0.01 0.08 -0.04 1.46 1.53 1zcfG1 LYS 216 HD2 0.01 0.04 0.05 -0.04 1.69 1.76 1zcfG1 LYS 216 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.59 1zcfG1 LYS 216 HE2 0.01 0.02 0.01 -0.04 2.99 2.98 1zcfG1 LYS 216 HE3 0.01 -0.02 0.03 -0.04 2.99 2.97 1zcfG1 LEU 217 H 0.03 0.05 0.08 -0.55 8.37 7.99 1zcfG1 LEU 217 HA 0.03 0.23 0.76 -0.75 4.35 4.62 1zcfG1 LEU 217 HB2 0.06 -0.13 0.03 -0.04 1.64 1.56 1zcfG1 LEU 217 HB3 0.05 0.15 0.03 -0.04 1.64 1.83 1zcfG1 LEU 217 HG 0.09 -0.06 -0.20 -0.04 1.64 1.42 1zcfG1 LEU 217 HD13 0.22 -0.03 -0.08 -0.04 0.93 1.01 1zcfG1 LEU 217 HD23 0.05 0.04 -0.10 -0.04 0.89 0.84 1zcfG1 PRO 218 HA 0.02 0.07 0.50 -0.51 4.44 4.52 1zcfG1 PRO 218 HB2 0.01 -0.04 -0.05 -0.04 2.28 2.16 1zcfG1 PRO 218 HB3 0.01 0.05 0.11 -0.04 2.02 2.15 1zcfG1 PRO 218 HG2 0.00 0.17 0.02 -0.04 2.03 2.18 1zcfG1 PRO 218 HG3 0.01 0.08 0.04 -0.04 2.03 2.12 1zcfG1 PRO 218 HD2 0.02 0.06 0.14 -0.04 3.68 3.85 1zcfG1 PRO 218 HD3 0.02 0.14 0.20 -0.04 3.65 3.97 1zcfG1 ALA 219 H 0.02 0.16 0.24 -0.55 8.40 8.28 1zcfG1 ALA 219 HA 0.03 0.13 0.82 -0.75 4.34 4.56 1zcfG1 ALA 219 HB3 0.03 0.02 0.12 -0.04 1.41 1.54 1zcfG1 VAL 220 H 0.03 0.23 0.18 -0.55 8.24 8.13 1zcfG1 VAL 220 HA 0.01 0.28 0.99 -0.75 4.13 4.65 1zcfG1 VAL 220 HB 0.03 0.01 -0.04 -0.04 2.12 2.07 1zcfG1 VAL 220 HG13 0.01 -0.02 -0.30 -0.04 0.97 0.62 1zcfG1 VAL 220 HG23 0.02 0.01 -0.30 -0.04 0.95 0.64 1zcfG1 ASP 221 H -0.01 0.47 0.24 -0.55 8.40 8.55 1zcfG1 ASP 221 HA 0.01 0.19 0.96 -0.75 4.63 5.04 1zcfG1 ASP 221 HB2 -0.03 0.03 0.06 -0.04 2.71 2.73 1zcfG1 ASP 221 HB3 -0.01 0.00 0.01 -0.04 2.70 2.66 1zcfG1 ILE 222 H 0.02 0.22 0.18 -0.55 8.25 8.12 1zcfG1 ILE 222 HA 0.03 0.29 1.00 -0.75 4.18 4.75 1zcfG1 ILE 222 HB 0.05 -0.04 0.12 -0.04 1.89 1.98 1zcfG1 ILE 222 HG12 0.04 0.05 -0.11 -0.04 1.49 1.44 1zcfG1 ILE 222 HG13 0.04 -0.05 -0.27 -0.04 1.21 0.89 1zcfG1 ILE 222 HG23 0.07 -0.01 -0.18 -0.04 0.93 0.77 1zcfG1 ILE 222 HD13 0.04 -0.01 -0.12 -0.04 0.88 0.74 1zcfG1 ILE 223 H 0.07 0.57 0.23 -0.55 8.25 8.57 1zcfG1 ILE 223 HA 0.14 0.17 1.07 -0.75 4.18 4.81 1zcfG1 ILE 223 HB 0.03 -0.02 -0.02 -0.04 1.89 1.83 1zcfG1 ILE 223 HG12 0.03 0.08 -0.17 -0.04 1.49 1.39 1zcfG1 ILE 223 HG13 -0.07 -0.06 -0.45 -0.04 1.21 0.58 1zcfG1 ILE 223 HG23 0.35 0.02 -0.13 -0.04 0.93 1.13 1zcfG1 ILE 223 HD13 -0.27 -0.00 -0.21 -0.04 0.88 0.36 1zcfG1 TYR 224 H 0.32 0.13 0.14 -0.55 8.29 8.32 1zcfG1 TYR 224 HA 0.04 0.21 0.58 -0.75 4.56 4.63 1zcfG1 TYR 224 HB2 0.10 0.01 0.11 -0.04 3.06 3.25 1zcfG1 TYR 224 HB3 0.34 -0.05 -0.02 -0.04 2.98 3.20 1zcfG1 TYR 224 HD2 0.05 -0.06 -0.10 -0.04 7.15 7.00 1zcfG1 TYR 224 HE2 -0.03 -0.01 -0.01 -0.04 6.85 6.75 1zcfG1 GLY 225 H -0.60 0.44 0.23 -0.55 8.43 7.95 1zcfG1 GLY 225 HA2 0.11 0.12 0.95 -0.51 4.01 4.67 1zcfG1 GLY 225 HA3 0.03 -0.01 0.35 -0.51 4.01 3.86 1zcfG1 TYR 226 H -0.32 0.16 0.11 -0.55 8.29 7.69 1zcfG1 TYR 226 HA -0.00 0.26 0.89 -0.75 4.56 4.95 1zcfG1 TYR 226 HB2 0.07 -0.11 0.11 -0.04 3.06 3.10 1zcfG1 TYR 226 HB3 0.15 0.13 -0.06 -0.04 2.98 3.16 1zcfG1 TYR 226 HD2 0.17 -0.09 -0.35 -0.04 7.15 6.85 1zcfG1 TYR 226 HE2 0.12 0.07 -0.11 -0.04 6.85 6.88 1zcfG1 GLN 227 H 0.20 0.19 0.13 -0.55 8.47 8.44 1zcfG1 GLN 227 HA 0.03 0.07 0.32 -0.75 4.36 4.03 1zcfG1 GLN 227 HB2 0.09 0.00 0.16 -0.04 2.15 2.36 1zcfG1 GLN 227 HB3 0.09 0.03 0.01 -0.04 2.02 2.11 1zcfG1 GLN 227 HG2 0.03 0.02 0.03 -0.04 2.40 2.45 1zcfG1 GLN 227 HG3 0.03 -0.00 0.12 -0.04 2.39 2.49 1zcfG1 GLN 227 HE21 0.02 0.02 0.02 -0.04 6.97 6.99 1zcfG1 GLN 227 HE22 0.02 -0.01 0.02 -0.04 7.69 7.69 1zcfG1 ASP 228 H 0.10 0.02 -0.48 -0.55 8.40 7.49 1zcfG1 ASP 228 HA -0.05 0.19 0.75 -0.75 4.63 4.76 1zcfG1 ASP 228 HB2 0.10 -0.03 0.05 -0.04 2.71 2.78 1zcfG1 ASP 228 HB3 0.02 0.01 0.13 -0.04 2.70 2.82 1zcfG1 ASP 229 H -0.28 0.27 -0.01 -0.55 8.40 7.83 1zcfG1 ASP 229 HA -0.60 0.17 0.56 -0.75 4.63 4.00 1zcfG1 ASP 229 HB2 -0.36 0.14 0.00 -0.04 2.71 2.45 1zcfG1 ASP 229 HB3 -0.88 -0.14 0.13 -0.04 2.70 1.77 1zcfG1 PRO 230 HA -0.26 0.07 0.62 -0.51 4.44 4.35 1zcfG1 PRO 230 HB2 -1.62 -0.09 -0.05 -0.04 2.28 0.49 1zcfG1 PRO 230 HB3 -0.46 0.11 0.08 -0.04 2.02 1.72 1zcfG1 PRO 230 HG2 -0.39 -0.03 0.09 -0.04 2.03 1.66 1zcfG1 PRO 230 HG3 -0.32 0.10 0.06 -0.04 2.03 1.82 1zcfG1 PRO 230 HD2 -0.28 0.08 0.24 -0.04 3.68 3.68 1zcfG1 PRO 230 HD3 -0.16 0.29 0.24 -0.04 3.65 3.99 1zcfG1 GLU 231 H -0.20 0.18 0.20 -0.55 8.60 8.24 1zcfG1 GLU 231 HA -0.41 0.18 0.52 -0.75 4.29 3.83 1zcfG1 GLU 231 HB2 -0.05 -0.03 0.16 -0.04 2.09 2.14 1zcfG1 GLU 231 HB3 -0.12 0.04 0.08 -0.04 1.99 1.95 1zcfG1 GLU 231 HG2 -0.19 0.07 0.15 -0.04 2.34 2.33 1zcfG1 GLU 231 HG3 -0.12 -0.02 0.15 -0.04 2.34 2.31 1zcfG1 TYR 232 H 0.00 0.12 0.03 -0.55 8.29 7.90 1zcfG1 TYR 232 HA 0.00 0.04 0.32 -0.75 4.56 4.17 1zcfG1 TYR 232 HB2 0.01 0.06 0.13 -0.04 3.06 3.22 1zcfG1 TYR 232 HB3 -0.01 0.02 0.13 -0.04 2.98 3.08 1zcfG1 TYR 232 HD2 0.00 -0.00 -0.12 -0.04 7.15 6.99 1zcfG1 TYR 232 HE2 0.02 0.04 -0.03 -0.04 6.85 6.83 1zcfG1 MET 233 H -0.19 0.18 -1.29 -0.55 8.47 6.63 1zcfG1 MET 233 HA 0.08 0.10 0.50 -0.75 4.52 4.45 1zcfG1 MET 233 HB2 -0.16 0.04 0.01 -0.04 2.15 1.99 1zcfG1 MET 233 HB3 0.22 0.05 -0.04 -0.04 2.03 2.22 1zcfG1 MET 233 HG2 0.11 -0.00 0.02 -0.04 2.63 2.71 1zcfG1 MET 233 HG3 0.10 0.01 0.04 -0.04 2.56 2.66 1zcfG1 MET 233 HE3 0.11 0.00 0.01 -0.04 2.10 2.19 1zcfG1 TYR 234 H 0.22 0.65 0.15 -0.55 8.29 8.76 1zcfG1 TYR 234 HA -0.02 0.10 0.44 -0.75 4.56 4.33 1zcfG1 TYR 234 HB2 -0.04 0.07 0.19 -0.04 3.06 3.23 1zcfG1 TYR 234 HB3 -0.03 0.05 -0.06 -0.04 2.98 2.90 1zcfG1 TYR 234 HD2 -0.06 -0.12 -0.24 -0.04 7.15 6.69 1zcfG1 TYR 234 HE2 -0.10 0.02 -0.07 -0.04 6.85 6.66 1zcfG1 ASP 235 H 0.13 0.16 -0.14 -0.55 8.40 8.00 1zcfG1 ASP 235 HA 0.06 0.08 0.32 -0.75 4.63 4.33 1zcfG1 ASP 235 HB2 0.09 0.06 0.07 -0.04 2.71 2.89 1zcfG1 ASP 235 HB3 0.06 0.05 -0.03 -0.04 2.70 2.73 1zcfG1 ALA 236 H 0.05 0.29 -0.29 -0.55 8.40 7.91 1zcfG1 ALA 236 HA -0.14 0.00 0.28 -0.75 4.34 3.73 1zcfG1 ALA 236 HB3 -0.06 0.05 0.03 -0.04 1.41 1.40 1zcfG1 SER 237 H -0.04 0.28 -0.43 -0.55 8.46 7.72 1zcfG1 SER 237 HA -0.09 0.05 0.42 -0.75 4.49 4.11 1zcfG1 SER 237 HB2 -0.07 0.12 0.07 -0.04 3.95 4.04 1zcfG1 SER 237 HB3 -0.05 -0.01 -0.03 -0.04 3.93 3.80 1zcfG1 ILE 238 H -0.01 0.41 -0.07 -0.55 8.25 8.04 1zcfG1 ILE 238 HA 0.01 0.07 0.44 -0.75 4.18 3.94 1zcfG1 ILE 238 HB 0.03 -0.05 0.20 -0.04 1.89 2.03 1zcfG1 ILE 238 HG12 0.01 0.02 -0.07 -0.04 1.49 1.41 1zcfG1 ILE 238 HG13 0.03 0.35 -0.12 -0.04 1.21 1.43 1zcfG1 ILE 238 HG23 0.03 0.00 -0.08 -0.04 0.93 0.84 1zcfG1 ILE 238 HD13 0.05 -0.03 -0.17 -0.04 0.88 0.68 1zcfG1 LYS 239 H 0.03 0.70 0.05 -0.55 8.42 8.64 1zcfG1 LYS 239 HA 0.09 -0.02 0.30 -0.75 4.32 3.93 1zcfG1 LYS 239 HB2 0.08 0.11 -0.00 -0.04 1.87 2.02 1zcfG1 LYS 239 HB3 0.25 -0.03 -0.04 -0.04 1.79 1.93 1zcfG1 LYS 239 HG2 0.07 -0.01 -0.00 -0.04 1.46 1.47 1zcfG1 LYS 239 HG3 0.05 -0.02 -0.11 -0.04 1.46 1.35 1zcfG1 LYS 239 HD2 0.05 -0.06 -0.08 -0.04 1.69 1.56 1zcfG1 LYS 239 HD3 0.04 -0.04 -0.16 -0.04 1.68 1.48 1zcfG1 LYS 239 HE2 0.20 0.07 -0.05 -0.04 2.99 3.17 1zcfG1 LYS 239 HE3 0.09 -0.01 -0.03 -0.04 2.99 3.00 1zcfG1 HIS 240 H 0.12 0.26 -0.82 -0.55 8.41 7.43 1zcfG1 HIS 240 HA 0.01 0.09 0.74 -0.75 4.63 4.72 1zcfG1 HIS 240 HB2 0.02 0.06 0.06 -0.04 3.26 3.35 1zcfG1 HIS 240 HB3 0.01 -0.07 0.14 -0.04 3.20 3.24 1zcfG1 HIS 240 HD2 0.02 -0.05 -0.02 -0.04 6.97 6.88 1zcfG1 HIS 240 HE1 0.02 -0.08 -0.05 -0.04 7.75 7.60 1zcfG1 GLY 241 H 0.08 0.62 -0.29 -0.55 8.43 8.29 1zcfG1 GLY 241 HA2 0.04 0.06 0.40 -0.51 4.01 4.00 1zcfG1 GLY 241 HA3 0.04 -0.10 0.33 -0.51 4.01 3.78 1zcfG1 VAL 242 H 0.02 0.23 0.04 -0.55 8.24 7.98 1zcfG1 VAL 242 HA 0.02 0.07 0.81 -0.75 4.13 4.28 1zcfG1 VAL 242 HB 0.01 0.08 0.09 -0.04 2.12 2.26 1zcfG1 VAL 242 HG13 0.03 0.03 -0.06 -0.04 0.97 0.93 1zcfG1 VAL 242 HG23 -0.02 -0.02 -0.20 -0.04 0.95 0.67 1zcfG1 LYS 243 H 0.01 0.20 0.31 -0.55 8.42 8.39 1zcfG1 LYS 243 HA -0.00 0.14 0.54 -0.75 4.32 4.25 1zcfG1 LYS 243 HB2 0.00 -0.04 0.10 -0.04 1.87 1.89 1zcfG1 LYS 243 HB3 -0.00 0.01 0.04 -0.04 1.79 1.79 1zcfG1 LYS 243 HG2 0.01 -0.05 0.15 -0.04 1.46 1.53 1zcfG1 LYS 243 HG3 0.01 -0.02 0.10 -0.04 1.46 1.50 1zcfG1 LYS 243 HD2 0.00 0.02 0.07 -0.04 1.69 1.75 1zcfG1 LYS 243 HD3 0.00 0.07 0.01 -0.04 1.68 1.73 1zcfG1 LYS 243 HE2 0.01 0.01 0.03 -0.04 2.99 2.99 1zcfG1 LYS 243 HE3 0.01 -0.01 0.04 -0.04 2.99 2.98 1zcfG1 GLY 244 H -0.00 0.25 0.13 -0.55 8.43 8.27 1zcfG1 GLY 244 HA2 -0.03 0.36 0.88 -0.51 4.01 4.71 1zcfG1 GLY 244 HA3 -0.01 -0.07 0.23 -0.51 4.01 3.65 1zcfG1 ILE 245 H -0.04 0.44 0.25 -0.55 8.25 8.35 1zcfG1 ILE 245 HA -0.04 0.19 0.84 -0.75 4.18 4.42 1zcfG1 ILE 245 HB -0.12 -0.07 -0.04 -0.04 1.89 1.62 1zcfG1 ILE 245 HG12 -0.09 0.07 -0.27 -0.04 1.49 1.16 1zcfG1 ILE 245 HG13 -0.07 0.02 -0.59 -0.04 1.21 0.53 1zcfG1 ILE 245 HG23 -0.18 -0.03 -0.16 -0.04 0.93 0.52 1zcfG1 ILE 245 HD13 -0.18 -0.01 -0.18 -0.04 0.88 0.46 1zcfG1 VAL 246 H 0.00 0.84 0.36 -0.55 8.24 8.89 1zcfG1 VAL 246 HA 0.03 0.23 1.00 -0.75 4.13 4.63 1zcfG1 VAL 246 HB 0.04 -0.03 0.08 -0.04 2.12 2.16 1zcfG1 VAL 246 HG13 0.05 -0.00 -0.23 -0.04 0.97 0.75 1zcfG1 VAL 246 HG23 0.06 -0.01 -0.33 -0.04 0.95 0.63 1zcfG1 TYR 247 H 0.12 0.81 0.31 -0.55 8.29 8.99 1zcfG1 TYR 247 HA -0.02 0.16 0.82 -0.75 4.56 4.77 1zcfG1 TYR 247 HB2 -0.03 -0.03 -0.05 -0.04 3.06 2.91 1zcfG1 TYR 247 HB3 -0.02 0.05 0.13 -0.04 2.98 3.10 1zcfG1 TYR 247 HD2 0.02 0.11 -0.11 -0.04 7.15 7.12 1zcfG1 TYR 247 HE2 -0.00 0.12 -0.36 -0.04 6.85 6.57 1zcfG1 ALA 248 H -0.17 0.58 0.12 -0.55 8.40 8.39 1zcfG1 ALA 248 HA -0.21 0.11 0.40 -0.75 4.34 3.89 1zcfG1 ALA 248 HB3 -0.04 -0.02 -0.03 -0.04 1.41 1.28 1zcfG1 GLY 249 H -0.56 0.66 0.05 -0.55 8.43 8.04 1zcfG1 GLY 249 HA2 -0.85 0.03 0.64 -0.51 4.01 3.32 1zcfG1 GLY 249 HA3 -0.67 0.11 0.22 -0.51 4.01 3.16 1zcfG1 MET 250 H -0.10 0.17 0.14 -0.55 8.47 8.13 1zcfG1 MET 250 HA -0.11 0.01 0.55 -0.75 4.52 4.22 1zcfG1 MET 250 HB2 -0.01 -0.00 -0.01 -0.04 2.15 2.08 1zcfG1 MET 250 HB3 -0.04 0.10 0.11 -0.04 2.03 2.16 1zcfG1 MET 250 HG2 0.03 0.07 0.11 -0.04 2.63 2.80 1zcfG1 MET 250 HG3 0.02 -0.02 -0.06 -0.04 2.56 2.45 1zcfG1 MET 250 HE3 0.05 0.01 -0.18 -0.04 2.10 1.94 1zcfG1 GLY 251 H -0.05 0.10 0.24 -0.55 8.43 8.19 1zcfG1 GLY 251 HA2 -0.02 0.06 0.37 -0.51 4.01 3.91 1zcfG1 GLY 251 HA3 -0.01 0.06 0.51 -0.51 4.01 4.06 1zcfG1 ALA 252 H 0.00 0.14 0.13 -0.55 8.40 8.12 1zcfG1 ALA 252 HA -0.00 0.13 0.37 -0.75 4.34 4.09 1zcfG1 ALA 252 HB3 0.01 0.02 0.15 -0.04 1.41 1.56 1zcfG1 GLY 253 H -0.03 0.31 -1.14 -0.55 8.43 7.03 1zcfG1 GLY 253 HA2 -0.03 -0.11 0.11 -0.51 4.01 3.47 1zcfG1 GLY 253 HA3 0.06 0.10 0.28 -0.51 4.01 3.94 1zcfG1 SER 254 H 0.05 0.22 -0.25 -0.55 8.46 7.93 1zcfG1 SER 254 HA 0.06 0.14 0.40 -0.75 4.49 4.33 1zcfG1 SER 254 HB2 0.03 -0.02 -0.03 -0.04 3.95 3.89 1zcfG1 SER 254 HB3 0.02 0.00 0.03 -0.04 3.93 3.94 1zcfG1 VAL 255 H 0.01 0.20 0.14 -0.55 8.24 8.04 1zcfG1 VAL 255 HA 0.02 0.18 0.98 -0.75 4.13 4.56 1zcfG1 VAL 255 HB -0.15 -0.23 0.06 -0.04 2.12 1.75 1zcfG1 VAL 255 HG13 -0.28 0.07 -0.25 -0.04 0.97 0.47 1zcfG1 VAL 255 HG23 -0.05 0.03 -0.03 -0.04 0.95 0.85 1zcfG1 SER 256 H -0.08 0.03 0.19 -0.55 8.46 8.06 1zcfG1 SER 256 HA -0.04 0.32 0.83 -0.75 4.49 4.84 1zcfG1 SER 256 HB2 -0.06 0.00 0.20 -0.04 3.95 4.05 1zcfG1 SER 256 HB3 -0.04 0.15 0.05 -0.04 3.93 4.04 1zcfG1 LYS 257 H -0.05 0.25 0.17 -0.55 8.42 8.23 1zcfG1 LYS 257 HA -0.06 0.14 0.37 -0.75 4.32 4.01 1zcfG1 LYS 257 HB2 -0.05 0.00 0.09 -0.04 1.87 1.87 1zcfG1 LYS 257 HB3 -0.05 0.06 0.11 -0.04 1.79 1.87 1zcfG1 LYS 257 HG2 -0.03 0.05 0.06 -0.04 1.46 1.50 1zcfG1 LYS 257 HG3 -0.03 -0.02 0.11 -0.04 1.46 1.48 1zcfG1 LYS 257 HD2 -0.03 0.02 0.04 -0.04 1.69 1.68 1zcfG1 LYS 257 HD3 -0.02 0.04 0.03 -0.04 1.68 1.69 1zcfG1 LYS 257 HE2 -0.02 0.00 0.04 -0.04 2.99 2.96 1zcfG1 LYS 257 HE3 -0.03 -0.03 0.02 -0.04 2.99 2.91 1zcfG1 ARG 258 H -0.12 -0.02 -0.48 -0.55 8.46 7.29 1zcfG1 ARG 258 HA -0.14 0.20 0.76 -0.75 4.34 4.40 1zcfG1 ARG 258 HB2 -0.17 0.01 0.04 -0.04 1.90 1.74 1zcfG1 ARG 258 HB3 -0.24 -0.00 -0.08 -0.04 1.80 1.44 1zcfG1 ARG 258 HG2 -0.12 -0.08 0.06 -0.04 1.67 1.49 1zcfG1 ARG 258 HG3 -0.09 -0.01 -0.11 -0.04 1.67 1.42 1zcfG1 ARG 258 HD2 -0.13 0.40 0.07 -0.04 3.22 3.51 1zcfG1 ARG 258 HD3 -0.07 -0.01 -0.00 -0.04 3.22 3.09 1zcfG1 GLY 259 H -0.18 0.05 -0.08 -0.55 8.43 7.68 1zcfG1 GLY 259 HA2 -0.42 0.14 0.54 -0.51 4.01 3.76 1zcfG1 GLY 259 HA3 -0.26 0.02 0.32 -0.51 4.01 3.58 1zcfG1 ASP 260 H -0.12 0.57 0.03 -0.55 8.40 8.34 1zcfG1 ASP 260 HA -0.08 0.07 0.30 -0.75 4.63 4.17 1zcfG1 ASP 260 HB2 -0.06 0.02 -0.00 -0.04 2.71 2.62 1zcfG1 ASP 260 HB3 -0.07 0.00 -0.05 -0.04 2.70 2.55 1zcfG1 ALA 261 H -0.11 0.03 -0.85 -0.55 8.40 6.92 1zcfG1 ALA 261 HA -0.05 0.09 0.44 -0.75 4.34 4.07 1zcfG1 ALA 261 HB3 -0.09 0.04 0.07 -0.04 1.41 1.40 1zcfG1 GLY 262 H -0.21 0.46 -0.01 -0.55 8.43 8.13 1zcfG1 GLY 262 HA2 -0.01 -0.01 0.38 -0.51 4.01 3.86 1zcfG1 GLY 262 HA3 -0.17 0.04 0.36 -0.51 4.01 3.73 1zcfG1 ILE 263 H 0.05 0.59 -0.17 -0.55 8.25 8.18 1zcfG1 ILE 263 HA 0.07 0.01 0.24 -0.75 4.18 3.75 1zcfG1 ILE 263 HB -0.02 0.07 0.02 -0.04 1.89 1.91 1zcfG1 ILE 263 HG12 0.05 0.22 0.01 -0.04 1.49 1.73 1zcfG1 ILE 263 HG13 -0.11 -0.03 -0.19 -0.04 1.21 0.83 1zcfG1 ILE 263 HG23 -0.03 -0.00 -0.19 -0.04 0.93 0.66 1zcfG1 ILE 263 HD13 -0.06 -0.01 -0.12 -0.04 0.88 0.64 1zcfG1 ARG 264 H -0.01 0.38 -0.19 -0.55 8.46 8.09 1zcfG1 ARG 264 HA -0.01 -0.02 0.43 -0.75 4.34 3.99 1zcfG1 ARG 264 HB2 -0.01 0.07 0.16 -0.04 1.90 2.08 1zcfG1 ARG 264 HB3 -0.01 -0.04 0.04 -0.04 1.80 1.75 1zcfG1 ARG 264 HG2 -0.02 -0.07 0.08 -0.04 1.67 1.62 1zcfG1 ARG 264 HG3 -0.02 0.29 0.19 -0.04 1.67 2.09 1zcfG1 ARG 264 HD2 -0.02 -0.02 0.04 -0.04 3.22 3.18 1zcfG1 ARG 264 HD3 -0.02 -0.04 0.02 -0.04 3.22 3.15 1zcfG1 LYS 265 H 0.00 0.49 -0.10 -0.55 8.42 8.26 1zcfG1 LYS 265 HA 0.01 -0.05 0.33 -0.75 4.32 3.86 1zcfG1 LYS 265 HB2 0.01 0.00 0.11 -0.04 1.87 1.95 1zcfG1 LYS 265 HB3 0.04 0.26 0.23 -0.04 1.79 2.29 1zcfG1 LYS 265 HG2 0.03 0.04 -0.17 -0.04 1.46 1.31 1zcfG1 LYS 265 HG3 0.01 -0.03 0.01 -0.04 1.46 1.40 1zcfG1 LYS 265 HD2 0.05 -0.04 -0.05 -0.04 1.69 1.61 1zcfG1 LYS 265 HD3 0.03 -0.03 -0.05 -0.04 1.68 1.59 1zcfG1 LYS 265 HE2 0.00 0.02 -0.04 -0.04 2.99 2.93 1zcfG1 LYS 265 HE3 -0.01 0.04 -0.09 -0.04 2.99 2.88 1zcfG1 ALA 266 H 0.04 0.59 -0.20 -0.55 8.40 8.29 1zcfG1 ALA 266 HA 0.01 -0.01 0.34 -0.75 4.34 3.93 1zcfG1 ALA 266 HB3 -0.00 -0.01 -0.05 -0.04 1.41 1.31 1zcfG1 GLU 267 H -0.00 0.68 0.07 -0.55 8.60 8.80 1zcfG1 GLU 267 HA -0.02 0.44 0.49 -0.75 4.29 4.45 1zcfG1 GLU 267 HB2 -0.01 -0.03 0.26 -0.04 2.09 2.27 1zcfG1 GLU 267 HB3 -0.02 -0.06 0.05 -0.04 1.99 1.92 1zcfG1 GLU 267 HG2 -0.03 0.04 0.08 -0.04 2.34 2.39 1zcfG1 GLU 267 HG3 -0.02 0.17 -0.05 -0.04 2.34 2.41 1zcfG1 SER 268 H -0.00 0.54 0.02 -0.55 8.46 8.47 1zcfG1 SER 268 HA -0.01 -0.03 0.38 -0.75 4.49 4.08 1zcfG1 SER 268 HB2 -0.00 -0.07 0.06 -0.04 3.95 3.90 1zcfG1 SER 268 HB3 -0.00 -0.06 0.11 -0.04 3.93 3.93 1zcfG1 LYS 269 H 0.00 0.36 -0.35 -0.55 8.42 7.88 1zcfG1 LYS 269 HA 0.00 -0.03 0.41 -0.75 4.32 3.95 1zcfG1 LYS 269 HB2 0.01 -0.02 0.13 -0.04 1.87 1.95 1zcfG1 LYS 269 HB3 0.01 0.15 0.11 -0.04 1.79 2.01 1zcfG1 LYS 269 HG2 0.01 -0.07 0.04 -0.04 1.46 1.41 1zcfG1 LYS 269 HG3 0.01 0.04 0.18 -0.04 1.46 1.65 1zcfG1 LYS 269 HD2 0.01 0.02 0.09 -0.04 1.69 1.77 1zcfG1 LYS 269 HD3 0.01 -0.04 0.04 -0.04 1.68 1.65 1zcfG1 LYS 269 HE2 0.01 -0.05 0.01 -0.04 2.99 2.93 1zcfG1 LYS 269 HE3 0.02 -0.05 -0.01 -0.04 2.99 2.90 1zcfG1 GLY 270 H -0.00 0.34 -0.95 -0.55 8.43 7.26 1zcfG1 GLY 270 HA2 -0.01 -0.07 0.32 -0.51 4.01 3.74 1zcfG1 GLY 270 HA3 -0.00 -0.00 0.57 -0.51 4.01 4.07 1zcfG1 ILE 271 H -0.01 0.40 -0.00 -0.55 8.25 8.09 1zcfG1 ILE 271 HA -0.02 0.24 0.94 -0.75 4.18 4.59 1zcfG1 ILE 271 HB -0.02 -0.13 -0.23 -0.04 1.89 1.47 1zcfG1 ILE 271 HG12 -0.01 0.17 -0.10 -0.04 1.49 1.51 1zcfG1 ILE 271 HG13 -0.00 -0.00 -0.28 -0.04 1.21 0.89 1zcfG1 ILE 271 HG23 -0.03 0.08 -0.26 -0.04 0.93 0.68 1zcfG1 ILE 271 HD13 -0.00 -0.06 -0.06 -0.04 0.88 0.71 1zcfG1 VAL 272 H -0.03 0.41 0.31 -0.55 8.24 8.38 1zcfG1 VAL 272 HA -0.04 0.09 0.70 -0.75 4.13 4.12 1zcfG1 VAL 272 HB -0.06 -0.09 -0.02 -0.04 2.12 1.91 1zcfG1 VAL 272 HG13 -0.04 0.02 -0.02 -0.04 0.97 0.89 1zcfG1 VAL 272 HG23 -0.03 0.03 0.00 -0.04 0.95 0.91 1zcfG1 VAL 273 H -0.06 0.15 0.20 -0.55 8.24 7.99 1zcfG1 VAL 273 HA -0.05 0.26 1.03 -0.75 4.13 4.62 1zcfG1 VAL 273 HB -0.04 -0.11 0.08 -0.04 2.12 2.00 1zcfG1 VAL 273 HG13 -0.05 0.00 -0.13 -0.04 0.97 0.75 1zcfG1 VAL 273 HG23 -0.05 0.05 -0.32 -0.04 0.95 0.59 1zcfG1 VAL 274 H -0.04 0.59 0.32 -0.55 8.24 8.56 1zcfG1 VAL 274 HA -0.11 0.21 0.86 -0.75 4.13 4.34 1zcfG1 VAL 274 HB -0.06 -0.04 -0.03 -0.04 2.12 1.95 1zcfG1 VAL 274 HG13 -0.24 -0.00 -0.35 -0.04 0.97 0.34 1zcfG1 VAL 274 HG23 -0.31 -0.00 -0.29 -0.04 0.95 0.30 1zcfG1 ARG 275 H -0.04 0.37 0.14 -0.55 8.46 8.38 1zcfG1 ARG 275 HA 0.12 0.14 1.04 -0.75 4.34 4.88 1zcfG1 ARG 275 HB2 0.04 0.05 0.23 -0.04 1.90 2.18 1zcfG1 ARG 275 HB3 0.13 0.05 0.08 -0.04 1.80 2.03 1zcfG1 ARG 275 HG2 0.16 -0.10 -0.11 -0.04 1.67 1.58 1zcfG1 ARG 275 HG3 0.04 -0.15 -0.22 -0.04 1.67 1.29 1zcfG1 ARG 275 HD2 0.01 -0.10 -0.18 -0.04 3.22 2.91 1zcfG1 ARG 275 HD3 0.01 0.30 -0.09 -0.04 3.22 3.40 1zcfG1 SER 276 H -0.02 0.77 0.40 -0.55 8.46 9.07 1zcfG1 SER 276 HA 0.01 0.18 0.69 -0.75 4.49 4.62 1zcfG1 SER 276 HB2 0.02 0.12 0.14 -0.04 3.95 4.19 1zcfG1 SER 276 HB3 0.05 -0.06 -0.18 -0.04 3.93 3.71 1zcfG1 SER 277 H -0.02 0.18 0.11 -0.55 8.46 8.18 1zcfG1 SER 277 HA -0.12 0.36 1.18 -0.75 4.49 5.16 1zcfG1 SER 277 HB2 -0.05 0.23 0.23 -0.04 3.95 4.32 1zcfG1 SER 277 HB3 -0.03 0.07 -0.03 -0.04 3.93 3.90 1zcfG1 ARG 278 H -0.13 0.52 0.22 -0.55 8.46 8.52 1zcfG1 ARG 278 HA -0.02 0.11 0.57 -0.75 4.34 4.25 1zcfG1 ARG 278 HB2 -0.07 -0.02 0.10 -0.04 1.90 1.88 1zcfG1 ARG 278 HB3 -0.41 0.09 -0.15 -0.04 1.80 1.29 1zcfG1 ARG 278 HG2 -0.18 0.32 -0.08 -0.04 1.67 1.69 1zcfG1 ARG 278 HG3 -0.08 -0.03 -0.17 -0.04 1.67 1.36 1zcfG1 ARG 278 HD2 -0.39 -0.02 -0.01 -0.04 3.22 2.77 1zcfG1 ARG 278 HD3 -0.30 0.06 -0.12 -0.04 3.22 2.83 1zcfG1 THR 279 H -0.03 0.03 -0.21 -0.55 8.28 7.52 1zcfG1 THR 279 HA -0.00 0.11 0.55 -0.75 4.39 4.30 1zcfG1 THR 279 HB -0.01 0.03 0.07 -0.04 4.32 4.36 1zcfG1 THR 279 HG23 -0.03 -0.03 0.11 -0.04 1.22 1.23 1zcfG1 GLY 280 H -0.01 0.07 -0.06 -0.55 8.43 7.89 1zcfG1 GLY 280 HA2 0.01 0.01 0.22 -0.51 4.01 3.74 1zcfG1 GLY 280 HA3 0.00 0.24 0.87 -0.51 4.01 4.62 1zcfG1 SER 281 H -0.01 0.19 0.08 -0.55 8.46 8.18 1zcfG1 SER 281 HA -0.01 0.14 0.41 -0.75 4.49 4.28 1zcfG1 SER 281 HB2 -0.03 -0.08 0.10 -0.04 3.95 3.90 1zcfG1 SER 281 HB3 -0.02 0.20 0.04 -0.04 3.93 4.11 1zcfG1 GLY 282 H -0.01 0.11 0.11 -0.55 8.43 8.09 1zcfG1 GLY 282 HA2 -0.01 0.02 0.35 -0.51 4.01 3.86 1zcfG1 GLY 282 HA3 -0.00 0.17 0.71 -0.51 4.01 4.37 1zcfG1 ILE 283 H 0.01 0.09 0.14 -0.55 8.25 7.94 1zcfG1 ILE 283 HA 0.03 0.41 0.91 -0.75 4.18 4.78 1zcfG1 ILE 283 HB 0.03 -0.07 0.06 -0.04 1.89 1.86 1zcfG1 ILE 283 HG12 0.06 0.05 -0.20 -0.04 1.49 1.35 1zcfG1 ILE 283 HG13 0.03 -0.14 -0.20 -0.04 1.21 0.86 1zcfG1 ILE 283 HG23 0.06 0.01 -0.35 -0.04 0.93 0.60 1zcfG1 ILE 283 HD13 0.04 0.01 -0.05 -0.04 0.88 0.83 1zcfG1 VAL 284 H 0.04 0.52 0.13 -0.55 8.24 8.39 1zcfG1 VAL 284 HA 0.02 0.07 0.78 -0.75 4.13 4.25 1zcfG1 VAL 284 HB 0.03 0.08 0.08 -0.04 2.12 2.27 1zcfG1 VAL 284 HG13 0.02 -0.00 -0.18 -0.04 0.97 0.77 1zcfG1 VAL 284 HG23 0.02 -0.02 -0.16 -0.04 0.95 0.75 1zcfG1 PRO 285 HA 0.07 0.09 0.49 -0.51 4.44 4.58 1zcfG1 PRO 285 HB2 0.03 0.11 0.05 -0.04 2.28 2.43 1zcfG1 PRO 285 HB3 0.03 -0.05 0.06 -0.04 2.02 2.02 1zcfG1 PRO 285 HG2 0.03 0.05 0.01 -0.04 2.03 2.07 1zcfG1 PRO 285 HG3 0.02 -0.04 0.05 -0.04 2.03 2.02 1zcfG1 PRO 285 HD2 0.02 0.05 0.25 -0.04 3.68 3.96 1zcfG1 PRO 285 HD3 0.03 0.23 0.07 -0.04 3.65 3.93 1zcfG1 PRO 286 HA 0.05 0.12 0.50 -0.51 4.44 4.60 1zcfG1 PRO 286 HB2 0.04 -0.04 0.03 -0.04 2.28 2.27 1zcfG1 PRO 286 HB3 0.07 0.00 0.10 -0.04 2.02 2.14 1zcfG1 PRO 286 HG2 0.08 0.01 0.08 -0.04 2.03 2.15 1zcfG1 PRO 286 HG3 0.18 0.13 0.07 -0.04 2.03 2.36 1zcfG1 PRO 286 HD2 0.05 0.04 0.21 -0.04 3.68 3.94 1zcfG1 PRO 286 HD3 0.10 0.15 0.22 -0.04 3.65 4.09 1zcfG1 ASP 287 H 0.02 0.22 0.07 -0.55 8.40 8.17 1zcfG1 ASP 287 HA 0.02 -0.00 0.46 -0.75 4.63 4.35 1zcfG1 ASP 287 HB2 0.02 0.25 -0.10 -0.04 2.71 2.83 1zcfG1 ASP 287 HB3 0.02 0.08 0.03 -0.04 2.70 2.79 1zcfG1 ALA 288 H 0.01 0.17 0.06 -0.55 8.40 8.09 1zcfG1 ALA 288 HA 0.00 0.25 0.55 -0.75 4.34 4.39 1zcfG1 ALA 288 HB3 0.00 0.00 0.14 -0.04 1.41 1.51 1zcfG1 GLY 289 H 0.00 0.16 -0.79 -0.55 8.43 7.26 1zcfG1 GLY 289 HA2 -0.00 0.17 0.84 -0.51 4.01 4.51 1zcfG1 GLY 289 HA3 -0.00 -0.04 0.22 -0.51 4.01 3.68 1zcfG1 GLN 290 H -0.00 0.30 0.13 -0.55 8.47 8.35 1zcfG1 GLN 290 HA -0.01 0.12 0.91 -0.75 4.36 4.62 1zcfG1 GLN 290 HB2 0.00 0.15 0.08 -0.04 2.15 2.33 1zcfG1 GLN 290 HB3 -0.01 -0.04 0.04 -0.04 2.02 1.97 1zcfG1 GLN 290 HG2 -0.01 0.00 -0.13 -0.04 2.40 2.22 1zcfG1 GLN 290 HG3 0.00 -0.15 -0.23 -0.04 2.39 1.97 1zcfG1 GLN 290 HE21 0.02 0.01 -0.08 -0.04 6.97 6.87 1zcfG1 GLN 290 HE22 0.01 -0.04 -0.06 -0.04 7.69 7.56 1zcfG1 PRO 291 HA -0.02 0.06 0.31 -0.51 4.44 4.28 1zcfG1 PRO 291 HB2 -0.04 -0.02 -0.02 -0.04 2.28 2.17 1zcfG1 PRO 291 HB3 -0.02 -0.05 0.10 -0.04 2.02 2.01 1zcfG1 PRO 291 HG2 -0.04 0.05 0.12 -0.04 2.03 2.11 1zcfG1 PRO 291 HG3 -0.02 0.06 0.07 -0.04 2.03 2.09 1zcfG1 PRO 291 HD2 -0.04 0.03 0.15 -0.04 3.68 3.78 1zcfG1 PRO 291 HD3 -0.02 0.19 0.24 -0.04 3.65 4.01 1zcfG1 GLY 292 H -0.03 -0.02 0.09 -0.55 8.43 7.93 1zcfG1 GLY 292 HA2 -0.04 -0.06 0.41 -0.51 4.01 3.81 1zcfG1 GLY 292 HA3 -0.03 0.01 0.25 -0.51 4.01 3.73 1zcfG1 LEU 293 H -0.07 0.62 0.39 -0.55 8.37 8.75 1zcfG1 LEU 293 HA -0.05 0.12 0.69 -0.75 4.35 4.36 1zcfG1 LEU 293 HB2 -0.20 -0.02 0.06 -0.04 1.64 1.44 1zcfG1 LEU 293 HB3 -0.13 -0.04 0.19 -0.04 1.64 1.63 1zcfG1 LEU 293 HG -0.12 0.02 0.04 -0.04 1.64 1.54 1zcfG1 LEU 293 HD13 -0.11 -0.02 -0.01 -0.04 0.93 0.75 1zcfG1 LEU 293 HD23 -0.05 -0.04 -0.08 -0.04 0.89 0.68 1zcfG1 VAL 294 H -0.10 0.19 0.22 -0.55 8.24 7.99 1zcfG1 VAL 294 HA -0.05 0.02 1.09 -0.75 4.13 4.44 1zcfG1 VAL 294 HB 0.01 0.18 0.02 -0.04 2.12 2.28 1zcfG1 VAL 294 HG13 0.01 0.00 -0.20 -0.04 0.97 0.74 1zcfG1 VAL 294 HG23 0.01 -0.02 -0.01 -0.04 0.95 0.89 1zcfG1 ALA 295 H -0.01 0.66 0.26 -0.55 8.40 8.76 1zcfG1 ALA 295 HA 0.20 0.02 0.47 -0.75 4.34 4.28 1zcfG1 ALA 295 HB3 0.17 -0.06 0.06 -0.04 1.41 1.53 1zcfG1 ASP 296 H 0.16 -0.06 0.06 -0.55 8.40 8.00 1zcfG1 ASP 296 HA 0.06 0.30 0.87 -0.75 4.63 5.11 1zcfG1 ASP 296 HB2 0.07 0.12 -0.09 -0.04 2.71 2.77 1zcfG1 ASP 296 HB3 0.09 -0.36 0.21 -0.04 2.70 2.59 1zcfG1 SER 297 H 0.07 0.22 0.04 -0.55 8.46 8.24 1zcfG1 SER 297 HA 0.04 0.37 0.73 -0.75 4.49 4.87 1zcfG1 SER 297 HB2 0.04 -0.05 0.11 -0.04 3.95 4.01 1zcfG1 SER 297 HB3 0.05 -0.00 -0.12 -0.04 3.93 3.81 1zcfG1 LEU 298 H 0.05 0.06 -0.15 -0.55 8.37 7.77 1zcfG1 LEU 298 HA -0.06 0.28 0.94 -0.75 4.35 4.75 1zcfG1 LEU 298 HB2 0.05 -0.13 0.06 -0.04 1.64 1.59 1zcfG1 LEU 298 HB3 -0.09 0.01 -0.12 -0.04 1.64 1.39 1zcfG1 LEU 298 HG -0.04 -0.10 -0.14 -0.04 1.64 1.31 1zcfG1 LEU 298 HD13 -0.34 0.01 -0.02 -0.04 0.93 0.54 1zcfG1 LEU 298 HD23 -0.27 0.07 -0.01 -0.04 0.89 0.64 1zcfG1 SER 299 H -0.07 0.23 0.11 -0.55 8.46 8.18 1zcfG1 SER 299 HA -0.00 0.20 0.45 -0.75 4.49 4.38 1zcfG1 SER 299 HB2 -0.00 0.06 0.08 -0.04 3.95 4.04 1zcfG1 SER 299 HB3 -0.02 0.19 0.08 -0.04 3.93 4.14 1zcfG1 PRO 300 HA 0.04 0.07 0.23 -0.51 4.44 4.26 1zcfG1 PRO 300 HB2 0.04 0.02 -0.07 -0.04 2.28 2.23 1zcfG1 PRO 300 HB3 0.02 0.04 -0.10 -0.04 2.02 1.94 1zcfG1 PRO 300 HG2 0.01 0.07 -0.05 -0.04 2.03 2.02 1zcfG1 PRO 300 HG3 -0.02 0.02 -0.09 -0.04 2.03 1.90 1zcfG1 PRO 300 HD2 0.02 0.09 0.15 -0.04 3.68 3.89 1zcfG1 PRO 300 HD3 0.00 0.23 0.23 -0.04 3.65 4.07 1zcfG1 ALA 301 H 0.01 0.08 -0.52 -0.55 8.40 7.43 1zcfG1 ALA 301 HA 0.03 0.12 0.39 -0.75 4.34 4.13 1zcfG1 ALA 301 HB3 0.02 0.01 -0.05 -0.04 1.41 1.34 1zcfG1 LYS 302 H -0.05 0.14 -0.19 -0.55 8.42 7.76 1zcfG1 LYS 302 HA -0.03 0.15 0.48 -0.75 4.32 4.17 1zcfG1 LYS 302 HB2 -0.27 -0.05 0.04 -0.04 1.87 1.55 1zcfG1 LYS 302 HB3 -0.77 0.08 0.06 -0.04 1.79 1.11 1zcfG1 LYS 302 HG2 -0.15 -0.02 -0.16 -0.04 1.46 1.08 1zcfG1 LYS 302 HG3 -0.16 -0.14 0.02 -0.04 1.46 1.15 1zcfG1 LYS 302 HD2 -0.44 0.07 0.03 -0.04 1.69 1.31 1zcfG1 LYS 302 HD3 -0.75 0.02 0.04 -0.04 1.68 0.95 1zcfG1 LYS 302 HE2 -0.10 -0.11 -0.02 -0.04 2.99 2.71 1zcfG1 LYS 302 HE3 -0.11 0.02 -0.08 -0.04 2.99 2.77 1zcfG1 SER 303 H 0.01 0.53 -0.30 -0.55 8.46 8.16 1zcfG1 SER 303 HA 0.02 0.07 0.47 -0.75 4.49 4.29 1zcfG1 SER 303 HB2 0.11 0.06 -0.12 -0.04 3.95 3.97 1zcfG1 SER 303 HB3 0.31 -0.03 -0.12 -0.04 3.93 4.05 1zcfG1 ARG 304 H 0.06 0.34 -0.56 -0.55 8.46 7.74 1zcfG1 ARG 304 HA 0.07 0.04 0.29 -0.75 4.34 3.99 1zcfG1 ARG 304 HB2 0.05 0.12 0.01 -0.04 1.90 2.05 1zcfG1 ARG 304 HB3 0.06 0.08 -0.00 -0.04 1.80 1.90 1zcfG1 ARG 304 HG2 0.05 -0.07 0.04 -0.04 1.67 1.65 1zcfG1 ARG 304 HG3 0.04 -0.04 -0.24 -0.04 1.67 1.39 1zcfG1 ARG 304 HD2 0.04 0.40 0.08 -0.04 3.22 3.70 1zcfG1 ARG 304 HD3 0.04 -0.06 -0.01 -0.04 3.22 3.15 1zcfG1 ILE 305 H 0.06 0.09 -1.15 -0.55 8.25 6.70 1zcfG1 ILE 305 HA 0.04 0.17 0.81 -0.75 4.18 4.44 1zcfG1 ILE 305 HB 0.20 0.18 0.00 -0.04 1.89 2.23 1zcfG1 ILE 305 HG12 0.16 -0.01 -0.11 -0.04 1.49 1.49 1zcfG1 ILE 305 HG13 0.11 0.08 -0.40 -0.04 1.21 0.95 1zcfG1 ILE 305 HG23 -0.06 -0.00 -0.26 -0.04 0.93 0.57 1zcfG1 ILE 305 HD13 0.20 -0.03 -0.14 -0.04 0.88 0.87 1zcfG1 LEU 306 H 0.00 0.32 0.06 -0.55 8.37 8.20 1zcfG1 LEU 306 HA -0.32 0.12 0.38 -0.75 4.35 3.78 1zcfG1 LEU 306 HB2 -0.19 0.11 0.12 -0.04 1.64 1.63 1zcfG1 LEU 306 HB3 -0.46 -0.03 0.10 -0.04 1.64 1.21 1zcfG1 LEU 306 HG -0.16 -0.04 -0.17 -0.04 1.64 1.23 1zcfG1 LEU 306 HD13 -0.31 0.02 -0.01 -0.04 0.93 0.59 1zcfG1 LEU 306 HD23 -0.95 0.02 -0.10 -0.04 0.89 -0.19 1zcfG1 LEU 307 H 0.13 0.46 -0.10 -0.55 8.37 8.31 1zcfG1 LEU 307 HA 0.15 0.05 0.24 -0.75 4.35 4.03 1zcfG1 LEU 307 HB2 0.24 0.01 -0.03 -0.04 1.64 1.82 1zcfG1 LEU 307 HB3 0.10 0.00 -0.04 -0.04 1.64 1.66 1zcfG1 LEU 307 HG 0.02 0.02 -0.36 -0.04 1.64 1.28 1zcfG1 LEU 307 HD13 -0.01 -0.00 -0.14 -0.04 0.93 0.74 1zcfG1 LEU 307 HD23 0.01 -0.02 -0.24 -0.04 0.89 0.60 1zcfG1 MET 308 H 0.00 0.09 -0.57 -0.55 8.47 7.44 1zcfG1 MET 308 HA -0.01 0.03 0.20 -0.75 4.52 3.98 1zcfG1 MET 308 HB2 -0.03 0.09 0.01 -0.04 2.15 2.18 1zcfG1 MET 308 HB3 0.01 -0.01 -0.08 -0.04 2.03 1.91 1zcfG1 MET 308 HG2 0.03 0.01 -0.05 -0.04 2.63 2.58 1zcfG1 MET 308 HG3 0.03 0.07 -0.12 -0.04 2.56 2.51 1zcfG1 MET 308 HE3 0.07 -0.02 0.01 -0.04 2.10 2.12 1zcfG1 LEU 309 H -0.21 0.49 -0.31 -0.55 8.37 7.79 1zcfG1 LEU 309 HA -0.18 0.04 0.38 -0.75 4.35 3.83 1zcfG1 LEU 309 HB2 -0.77 0.10 0.06 -0.04 1.64 0.98 1zcfG1 LEU 309 HB3 -0.82 -0.03 -0.01 -0.04 1.64 0.74 1zcfG1 LEU 309 HG -0.43 0.11 0.02 -0.04 1.64 1.29 1zcfG1 LEU 309 HD13 -0.89 -0.01 -0.09 -0.04 0.93 -0.10 1zcfG1 LEU 309 HD23 -0.34 -0.02 -0.11 -0.04 0.89 0.37 1zcfG1 ALA 310 H -0.13 0.50 -0.23 -0.55 8.40 7.99 1zcfG1 ALA 310 HA 0.23 0.03 0.46 -0.75 4.34 4.31 1zcfG1 ALA 310 HB3 -0.01 -0.02 0.03 -0.04 1.41 1.36 1zcfG1 LEU 311 H -0.03 0.48 -0.41 -0.55 8.37 7.86 1zcfG1 LEU 311 HA -0.02 0.19 0.58 -0.75 4.35 4.35 1zcfG1 LEU 311 HB2 -0.01 0.22 0.12 -0.04 1.64 1.93 1zcfG1 LEU 311 HB3 -0.01 -0.07 0.16 -0.04 1.64 1.68 1zcfG1 LEU 311 HG -0.02 0.05 -0.09 -0.04 1.64 1.54 1zcfG1 LEU 311 HD13 -0.01 -0.04 -0.19 -0.04 0.93 0.66 1zcfG1 LEU 311 HD23 -0.03 0.01 0.02 -0.04 0.89 0.85 1zcfG1 THR 312 H 0.03 0.36 -0.71 -0.55 8.28 7.41 1zcfG1 THR 312 HA 0.02 0.18 0.92 -0.75 4.39 4.76 1zcfG1 THR 312 HB 0.04 -0.05 0.21 -0.04 4.32 4.48 1zcfG1 THR 312 HG23 0.01 0.00 -0.08 -0.04 1.22 1.11 1zcfG1 LYS 313 H 0.04 0.08 -0.14 -0.55 8.42 7.84 1zcfG1 LYS 313 HA 0.06 0.13 0.76 -0.75 4.32 4.52 1zcfG1 LYS 313 HB2 0.16 0.08 0.09 -0.04 1.87 2.16 1zcfG1 LYS 313 HB3 0.12 -0.08 -0.01 -0.04 1.79 1.79 1zcfG1 LYS 313 HG2 0.20 0.13 -0.25 -0.04 1.46 1.50 1zcfG1 LYS 313 HG3 0.29 -0.03 -0.03 -0.04 1.46 1.65 1zcfG1 LYS 313 HD2 0.05 -0.08 0.07 -0.04 1.69 1.69 1zcfG1 LYS 313 HD3 0.06 -0.00 0.17 -0.04 1.68 1.87 1zcfG1 LYS 313 HE2 0.09 -0.10 0.17 -0.04 2.99 3.11 1zcfG1 LYS 313 HE3 -0.09 0.07 0.14 -0.04 2.99 3.08 1zcfG1 THR 314 H 0.00 0.40 0.25 -0.55 8.28 8.38 1zcfG1 THR 314 HA -0.00 0.13 0.58 -0.75 4.39 4.35 1zcfG1 THR 314 HB 0.00 0.14 0.02 -0.04 4.32 4.45 1zcfG1 THR 314 HG23 -0.10 0.02 -0.15 -0.04 1.22 0.95 1zcfG1 THR 315 H -0.02 0.03 0.20 -0.55 8.28 7.95 1zcfG1 THR 315 HA -0.04 0.25 0.80 -0.75 4.39 4.65 1zcfG1 THR 315 HB -0.01 0.04 -0.07 -0.04 4.32 4.24 1zcfG1 THR 315 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.05 1zcfG1 ASN 316 H -0.04 -0.02 0.11 -0.55 8.53 8.04 1zcfG1 ASN 316 HA -0.02 0.27 0.70 -0.75 4.76 4.96 1zcfG1 ASN 316 HB2 -0.01 0.06 0.11 -0.04 2.88 3.00 1zcfG1 ASN 316 HB3 -0.02 -0.02 0.14 -0.04 2.79 2.86 1zcfG1 ASN 316 HD21 0.00 0.00 0.02 -0.04 7.03 7.01 1zcfG1 ASN 316 HD22 -0.00 0.06 0.03 -0.04 7.74 7.79 1zcfG1 PRO 317 HA -0.05 0.08 0.39 -0.51 4.44 4.35 1zcfG1 PRO 317 HB2 -0.02 -0.08 0.17 -0.04 2.28 2.31 1zcfG1 PRO 317 HB3 -0.03 0.07 0.07 -0.04 2.02 2.09 1zcfG1 PRO 317 HG2 -0.02 0.07 0.11 -0.04 2.03 2.14 1zcfG1 PRO 317 HG3 -0.03 0.11 0.10 -0.04 2.03 2.17 1zcfG1 PRO 317 HD2 -0.02 0.04 0.26 -0.04 3.68 3.93 1zcfG1 PRO 317 HD3 -0.03 0.52 0.42 -0.04 3.65 4.52 1zcfG1 ALA 318 H -0.00 0.18 -0.01 -0.55 8.40 8.02 1zcfG1 ALA 318 HA 0.03 0.07 0.35 -0.75 4.34 4.03 1zcfG1 ALA 318 HB3 0.02 0.02 0.04 -0.04 1.41 1.45 1zcfG1 VAL 319 H -0.00 0.10 -0.48 -0.55 8.24 7.32 1zcfG1 VAL 319 HA 0.10 0.09 0.46 -0.75 4.13 4.03 1zcfG1 VAL 319 HB -0.05 0.11 0.05 -0.04 2.12 2.19 1zcfG1 VAL 319 HG13 0.10 0.01 -0.08 -0.04 0.97 0.96 1zcfG1 VAL 319 HG23 0.04 -0.02 -0.01 -0.04 0.95 0.91 1zcfG1 ILE 320 H -0.08 0.43 -0.06 -0.55 8.25 7.99 1zcfG1 ILE 320 HA -0.41 0.06 0.40 -0.75 4.18 3.49 1zcfG1 ILE 320 HB -0.10 0.06 0.11 -0.04 1.89 1.91 1zcfG1 ILE 320 HG12 -0.17 0.12 -0.17 -0.04 1.49 1.23 1zcfG1 ILE 320 HG13 -0.12 -0.00 -0.21 -0.04 1.21 0.84 1zcfG1 ILE 320 HG23 -0.11 -0.02 -0.23 -0.04 0.93 0.53 1zcfG1 ILE 320 HD13 -0.31 0.03 -0.14 -0.04 0.88 0.42 1zcfG1 GLN 321 H -0.01 0.70 0.01 -0.55 8.47 8.63 1zcfG1 GLN 321 HA -0.04 0.01 0.36 -0.75 4.36 3.94 1zcfG1 GLN 321 HB2 0.00 -0.04 0.06 -0.04 2.15 2.14 1zcfG1 GLN 321 HB3 0.08 0.12 0.06 -0.04 2.02 2.23 1zcfG1 GLN 321 HG2 0.10 -0.03 0.00 -0.04 2.40 2.43 1zcfG1 GLN 321 HG3 0.23 0.03 -0.15 -0.04 2.39 2.45 1zcfG1 GLN 321 HE21 -0.20 0.52 0.23 -0.04 6.97 7.48 1zcfG1 GLN 321 HE22 -0.11 -0.09 0.23 -0.04 7.69 7.68 1zcfG1 ASP 322 H 0.18 0.29 -0.57 -0.55 8.40 7.76 1zcfG1 ASP 322 HA 0.29 0.02 0.41 -0.75 4.63 4.60 1zcfG1 ASP 322 HB2 0.17 0.08 0.12 -0.04 2.71 3.04 1zcfG1 ASP 322 HB3 0.30 0.18 0.07 -0.04 2.70 3.20 1zcfG1 TYR 323 H 0.52 0.36 -0.25 -0.55 8.29 8.37 1zcfG1 TYR 323 HA 0.29 0.03 0.40 -0.75 4.56 4.53 1zcfG1 TYR 323 HB2 0.28 0.25 0.23 -0.04 3.06 3.78 1zcfG1 TYR 323 HB3 0.21 -0.07 -0.04 -0.04 2.98 3.04 1zcfG1 TYR 323 HD2 0.27 0.03 0.03 -0.04 7.15 7.44 1zcfG1 TYR 323 HE2 0.12 -0.01 -0.05 -0.04 6.85 6.88 1zcfG1 PHE 324 H 0.56 0.41 -0.13 -0.55 8.34 8.63 1zcfG1 PHE 324 HA 0.13 0.01 0.43 -0.75 4.62 4.44 1zcfG1 PHE 324 HB2 -0.06 0.20 0.10 -0.04 3.15 3.34 1zcfG1 PHE 324 HB3 -0.09 -0.07 -0.02 -0.04 3.06 2.84 1zcfG1 PHE 324 HD2 0.04 -0.05 -0.01 -0.04 7.28 7.22 1zcfG1 PHE 324 HE2 0.00 -0.03 -0.15 -0.04 7.38 7.17 1zcfG1 PHE 324 HZ 0.00 0.02 -0.02 -0.04 7.32 7.28 1zcfG1 HIS 325 H 0.28 0.31 -0.42 -0.55 8.41 8.04 1zcfG1 HIS 325 HA 0.14 0.05 0.54 -0.75 4.63 4.60 1zcfG1 HIS 325 HB2 0.13 0.12 0.10 -0.04 3.26 3.57 1zcfG1 HIS 325 HB3 0.09 -0.05 0.10 -0.04 3.20 3.30 1zcfG1 HIS 325 HD2 0.10 0.04 -0.06 -0.04 6.97 7.00 1zcfG1 HIS 325 HE1 0.06 0.01 0.00 -0.04 7.75 7.78 1zcfG1 ALA 326 H 0.25 0.28 -0.41 -0.55 8.40 7.97 1zcfG1 ALA 326 HA 0.07 0.22 1.08 -0.75 4.34 4.96 1zcfG1 ALA 326 HB3 0.03 -0.00 0.02 -0.04 1.41 1.42 1zcfG1 TYR 327 H 0.32 0.46 0.07 -0.55 8.29 8.60 1zcfG1 TYR 327 HA 0.03 0.17 0.69 -0.75 4.56 4.69 1zcfG1 TYR 327 HB2 0.03 0.04 0.09 -0.04 3.06 3.18 1zcfG1 TYR 327 HB3 0.03 -0.00 0.07 -0.04 2.98 3.04 1zcfG1 TYR 327 HD2 0.01 0.11 0.04 -0.04 7.15 7.27 1zcfG1 TYR 327 HE2 -0.19 -0.03 -0.06 -0.04 6.85 6.52