Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2368.59 822 0.2736 6.941608 859.4 1.89 16326.4677134.01 2 2452.60 819 0.2813 6.781616 860.4 1.42 16027.8495111.55 3 2454.50 829 0.2751 6.171756 926.6 1.83 14627.1765108.63 4 2481.02 832 0.2793 6.821794 950.3 1.64 15723.5091109.09 5 2481.68 776 0.2768 6.661681 897.3 1.83 15727.5845116.32 6 2489.07 828 0.2827 7.081747 917.1 1.92 16325.7128108.50 7 2494.02 812 0.2775 7.051721 925.6 1.68 15727.2775132.31 8 2497.56 879 0.2787 7.231670 886.7 1.71 16228.3322126.55 9 2502.05 827 0.2764 7.131786 945.5 1.56 16727.1863 92.54 10 2518.83 811 0.2781 7.221692 929.1 2.72 15725.7599107.04 11 2523.43 820 0.2725 7.741824 977.0 1.75 17426.4410101.38 12 2527.40 768 0.2744 7.061680 920.9 1.82 16628.3442100.37 13 2540.38 821 0.2818 6.641847 950.4 1.29 18128.0229100.28 14 2550.26 869 0.2882 5.831735 914.5 1.45 16825.6322113.27 15 2561.58 841 0.2766 6.411775 961.8 1.58 15127.5690116.62 16 2566.67 804 0.2703 7.831832 986.9 2.01 16227.7237117.08 17 2587.13 882 0.2785 6.321833 973.2 2.02 16327.5262123.89 18 2601.67 844 0.2752 6.631821 1013.3 2.20 15525.2334 95.43 19 2603.26 839 0.2805 6.461758 959.0 2.46 15826.5290105.25 20 2606.79 806 0.2722 6.301780 982.9 2.17 17028.2409105.62 Ave 2520.42 826 0.2775 6.811748 936.9 1.85 16226.9059111.29 +/- 58.37 28 0.0041 0.49 70 40.2 0.34 8 1.2147 11.16 Min 2368.59 768 0.2703 5.831608 859.4 1.29 14623.5091 92.54 Max 2606.79 882 0.2882 7.831847 1013.3 2.72 18128.3442134.01 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA PRO 40 - QB ALA 43 3.42 20 0.51 0.86 ++++++*+++++++++++++ peak 1631 Upper H GLU 41 - HG3 GLU 41 3.76 7 0.10 0.48 + ++ + + + * peak 735 Upper HA GLU 41 - H LEU 45 4.72 16 0.46 1.39 ++++ + +++ ++++++*+ peak 130 Upper HB3 GLU 41 - H ALA 42 4.07 8 0.11 0.28 + + + ++++ * peak 701 Upper HB3 GLU 41 - HE1 TRP 72 4.94 18 0.81 1.92 +++++*++++++++++ ++ peak 264 Upper H ALA 42 - QD1 LEU 45 4.63 10 0.18 0.81 + ++ + *+++ ++ peak 1951 Upper H ALA 43 - QD ARG 46 5.39 6 0.08 0.44 + + + ++ * peak 694 Upper HA ALA 43 - QD2 LEU 68 2.92 6 0.07 0.34 *+ + +++ peak 809 HA LEU 68 - QD2 LEU 68 Upper HA ALA 43 - HD1 TRP 72 4.70 17 1.28 2.76 + ++ ++++*+ ++++++++ peak 53 Upper QB ALA 43 - HG LEU 68 3.84 15 0.51 2.38 ++ ++++*+++++ + ++ peak 1528 Upper QB ALA 43 - QB GLN 71 3.89 7 0.18 1.23 + *+ ++ ++ peak 1628 Upper QB ALA 43 - HB2 TRP 72 4.72 8 0.21 0.96 ++*+ + ++ + peak 2635 Upper QB ALA 43 - HB3 TRP 72 3.54 12 0.26 0.75 + + +*+++ ++ +++ peak 1629 Upper QB ALA 43 - HD1 TRP 72 3.17 8 0.29 1.22 + + + * + + ++ peak 223 Upper QB ALA 43 - HE3 TRP 72 4.53 20 1.62 2.76 +++++++*++++++++++++ peak 125 Upper H ARG 44 - HB3 TRP 72 5.50 17 0.70 1.39 + ++++++++ +++++*++ peak 2643 Upper H ARG 44 - HD1 TRP 72 4.13 12 0.32 1.34 + + ++ * +++ ++++ peak 54 Upper HA ARG 44 - QE PHE 47 5.50 6 0.19 0.86 ++ * ++ + peak 1843 Upper HA ARG 44 - HZ PHE 47 5.50 7 0.15 0.68 + * + ++++ peak 1842 HA ARG 44 - HD1 TRP 72 Upper HA ARG 44 - HG3 GLU 367 4.54 10 2.94 7.13 ++ ++ +* ++ + + peak 2452 Upper HB2 ARG 44 - HE1 TRP 72 5.50 7 0.25 1.30 + + + + * + + peak 256 Upper HB3 ARG 44 - HD1 TRP 72 5.18 6 0.12 0.65 *+ +++ + peak 226 Upper HD2 ARG 44 - QE PHE 47 5.50 6 0.15 0.76 +* + + ++ peak 1838 HD2 ARG 44 - HZ2 TRP 72 Upper HD3 ARG 44 - QE PHE 47 4.04 13 0.84 1.92 ++ +++++ *+++ ++ peak 312 Upper HD3 ARG 44 - HD1 TRP 72 5.50 13 0.61 1.54 + +++* + + + +++++ peak 1832 Upper HD3 ARG 44 - HG3 GLU 367 5.17 12 2.14 5.28 ++ ++ *+ ++++ ++ peak 1820 Upper HE ARG 44 - HD1 TRP 72 4.98 12 0.49 1.97 ++ +++* + +++++ peak 648 Upper H LEU 45 - QB ARG 46 4.85 13 0.23 0.75 + + +++ ++++*+++ peak 684 Upper HA LEU 45 - QD PHE 47 4.24 15 0.79 1.60 ++* ++ ++ ++++++++ peak 103 Upper HA LEU 45 - H ARG 48 4.47 7 0.22 1.31 ++ + * + + + peak 1958 Upper QD2 LEU 45 - H ARG 48 5.15 8 0.20 0.94 + + ++*++ + peak 1954 Upper H ARG 46 - QD2 LEU 68 4.30 7 0.17 0.87 + *+ + +++ peak 668 Upper HA ARG 46 - HB2 CYS 49 5.50 8 0.24 1.26 ++ ++ + +* + peak 2002 Upper QB ARG 46 - HB3 PHE 47 4.98 7 0.19 0.90 + ++ *++ + peak 3236 Upper QD ARG 46 - QD2 LEU 68 3.41 6 0.24 1.97 * + + +++ peak 2483 Upper QD PHE 47 - H LEU 65 4.86 7 0.18 1.03 *+ ++ + + + peak 96 QD PHE 47 - H CYS 69 Upper QD PHE 47 - HA LEU 65 4.08 8 0.43 2.10 *+ + +++ + + peak 102 Upper QD PHE 47 - HB3 LEU 65 5.30 9 0.51 2.40 *+ ++ ++++ + peak 302 Upper QD PHE 47 - QD2 LEU 65 4.37 7 0.20 1.09 + ++ *+ + + peak 2404 Upper QD PHE 47 - HB2 LEU 68 4.67 14 0.58 1.94 +++++ ++ +++ ++ *+ peak 301 Upper QD PHE 47 - HB3 LEU 68 4.69 9 0.64 2.13 ++ ++ + ++ *+ peak 2523 Upper QD PHE 47 - H CYS 69 4.82 9 0.28 1.25 ++ + ++ + + *+ peak 200 Upper QD PHE 47 - HB2 CYS 69 4.95 19 0.93 2.30 +++++++*+++++++ ++++ peak 2547 Upper QD PHE 47 - HB3 CYS 69 5.50 18 1.31 2.13 ++++++++ ++++*+++ ++ peak 2542 Upper QE PHE 47 - HA LEU 65 4.23 6 0.08 0.65 *+ + ++ + peak 93 HA LEU 65 - QE PHE 347 HA GLN 91 - QE PHE 347 Upper QE PHE 47 - HB3 LEU 65 3.97 10 0.80 3.11 *+ ++ +++++ + peak 315 Upper QE PHE 47 - HG LEU 65 4.70 7 0.26 1.31 + + + + * + + peak 317 QD2 LEU 68 - QE PHE 347 Upper QE PHE 47 - HB2 LEU 68 5.15 7 0.11 0.40 ++ + + *+ + peak 2520 QE PHE 47 - HB2 LEU 368 H GLU 67 - HB2 LEU 68 Upper QE PHE 47 - H CYS 69 5.35 11 0.52 1.68 *+ + ++ ++++ ++ peak 91 H CYS 69 - QE PHE 347 Upper QE PHE 47 - HA VAL 88 4.82 15 0.64 1.54 ++++ +*+ ++++++++ peak 3154 Upper QE PHE 47 - QG1 VAL 88 4.50 15 0.78 2.15 +++ +*++++ +++ +++ peak 2762 Upper QE PHE 47 - H PHE 92 5.50 15 0.60 1.21 + +*+ ++ +++ ++++ ++ peak 425 QE PHE 47 - H PHE 392 Upper QE PHE 47 - HD2 ARG 366 5.47 9 0.26 1.28 + *+ ++ ++ + + peak 2436 HD2 ARG 66 - H GLU 67 H GLU 67 - HD2 ARG 366 Upper QE PHE 47 - HD3 ARG 366 5.47 7 0.23 1.27 + ++ ++ * + peak 2434 HD3 ARG 66 - H GLU 67 H GLU 67 - HD3 ARG 366 Upper QE PHE 47 - HG LEU 368 5.32 16 1.38 3.04 +*+ +++++++++ + +++ peak 2527 Upper QE PHE 47 - H GLU 390 4.61 19 1.77 3.53 ++++++++++++ ++++++* peak 402 Upper HZ PHE 47 - HE ARG 48 5.50 15 0.50 1.47 ++ ++++++ +*+++++ peak 1346 Upper HZ PHE 47 - HA VAL 88 3.71 18 2.17 3.22 ++++++ +*++++++++++ peak 3153 Upper HZ PHE 47 - QB GLN 91 3.62 7 0.16 0.61 +++* ++ + peak 288 QB GLN 91 - HZ PHE 347 Upper HZ PHE 47 - HG3 GLN 91 4.24 13 0.64 1.54 + ++ ++ +*+ ++++ + peak 295 Upper HZ PHE 47 - H GLN 391 4.22 14 0.74 2.98 +++ + +++ ++++++* peak 1150 Upper HZ PHE 47 - HA GLN 391 4.42 16 1.55 2.85 ++++ +* +++ +++++++ peak 87 Upper HA ARG 48 - HE21 GLN 91 4.98 13 1.19 2.46 ++ * +++ +++++++ peak 1996 Upper HA ARG 48 - HE22 GLN 91 5.47 18 1.26 2.50 +++++++*++++++++++ peak 1995 Upper QB ARG 48 - H CYS 49 3.83 7 0.07 0.23 + ++ ++ * + peak 762 Upper HA PHE 50 - HB2 HIS 51 5.50 9 0.11 0.25 +++ *+ ++ + + peak 2041 Upper HB2 PHE 50 - QD2 LEU 65 3.90 19 0.86 1.49 +*++++++++++ +++++++ peak 2359 Upper HB2 PHE 50 - QB ALA 95 4.71 7 0.11 0.53 + + + +++ * peak 1714 HB2 PHE 50 - QB ALA 395 Upper HB3 PHE 50 - QD1 LEU 65 5.50 20 1.28 1.93 +++++++++++++*++++++ peak 2010 Upper HB3 PHE 50 - QD2 LEU 65 4.33 12 0.27 0.76 +++++ +* ++ + + + peak 2011 Upper HB3 PHE 50 - QD1 LEU 68 5.50 18 1.15 2.35 ++++*+ ++++++ ++++++ peak 2009 Upper HB3 PHE 50 - QB ALA 395 4.79 16 0.87 1.83 ++ ++ +++++++++++* peak 2008 Upper QD PHE 50 - QD2 LEU 65 3.32 16 0.73 1.51 +++++ ++ +++ *+++ ++ peak 281 Upper QD PHE 50 - QB ALA 395 3.01 17 0.39 1.57 *++ +++ +++++++++++ peak 278 Upper QE PHE 50 - QB TYR 52 4.05 16 0.61 1.81 *+++++ + ++ +++++ ++ peak 262 Upper QE PHE 50 - HA GLU 60 4.18 20 1.05 2.05 ++++++++++++++++*+++ peak 8131 Upper QE PHE 50 - HB2 GLN 64 4.58 13 0.29 1.06 ++ ++ +*++ +++ ++ peak 264 Upper QE PHE 50 - QD2 LEU 65 4.12 17 0.67 1.45 ++++++*+ ++ +++++ ++ peak 272 Upper QE PHE 50 - H GLN 359 4.45 20 3.47 5.73 +++++++++++++++++*++ peak 77 Upper QE PHE 50 - HA GLN 359 4.45 20 2.53 5.40 +++++++++++++++++*++ peak 84 Upper QE PHE 50 - QB ALA 395 3.34 9 0.19 1.35 +* ++ + + ++ + peak 8164 Upper H HIS 51 - QB ALA 395 5.08 17 0.67 1.14 +++ *+ ++++++++++++ peak 787 Upper HB2 HIS 51 - QB ALA 395 5.20 20 0.98 2.01 +++++*++++++++++++++ peak 2051 Upper H TYR 52 - HB3 GLU 360 5.36 7 0.23 1.00 +* + ++ + + peak 794 H TYR 52 - HB3 PRO 397 Upper H TYR 52 - HD2 PRO 397 5.06 14 0.58 1.28 ++* + ++++++++ ++ peak 789 Upper HA TYR 52 - QB ALA 395 3.95 16 0.65 1.17 +++ ++ +++ +++++++* peak 8166 Upper QB TYR 52 - QB ALA 61 5.15 14 0.28 1.15 + ++ + +*++++++ ++ peak 1602 Upper QB TYR 52 - H ALA 395 5.13 15 0.76 1.48 +++ + +++ +++*++++ peak 1114 Upper QB TYR 52 - QD2 LEU 396 4.18 13 0.55 1.52 +++ * +++ +++++ + peak 8179 Upper QD TYR 52 - H THR 56 5.42 11 0.24 0.73 + + + ++ + +++ *+ peak 63 Upper QD TYR 52 - HB3 PRO 58 3.56 18 0.62 1.01 +++*+ ++++ +++++++++ peak 245 Upper QD TYR 52 - QB ALA 95 3.77 16 0.23 0.68 +++++ +*+++++++ ++ peak 246 QB ALA 95 - QD TYR 352 Upper QD TYR 52 - QB ALA 395 3.68 14 0.40 1.00 + + ++ +++ + ++++*+ peak 8175 Upper QD TYR 52 - QD1 LEU 396 4.32 14 0.70 1.53 +++ + ++++++*+ ++ peak 251 Upper QD TYR 52 - QD2 LEU 396 3.35 7 0.30 1.35 + + * + ++ + peak 252 Upper QD TYR 52 - HG2 PRO 397 3.32 14 0.25 0.66 ++++ +++++++*+ + peak 243 Upper QE TYR 52 - QG GLU 53 5.50 6 0.06 0.29 + + + + * + peak 2087 Upper QE TYR 52 - HA PRO 58 3.34 12 0.40 1.32 * ++++ + ++++++ peak 46 Upper QE TYR 52 - HB2 PRO 58 3.81 9 0.47 1.57 ++ +++*+ + + peak 230 Upper QE TYR 52 - QB ALA 395 4.34 20 1.50 2.13 ++++++++++++++++++*+ peak 8176 Upper QE TYR 52 - QD1 LEU 396 4.57 10 0.31 1.07 ++ *+ +++++ + peak 239 Upper QE TYR 52 - HB3 PRO 397 3.38 20 0.92 1.73 +++++*++++++++++++++ peak 232 Upper QE TYR 52 - QG1 VAL 419 5.13 7 0.13 0.80 + ++ * + + + peak 3975 Upper QE TYR 52 - QG2 VAL 419 3.65 14 0.33 1.35 +++ +++++ *+++++ peak 8189 Upper QE TYR 52 - QD ARG 423 5.27 6 0.09 0.49 + + ++ * + peak 4040 Upper HB2 GLU 53 - QG2 THR 56 4.69 10 0.30 1.27 *+ ++ ++ + + ++ peak 2582 Upper QG GLU 53 - HA GLU 54 5.50 10 0.14 0.35 ++ +* ++ + + + + peak 2085 HD2 PRO 97 - QG GLU 353 Upper QG GLU 53 - H THR 56 4.12 7 0.06 0.25 + ++ ++ + * peak 2091 Upper QG GLU 53 - QG2 THR 56 3.94 7 0.10 0.54 * ++ ++ + + peak 2078 Upper HA GLU 54 - H GLY 57 3.90 12 0.43 1.75 ++ +++*+ ++ + ++ peak 821 Upper HB THR 56 - HG3 GLU 60 4.62 9 0.36 1.33 +++ +* ++ + + peak 2105 Upper QG2 THR 56 - H GLU 60 4.51 8 0.32 1.27 ++ ++ ++ * + peak 865 Upper QG2 THR 56 - HE22 GLN 64 5.48 8 0.13 0.80 * + + +++ ++ peak 1770 Upper H GLY 57 - H GLU 60 5.50 16 0.79 2.47 ++++++ ++++*++ ++ + peak 398 Upper H GLY 57 - HG3 GLU 60 5.50 17 0.52 1.68 +*+++++++++++ + ++ + peak 824 Upper HA2 GLY 57 - HE21 GLN 359 5.01 20 4.01 4.83 ++++++++++++*+++++++ peak 845 Upper HA PRO 58 - H ALA 61 4.38 8 0.48 1.87 + + *+ ++ ++ peak 872 Upper HA PRO 58 - HZ PHE 392 4.37 17 1.20 2.68 +++ *+++++++ ++++++ peak 116 Upper HB2 PRO 58 - QB ALA 116 4.18 20 1.87 3.24 *+++++++++++++++++++ peak 2132 Upper HB2 PRO 58 - HZ PHE 392 3.63 18 0.80 1.58 ++++++*++++ +++++ ++ peak 168 Upper HB2 PRO 58 - HA ALA 416 4.33 12 0.74 1.69 ++ + +* +++++ ++ peak 8259 Upper HB2 PRO 58 - QB ALA 416 4.46 12 0.64 1.76 ++ + +* +++++ ++ peak 8262 Upper HB2 PRO 58 - QG2 VAL 419 4.11 8 0.14 0.81 +* ++ ++ ++ peak 2131 Upper HB3 PRO 58 - QD PHE 392 4.22 8 0.19 1.40 *++ +++ ++ peak 152 HB2 PRO 112 - QD PHE 392 Upper HB3 PRO 58 - QD PHE 392 3.76 20 1.23 2.53 ++++*+++++++++++++++ peak 8254 Upper HB3 PRO 58 - HZ PHE 392 3.61 8 0.37 1.73 ++ ++ +* + + peak 170 QB GLN 59 - HZ PHE 392 Upper HB3 PRO 58 - HA ALA 416 3.72 16 0.36 0.82 +++++ ++ +*+ ++++ ++ peak 8252 Upper HB3 PRO 58 - QB ALA 416 3.94 10 0.24 0.89 +++ + +++ * + + peak 8257 Upper HG2 PRO 58 - QE PHE 392 4.05 18 0.59 1.50 +++++++*+++++++++ + peak 157 Upper HG2 PRO 58 - QD1 ILE 400 3.84 7 0.38 1.83 + +* ++ + + peak 8117 Upper HG2 PRO 58 - HA ALA 416 3.62 14 0.38 1.16 + +++ ++ +*+++++ + peak 3890 Upper HG3 PRO 58 - QD1 ILE 400 3.84 8 0.39 1.72 ++ ++ +* + + peak 8116 Upper HD2 PRO 58 - H GLN 59 4.02 7 0.17 1.17 +* + ++ + + peak 832 Upper HD3 PRO 58 - H GLU 60 5.50 11 0.17 0.42 + +*+++ + + + ++ peak 859 Upper HD3 PRO 58 - HE22 GLN 359 5.10 8 0.93 2.82 *+ ++ ++ + + peak 2162 HD3 PRO 358 - H LEU 396 Upper HD3 PRO 58 - HB ILE 400 4.62 20 1.64 3.78 ++++*+++++++++++++++ peak 3483 Upper HD3 PRO 58 - QG2 VAL 419 3.84 6 0.24 1.46 ++ ++ + * peak 1758 Upper H GLN 59 - HG2 GLN 59 3.43 18 0.36 1.19 +*+++++ ++ +++++++++ peak 835 Upper H GLN 59 - HB2 LEU 62 5.50 11 0.50 1.63 +++ + +++++ *+ peak 2295 H ALA 116 - HB2 LEU 362 Upper H GLN 59 - HB2 LEU 62 5.49 16 0.86 2.36 + ++++ + *+++++++ ++ peak 838 Upper H GLN 59 - QD1 LEU 62 5.25 9 0.29 1.29 + + +* + +++ + peak 842 QD1 LEU 62 - H GLN 359 Upper H GLN 59 - QE PHE 350 4.45 20 3.73 5.07 ++++++++++++++++*+++ peak 77 Upper H GLN 59 - QD2 LEU 362 4.27 20 2.56 3.73 ++*+++++++++++++++++ peak 8218 Upper HA GLN 59 - HB3 LEU 62 4.02 13 0.52 1.19 ++ +++ +++ +* +++ peak 1873 HA PRO 112 - HB3 LEU 362 Upper HA GLN 59 - QE PHE 350 4.45 20 3.04 5.15 ++++++++++++++++*+++ peak 84 Upper HA GLN 59 - QD2 LEU 362 3.40 20 1.88 3.36 ++++++*+++++++++++++ peak 8214 Upper QB GLN 59 - H LEU 62 4.02 14 0.30 0.69 ++*+++ ++ ++ + +++ peak 881 QB GLN 59 - H LEU 362 Upper QB GLN 59 - QB ALA 416 3.13 8 0.50 1.82 ++ ++ *+ + + peak 8137 Upper HG2 GLN 59 - H GLU 60 4.31 10 0.20 0.77 *+ + ++++++ + peak 2224 Upper HG2 GLN 59 - QD2 LEU 62 4.69 17 0.77 1.84 +*+ +++++ ++++++ +++ peak 2267 QB GLU 90 - QD2 LEU 362 Upper HG3 GLN 59 - H LEU 62 4.45 20 0.96 1.63 ++++++++++++++++++*+ peak 880 Upper HG3 GLN 59 - QD2 LEU 62 4.08 16 0.80 2.16 +*+ +++ +++++ ++ +++ peak 8211 Upper HE21 GLN 59 - QD1 LEU 62 4.94 11 0.37 1.47 + +* + ++ ++++ + peak 852 QD1 LEU 62 - HE21 GLN 359 Upper HE21 GLN 59 - QD2 LEU 62 5.15 14 0.55 1.50 +++ ++++ +*+ ++ + + peak 853 Upper HE21 GLN 59 - HA2 GLY 357 5.01 20 3.91 4.86 +++++*++++++++++++++ peak 845 Upper HE21 GLN 59 - HB3 LEU 396 4.94 15 1.33 3.25 ++++++ +++ ++ + *++ peak 851 Upper HE22 GLN 59 - QD1 LEU 62 5.50 11 0.45 1.52 + +++* + +++ ++ peak 857 QD1 LEU 62 - HE22 GLN 359 Upper HE22 GLN 59 - HD3 PRO 358 5.10 12 1.43 3.12 ++ + *+ +++++ ++ peak 2162 HD3 PRO 58 - H LEU 96 Upper HE22 GLN 59 - QD1 LEU 396 3.70 8 0.20 0.86 +* ++ ++ + + peak 3353 H LEU 96 - QD1 LEU 96 H LEU 96 - QD1 LEU 396 Upper HE22 GLN 59 - HA GLN 401 5.39 8 0.58 1.69 ++ ++ ++ * + peak 3521 H LEU 96 - HA GLN 101 Upper HE22 GLN 59 - H VAL 419 4.66 10 0.78 2.22 *+ ++ +++ ++ + peak 627 Upper HE22 GLN 59 - HB VAL 419 4.66 12 0.62 1.82 ++ +++ +*+ ++ ++ peak 3966 Upper HA GLU 60 - HG2 GLU 60 3.38 6 0.05 0.24 + * + + ++ peak 2227 Upper HB2 GLU 60 - H ALA 61 4.27 8 0.11 0.38 ++ +* ++ + + peak 2249 Upper HB3 GLU 60 - H ALA 61 3.58 9 0.11 0.47 +++ +* ++ + + peak 2252 Upper HB3 GLU 60 - HE21 GLN 64 5.07 6 0.09 0.66 *+ ++ ++ peak 916 Upper HB3 GLU 60 - HE22 GLN 64 5.50 13 0.28 1.02 *+++++++ + + ++ + peak 925 Upper HB3 GLU 60 - H TYR 352 5.36 11 0.50 1.89 ++ + ++ *++++ + peak 794 HB3 PRO 97 - H TYR 352 Upper HG3 GLU 60 - HE22 GLN 64 3.84 9 0.13 0.39 * + + ++ ++ ++ peak 923 Upper HA ALA 61 - HB2 GLN 64 4.19 6 0.13 0.82 ++ + + * + peak 2330 Upper HA ALA 61 - H LEU 65 4.64 8 0.35 1.31 ++ +* + ++ + peak 207 Upper QB ALA 61 - HG LEU 62 4.48 7 0.10 0.66 +++ + + * + peak 2282 QB ALA 61 - HG LEU 362 HG LEU 62 - HB3 PRO 112 Upper QB ALA 61 - QD2 LEU 62 3.62 10 0.26 0.96 +++ +* +++ + + peak 8209 QB ALA 61 - QD2 LEU 362 Upper QB ALA 61 - HB2 LEU 65 4.91 11 0.33 1.36 ++ ++* + ++++ + peak 8142 Upper QB ALA 61 - HG LEU 65 4.48 9 0.35 1.27 ++*++ + ++ + peak 1599 Upper QB ALA 61 - HB3 LEU 362 3.54 10 1.31 4.13 ++ *++++ + + + peak 1600 Upper QB ALA 61 - QD1 LEU 362 3.65 7 0.14 1.14 + *++ +++ peak 2274 QD1 LEU 62 - HB3 PRO 112 HB3 PRO 112 - QD1 LEU 362 Upper QB ALA 61 - H PHE 392 4.29 20 1.41 2.37 +*++++++++++++++++++ peak 1166 Upper QB ALA 61 - QD PHE 392 3.25 9 0.38 1.45 ++ ++ +* + + + peak 8145 Upper QB ALA 61 - QE PHE 392 3.19 12 0.65 2.01 ++ ++++* ++ ++ + peak 8146 Upper QB ALA 61 - QB ALA 395 3.71 7 0.22 1.42 + + +++ + * peak 3310 Upper H LEU 62 - HG LEU 62 3.15 15 0.82 1.44 +*+ +++++ ++++++ + peak 884 Upper H LEU 62 - QG1 VAL 88 4.76 16 1.29 2.97 ++++ ++ ++ ++*+++++ peak 886 Upper HA LEU 62 - QG1 VAL 88 3.25 14 0.99 2.49 + ++ ++ ++ ++*++ ++ peak 8202 Upper HA LEU 62 - HG2 GLN 391 5.43 18 1.99 3.01 +++ +++++*+++++++++ peak 3222 Upper HA LEU 62 - H PHE 392 4.33 19 1.90 2.94 ++++++++*++ ++++++++ peak 428 Upper HB3 LEU 62 - QB ALA 361 3.54 14 2.07 4.19 ++ ++ +++*++++ ++ peak 1600 Upper HG LEU 62 - HA PRO 412 4.45 9 0.33 1.62 ++ ++* ++ + + peak 3742 HA PRO 112 - QB ALA 115 Upper QD1 LEU 62 - QG1 VAL 88 3.83 7 0.34 1.55 + +* +++ + peak 2270 QG1 VAL 88 - QD1 LEU 362 Upper QD1 LEU 62 - HG3 PRO 112 4.57 7 0.21 1.49 ++ +++ * + peak 3748 QD1 LEU 62 - HG3 PRO 412 Upper QD1 LEU 62 - HG3 GLU 113 4.54 9 0.68 2.33 +* ++ ++ + ++ peak 3835 Upper QD1 LEU 62 - HA ALA 116 4.63 12 0.36 1.53 ++ ++ * +++ +++ + peak 3885 QD1 LEU 62 - HA ALA 415 QD1 LEU 62 - HA ALA 416 Upper QD1 LEU 62 - QB ALA 116 3.57 12 0.62 1.74 ++ + ++ +*+++ ++ peak 8301 QB ALA 116 - QD1 LEU 362 Upper QD1 LEU 62 - H ALA 117 5.09 6 0.26 1.56 ++ ++ * + peak 1299 QD1 LEU 62 - H ALA 417 Upper QD1 LEU 62 - QG1 VAL 388 3.35 13 0.61 2.38 ++ ++ *+ ++ +++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.71 16 0.77 3.08 *+++ ++ +++ +++++++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.17 9 0.36 1.78 ++ *++ +++ + peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.32 12 0.49 2.22 + ++ + ++++++ *+ peak 8267 Upper QD1 LEU 62 - H ALA 415 4.38 20 1.83 3.19 ++++*+++++++++++++++ peak 8310 Upper QD2 LEU 62 - H LEU 65 5.38 6 0.14 0.92 * + ++ + + peak 938 QD2 LEU 62 - H LEU 365 Upper QD2 LEU 62 - HB3 LEU 65 5.50 6 0.20 1.03 +* + + + + peak 2367 QD2 LEU 62 - HB3 LEU 365 Upper QD2 LEU 62 - QD2 LEU 65 3.81 14 0.58 1.42 *+ ++ ++++++++ ++ peak 2374 QD2 LEU 62 - QD2 LEU 365 Upper QD2 LEU 62 - H ARG 66 5.50 8 0.35 1.52 ++ * + ++ + + peak 948 QD2 LEU 62 - H ARG 366 Upper QD2 LEU 62 - HA VAL 88 5.50 6 0.19 1.04 + + + + + * peak 3141 QD2 LEU 62 - HA VAL 388 Upper QD2 LEU 62 - H LEU 93 5.00 13 0.45 1.36 ++ + *+++++++ ++ peak 1173 QD2 LEU 62 - H LEU 393 Upper QD2 LEU 62 - HA PRO 112 3.55 10 0.56 2.44 ++ + + +*++ ++ peak 2289 HA PRO 112 - QD2 LEU 362 Upper QD2 LEU 62 - HG3 PRO 112 4.18 7 0.21 0.91 ++ + + + + * peak 3747 QD2 LEU 62 - HG3 PRO 412 Upper QD2 LEU 62 - H GLN 359 4.27 20 2.46 3.59 +*++++++++++++++++++ peak 8218 Upper QD2 LEU 62 - HA GLN 359 3.40 20 1.62 3.10 +*++++++++++++++++++ peak 8214 Upper QD2 LEU 62 - H VAL 388 5.13 17 1.11 2.36 +++*++++++ +++ ++++ peak 1124 Upper QD2 LEU 62 - QG2 VAL 388 3.77 11 0.38 1.40 ++ + ++*++ +++ peak 3148 Upper QD2 LEU 62 - H LEU 389 4.33 8 0.31 1.27 ++ *+ ++ + + peak 2314 QD2 LEU 62 - H ALA 416 Upper QD2 LEU 62 - H GLN 391 5.15 10 0.26 1.05 + +++ * ++++ + peak 2312 QD2 LEU 62 - H ALA 415 Upper QD2 LEU 62 - QD PHE 392 3.39 8 0.20 1.05 *+ ++ ++ + + peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.80 8 0.22 1.32 *+ ++ ++ + + peak 8216 Upper QD2 LEU 62 - HG3 PRO 412 4.00 17 0.88 2.36 + ++++ + +++++++*+++ peak 8268 Upper QD2 LEU 62 - HG3 GLU 413 4.95 17 0.50 1.26 ++++ ++ +++++++*+++ peak 3834 Upper QD2 LEU 62 - QB ALA 415 4.41 13 0.65 1.72 ++ +++ ++ + +++* + peak 1678 Upper QD2 LEU 62 - H ALA 416 4.76 8 0.65 2.23 ++ +* ++ + + peak 977 Upper HA ALA 63 - HD3 ARG 66 5.50 7 0.19 1.52 + +* + + ++ peak 2421 Upper QB ALA 63 - HE22 GLN 64 4.82 11 0.21 0.61 ++++ + + ++ +* + peak 926 Upper QB ALA 63 - HG2 GLU 413 4.83 20 3.43 5.83 +++++++++++*++++++++ peak 3841 Upper H GLN 64 - HE22 GLN 64 5.50 9 0.15 0.56 + + * + +++ + + peak 388 Upper HA GLN 64 - HE22 GLN 64 5.50 8 0.21 0.81 ++ ++ + ++ * peak 394 Upper HA GLN 64 - HG2 GLU 67 4.90 14 0.67 1.88 ++ +++++ ++*++++ peak 2454 Upper HB3 GLN 64 - H LEU 65 4.50 7 0.06 0.17 + ++ * ++ + peak 2348 Upper H LEU 65 - HG2 GLU 67 5.50 10 0.39 1.22 *+ +++ +++ ++ peak 2478 Upper HA LEU 65 - QD1 LEU 68 3.77 19 1.17 2.27 +++*++ +++++++++++++ peak 2485 Upper HB2 LEU 65 - QG1 VAL 88 3.20 11 0.31 0.88 + + + *+ +++++ + peak 3146 QB GLU 76 - QG1 VAL 77 Upper HB3 LEU 65 - H PHE 392 4.60 14 1.29 2.81 ++ ++ +++ ++++* ++ peak 1168 HB3 LEU 89 - H PHE 392 Upper QD1 LEU 65 - H GLU 67 5.50 6 0.14 0.66 +* ++ + + peak 957 QD1 LEU 65 - H GLU 367 Upper QD1 LEU 65 - H LEU 89 3.70 16 1.10 2.92 ++ ++++++ ++*+++++ peak 1132 Upper QD1 LEU 65 - QB GLN 91 4.84 6 0.15 0.88 + * ++++ peak 3218 QD1 LEU 65 - QB GLN 391 QD2 LEU 89 - QB GLN 391 Upper QD1 LEU 65 - HA PHE 92 3.44 12 0.46 1.47 ++ ++ *+ ++++ ++ peak 3230 QD1 LEU 65 - HA PHE 392 Upper QD1 LEU 65 - HA PHE 92 3.38 7 0.22 1.45 + + + *+ + + peak 2394 HA PHE 92 - QD1 LEU 365 Upper QD1 LEU 65 - QD PHE 92 3.57 7 0.15 1.08 + + ++*+ + peak 2395 QD PHE 92 - QD1 LEU 365 Upper QD1 LEU 65 - QG ARG 366 4.13 9 0.89 3.16 ++ ++ ++ *+ + peak 8283 Upper QD1 LEU 65 - HA GLN 391 4.57 14 0.83 2.32 ++ ++ +++ ++++++* peak 3219 QD2 LEU 89 - HA GLN 391 Upper QD1 LEU 65 - HG2 GLN 391 4.15 12 0.37 1.40 ++ ++++ + ++++ * peak 8284 Upper QD1 LEU 65 - QD PHE 392 3.30 17 0.78 1.97 ++++ +++ *+++++++ ++ peak 8289 Upper QD2 LEU 65 - HA VAL 88 4.87 13 0.56 1.70 + ++ +++ *++++++ peak 3140 Upper QD2 LEU 65 - QB ALA 95 4.55 11 0.40 1.10 ++ + +* ++++ ++ peak 8169 QD2 LEU 65 - QB ALA 395 Upper QD2 LEU 65 - QG ARG 366 3.88 11 0.25 0.88 +++ ++ * +++ + + peak 8295 QD2 LEU 65 - QB ALA 395 Upper QD2 LEU 65 - HG2 GLN 391 3.53 15 0.55 1.61 *++ ++ ++++ ++ ++++ peak 8296 Upper QD2 LEU 65 - HG3 GLN 391 3.84 15 0.81 1.75 +++ + ++++ +++++*+ peak 8294 Upper QD2 LEU 65 - QD PHE 392 4.14 18 0.62 1.20 +++ +*++++++ +++++++ peak 2402 Upper QD2 LEU 65 - QB ALA 395 4.09 17 1.02 2.47 + +++ ++ ++++++++++* peak 1711 Upper H ARG 66 - QG2 VAL 88 4.34 15 0.80 2.20 ++++ +*++ ++++++ + peak 944 Upper HA ARG 66 - QG1 VAL 88 4.08 20 1.42 2.44 ++++++*+++++++++++++ peak 2430 Upper HA ARG 66 - QG2 VAL 88 3.02 20 1.95 3.49 ++++++++++++++*+++++ peak 8234 Upper HA ARG 66 - QB LEU 384 4.22 15 1.78 4.41 ++++++++* + +++ + + peak 8248 Upper HA ARG 66 - QD2 LEU 387 4.15 11 0.47 1.87 ++ ++ +++ + * ++ peak 8226 Upper QB ARG 66 - HA VAL 88 4.67 11 0.62 1.77 +* + ++ ++++ ++ peak 3139 QB ARG 66 - HA VAL 388 Upper QB ARG 66 - QG2 VAL 88 3.58 12 0.41 1.27 +++++ + + +*++ + peak 3145 QB ARG 66 - QG2 VAL 388 Upper QB ARG 66 - QG2 VAL 88 3.76 7 0.27 1.22 * + + ++ ++ peak 2425 QG2 VAL 88 - QB ARG 366 Upper QG ARG 66 - H GLU 67 4.11 11 0.20 0.46 ++ +* + + ++++ + peak 953 Upper QG ARG 66 - QG1 VAL 88 3.72 15 0.81 2.09 ++*+ +++++ ++++ ++ peak 8198 Upper QG ARG 66 - QD1 LEU 365 4.13 13 1.17 2.92 +*+ + ++ +++++ ++ peak 8283 Upper QG ARG 66 - QD2 LEU 365 3.88 7 0.14 0.69 + + + *+ + + peak 8295 QB ALA 95 - QD2 LEU 365 Upper HD2 ARG 66 - H GLU 67 5.50 6 0.26 1.22 + +*+ + + peak 949 HD2 ARG 66 - H GLU 367 Upper HD2 ARG 66 - QG2 VAL 88 4.03 8 0.29 1.19 ++ + * +++ + peak 3150 HD2 ARG 66 - QG2 VAL 388 Upper HD2 ARG 66 - QE PHE 347 5.47 6 0.15 0.94 + + +++ * peak 2436 HD2 ARG 366 - H GLU 367 HD2 ARG 66 - H GLU 367 Upper H GLU 67 - HD2 ARG 70 4.74 16 0.69 2.44 ++ +++ ++++*+ +++++ peak 2601 Upper H GLU 67 - HD3 ARG 70 5.08 14 0.61 3.00 ++++ ++ + ++* ++++ peak 2602 Upper HA GLU 67 - HG3 ARG 70 4.93 18 1.23 2.11 +++*+++ +++++++++++ peak 2596 Upper HA GLU 67 - HD2 ARG 70 4.31 14 0.36 1.10 + ++++ ++ ++ +*+++ peak 2593 Upper HA GLU 67 - HD3 ARG 70 4.60 16 0.62 2.07 ++++++ + ++++++* ++ peak 2591 Upper QB GLU 67 - QD2 LEU 68 5.07 9 0.18 1.31 + + +++ ++ +* peak 2463 Upper HG3 GLU 67 - HE21 GLN 71 5.07 14 0.40 1.24 ++++ +++++ + *+++ peak 2469 Upper HG3 GLU 67 - HE22 GLN 71 5.50 13 0.39 1.35 + ++ + ++++* ++++ peak 2467 Upper HG3 GLU 67 - HA ARG 344 4.54 18 3.66 7.83 +++++ + +++++++*++++ peak 2452 Upper HG3 GLU 67 - HD3 ARG 344 5.17 12 2.17 5.71 ++ + ++ ++++++* peak 1820 Upper H LEU 68 - QD2 LEU 68 4.00 6 0.09 0.42 ++ + + +* peak 970 Upper HG LEU 68 - QE PHE 347 5.32 17 1.74 4.09 +++++++ ++++ *+++ ++ peak 2527 Upper QD2 LEU 68 - HE22 GLN 71 4.69 6 0.09 0.65 + + +*+ + peak 281 Upper H CYS 69 - H ARG 70 3.63 10 0.27 0.72 ++ ++ ++++ *+ peak 194 Upper HA CYS 69 - HB2 TRP 72 5.50 15 0.55 2.44 ++++ ++ +++ ++ + *++ peak 2638 Upper HA CYS 69 - HB3 TRP 72 5.46 6 0.27 2.07 ++ + + + * peak 2637 Upper HA CYS 69 - HD1 TRP 72 4.76 11 0.33 1.29 + ++ ++ + ++*++ peak 2537 Upper HA CYS 69 - HE3 TRP 72 3.94 13 0.82 3.38 + ++++*+ ++ ++ ++ peak 123 Upper HA CYS 69 - HB3 LEU 73 5.50 7 0.30 1.47 + + ++ +*+ peak 2554 Upper HA CYS 69 - HB3 LEU 73 5.50 6 0.13 0.69 + ++ *++ peak 2556 HA CYS 69 - QD1 LEU 87 Upper HB2 CYS 69 - HZ2 TRP 72 3.82 8 0.34 1.61 ++ + ++ ++* peak 186 Upper HB2 CYS 69 - HH2 TRP 72 4.23 9 0.29 1.44 + ++ ++ * +++ peak 200 Upper HB3 CYS 69 - HZ2 TRP 72 3.90 11 0.45 2.63 + ++ ++ ++ *+++ peak 188 Upper H ARG 70 - HE3 TRP 72 4.88 10 0.68 1.94 + ++++* ++ + + peak 136 Upper H ARG 70 - HZ2 TRP 72 4.29 10 0.33 1.15 + ++ ++ ++ + +* peak 195 H ARG 70 - HH2 TRP 72 Upper H ARG 70 - QB LEU 84 4.47 18 1.96 4.03 ++++++ ++++++*+++ ++ peak 8249 Upper H ARG 70 - QD1 LEU 84 4.03 20 2.08 3.77 +++++++++++++*++++++ peak 990 Upper HA ARG 70 - HD2 ARG 70 3.72 16 0.55 1.33 +*+ ++++++++ +++ ++ peak 214 Upper HA ARG 70 - HD3 ARG 70 3.81 6 0.18 0.96 + ++ * + + peak 1188 Upper HA ARG 70 - HD3 PRO 75 4.89 16 0.63 1.70 ++++++ ++ +++*+ ++ + peak 2688 Upper HA ARG 70 - QD1 LEU 84 3.24 20 1.95 4.12 +++++++++++++*++++++ peak 2996 Upper QB ARG 70 - H ARG 74 4.01 10 0.26 1.17 *+ ++ +++ + ++ peak 995 H ARG 74 - QG PRO 75 Upper HG2 ARG 70 - H ARG 74 5.50 7 0.19 1.35 + + + * + ++ peak 3659 H ARG 74 - HG2 ARG 370 Upper HG2 ARG 70 - H ARG 74 5.50 11 0.48 2.40 *++ + ++ + ++ ++ peak 2608 Upper HG2 ARG 70 - HB2 LEU 373 4.66 6 0.10 0.61 ++ + *+ + peak 1902 HB2 LEU 73 - QE MET 83 HB2 LEU 73 - QB LEU 84 HB3 LEU 73 - QB LEU 84 Upper HG2 ARG 70 - HB3 LEU 373 3.58 18 1.65 3.57 ++*+++++++++ + +++++ peak 2574 Upper HG3 ARG 70 - HA GLN 71 5.40 8 0.23 0.94 ++* ++ + + + peak 2594 HG3 ARG 70 - HD2 PRO 75 Upper HG3 ARG 70 - HB3 LEU 373 3.90 15 1.82 4.48 ++++++* +++ + ++ ++ peak 2572 Upper HD2 ARG 70 - HA GLN 71 5.45 11 0.28 1.34 +++ +*+ + + +++ peak 2592 HD2 ARG 70 - HD2 PRO 75 Upper HD2 ARG 70 - HB3 LEU 73 5.50 9 0.31 1.23 ++ ++ + + + * + peak 2570 HB3 LEU 73 - HD2 ARG 370 HD2 ARG 70 - QD1 LEU 84 Upper HD2 ARG 70 - H ARG 74 5.50 18 1.59 3.96 ++*+++ +++++ +++++++ peak 2606 Upper HD3 ARG 70 - HA GLN 71 4.92 12 0.60 2.04 + *+ ++ ++ ++ ++ + peak 2590 HD3 ARG 70 - HD2 PRO 75 Upper HD3 ARG 70 - H ARG 74 5.50 15 0.99 3.23 + *+++ + ++ +++++++ peak 2605 Upper HD3 ARG 70 - HB3 LEU 373 4.58 15 1.14 3.61 ++*+++++ +++ + + + + peak 2567 Upper H GLN 71 - HG3 GLN 71 4.05 7 0.12 0.58 + + ++ + + * peak 272 Upper H TRP 72 - HG LEU 73 5.50 14 0.32 0.68 ++ +++ +++ + ++ * ++ peak 1935 Upper H TRP 72 - QG1 VAL 377 4.08 19 2.42 4.81 ++++++*+ +++++++++++ peak 8204 Upper HB2 TRP 72 - HB3 LEU 73 5.50 15 0.56 1.38 *+ +++ ++++++++ + + peak 2636 Upper HB3 TRP 72 - HE3 TRP 72 4.10 10 0.06 0.12 + ++++* ++ ++ peak 124 Upper HB3 TRP 72 - HB3 LEU 73 5.50 16 0.75 1.60 ++ ++*+++ +++++ ++ + peak 2634 Upper HE3 TRP 72 - QD2 LEU 387 4.19 16 1.64 3.15 ++ ++ ++ +++++*++ ++ peak 8228 Upper HE1 TRP 72 - HB3 LEU 73 5.50 18 1.06 2.50 ++ ++*+++ ++++++++++ peak 255 Upper HE1 TRP 72 - QD2 LEU 73 5.50 11 0.46 1.99 + + ++++ + *+++ peak 1791 Upper HE1 TRP 72 - HA LEU 87 5.31 17 1.84 3.28 ++++++++* ++++++++ peak 250 Upper HZ2 TRP 72 - HB3 LEU 73 4.65 18 0.91 2.38 ++ ++++++ +++++++*++ peak 191 Upper HZ2 TRP 72 - QD2 LEU 86 4.06 15 1.37 3.03 ++ +* +++ ++++++++ peak 3078 Upper HZ2 TRP 72 - HA LEU 87 4.43 14 0.65 1.72 +* ++ +++ +++++++ peak 121 Upper HZ2 TRP 72 - HG LEU 87 3.93 16 0.96 3.03 + ++++++ ++ *++++++ peak 190 Upper HZ2 TRP 72 - QD2 LEU 87 3.85 14 0.82 2.14 +++++ +++ +* ++++ peak 192 Upper HZ2 TRP 72 - QD2 LEU 387 3.94 16 1.07 2.57 ++ *+ ++ ++++++++ ++ peak 8227 Upper HH2 TRP 72 - HA LEU 87 3.94 14 0.69 1.76 ++ + ++++ +++++*+ peak 120 Upper HH2 TRP 72 - QD2 LEU 87 3.30 11 0.48 1.91 + + +++ +* ++++ peak 3090 Upper H LEU 73 - QD1 LEU 73 3.64 16 0.48 1.15 ++ ++*+++ + +++++++ peak 1928 Upper H LEU 73 - HD2 PRO 75 4.79 18 1.56 2.27 ++++++ *++++ +++++++ peak 2707 Upper H LEU 73 - HD3 PRO 75 5.05 19 1.17 2.08 +*++++ +++++++++++++ peak 2703 Upper HA LEU 73 - QE MET 83 4.47 8 0.21 0.98 ++ *+ + + + + peak 1641 QD ARG 74 - QE MET 83 Upper HB3 LEU 73 - HD3 PRO 75 5.50 10 0.21 0.71 ++* ++ + ++++ peak 2681 Upper HB3 LEU 73 - HG3 MET 83 5.50 18 0.87 1.93 ++++++ +++++++++++* peak 1898 Upper HB3 LEU 73 - QE MET 83 4.70 11 0.51 1.64 *+ +++ ++++ ++ peak 1897 HB3 LEU 73 - QB LEU 84 Upper HB3 LEU 73 - HG2 ARG 370 3.58 20 2.68 6.02 +++++++++++*++++++++ peak 2574 Upper HB3 LEU 73 - HG3 ARG 370 3.90 18 2.86 5.59 +++ *++++++++++++++ peak 2572 Upper HB3 LEU 73 - HD3 ARG 370 4.58 19 2.27 5.56 ++++++++++++*++ ++++ peak 2567 Upper HG LEU 73 - QD2 LEU 387 3.11 18 1.55 4.63 ++ + ++++*++++++++++ peak 8229 Upper QD1 LEU 73 - H MET 83 5.50 15 0.69 2.04 ++ ++++++++ ++++* peak 1073 Upper QD1 LEU 73 - HA MET 83 5.50 15 0.64 1.62 ++++ ++++++++* ++ peak 2972 Upper QD1 LEU 73 - HB3 MET 83 5.27 12 0.48 1.56 ++++ +++ + ++ + * peak 2963 Upper QD1 LEU 73 - QE MET 83 3.11 15 0.77 2.28 ++++ +++ *++++ ++ + peak 1635 Upper QD1 LEU 73 - HG LEU 84 3.89 8 0.22 0.95 + ++ +++ *+ peak 2993 QD1 LEU 73 - HG LEU 384 Upper QD1 LEU 73 - H LEU 86 5.50 18 0.94 1.89 + *+ +++++++++++++++ peak 1100 Upper QD1 LEU 73 - H LEU 87 5.50 18 0.69 1.78 ++++++++++ ++++++*+ peak 1927 Upper QD1 LEU 73 - HB2 LEU 87 5.50 9 0.25 1.24 + + ++++ + + * peak 3130 Upper QD1 LEU 73 - QD1 LEU 87 3.29 8 0.29 1.50 + + ++ *+ ++ peak 3115 Upper QD1 LEU 73 - QG1 VAL 377 3.02 18 1.34 2.60 + +++++*+++++++++++ peak 8196 Upper QD1 LEU 73 - QD1 LEU 384 2.73 11 0.82 3.17 ++ + + + ++ ++* + peak 8312 Upper QD1 LEU 73 - HG LEU 387 3.40 15 1.23 4.22 ++++ + +* ++++++++ peak 8278 Upper QD1 LEU 73 - QD1 LEU 387 3.02 12 0.90 2.51 + + +++ +++*+++ peak 8270 Upper QD1 LEU 73 - QD2 LEU 387 3.53 6 0.28 1.53 ++ *+++ peak 8280 Upper QD2 LEU 73 - H MET 83 5.50 13 0.62 1.52 ++ * ++++ + +++++ peak 1072 Upper QD2 LEU 73 - HA MET 83 3.96 15 1.27 2.76 + ++ *+ ++++ + +++++ peak 1784 Upper QD2 LEU 73 - HB3 MET 83 5.50 7 0.20 1.02 ++ *+ + + + peak 2964 Upper QD2 LEU 73 - H LEU 86 4.89 12 0.67 2.30 ++ + ++ *++++++ peak 1786 Upper QD2 LEU 73 - HG LEU 86 4.41 19 1.29 2.67 +++++++ +++++*++++++ peak 3066 Upper QD2 LEU 73 - QD1 LEU 86 2.98 20 1.73 2.81 ++*+++++++++++++++++ peak 3068 Upper QD2 LEU 73 - H LEU 87 4.45 14 0.74 2.38 ++++++++++ * +++ peak 1102 Upper QD2 LEU 73 - QD1 LEU 384 3.83 13 1.08 2.64 ++ + + ++++++ * ++ peak 3067 Upper QD2 LEU 73 - QD2 LEU 386 3.92 13 1.37 3.65 ++ + +*+ +++++++ peak 8187 Upper QD2 LEU 73 - QD1 LEU 387 3.74 9 0.72 2.60 + + ++ ++ + *+ peak 8186 Upper H ARG 74 - HD2 PRO 75 3.52 15 0.45 1.31 *++++ +++ + + +++++ peak 313 Upper H ARG 74 - HD3 PRO 75 3.50 8 0.32 1.36 +*+ + + +++ peak 994 Upper H ARG 74 - H GLU 76 4.81 19 0.65 2.02 ++ ++*++++++++++++++ peak 292 Upper H ARG 74 - QG2 VAL 77 5.32 7 0.18 1.05 + * + + +++ peak 1739 Upper H ARG 74 - QD1 LEU 84 4.22 14 0.52 1.97 +++* + +++++ ++ ++ peak 3026 Upper HA ARG 74 - QD ARG 74 4.17 8 0.09 0.42 + + + *+++ + peak 2653 Upper HB3 ARG 74 - HD2 PRO 75 3.83 9 0.23 1.12 + + ++* + ++ + peak 2684 Upper HB3 ARG 74 - HD3 PRO 75 3.73 14 0.56 1.17 +++ +++* ++++ +++ peak 2677 Upper QG ARG 74 - H ARG 78 4.18 19 0.58 1.82 +++++* +++++++++++++ peak 2673 Upper QD ARG 74 - H ARG 78 5.03 18 0.52 1.08 + +++* +++++++++++++ peak 2669 Upper HA PRO 75 - QG1 VAL 77 3.96 9 0.25 1.40 + + + *++ + + + peak 2694 Upper HD2 PRO 75 - QG2 VAL 77 4.93 19 0.99 1.89 ++++++ ++++++++++*++ peak 1735 Upper HD2 PRO 75 - QD1 LEU 84 3.59 13 0.83 2.52 ++ + ++++++ * + ++ peak 3006 Upper HD3 PRO 75 - QD1 LEU 84 4.45 9 0.28 1.65 + + *+ +++ + + peak 2680 Upper H GLU 76 - QG2 VAL 77 4.24 14 0.41 1.40 + ++++++ + + + +*++ peak 1741 Upper H GLU 76 - QD1 LEU 84 5.50 8 0.30 1.40 ++ * + ++ + + peak 1008 Upper HG2 GLU 76 - QG1 VAL 77 3.68 6 0.21 1.22 +* ++ + + peak 2779 Upper HG3 GLU 76 - QG1 VAL 77 3.58 15 0.32 0.96 +++ + +*+++ ++++ ++ peak 2753 Upper H VAL 77 - HG3 ARG 78 5.50 10 0.18 0.51 + ++ + +++* ++ peak 2832 Upper HB VAL 77 - QE MET 83 2.95 16 0.76 2.44 + ++++++++++*+ + ++ peak 1638 Upper QG1 VAL 77 - H TRP 372 4.08 18 2.48 5.07 ++++++++++ +*++ ++++ peak 8204 Upper QG1 VAL 77 - QD1 LEU 373 3.02 20 1.84 3.54 ++++++++++*+++++++++ peak 8196 Upper QG2 VAL 77 - HG2 ARG 78 3.99 10 0.20 1.00 ++++ +* + + + + peak 2817 Upper QG2 VAL 77 - H SER 79 5.44 7 0.19 1.18 + + + *+ ++ peak 2766 Upper HD2 ARG 78 - QE MET 83 3.91 11 0.25 0.89 +++ + ++ *+++ + peak 1642 Upper HD3 ARG 78 - H SER 79 4.84 8 0.07 0.24 * + + +++ ++ peak 1030 Upper HB2 SER 79 - HG2 GLU 81 5.50 6 0.09 0.51 + ++ * + + peak 3034 Upper HA LYS 80 - H LEU 84 5.50 9 0.19 0.72 *+ + ++ + ++ + peak 2904 Upper HB2 LYS 80 - QD1 LEU 84 5.50 8 0.15 0.77 + +*+ + +++ peak 2860 Upper QD LYS 80 - QD1 LEU 84 5.42 9 0.14 0.84 + *++++ + + + peak 2853 Upper HE2 LYS 80 - H GLN 82 5.50 11 0.17 0.51 +* + ++ +++++ + peak 1054 Upper H GLN 82 - QE MET 83 5.50 8 0.11 0.30 * +++ + +++ peak 1646 QE MET 83 - H GLU 85 Upper H MET 83 - HG2 MET 83 4.02 12 0.24 0.66 +++ + ++*++ +++ peak 1068 Upper H MET 83 - QE MET 83 4.14 12 0.21 0.56 ++ ++ +++ * +++ + peak 1070 Upper HG2 MET 83 - QD2 LEU 87 4.77 16 0.73 2.09 ++++ +++++*+ +++++ peak 2961 Upper QE MET 83 - QD1 LEU 84 2.57 18 0.67 1.42 +++*++ ++++++++++++ peak 1636 Upper H LEU 84 - H LEU 86 4.61 6 0.13 0.61 + + + + + * peak 361 Upper HA LEU 84 - H VAL 88 5.50 13 0.46 1.21 ++ +*++++ + + +++ peak 3020 Upper QB LEU 84 - H GLU 85 3.59 8 0.11 0.37 + + + + + *++ peak 1087 Upper QB LEU 84 - H VAL 88 5.50 14 0.50 1.20 +++ +++*++++ + ++ peak 3015 Upper QB LEU 84 - HA ARG 366 4.22 19 3.18 5.24 ++++++++ +++++++++*+ peak 8248 Upper QD1 LEU 84 - H LEU 86 5.50 9 0.18 1.03 + +++* + + + + peak 3023 Upper H LEU 86 - HB3 LEU 87 5.50 6 0.08 0.38 +* + + ++ peak 3103 Upper H LEU 86 - HG LEU 87 5.42 6 0.11 0.60 *+ ++ + + peak 3099 Upper HA LEU 86 - H LEU 89 4.40 16 0.94 2.70 *++++ + ++++++ ++++ peak 3088 Upper HA LEU 86 - HB2 LEU 89 5.06 8 0.34 1.34 +++ + * ++ + peak 1888 Upper HA LEU 86 - HB3 LEU 89 4.51 11 0.30 1.14 + + * +++ + +++ + peak 1886 Upper HG LEU 86 - H LEU 87 4.74 8 0.20 0.98 +* ++ ++ + + peak 3076 Upper QD2 LEU 86 - QD1 LEU 87 2.40 6 0.24 1.04 ++ *+ + + peak 3049 Upper QD2 LEU 86 - QD2 LEU 373 3.92 18 1.56 3.09 ++ +++ +++++++++++*+ peak 8187 Upper QD2 LEU 86 - QB LEU 384 3.74 16 3.15 4.76 *++++ + ++++++++ ++ peak 2998 Upper H LEU 87 - HG LEU 87 3.81 8 0.16 0.76 + ++ * ++ + + peak 3100 Upper H LEU 87 - H VAL 88 3.45 6 0.11 0.74 + + * + + + peak 364 Upper H LEU 87 - QG2 VAL 88 4.49 8 0.14 0.64 * + + + +++ + peak 1107 Upper HA LEU 87 - QD2 LEU 87 3.16 13 0.21 0.68 ++++ +++ + + ++*+ peak 847 HA LEU 87 - QD2 LEU 387 Upper HG LEU 87 - QD1 LEU 373 3.40 20 1.65 3.14 +++++++*++++++++++++ peak 8278 Upper QD1 LEU 87 - QD1 LEU 373 3.02 17 1.09 2.44 ++++++ +*++++++ ++ + peak 8270 Upper QD1 LEU 87 - QD2 LEU 373 3.74 11 0.50 1.99 + +++++ + * +++ peak 8186 Upper QD2 LEU 87 - HA ARG 366 4.15 13 0.81 2.59 ++ + + + +*++ ++++ peak 8226 Upper QD2 LEU 87 - HE3 TRP 372 4.19 15 1.14 2.88 +++++ ++* +++ ++++ peak 8228 Upper QD2 LEU 87 - HZ2 TRP 372 3.94 7 0.34 1.68 ++ + *+ + + peak 8227 Upper QD2 LEU 87 - HG LEU 373 3.11 16 1.29 3.08 *++++ ++ +++ ++++++ peak 8229 Upper QD2 LEU 87 - QD1 LEU 373 3.53 10 0.44 1.45 * ++ ++ ++ + + + peak 8280 Upper H VAL 88 - HB3 LEU 89 4.55 7 0.20 0.84 + * ++ ++ + peak 1120 Upper H VAL 88 - H GLU 90 5.04 11 0.25 1.08 + ++* + + +++ ++ peak 405 Upper H VAL 88 - QD2 LEU 362 5.13 18 1.59 2.94 *+++++++ ++++++++ ++ peak 1124 Upper HA VAL 88 - H PHE 92 5.50 7 0.20 1.33 +* + ++ + + peak 3158 Upper HB VAL 88 - H PHE 92 5.12 16 0.85 2.49 ++++++ ++ +* ++++++ peak 1165 Upper QG1 VAL 88 - H LEU 89 3.22 9 0.16 0.63 + * + + +++ ++ peak 1139 Upper QG1 VAL 88 - H GLN 91 3.97 15 0.72 1.81 +++ ++ + + +++++++* peak 1159 Upper QG1 VAL 88 - HG2 PRO 112 4.80 7 0.16 0.66 + ++ + ++ * peak 3789 QG1 VAL 88 - HG2 PRO 412 Upper QG1 VAL 88 - HG3 PRO 112 3.65 17 0.73 1.77 +++*++++ +++ ++++ ++ peak 3777 QG1 VAL 88 - HG3 PRO 412 Upper QG1 VAL 88 - QD1 LEU 362 3.35 17 1.15 2.36 ++++++ +++*+ ++++++ peak 8300 Upper QG1 VAL 88 - HA PRO 412 4.37 7 0.21 0.90 + +++ ++ * peak 3743 QD1 LEU 93 - HA PRO 412 Upper QG2 VAL 88 - QD2 LEU 362 3.77 17 0.75 2.29 *+++++ + ++++++++ ++ peak 3148 Upper QG2 VAL 88 - HG2 PRO 412 3.71 17 1.76 3.40 ++++ ++ +++++++++ *+ peak 8232 Upper QG2 VAL 88 - HG3 PRO 412 4.28 15 1.13 2.84 ++++ ++ ++* ++++ ++ peak 3778 Upper H LEU 89 - HB2 PHE 92 5.50 8 0.33 3.35 ++*+ + +++ peak 473 Upper H LEU 89 - HG2 PRO 112 5.50 7 0.21 0.99 + ++ ++* + peak 3811 H LEU 89 - HG2 PRO 412 Upper H LEU 89 - HG3 PRO 112 4.67 11 0.46 2.21 ++ + + ++ +*+ ++ peak 3813 H LEU 89 - HG3 PRO 412 Upper H LEU 89 - QD2 LEU 362 4.33 13 0.53 1.51 + +++ ++ ++*++ ++ peak 2314 H ALA 116 - QD2 LEU 362 Upper H LEU 89 - HA PRO 412 5.33 9 0.23 0.90 + ++ + ++* ++ peak 3805 HA PRO 112 - H ALA 116 Upper HA LEU 89 - QD2 LEU 89 2.93 9 0.17 0.57 +++ +* + + + + peak 856 Upper HB2 LEU 89 - H GLU 90 3.45 18 0.77 1.19 +++++++++++++++++* peak 1144 Upper HB2 LEU 89 - HA PRO 112 4.85 18 1.25 3.19 +++++ ++++*++ ++++++ peak 3741 Upper HB3 LEU 89 - HD2 PRO 112 5.50 14 0.64 2.31 ++ * +++++++ +++ + peak 3774 Upper HG LEU 89 - H PHE 392 4.01 19 2.55 4.96 + +++++++++++++++++* peak 1167 Upper QD1 LEU 89 - H GLY 110 4.84 18 1.50 3.10 *+++++++++ +++++ +++ peak 1258 Upper QD1 LEU 89 - HA2 GLY 110 5.50 17 0.89 2.11 ++++++++* +++++ +++ peak 3713 Upper QD1 LEU 89 - HA3 GLY 110 5.35 12 0.46 1.41 ++++++ ++ + * ++ peak 3715 Upper QD1 LEU 89 - HA SER 111 3.83 6 0.31 1.31 +* + ++ + peak 3737 Upper QD2 LEU 89 - QD PHE 92 4.17 15 0.95 3.21 ++++++*+ +++ + + ++ peak 3200 Upper QD2 LEU 89 - H SER 111 5.17 16 0.73 3.34 +*+++++++++ +++ ++ peak 3199 Upper QD2 LEU 89 - HA PRO 112 3.80 16 0.82 2.13 ++*++ +++++ ++ ++++ peak 3744 Upper QD2 LEU 89 - HG3 PRO 412 3.34 15 1.13 3.08 +++ +++++ +++++ *+ peak 3776 Upper H GLU 90 - QE PHE 347 4.61 19 1.79 4.08 ++ +*+++++++++++++++ peak 402 Upper QB GLU 90 - QE PHE 347 4.97 10 0.73 3.50 * + + + ++ +++ + peak 3205 Upper H GLN 91 - HZ PHE 347 4.22 12 0.98 3.18 *+ ++ ++ ++ +++ + peak 1150 Upper H GLN 91 - QD2 LEU 362 5.15 15 0.39 1.43 +++ + +++* ++++ +++ peak 2312 H ALA 115 - QD2 LEU 362 Upper HA GLN 91 - H ALA 95 5.16 13 0.49 2.52 ++++++*+++ + + + peak 1860 Upper HA GLN 91 - HZ PHE 347 4.42 19 1.75 4.94 ++++++++++++*++++++ peak 87 Upper HA GLN 91 - QD1 LEU 365 4.57 15 0.99 2.44 +++ *++++ ++++ +++ peak 3219 HA GLN 91 - QD2 LEU 389 Upper HG2 GLN 91 - HA LEU 362 5.43 19 2.01 2.93 +*+++++++++++++++++ peak 3222 Upper HG2 GLN 91 - QD1 LEU 365 4.15 17 0.49 1.28 ++++*+ + ++++++++++ peak 8284 Upper HG2 GLN 91 - QD2 LEU 365 3.53 19 0.79 1.63 +++++*+++++++++++++ peak 8296 Upper HG3 GLN 91 - QD2 LEU 365 3.84 15 0.73 2.42 +++++*+ + +++++ ++ peak 8294 Upper HE22 GLN 91 - H ALA 95 5.05 15 0.96 2.61 +++ +* +++ +++++++ peak 446 Upper HE22 GLN 91 - QB ALA 95 4.10 8 0.19 0.93 + ++ + + + + * peak 1719 Upper H PHE 92 - H ALA 95 5.50 6 0.10 0.59 + +++ * + peak 426 Upper H PHE 92 - QB ALA 361 4.29 20 1.62 3.07 +++++++*++++++++++++ peak 1166 Upper H PHE 92 - HA LEU 362 4.33 20 2.25 3.01 +++*++++++++++++++++ peak 428 Upper H PHE 92 - HB3 LEU 365 4.60 16 1.14 2.64 +++++++*++ +++ +++ peak 1168 H PHE 92 - HB3 LEU 389 Upper H PHE 92 - HG LEU 389 4.01 18 2.33 5.14 +++ +++++++*++++ +++ peak 1167 Upper QD PHE 92 - QD2 LEU 93 4.43 13 0.41 0.99 ++ + ++++*+++ ++ peak 3289 Upper QD PHE 92 - QD2 LEU 96 4.53 19 0.90 2.02 +*+++++++++++ ++++++ peak 153 QD2 LEU 96 - QD PHE 392 Upper QD PHE 92 - HB3 PRO 358 3.76 20 1.14 2.98 ++++++*+++++++++++++ peak 8254 Upper QD PHE 92 - HB3 PRO 358 4.22 8 0.25 2.35 + *+ + ++ ++ peak 152 QD PHE 92 - HB2 PRO 412 Upper QD PHE 92 - QB ALA 361 3.25 17 0.72 1.70 +++ +*++++++++++++ peak 8145 Upper QD PHE 92 - QD1 LEU 365 3.30 17 0.80 2.01 ++++++++*+ ++ +++++ peak 8289 Upper QD PHE 92 - QD2 LEU 365 4.14 17 0.79 1.98 ++*+ ++++ +++++++++ peak 2402 Upper QE PHE 92 - QD2 LEU 96 4.87 7 0.16 0.82 ++ + *+ ++ peak 167 QD2 LEU 96 - QE PHE 392 Upper QE PHE 92 - QQG VAL 104 4.97 11 0.28 0.91 + +++ + +++ + *+ peak 3580 Upper QE PHE 92 - QG1 VAL 119 4.28 10 0.15 0.56 +++ + ++++ +* peak 3973 Upper QE PHE 92 - QG2 VAL 119 5.50 12 0.33 1.08 + + ++++++* + ++ peak 3977 Upper QE PHE 92 - HG2 PRO 358 4.05 15 0.61 2.49 ++++ * +++ ++++++ + peak 157 Upper QE PHE 92 - QB ALA 361 3.19 17 1.06 1.78 +++ ++++*+++++++++ peak 8146 Upper QE PHE 92 - H GLY 394 4.49 9 1.48 4.60 ++ +* ++ ++ + peak 130 Upper HZ PHE 92 - QD1 LEU 96 4.96 11 0.60 1.47 +* ++ +++++ ++ peak 182 QD1 LEU 96 - HZ PHE 392 Upper HZ PHE 92 - QD2 LEU 96 5.23 15 0.68 1.56 +++* + ++++++++ ++ peak 183 QD2 LEU 96 - HZ PHE 392 Upper HZ PHE 92 - QB ALA 115 4.21 12 0.29 0.76 + ++++ + + *++ + + peak 178 Upper HZ PHE 92 - HA ALA 116 3.91 10 0.43 1.53 *+ + +++++ ++ peak 117 Upper HZ PHE 92 - QG1 VAL 119 3.50 18 1.31 2.67 +++*++ ++++++++++ ++ peak 174 Upper HZ PHE 92 - HA PRO 358 4.37 18 1.64 2.84 ++* +++++++++++++++ peak 116 Upper HZ PHE 92 - HB2 PRO 358 3.63 19 0.82 1.89 +*++ +++++++++++++++ peak 168 Upper HZ PHE 92 - HB3 PRO 358 3.61 14 0.80 1.57 +++ + ++ ++*+++++ peak 170 HZ PHE 92 - QB GLN 359 Upper HZ PHE 92 - QD1 LEU 362 3.71 9 0.51 3.19 ++ * + ++ + + + peak 8306 Upper H LEU 93 - QD1 LEU 96 5.50 10 0.41 1.43 ++ + +++ + + * + peak 3357 Upper HA LEU 93 - QD2 LEU 93 3.24 10 0.15 0.49 +++ * ++ ++ ++ peak 881 HA2 GLY 94 - QD2 LEU 393 Upper HA LEU 93 - QD2 LEU 93 3.27 11 0.16 0.52 +++ + + +* ++ ++ peak 391 Upper HA LEU 93 - QD2 LEU 96 4.78 14 0.64 1.37 +++ ++++++++ *++ peak 3260 Upper HA LEU 93 - HE22 GLN 105 5.50 9 0.34 1.35 + +++* ++ + + peak 521 HA2 GLY 94 - HE22 GLN 105 Upper HA LEU 93 - QB ALA 395 4.31 16 2.83 4.99 +++++ ++ *+ +++++ ++ peak 3274 Upper HB2 LEU 93 - QB ALA 415 3.49 6 0.16 1.35 + + ++ + * peak 1683 HB3 PRO 109 - QB ALA 115 QB ALA 115 - HG LEU 118 Upper HB3 LEU 93 - H GLY 94 3.96 11 0.13 0.33 ++ +++ *+ + ++ + peak 1178 Upper HG LEU 93 - QB ALA 415 3.50 11 0.50 1.45 ++ + + +*+++ ++ peak 1684 HB2 PRO 109 - QB ALA 115 Upper QD1 LEU 93 - HG3 PRO 109 3.46 17 1.36 2.86 ++ ++*+++++++ ++ +++ peak 3270 Upper QD1 LEU 93 - HD3 PRO 109 4.08 20 2.29 3.58 +++++*++++++++++++++ peak 3275 Upper QD1 LEU 93 - H GLY 394 4.17 15 1.61 3.12 + +++ ++ ++ ++++* ++ peak 1179 Upper QD1 LEU 93 - H SER 411 4.62 15 0.80 2.83 ++++++ ++ +*++++ + peak 1265 Upper QD1 LEU 93 - HA PRO 412 3.79 18 1.06 2.26 +++++ +++++*++++ +++ peak 3279 Upper QD1 LEU 93 - HA GLU 414 4.15 19 2.18 3.93 ++++ ++++*++++++++++ peak 3287 Upper QD1 LEU 93 - HG2 GLU 414 3.81 19 1.68 2.60 ++++++++++ ++++*++++ peak 3273 Upper QD1 LEU 93 - HG3 GLU 414 3.96 18 1.36 2.39 +++++*+++ +++++++++ peak 3876 Upper QD2 LEU 93 - H GLY 94 4.77 11 0.28 0.68 ++ +* +++++ ++ peak 1180 QD2 LEU 93 - H GLY 394 Upper QD2 LEU 93 - H GLN 105 5.50 10 0.28 1.44 ++ ++++ + + *+ peak 3295 Upper QD2 LEU 93 - HA GLN 105 3.75 19 1.13 3.52 +++++*++++++++++ +++ peak 3278 Upper QD2 LEU 93 - QG GLN 105 4.74 6 0.24 1.49 + *+ + ++ peak 3269 Upper QD2 LEU 93 - HG3 PRO 109 3.73 9 1.05 3.83 ++ +*+++ + + peak 3266 Upper QD2 LEU 93 - HA GLU 414 4.50 20 3.02 5.01 ++++++++++++++++++*+ peak 3288 Upper QD2 LEU 93 - H ALA 415 4.70 13 0.96 2.15 ++ + ++++++++ *+ peak 3293 Upper H GLY 94 - QD1 LEU 96 4.87 8 0.29 1.07 ++ +* ++ + + peak 1181 QD1 LEU 96 - H GLY 394 Upper H GLY 94 - HE22 GLN 101 5.50 8 0.28 1.43 +* ++ ++ + + peak 433 Upper H GLY 94 - QE PHE 392 4.49 13 2.73 5.45 ++ + +++ +*+++ ++ peak 130 Upper H GLY 94 - QD1 LEU 393 4.17 15 0.94 2.83 +*++++ ++ ++ +++ + + peak 1179 Upper HA2 GLY 94 - HE21 GLN 101 3.56 10 0.95 2.77 ++ +++++ + * + peak 455 Upper HA2 GLY 94 - QD1 LEU 396 3.38 18 3.72 6.64 +++++++ +++*+++++++ peak 3332 Upper HA3 GLY 94 - HE22 GLN 101 5.18 9 0.64 2.13 ++ ++ +* ++ + peak 3306 HE22 GLN 101 - HA3 GLY 394 Upper H ALA 95 - QD1 LEU 96 4.56 8 0.35 1.12 *+ + ++ + + + peak 1113 QD1 LEU 96 - H ALA 395 Upper H ALA 95 - QB TYR 352 5.13 14 0.57 1.46 ++ +++++* ++++ + + peak 1114 Upper H ALA 95 - QD PHE 392 3.21 9 0.35 1.12 ++ + *+ +++ + peak 445 H ALA 395 - H LEU 396 Upper H ALA 95 - QD2 LEU 396 4.77 12 2.82 5.24 ++ + +* +++++ ++ peak 1112 Upper QB ALA 95 - HB3 PHE 350 4.79 17 0.75 1.62 ++ +++++++ *+++ ++++ peak 2008 Upper QB ALA 95 - QD PHE 350 3.01 20 0.61 1.33 ++++++++++++*+++++++ peak 278 Upper QB ALA 95 - QE PHE 350 3.34 9 0.33 1.19 + + +*+ + + ++ peak 8164 Upper QB ALA 95 - H HIS 351 5.08 20 0.95 1.29 +++++++++*++++++++++ peak 787 Upper QB ALA 95 - HB2 HIS 351 5.20 20 1.41 2.20 +++++++++*++++++++++ peak 2051 Upper QB ALA 95 - HA TYR 352 3.95 19 0.80 1.33 ++++*++++++++++++++ peak 8166 Upper QB ALA 95 - QD TYR 352 3.68 17 0.42 1.24 +++++ +*+++++++ +++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.34 20 1.49 2.34 +++++++*++++++++++++ peak 8176 Upper QB ALA 95 - QB ALA 361 3.71 7 0.33 1.65 + ++ ++ * + peak 3310 Upper QB ALA 95 - QD2 LEU 365 4.09 13 0.81 2.51 +++ +++++ *++ + + peak 1711 Upper QB ALA 95 - HA LEU 393 4.31 9 1.56 5.39 ++ +++++ + * peak 3274 Upper H LEU 96 - QD1 LEU 96 3.78 9 0.29 1.00 ++ *+ ++ + + + peak 1188 QD1 LEU 96 - H LEU 396 Upper HA LEU 96 - H GLN 101 5.50 14 0.38 1.02 ++ ++ ++ +*+++ +++ peak 3367 Upper HB2 LEU 96 - HA GLN 101 3.93 10 0.32 0.96 + + + *+ ++ + ++ peak 3509 Upper HB2 LEU 96 - HG2 GLN 101 4.53 8 0.19 0.78 + ++ + * + ++ peak 4096 HG12 ILE 100 - HG2 GLN 101 Upper HB2 LEU 96 - HE21 GLN 101 4.34 13 0.57 1.66 +++*++++++++ + peak 1198 Upper HB3 LEU 96 - QD2 LEU 96 3.05 7 0.04 0.14 +* ++ + + + peak 1743 Upper HB3 LEU 96 - HE22 GLN 101 5.22 8 0.22 0.68 + + * ++++ + peak 1208 Upper HB3 LEU 96 - HE21 GLN 359 4.94 16 1.70 3.37 ++++ + +*+++++++++ peak 851 Upper HG LEU 96 - QG1 VAL 119 4.28 6 0.16 0.86 + + + *++ peak 3952 Upper HG LEU 96 - QG2 VAL 119 3.82 12 0.43 1.27 ++++++ * ++++ + peak 3956 Upper QD1 LEU 96 - H ILE 100 4.55 17 0.55 1.26 +++++ +++ ++++*++++ peak 234 Upper QD1 LEU 96 - H VAL 104 4.92 6 0.20 0.98 + *++ + + peak 3356 Upper QD1 LEU 96 - HA VAL 104 5.50 12 0.51 1.47 +* + ++ +++++++ peak 3590 Upper QD1 LEU 96 - HB VAL 104 4.47 8 0.17 0.75 * + ++ + + + + peak 3589 Upper QD1 LEU 96 - H GLN 105 5.29 10 0.18 0.81 +++ + + *+ + ++ peak 1220 Upper QD1 LEU 96 - H VAL 119 5.05 7 0.17 0.68 + ++ * + ++ peak 1314 Upper QD1 LEU 96 - HA VAL 119 4.95 6 0.15 0.85 + + + + + * peak 3947 Upper QD1 LEU 96 - QD TYR 352 4.32 10 0.38 1.46 ++ ++ +*+ + + + peak 251 Upper QD1 LEU 96 - QE TYR 352 4.57 7 0.13 0.49 ++ + +* + + peak 239 Upper QD1 LEU 96 - HE22 GLN 359 3.70 10 0.30 1.13 ++ * ++ + +++ + peak 3353 H LEU 396 - QD1 LEU 396 QD1 LEU 96 - H LEU 396 Upper QD1 LEU 96 - HA2 GLY 394 3.38 14 2.65 7.23 +++ ++ *++ + + + +++ peak 3332 Upper QD2 LEU 96 - HG2 PRO 97 4.99 10 0.28 1.26 ++ + ++ +*+++ peak 1748 Upper QD2 LEU 96 - HD2 PRO 97 4.15 10 0.22 0.73 ++ + ++ +*+++ peak 3413 Upper QD2 LEU 96 - QG2 ILE 100 3.23 20 0.82 2.44 +++++++++++++*++++++ peak 3465 Upper QD2 LEU 96 - H VAL 119 5.50 6 0.18 1.01 + +* + + + peak 3351 Upper QD2 LEU 96 - QG1 VAL 119 3.29 6 0.13 0.65 + +* + + + peak 3949 Upper QD2 LEU 96 - QB TYR 352 4.18 12 0.46 1.20 *+ + + ++ ++ ++++ peak 8179 Upper QD2 LEU 96 - QD TYR 352 3.35 9 0.29 1.01 + + ++ *+++ + peak 252 Upper QD2 LEU 96 - H ALA 395 4.77 14 2.06 5.28 ++++++ ++ ++ +++* peak 1112 Upper HA PRO 97 - HG2 GLN 101 5.29 12 0.29 1.41 +++ ++ +++++* + peak 3518 Upper HB3 PRO 97 - QE TYR 352 3.38 20 1.09 1.59 ++++++*+++++++++++++ peak 232 Upper HG2 PRO 97 - HG12 ILE 100 4.51 11 0.17 0.43 +++ + ++++ * + + peak 3386 Upper HG2 PRO 97 - QD TYR 352 3.32 10 0.18 0.91 + +*+ ++ + + ++ peak 243 Upper HD2 PRO 97 - H TYR 352 5.06 9 0.37 1.34 ++ +* ++ ++ + peak 789 Upper HA PRO 98 - HG2 GLN 101 4.47 8 0.14 0.57 + + + ++*+ + peak 4095 Upper H ILE 100 - HB2 GLN 101 4.33 6 0.10 0.47 ++ + + + * peak 3532 Upper H ILE 100 - HG3 GLN 101 5.50 13 0.46 1.01 +++ + +++ + +++* + peak 4102 Upper HB ILE 100 - HD3 PRO 358 4.62 20 1.86 3.09 +++++++++++++*++++++ peak 3483 Upper QG2 ILE 100 - H LEU 122 4.99 6 0.08 0.44 ++ + *++ peak 1675 Upper HG12 ILE 100 - HA VAL 119 4.61 9 0.17 0.76 ++ + *+ + + + + peak 3945 Upper QD1 ILE 100 - HG2 PRO 358 3.84 13 0.76 1.85 ++ + ++++++++ *+ peak 8117 Upper QD1 ILE 100 - HG3 PRO 358 3.84 7 0.27 1.93 * + ++++ + peak 8116 Upper H GLN 101 - HG2 GLN 101 4.29 12 0.20 0.37 ++ + ++ +++*++ + peak 4109 Upper H GLN 101 - HG3 GLN 101 4.07 11 0.17 0.54 +++ + + + +++* + peak 4105 Upper H GLN 101 - HE21 GLN 101 5.50 12 0.42 1.16 +++ +++++ * +++ peak 481 H ALA 116 - HE21 GLN 401 Upper H GLN 101 - HE22 GLN 101 5.50 7 0.14 0.80 + +* ++ + + peak 482 H ALA 116 - HE22 GLN 401 Upper HA GLN 101 - H ARG 103 4.28 8 0.22 0.88 ++ *+ + ++ + peak 244 Upper HA GLN 101 - HE22 GLN 359 5.39 12 0.87 1.83 ++ * ++ +++++ ++ peak 3521 H LEU 396 - HA GLN 401 Upper HB3 GLN 101 - HE21 GLN 101 4.50 7 0.09 0.48 + + + +* + + peak 1197 Upper HG2 GLN 101 - HE21 GLN 101 3.66 10 0.16 0.44 ++* + +++ +++ peak 1194 Upper HG3 GLN 101 - HE22 GLN 359 5.50 6 0.08 0.41 + + *++ + peak 4101 H LEU 396 - HG3 GLN 401 Upper HE21 GLN 101 - QB ALA 415 4.96 20 1.65 3.00 ++++++++++++++++*+++ peak 1199 Upper HE22 GLN 101 - QB ALA 415 5.45 19 1.44 2.49 +++++ *+++++++++++++ peak 1207 Upper HA ALA 102 - HE21 GLN 105 5.18 14 0.93 2.16 ++++ * ++ +++++ ++ peak 1591 Upper HA ALA 102 - HE22 GLN 105 5.50 9 0.26 1.19 + + +++ *+ + + peak 497 Upper HA ALA 102 - H GLY 106 5.10 6 0.08 0.35 + ++ + * + peak 522 Upper H ARG 103 - QD ARG 103 3.41 11 0.24 0.88 ++ + +++ ++* ++ peak 240 Upper H ARG 103 - HB VAL 104 5.50 9 0.16 0.74 ++ ++ +++* + peak 3442 Upper HA VAL 104 - H GLN 107 4.41 9 0.13 0.61 +* +++++ + + peak 528 Upper HA VAL 104 - QG GLN 107 5.20 6 0.11 0.55 + + ++ + * peak 3588 Upper HA VAL 104 - QD1 LEU 118 3.70 9 0.30 0.89 ++ ++ +* + + + peak 3941 Upper QG GLN 105 - HA GLU 414 3.96 7 0.08 0.28 + + + *+ ++ peak 504 HA GLU 114 - HG2 GLU 114 Upper HE21 GLN 105 - QD2 LEU 418 4.38 18 2.66 5.47 +++++ ++ +++++++*+++ peak 1224 Upper QB GLN 107 - QD2 LEU 118 3.75 6 0.16 0.93 + *+ + + + peak 3933 Upper QG GLN 107 - QD2 LEU 118 4.18 8 0.14 0.55 + +* ++++ + peak 3934 Upper HA PRO 109 - H SER 111 4.59 18 0.44 1.14 ++++*+++++ ++++++ ++ peak 553 Upper HA PRO 109 - HG2 GLU 114 4.66 7 0.28 1.91 ++ + + +* + peak 3867 Upper HA PRO 109 - HG3 GLU 114 5.50 10 0.34 1.56 + ++ + *++ + ++ peak 3862 Upper HB2 PRO 109 - H ALA 115 4.36 12 0.38 1.40 *++ ++ + + ++ + ++ peak 3704 Upper HB3 PRO 109 - HB2 SER 111 5.50 9 0.30 1.08 + ++ ++ +* ++ peak 3740 Upper HB3 PRO 109 - HB3 SER 111 4.81 6 0.12 0.95 + + *+ + + peak 3739 Upper HB3 PRO 109 - H ALA 115 3.92 16 0.57 1.20 ++++++ + + +++ *++++ peak 1283 Upper HB3 PRO 109 - QB ALA 115 4.51 14 0.70 1.93 *++ ++++ +++ ++ ++ peak 3686 Upper HB3 PRO 109 - QD1 LEU 118 3.64 12 0.20 0.81 ++ ++ ++ + +* +++ peak 3685 Upper HG2 PRO 109 - H ALA 115 3.14 7 0.11 0.72 ++ + + + + * peak 1282 QB GLU 114 - H ALA 115 Upper HG3 PRO 109 - H SER 111 4.78 6 0.08 0.52 + * + + + + peak 1262 Upper HG3 PRO 109 - QB ALA 115 4.08 8 0.21 1.20 * ++ + + + ++ peak 1682 Upper HD2 PRO 109 - QB ALA 115 5.26 15 0.49 1.44 *+++++++ +++ ++ ++ peak 1686 Upper HD3 PRO 109 - QB ALA 115 5.50 12 0.31 1.33 + + ++ + + +++ * ++ peak 3671 Upper HD3 PRO 109 - QD1 LEU 118 3.74 6 0.27 1.40 *++ +++ peak 3670 Upper H GLY 110 - H ALA 115 5.48 6 0.10 0.63 + + + *+ + peak 540 Upper H GLY 110 - HG3 GLU 413 4.58 19 3.85 7.05 ++++++*++++ ++++++++ peak 1253 Upper H GLY 110 - HG3 GLU 413 4.15 6 0.13 0.71 + + + *++ peak 3820 H GLU 113 - HG3 GLU 113 Upper H SER 111 - H GLU 114 4.41 6 0.17 1.21 + + ++* + peak 563 Upper H SER 111 - H ALA 115 4.70 12 0.34 1.22 ++ + + ++++*+ ++ peak 542 Upper H SER 111 - QB ALA 115 5.02 15 0.55 1.55 + +++*++ ++++++ ++ peak 1263 Upper H SER 111 - QD1 LEU 393 4.62 19 1.19 2.71 ++++++++++++++++* ++ peak 1265 Upper HA SER 111 - HG2 PRO 112 4.86 6 0.09 0.98 + ++ *+ + peak 3767 Upper HA SER 111 - H GLU 114 5.14 6 0.16 1.15 + +*+++ peak 572 Upper HA PRO 112 - H ALA 115 4.87 10 0.31 1.08 ++ +*++++ + + peak 3804 Upper HA PRO 112 - HG LEU 362 4.45 11 0.33 1.26 ++++ + ++ *+ + + peak 3742 HA PRO 412 - QB ALA 415 Upper HA PRO 112 - H LEU 389 5.33 9 0.24 1.00 + + ++ + *++ + peak 3805 HA PRO 412 - H ALA 416 Upper HA PRO 112 - QD1 LEU 393 3.79 13 0.55 2.83 ++ ++++++ + ++*+ peak 3279 Upper HB2 PRO 112 - QD1 LEU 362 4.17 7 0.17 0.93 + + + * +++ peak 8265 Upper HB3 PRO 112 - QD1 LEU 362 4.32 11 0.73 2.08 + ++ + + *++ +++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.14 6 0.22 1.59 + ++ + * + peak 8266 Upper HG2 PRO 112 - QG2 VAL 388 3.71 11 0.72 2.78 ++ + +++ +* +++ peak 8232 Upper HG3 PRO 112 - QD2 LEU 362 4.00 16 0.52 1.65 *+ +++++++ +++++++ peak 8268 Upper HG3 PRO 112 - QG2 VAL 388 4.28 9 0.55 1.98 + +++ ++ *++ peak 3778 Upper HG3 PRO 112 - QD2 LEU 389 3.34 16 1.04 2.69 * +++++++ ++ ++++++ peak 3776 Upper HD2 PRO 112 - HB2 GLU 113 5.03 9 0.30 1.14 +* +++ ++ + + peak 3771 Upper H GLU 113 - H ALA 116 5.50 8 0.18 0.79 ++ + + + *+ + peak 634 Upper HA GLU 113 - H ALA 117 4.25 13 0.91 2.73 ++ + +* ++++++++ peak 575 Upper HA GLU 113 - QD2 LEU 362 4.17 9 0.17 0.95 ++ * ++ + + ++ peak 8156 Upper HB2 GLU 113 - H GLU 114 3.90 7 0.13 0.51 ++ + * + ++ peak 3828 Upper HG2 GLU 113 - QB ALA 363 4.83 20 3.45 5.16 ++++++*+++++++++++++ peak 3841 Upper HG2 GLU 113 - QB ALA 415 5.06 8 1.73 5.62 +* ++ ++ + + peak 3840 Upper HG3 GLU 113 - QD2 LEU 362 4.95 9 0.37 1.88 ++ +++++ + * peak 3834 Upper HG3 GLU 113 - H GLY 410 4.58 20 3.09 6.20 +++++++*++++++++++++ peak 1253 Upper H GLU 114 - H ALA 115 2.92 9 0.25 1.04 ++ *+++ + + + peak 534 Upper H GLU 114 - QD2 LEU 118 5.50 11 0.27 0.97 +++ + +* ++ ++ + peak 1278 Upper HA GLU 114 - HG3 GLU 114 3.48 8 0.14 0.53 + + + + *+ + + peak 1446 Upper HA GLU 114 - QD1 LEU 393 4.15 20 1.72 3.90 +++++++++++++++++*++ peak 3287 Upper HA GLU 114 - QD2 LEU 393 4.50 20 2.59 4.70 ++++++++*+++++++++++ peak 3288 Upper HG2 GLU 114 - QD1 LEU 393 3.81 20 1.70 2.95 ++++++++++*+++++++++ peak 3273 Upper HG3 GLU 114 - QD1 LEU 393 3.96 15 0.87 2.89 +++++++++ *+ + +++ peak 3876 Upper H ALA 115 - QD1 LEU 362 4.38 20 1.94 3.26 ++++++++++++*+++++++ peak 8310 Upper H ALA 115 - QD2 LEU 393 4.70 9 0.75 2.02 ++ +++++ + * peak 3293 Upper HA ALA 115 - QD1 LEU 118 3.33 10 0.14 0.69 ++ ++ + + * +++ peak 3942 Upper QB ALA 115 - H ALA 117 3.72 19 0.53 1.37 +++++*+++++++++++++ peak 1295 Upper QB ALA 115 - QD2 LEU 362 4.41 16 1.07 2.01 ++ +++++++++++ ++* peak 1678 Upper QB ALA 115 - HB2 LEU 393 3.49 6 0.10 0.52 ++ * ++ + peak 1683 HB3 PRO 409 - QB ALA 415 QB ALA 415 - HG LEU 418 Upper QB ALA 115 - HG LEU 393 3.50 7 0.25 1.61 *+ + ++ + + peak 1684 HB2 PRO 409 - QB ALA 415 Upper QB ALA 115 - HE21 GLN 401 4.96 20 1.52 3.01 +*++++++++++++++++++ peak 1199 Upper QB ALA 115 - HE22 GLN 401 5.45 20 1.52 2.68 ++++++++*+++++++++++ peak 1207 Upper QB ALA 115 - HG2 GLU 413 5.06 13 3.11 5.94 ++ + ++++++++ +* peak 3840 Upper H ALA 116 - QD2 LEU 362 4.76 13 1.00 2.00 ++ ++ ++ +++++ *+ peak 977 Upper HA ALA 116 - H ASP 120 4.05 17 0.63 1.69 ++++++ ++*++++++ ++ peak 624 Upper HA ALA 116 - HB2 PRO 358 4.33 8 0.41 1.52 ++ ++ *+ + + peak 8259 Upper HA ALA 116 - HB3 PRO 358 3.72 10 0.18 0.70 + + ++*+ + + + + peak 8252 Upper QB ALA 116 - HB2 PRO 358 4.46 8 0.33 1.81 ++ ++ *+ + + peak 8262 Upper QB ALA 116 - HB3 PRO 358 3.94 11 0.29 0.88 + ++ +* + +++ ++ peak 8257 Upper QB ALA 116 - QB GLN 359 3.13 12 0.54 1.72 ++ * ++ +++++ ++ peak 8137 Upper QB ALA 116 - H LEU 362 4.82 6 0.11 0.75 ++ + +* + peak 1661 QB ALA 116 - H LEU 393 Upper H ALA 117 - HB2 LEU 118 4.06 20 0.81 1.38 +++++*++++++++++++++ peak 1292 Upper H ALA 117 - HG LEU 118 4.81 6 0.30 1.72 * + + + + + peak 1293 Upper HA ALA 117 - HB2 ASP 120 4.02 11 0.33 1.08 ++ + ++ *+ ++ ++ peak 3900 Upper HA ALA 117 - HB3 ASP 120 4.47 11 0.38 1.02 ++ + ++ * +++ ++ peak 1485 Upper QB ALA 117 - HB2 ASP 120 4.95 11 0.37 1.20 ++ + ++ ++ ++ *+ peak 1490 Upper QB ALA 117 - H GLY 121 5.35 8 0.21 1.42 + + + *++ + + peak 1320 Upper HA LEU 118 - QD2 LEU 118 2.93 10 0.40 1.08 ++ +++++ + *+ peak 887 Upper HB3 LEU 118 - H VAL 119 4.16 7 0.08 0.32 ++ *+ + + + peak 1311 Upper QD2 LEU 118 - HE21 GLN 405 4.38 17 2.06 4.94 ++ +++++++*+ ++++++ peak 1224 Upper H VAL 119 - HE22 GLN 359 4.66 12 0.92 2.30 ++ * ++ +++++ ++ peak 627 Upper HA VAL 119 - H LEU 122 4.43 7 0.09 0.52 + + +* + + + peak 616 Upper HA VAL 119 - HB2 LEU 122 5.00 7 0.12 0.64 ++ + +* + + peak 1882 Upper HA VAL 119 - HG LEU 122 5.17 9 0.37 1.46 + ++ +*++ ++ peak 4002 Upper HA VAL 119 - QD1 LEU 122 4.03 6 0.24 1.12 *+ +++ + peak 4006 Upper HB VAL 119 - HE22 GLN 359 4.66 12 0.67 1.74 + *+ + + +++++ ++ peak 3966 Upper QG1 VAL 119 - H LEU 122 5.50 11 0.26 0.71 ++ + +* +++++ + peak 1328 Upper QG2 VAL 119 - QE TYR 352 3.65 9 0.21 0.96 ++++ * + ++ + peak 8189 Upper QG2 VAL 119 - HB2 PRO 358 4.11 12 0.28 0.98 + + + +++++* + ++ peak 2131 Upper QG2 VAL 119 - HD3 PRO 358 3.84 9 0.25 1.04 ++ ++ +*++ + peak 1758 Upper QG2 VAL 119 - H GLN 359 5.05 7 0.23 1.00 ++ +* + ++ peak 841 Upper QG2 VAL 119 - HE22 GLN 359 3.97 7 0.35 1.36 +* ++ + ++ peak 3976 Upper H GLY 121 - HG LEU 122 5.37 8 0.15 0.74 +* ++ + + + + peak 1318 Upper H LEU 122 - HG LEU 122 3.06 9 0.16 0.88 +* + ++ +++ + peak 1324 Upper QD ARG 123 - QE TYR 352 5.27 7 0.12 0.70 *+ + ++ ++ peak 4040 Upper HB2 ASP 337 - HD3 PRO 340 5.50 6 0.09 0.59 + +++ *+ peak 1550 Upper HA PRO 340 - QB ALA 343 3.42 20 0.58 0.94 ++++*+++++++++++++++ peak 1631 Upper QB PRO 340 - HD1 TRP 372 4.90 6 0.10 0.43 ++ * + + + peak 1567 Upper H GLU 341 - HB2 GLU 341 3.00 7 0.13 0.59 + + + + + +* peak 736 Upper H GLU 341 - HG3 GLU 341 3.76 6 0.07 0.30 ++ * +++ peak 735 Upper HA GLU 341 - HE ARG 344 5.17 7 0.35 1.97 + + ++* ++ peak 650 Upper HA GLU 341 - H LEU 345 4.72 12 0.37 0.85 ++ *+ ++++++ + + peak 130 Upper HB3 GLU 341 - H ALA 342 4.07 16 0.14 0.27 +++++++++++ + + ++* peak 701 Upper HB3 GLU 341 - HE1 TRP 372 4.94 18 1.08 2.06 +*+++++++++++ +++++ peak 264 Upper H ALA 342 - QD1 LEU 345 4.63 8 0.10 0.35 + * ++ +++ + peak 1951 Upper H ALA 343 - QD ARG 346 5.39 7 0.13 0.81 + + + + + * + peak 694 Upper HA ALA 343 - HD1 TRP 372 4.70 20 1.20 2.43 ++++++++++++++*+++++ peak 53 Upper QB ALA 343 - H ARG 346 5.33 8 0.14 0.62 + + + + + *+ + peak 1653 Upper QB ALA 343 - HG LEU 368 3.84 11 0.39 1.84 ++ +++ +++*+ + peak 1528 Upper QB ALA 343 - HB2 TRP 372 4.72 16 0.47 0.88 +++++ ++++++ +++ *+ peak 2635 Upper QB ALA 343 - HB3 TRP 372 3.54 17 0.46 1.77 ++++++ +++++ *+++++ peak 1629 Upper QB ALA 343 - HD1 TRP 372 3.17 6 0.17 0.72 + + + * ++ peak 223 Upper QB ALA 343 - HE3 TRP 372 4.53 20 2.01 3.52 ++++++++++++++*+++++ peak 125 Upper H ARG 344 - H ARG 346 4.97 9 0.12 0.40 + + + + * ++ + + peak 127 Upper H ARG 344 - HB3 TRP 372 5.50 16 0.77 1.72 ++*++ +++++++++++ peak 2643 Upper H ARG 344 - HD1 TRP 372 4.13 12 0.27 0.78 + +++ ++ *++++ + peak 54 Upper HA ARG 344 - QE PHE 347 5.50 6 0.18 1.98 + ++ +* + peak 1843 Upper HA ARG 344 - HZ PHE 347 5.50 9 0.21 1.08 + ++ +++*+ + peak 1842 HA ARG 344 - HD1 TRP 372 Upper HB2 ARG 344 - HE1 TRP 372 5.50 6 0.10 0.56 ++ + + + * peak 256 Upper HB3 ARG 344 - HD1 TRP 372 5.18 6 0.18 1.11 + ++ +* + peak 226 Upper HB3 ARG 344 - HZ2 TRP 372 4.73 7 0.09 0.43 + + ++++* peak 195 HZ2 TRP 372 - HB3 LEU 373 HZ2 TRP 372 - QD1 LEU 373 Upper HD2 ARG 344 - QE PHE 347 5.50 6 0.15 0.80 *+ ++ + + peak 1838 HD2 ARG 344 - HZ2 TRP 372 Upper HD3 ARG 344 - QE PHE 347 4.04 14 0.77 2.02 *++ ++ +++++++ + + peak 312 Upper HD3 ARG 344 - HD1 TRP 372 5.50 16 0.52 1.14 ++++++++* ++ +++ + + peak 1832 Upper HE ARG 344 - HD1 TRP 372 4.98 13 0.51 2.26 +++ ++ + + +++ ++* peak 648 Upper H LEU 345 - HG LEU 345 4.18 6 0.08 0.39 + + * + + + peak 1949 Upper H LEU 345 - QB ARG 346 4.85 17 0.37 0.66 ++ +++++ ++++++*+ ++ peak 684 Upper HA LEU 345 - QD PHE 347 4.24 15 0.58 2.19 ++++++ ++ ++*+++ + peak 103 Upper H ARG 346 - QD2 LEU 368 4.30 10 0.30 1.36 ++ + + ++ *+++ peak 668 Upper HA ARG 346 - HB2 CYS 349 5.50 12 0.27 0.86 ++ * ++ +++++ ++ peak 2002 Upper HA ARG 346 - HB3 CYS 349 5.19 8 0.14 0.62 * + ++ +++ + peak 2003 Upper QB ARG 346 - HB3 PHE 347 4.98 8 0.15 0.68 +* + + + + ++ peak 3236 Upper QD ARG 346 - QD2 LEU 368 3.41 12 0.27 1.13 ++++ +++*++ ++ peak 2483 Upper QD PHE 347 - QD2 LEU 365 4.37 11 0.29 1.09 +++ ++ *+++++ peak 2404 Upper QD PHE 347 - HB2 LEU 368 4.67 7 0.32 1.63 ++ + * ++ + peak 301 Upper QD PHE 347 - HB3 LEU 368 4.69 9 0.48 1.70 ++ ++ *+ ++ + peak 2523 Upper QD PHE 347 - HB2 CYS 369 4.95 12 0.67 2.35 + +++++ ++ *+++ peak 2547 Upper QD PHE 347 - HB3 CYS 369 5.50 16 0.82 2.11 ++++ ++++++ +*++++ peak 2542 Upper QE PHE 347 - HB3 LEU 365 3.97 6 0.26 2.07 ++ +* + + peak 315 Upper QE PHE 347 - HB2 LEU 368 5.15 7 0.11 0.48 ++ * + + + + peak 2520 HB2 LEU 68 - QE PHE 347 H GLU 367 - HB2 LEU 368 Upper QE PHE 347 - H CYS 369 5.35 7 0.24 1.63 + ++ ++ + * peak 91 QE PHE 47 - H CYS 369 Upper QE PHE 347 - HA VAL 388 4.82 19 1.04 1.92 +*+++++++++++++++++ peak 3154 Upper QE PHE 347 - QG1 VAL 388 4.50 17 1.38 2.47 ++++ +*+ ++++++++ ++ peak 2762 Upper QE PHE 347 - H PHE 392 5.50 10 0.48 1.63 +* ++ ++ ++ + + peak 425 H PHE 92 - QE PHE 347 Upper HZ PHE 347 - HE ARG 348 5.50 12 0.37 1.62 +++ ++ +++ +* ++ peak 1346 Upper HZ PHE 347 - HA VAL 388 3.71 20 2.85 4.27 +*++++++++++++++++++ peak 3153 Upper HZ PHE 347 - QB GLN 391 3.62 6 0.10 0.54 + * + + ++ peak 288 HZ PHE 47 - QB GLN 391 Upper HZ PHE 347 - HG3 GLN 391 4.24 8 0.48 2.27 +++ * + + + + peak 295 Upper HA ARG 348 - QD ARG 348 4.14 6 0.09 0.41 ++ *+ + + peak 1185 Upper HA ARG 348 - HE21 GLN 391 4.98 18 1.04 3.34 +*++++ +++++++++++ + peak 1996 Upper HA ARG 348 - HE22 GLN 391 5.47 18 1.20 3.03 +*++++ +++++++++++ + peak 1995 Upper QG ARG 348 - HE21 GLN 391 4.31 12 0.41 0.95 ++ + + +*++++ ++ peak 1064 HE21 GLN 391 - QB ALA 395 Upper HA PHE 350 - HB2 HIS 351 5.50 13 0.15 0.24 ++ ++ *+ +++++ ++ peak 2041 Upper HB2 PHE 350 - QD2 LEU 365 3.90 17 0.65 1.61 ++ +++++++++* ++++ + peak 2359 Upper HB2 PHE 350 - QB ALA 395 4.71 11 0.18 0.58 ++ +++++ *++ + peak 1714 QB ALA 95 - HB2 PHE 350 Upper HB3 PHE 350 - QD1 LEU 365 5.50 19 1.08 2.14 ++ +++++++++*+++++++ peak 2010 Upper HB3 PHE 350 - QD2 LEU 365 4.33 9 0.16 0.79 ++ + ++ +* + + peak 2011 Upper HB3 PHE 350 - QD1 LEU 368 5.50 19 1.06 1.82 ++++++* ++++++++++++ peak 2009 Upper QD PHE 350 - HB2 GLN 364 4.61 8 0.22 0.88 ++ + *+ + ++ peak 275 Upper QD PHE 350 - QD2 LEU 365 3.32 10 0.51 1.76 ++ +++++ +* + peak 281 Upper QE PHE 350 - QB TYR 352 4.05 12 0.50 1.48 ++ + +++++ + + +* peak 262 Upper QE PHE 350 - HA GLU 360 4.18 17 0.89 2.28 ++++++++++ ++++*++ peak 8131 Upper QE PHE 350 - HB2 GLU 360 4.75 8 0.11 0.48 * + + ++ +++ peak 265 QE PHE 350 - HB3 GLN 364 Upper QE PHE 350 - HB2 GLN 364 4.58 14 0.50 1.41 + ++ *+++ + ++++++ peak 264 Upper QE PHE 350 - QD2 LEU 365 4.12 8 0.42 1.42 ++ + ++ +* + peak 272 Upper QB TYR 352 - QB ALA 361 5.15 9 0.20 0.60 + ++ *+ + + + + peak 1602 Upper QD TYR 352 - QG GLU 354 4.38 6 0.11 0.65 + + + * + + peak 2191 Upper QD TYR 352 - H THR 356 5.42 9 0.20 0.68 ++ ++ *+ + + + peak 63 Upper QD TYR 352 - QG2 THR 356 4.99 7 0.09 0.56 + + * + + + + peak 248 Upper QD TYR 352 - HB3 PRO 358 3.56 15 0.39 0.94 +* ++++++ ++++ +++ peak 245 Upper QD TYR 352 - QB ALA 395 3.77 11 0.19 0.59 + + ++ ++ +++ *+ peak 246 QD TYR 52 - QB ALA 395 Upper QE TYR 352 - QG GLU 353 5.50 6 0.09 0.42 ++ * ++ + peak 2087 Upper QE TYR 352 - HA PRO 358 3.34 12 0.38 1.19 +++ * + ++++ ++ + peak 46 Upper QE TYR 352 - HB2 PRO 358 3.81 14 0.66 1.35 +++ + +++*++++ ++ peak 230 Upper HB2 GLU 353 - QG2 THR 356 4.69 13 0.32 0.63 ++ * ++++++++ ++ peak 2582 Upper QG GLU 353 - HA GLU 354 5.50 13 0.18 0.39 ++ ++ ++ +++++ +* peak 2085 QG GLU 53 - HD2 PRO 397 Upper QG GLU 353 - H THR 356 4.12 9 0.08 0.22 + + ++* +++ + peak 2091 Upper QG GLU 353 - QG2 THR 356 3.94 9 0.15 0.66 + +* + +++ + + peak 2078 Upper HA GLU 354 - H GLY 357 3.90 15 0.49 1.53 ++++ ++ ++ +++++ *+ peak 821 Upper H ALA 355 - QG2 THR 356 5.50 6 0.05 0.13 + + + ++ * peak 812 Upper HB THR 356 - HB2 GLU 360 4.55 11 0.25 1.09 ++ * ++ ++++ ++ peak 2332 HA ALA 361 - HB3 GLN 364 Upper HB THR 356 - HG3 GLU 360 4.62 13 0.51 1.14 +++ + ++ +++++ +* peak 2105 Upper QG2 THR 356 - H GLU 360 4.51 12 0.42 1.15 ++ + ++ +++++ +* peak 865 Upper H GLY 357 - H GLU 360 5.50 16 1.19 2.51 +++ ++ +++ +++++++* peak 398 Upper H GLY 357 - HG3 GLU 360 5.50 17 0.60 1.50 ++++++ ++++++++++* peak 824 Upper HA PRO 358 - H ALA 361 4.38 13 0.69 1.65 +* ++ ++ +++++ ++ peak 872 Upper HA PRO 358 - QE PHE 392 4.46 7 0.11 0.64 + + + * ++ + peak 110 QE PHE 92 - HA PRO 358 Upper HB2 PRO 358 - QB ALA 416 4.18 20 2.36 3.08 ++++++*+++++++++++++ peak 2132 Upper HD2 PRO 358 - H GLN 359 4.02 7 0.10 0.45 + + +++ +* peak 832 Upper HD3 PRO 358 - H GLU 360 5.50 9 0.22 1.72 + + * + ++ + ++ peak 859 Upper H GLN 359 - HG2 GLN 359 3.43 13 0.21 0.68 +++ +++++*+ + ++ peak 835 Upper H GLN 359 - HB2 LEU 362 5.49 16 0.74 1.54 +++*+ +++ ++++++++ peak 838 Upper H GLN 359 - HB2 LEU 362 5.50 11 0.31 1.33 ++* + + ++++++ peak 2295 HB2 LEU 62 - H ALA 416 Upper H GLN 359 - QD1 LEU 362 5.25 8 0.24 1.14 ++ + + + *+ + peak 842 H GLN 59 - QD1 LEU 362 Upper HA GLN 359 - HB3 LEU 362 4.02 12 0.54 1.64 ++++++ + *+++ + peak 1873 HB3 LEU 62 - HA PRO 412 Upper HA GLN 359 - H ALA 363 5.50 8 0.12 0.46 ++ + + *+ ++ peak 2216 HA GLN 59 - H ALA 363 Upper QB GLN 359 - H LEU 362 4.02 10 0.15 0.57 ++++ *+ + +++ peak 881 H LEU 62 - QB GLN 359 Upper HG2 GLN 359 - H GLU 360 4.31 8 0.18 0.80 ++ + *++ + + peak 2224 Upper HG2 GLN 359 - QD2 LEU 362 4.69 19 0.85 1.51 + +++++++++++++++++* peak 2267 QD2 LEU 62 - QB GLU 390 Upper HG3 GLN 359 - H LEU 362 4.45 20 0.89 1.54 ++*+++++++++++++++++ peak 880 Upper HG3 GLN 359 - QD2 LEU 362 4.08 17 1.04 2.34 +*+ ++++++ ++++++++ peak 8211 Upper HE21 GLN 359 - QD1 LEU 362 4.94 12 0.43 1.74 * +++ + ++ +++ ++ peak 852 HE21 GLN 59 - QD1 LEU 362 Upper HE21 GLN 359 - QD2 LEU 362 5.15 18 1.02 2.44 ++++ ++++++++*+++++ peak 853 Upper HE22 GLN 359 - QD1 LEU 362 5.50 8 0.24 1.04 +++ + + +* + peak 857 HE22 GLN 59 - QD1 LEU 362 Upper HB2 GLU 360 - H ALA 361 4.27 12 0.19 0.37 ++ + ++ *++++ ++ peak 2249 Upper HB3 GLU 360 - H ALA 361 3.58 11 0.21 0.46 ++ + +* + +++ ++ peak 2252 Upper HB3 GLU 360 - HE21 GLN 364 5.07 10 0.26 1.05 + + ++ *++ + ++ peak 916 Upper HB3 GLU 360 - HE22 GLN 364 5.50 13 0.28 0.84 + + ++ ++ * ++++++ peak 925 Upper HG3 GLU 360 - HE21 GLN 364 3.61 6 0.13 1.21 + + + ++* peak 914 Upper HG3 GLU 360 - HE22 GLN 364 3.84 9 0.23 1.71 ++ ++ ++* + + peak 923 Upper HA ALA 361 - HB2 GLN 364 4.19 9 0.35 1.80 ++ * + ++++ + peak 2330 Upper HA ALA 361 - HG3 GLN 364 3.84 8 0.17 0.94 + * + + ++++ peak 2349 Upper HA ALA 361 - H LEU 365 4.64 7 0.25 1.15 + + ++ + + * peak 207 Upper QB ALA 361 - QD2 LEU 362 3.62 10 0.30 1.33 ++ ++ +* ++ + + peak 8209 QD2 LEU 62 - QB ALA 361 Upper QB ALA 361 - HB2 LEU 365 4.91 11 0.41 1.91 ++ ++++ ++* + + peak 8142 Upper H LEU 362 - HG LEU 362 3.15 13 0.83 1.51 *+++ ++++ ++ +++ peak 884 Upper H LEU 362 - HB3 LEU 365 5.50 6 0.07 0.39 * ++ + + + peak 2390 H GLN 364 - HB3 LEU 365 Upper H LEU 362 - QG1 VAL 388 4.76 13 0.84 2.64 ++ ++++* ++ ++ + + peak 886 Upper HA LEU 362 - QG1 VAL 388 3.25 11 0.51 2.05 ++ ++++* + + + + peak 8202 Upper HG LEU 362 - H ALA 363 5.21 6 0.08 0.32 * + + + + + peak 2299 Upper QD1 LEU 362 - H ALA 363 4.97 11 0.18 0.40 ++ + ++ ++++ +* peak 8311 QD1 LEU 62 - H ALA 363 Upper QD1 LEU 362 - HG3 GLU 413 4.54 15 0.95 2.05 + +++ + +++++*++ ++ peak 3835 Upper QD1 LEU 362 - HA ALA 416 4.63 12 0.35 1.60 ++++ + ++ *+ +++ peak 3885 HA ALA 115 - QD1 LEU 362 HA ALA 116 - QD1 LEU 362 Upper QD1 LEU 362 - QB ALA 416 3.57 7 0.48 2.15 ++ ++ *+ + peak 8301 QD1 LEU 62 - QB ALA 416 Upper QD1 LEU 362 - H ALA 417 5.09 9 0.30 1.23 + ++ + + *+ + + peak 1299 H ALA 117 - QD1 LEU 362 Upper QD2 LEU 362 - HA PRO 412 3.55 9 0.41 1.88 + +* ++ ++ ++ peak 2289 QD2 LEU 62 - HA PRO 412 Upper QD2 LEU 362 - HG3 PRO 412 4.18 7 0.15 0.99 ++*++ + + peak 3747 HG3 PRO 112 - QD2 LEU 362 Upper HA ALA 363 - QG ARG 366 5.04 7 0.25 1.24 ++ + *++ + peak 2418 HA GLN 364 - QG ARG 366 Upper HA ALA 363 - HD2 ARG 366 5.50 7 0.30 1.54 * + +++++ peak 2422 Upper HA ALA 363 - HD3 ARG 366 5.50 7 0.24 1.74 + *+ + ++ + peak 2421 Upper QB ALA 363 - HE22 GLN 364 4.82 12 0.38 1.50 + + * ++ + ++++++ peak 926 Upper H GLN 364 - HB2 GLN 364 3.19 6 0.08 0.37 + * +++ + peak 909 Upper HA GLN 364 - HE22 GLN 364 5.50 11 0.36 0.91 + + + ++ + +*+ ++ peak 394 Upper HA GLN 364 - HG2 GLU 367 4.90 10 0.41 1.33 ++ ++ ++ + + *+ peak 2454 Upper H LEU 365 - HG2 GLU 367 5.50 9 0.23 1.08 + + +++ + * ++ peak 2478 Upper HA LEU 365 - QD1 LEU 368 3.77 16 0.76 2.11 ++++ +++++ ++ ++++* peak 2485 Upper HB2 LEU 365 - QG1 VAL 388 4.75 6 0.17 1.22 + + + * + + peak 2365 Upper HB2 LEU 365 - QG1 VAL 388 3.20 11 0.25 0.75 * ++ +++ ++ +++ peak 3146 QB GLU 376 - QG1 VAL 377 Upper HB3 LEU 365 - QG1 VAL 388 4.22 7 0.29 1.47 * ++ + +++ peak 2364 Upper QD1 LEU 365 - H GLU 367 5.50 6 0.15 1.02 + ++ + *+ peak 957 H GLU 67 - QD1 LEU 365 Upper QD1 LEU 365 - H LEU 389 3.70 16 0.84 2.37 ++++++++++++ ++ +* peak 1132 Upper QD1 LEU 365 - HA PHE 392 3.44 8 0.35 1.49 + +* ++ ++ + peak 3230 HA PHE 92 - QD1 LEU 365 Upper QD1 LEU 365 - QD PHE 392 3.57 6 0.10 0.63 ++ ++* + peak 2395 QD1 LEU 65 - QD PHE 392 Upper QD2 LEU 365 - HA VAL 388 4.87 16 0.72 1.92 ++++*+ +++ +++++++ peak 3140 Upper QD2 LEU 365 - QB ALA 395 4.55 8 0.40 1.43 ++ ++ ++ * + peak 8169 QB ALA 95 - QD2 LEU 365 Upper H ARG 366 - QG2 VAL 388 4.34 15 0.89 3.02 +++ ++ +++ ++++++* peak 944 Upper HA ARG 366 - QG1 VAL 388 4.08 19 1.19 2.44 ++++++++ +*+++++++++ peak 2430 Upper HA ARG 366 - QG2 VAL 388 3.02 20 2.18 3.83 ++++++*+++++++++++++ peak 8234 Upper QB ARG 366 - HA VAL 388 4.67 8 0.43 1.90 ++ ++ * + ++ peak 3139 HA VAL 88 - QB ARG 366 Upper QB ARG 366 - QG2 VAL 388 3.58 10 0.28 1.20 + * ++ + +++ ++ peak 3145 QG2 VAL 88 - QB ARG 366 Upper QB ARG 366 - QG2 VAL 388 3.76 9 0.25 1.93 + ++++* + + + peak 2425 QB ARG 66 - QG2 VAL 388 Upper QG ARG 366 - H GLU 367 4.11 10 0.20 0.79 +++ + + *+ + + + peak 953 Upper QG ARG 366 - QG1 VAL 388 3.72 14 0.67 2.12 + + ++++++ + +++*+ peak 8198 Upper HD2 ARG 366 - QG2 VAL 388 4.03 8 0.42 2.49 ++ + ++ + +* peak 3150 QG2 VAL 88 - HD2 ARG 366 Upper H GLU 367 - HD2 ARG 370 4.74 14 0.49 3.01 + ++ ++ +++ +*++ ++ peak 2601 Upper H GLU 367 - HD3 ARG 370 5.08 15 0.76 2.31 ++ ++++++ ++*++ ++ peak 2602 Upper HA GLU 367 - HG3 ARG 370 4.93 16 1.18 2.22 +++++*++ +++++ ++ + peak 2596 Upper HA GLU 367 - HD2 ARG 370 4.31 7 0.30 1.77 + ++ +++ * peak 2593 Upper HA GLU 367 - HD3 ARG 370 4.60 15 0.51 1.47 ++ ++ + +++*+++++ + peak 2591 Upper HG3 GLU 367 - HE21 GLN 371 5.07 13 0.54 2.52 ++ ++ ++ ++*++++ peak 2469 Upper HG3 GLU 367 - HE22 GLN 371 5.50 13 0.60 2.91 ++ +++ + + *+++++ peak 2467 Upper QD2 LEU 368 - HE21 GLN 371 5.03 6 0.15 1.60 ++ + *+ + peak 282 Upper HA CYS 369 - HB2 TRP 372 5.50 18 0.66 1.75 +++*++ +++++ +++++++ peak 2638 Upper HA CYS 369 - HB3 TRP 372 5.46 11 0.38 1.24 ++ *+ ++ + + + ++ peak 2637 Upper HA CYS 369 - HD1 TRP 372 4.76 6 0.10 0.50 + + + ++ * peak 2537 Upper HA CYS 369 - HE3 TRP 372 3.94 17 1.32 2.83 +++*+ ++++++++ ++ ++ peak 123 Upper HA CYS 369 - HZ3 TRP 372 5.32 8 0.35 1.56 +* + + + ++ + peak 213 Upper HA CYS 369 - HB3 LEU 373 5.50 12 0.52 2.11 ++ + + ++ ++ +* ++ peak 2554 Upper HA CYS 369 - HB3 LEU 373 5.50 8 0.22 0.89 + + ++ * ++ + peak 2556 HA CYS 369 - QD1 LEU 387 Upper HB2 CYS 369 - HH2 TRP 372 4.23 7 0.26 1.43 ++ + + * + + peak 200 Upper H ARG 370 - HE3 TRP 372 4.88 14 0.88 2.10 +++*+ + ++++ ++ ++ peak 136 Upper H ARG 370 - HZ2 TRP 372 4.29 10 0.27 1.01 +++*+ + + ++ + peak 195 H ARG 370 - HH2 TRP 372 Upper H ARG 370 - QB LEU 384 4.47 15 1.30 2.95 +++ ++ *++ ++++ +++ peak 8249 Upper H ARG 370 - QD1 LEU 384 4.03 18 1.37 2.92 ++++++++*++ +++++++ peak 990 Upper HA ARG 370 - HD2 ARG 370 3.72 14 0.42 1.33 +++ ++ ++++++++ * peak 214 Upper HA ARG 370 - HD3 ARG 370 3.81 12 0.36 1.13 ++ + + ++++* + ++ peak 1188 Upper HA ARG 370 - HD3 PRO 375 4.89 13 0.63 2.07 +* ++++++ +++++ peak 2688 Upper HA ARG 370 - QD1 LEU 384 3.24 14 0.96 2.49 ++ ++++++ +++ *++ peak 2996 Upper QB ARG 370 - H ARG 374 4.01 8 0.24 1.25 * +++ ++++ peak 995 H ARG 374 - QG PRO 375 Upper HG2 ARG 370 - H ARG 374 5.50 8 0.51 2.19 * +++ ++ ++ peak 2608 Upper HD2 ARG 370 - H GLN 371 4.49 6 0.21 1.19 + + +* ++ peak 274 Upper HD2 ARG 370 - HA GLN 371 5.45 11 0.28 1.19 + +++ ++*+ +++ peak 2592 HD2 ARG 370 - HD2 PRO 375 Upper HD2 ARG 370 - H ARG 374 5.50 17 1.41 3.76 + ++ * +++++++++++++ peak 2606 Upper HD3 ARG 370 - H GLN 371 4.48 8 0.40 1.87 + ++ + +*+ + peak 273 Upper HD3 ARG 370 - HA GLN 371 4.92 11 0.55 1.98 ++ ++ + +++* + + peak 2590 HD3 ARG 370 - HD2 PRO 375 Upper HD3 ARG 370 - H ARG 374 5.50 17 1.11 2.76 + + *++++++++++++++ peak 2605 Upper H GLN 371 - HG2 GLN 371 3.38 8 0.27 1.08 * ++ ++ ++ + peak 271 Upper H GLN 371 - HG3 GLN 371 4.05 10 0.19 0.51 ++ ++ *+ + + ++ peak 272 Upper H TRP 372 - HG LEU 373 5.50 9 0.28 1.48 + + +++ *+ + + peak 1935 Upper H TRP 372 - H ARG 374 4.43 9 0.31 1.57 + * + +++ + + + peak 291 Upper HB2 TRP 372 - HB3 LEU 373 5.50 9 0.27 0.88 ++ +* + + + + + peak 2636 Upper HB3 TRP 372 - HE3 TRP 372 4.10 10 0.06 0.12 *++++ + + ++ + peak 124 Upper HB3 TRP 372 - HB3 LEU 373 5.50 19 0.67 1.51 ++*+++++++++++ +++++ peak 2634 Upper HE1 TRP 372 - HB3 LEU 373 5.50 17 0.88 1.88 +++ +++++++++ ++++* peak 255 Upper HE1 TRP 372 - QD2 LEU 373 5.50 14 0.49 1.42 + + ++++++++ ++*+ peak 1791 Upper HE1 TRP 372 - HA LEU 387 5.31 20 2.27 3.66 ++++++++++++*+++++++ peak 250 Upper HZ2 TRP 372 - HB3 LEU 373 4.65 14 0.77 1.98 +* ++ +++ ++ +++++ peak 191 Upper HZ2 TRP 372 - QD2 LEU 373 4.74 6 0.10 0.81 + + + + *+ peak 198 Upper HZ2 TRP 372 - QD2 LEU 386 4.06 20 2.16 3.36 +++++++*++++++++++++ peak 3078 Upper HZ2 TRP 372 - HA LEU 387 4.43 15 0.89 2.05 ++ +++ *++++++ + ++ peak 121 Upper HZ2 TRP 372 - HG LEU 387 3.93 17 1.08 2.92 ++++++ +++++++ ++*+ peak 190 Upper HZ2 TRP 372 - QD2 LEU 387 3.85 9 0.38 1.54 ++ ++ + + * + + peak 192 Upper HH2 TRP 372 - HA LEU 387 3.94 17 0.87 2.14 ++++++ ++++++ +++*+ peak 120 Upper H LEU 373 - QD1 LEU 373 3.64 17 0.50 1.02 ++++* ++ +++++++++ + peak 1928 Upper H LEU 373 - HD2 PRO 375 4.79 15 1.12 2.21 + ++ *+ +++ +++++++ peak 2707 Upper H LEU 373 - HD3 PRO 375 5.05 15 0.89 2.08 + ++ ++++++ +*++++ peak 2703 Upper HB2 LEU 373 - HG3 MET 383 5.50 7 0.17 0.96 +++ + + + * peak 1903 HB3 LEU 373 - HG3 MET 383 Upper HB3 LEU 373 - HD3 PRO 375 5.50 12 0.37 1.69 ++++ +++++ + * + peak 2681 Upper HB3 LEU 373 - HG3 MET 383 5.50 16 0.63 1.81 +++ ++ ++ ++++++ *++ peak 1898 Upper HB3 LEU 373 - QE MET 383 4.70 8 0.25 1.31 + + +* + + + + peak 1897 HB3 LEU 373 - QB LEU 384 Upper QD1 LEU 373 - H MET 383 5.50 15 0.63 1.94 +++++*+++ ++ ++++ peak 1073 Upper QD1 LEU 373 - HA MET 383 5.50 14 0.51 1.62 +++++++ + +++ + * + peak 2972 Upper QD1 LEU 373 - HB3 MET 383 5.27 6 0.23 1.31 +++ *+ + peak 2963 Upper QD1 LEU 373 - QE MET 383 3.11 11 0.40 1.75 +*+ ++++ ++ ++ peak 1635 Upper QD1 LEU 373 - HA LEU 384 4.13 10 0.28 1.11 + ++ + +* +++ + peak 8279 Upper QD1 LEU 373 - H LEU 386 5.50 20 1.20 2.04 ++++++++*+++++++++++ peak 1100 Upper QD1 LEU 373 - H LEU 387 5.50 18 0.85 2.05 ++++ +++++++++++++ * peak 1927 Upper QD1 LEU 373 - HB2 LEU 387 5.50 9 0.33 1.07 ++* + +++ + + peak 3130 Upper QD1 LEU 373 - QD1 LEU 387 3.29 8 0.24 1.14 +* + + +++ + peak 3115 Upper QD2 LEU 373 - H MET 383 5.50 10 0.37 1.52 ++++ + ++ + + * peak 1072 Upper QD2 LEU 373 - HA MET 383 3.96 17 1.29 2.65 ++++++++*+++++ + + + peak 1784 Upper QD2 LEU 373 - HB3 MET 383 5.50 7 0.21 0.82 ++ ++ + * + peak 2964 Upper QD2 LEU 373 - H LEU 386 4.89 12 0.52 1.61 ++++++ +* + + + + peak 1786 Upper QD2 LEU 373 - HG LEU 386 4.41 18 1.39 2.68 ++++*+ +++++++++ +++ peak 3066 Upper QD2 LEU 373 - QD1 LEU 386 2.98 20 1.90 2.97 ++++++++*+++++++++++ peak 3068 Upper QD2 LEU 373 - H LEU 387 4.45 13 0.40 1.03 ++++ +++* + + + + + peak 1102 Upper H ARG 374 - HD2 PRO 375 3.52 11 0.40 1.21 + +*+ +++ + +++ peak 313 Upper H ARG 374 - HD3 PRO 375 3.50 11 0.38 1.49 + ++ +++ + *++ + peak 994 Upper H ARG 374 - H GLU 376 4.81 15 0.51 1.18 + ++ +++*+ +++++++ peak 292 Upper H ARG 374 - QG2 VAL 377 5.32 6 0.17 0.90 + + + + +* peak 1739 Upper H ARG 374 - QD1 LEU 384 4.22 7 0.27 1.46 + + ++++ * peak 3026 Upper HB3 ARG 374 - HD2 PRO 375 3.83 9 0.29 1.01 ++ * + + + +++ peak 2684 Upper HB3 ARG 374 - HD3 PRO 375 3.73 11 0.42 1.32 + + ++++ * +++ + peak 2677 Upper QG ARG 374 - H ARG 378 4.18 12 0.59 2.45 + ++ + +++ *+ +++ peak 2673 Upper QD ARG 374 - H ARG 378 5.03 17 0.69 2.10 ++*++++++++ ++++++ peak 2669 Upper HA PRO 375 - QG1 VAL 377 3.96 15 0.61 1.89 ++ ++ + ++*+++++ ++ peak 2694 Upper HA PRO 375 - QE MET 383 3.63 6 0.40 2.16 ++ + *+ + peak 1643 Upper HA PRO 375 - QD1 LEU 384 3.95 8 0.35 1.87 * + + ++ + ++ peak 3007 Upper QB PRO 375 - QD1 LEU 384 4.03 7 0.30 2.11 * + + ++ + + peak 2697 Upper HD2 PRO 375 - QG2 VAL 377 4.93 17 0.87 2.24 + ++ *+++++++++ ++++ peak 1735 Upper HD2 PRO 375 - QD1 LEU 384 3.59 13 0.83 2.35 +++ + + +++ ++ +*+ peak 3006 Upper HD3 PRO 375 - QD1 LEU 384 4.45 6 0.19 1.46 +*+ + + + peak 2680 Upper H GLU 376 - QG2 VAL 377 4.24 14 0.42 1.69 +++ ++ ++++ * ++++ peak 1741 Upper H GLU 376 - QD1 LEU 384 5.50 10 0.28 1.48 + + + +++ ++*+ peak 1008 Upper HG2 GLU 376 - QG1 VAL 377 3.68 7 0.20 0.86 + * + ++ + + peak 2779 Upper HG3 GLU 376 - QG1 VAL 377 3.58 12 0.27 0.90 ++*++ +++ + + ++ peak 2753 Upper H VAL 377 - HG3 ARG 378 5.50 10 0.22 0.85 ++ + ++ + *+ ++ peak 2832 Upper H VAL 377 - QE MET 383 3.86 6 0.09 0.41 +* + +++ peak 1018 Upper HB VAL 377 - QE MET 383 2.95 16 0.61 1.34 ++ +++ ++++ ++++ ++* peak 1638 Upper QG2 VAL 377 - HG2 ARG 378 3.99 11 0.24 1.05 +* +++ ++ ++ ++ peak 2817 Upper HB3 ARG 378 - HG2 MET 383 5.50 6 0.10 0.80 +* ++ ++ peak 2823 Upper HD2 ARG 378 - QE MET 383 3.91 13 0.33 1.02 +*+++++++ ++++ peak 1642 Upper HB2 SER 379 - HG2 GLU 381 5.50 6 0.06 0.21 + + + ++ * peak 3034 Upper HA LYS 380 - H MET 383 5.50 8 0.11 0.65 + + +*++++ peak 2903 Upper HA LYS 380 - H LEU 384 5.50 10 0.20 0.76 + + + ++*+ + + + peak 2904 Upper HA LYS 380 - QD1 LEU 384 4.37 6 0.09 0.55 + * + ++ + peak 2861 Upper HB2 LYS 380 - QD1 LEU 384 5.50 10 0.27 0.86 + + +* ++ ++ + + peak 2860 Upper QD LYS 380 - QD1 LEU 384 5.42 12 0.23 0.86 + +++ + ++ ++*+ + peak 2853 Upper HE2 LYS 380 - H GLN 382 5.50 9 0.14 0.50 +++ +* + ++ + peak 1054 Upper H GLU 381 - QD1 LEU 384 5.50 7 0.12 0.82 * + + + ++ + peak 1046 Upper H MET 383 - HG2 MET 383 4.02 7 0.16 0.65 + *+++ ++ peak 1068 Upper H MET 383 - QE MET 383 4.14 9 0.16 0.78 + ++ + + + +* + peak 1070 Upper HA MET 383 - QD2 LEU 386 4.08 7 0.19 0.96 * ++ ++++ peak 2975 Upper HB3 MET 383 - QD1 LEU 384 4.60 6 0.19 1.57 * ++ +++ peak 2962 Upper HG2 MET 383 - QD1 LEU 386 5.50 6 0.07 0.36 +++ +* + peak 3058 Upper HG2 MET 383 - QD2 LEU 387 4.77 16 0.49 1.05 +++ *+ +++ +++++ +++ peak 2961 Upper QE MET 383 - QD1 LEU 384 2.57 12 0.46 1.60 + + + +++ ++ +*++ peak 1636 Upper HA LEU 384 - H VAL 388 5.50 8 0.18 0.91 ++ + + * +++ peak 3020 Upper QB LEU 384 - H VAL 388 5.50 9 0.21 0.86 +++* + + +++ peak 3015 Upper QD1 LEU 384 - H GLU 385 4.58 7 0.12 0.88 *+ + + +++ peak 3024 Upper QD1 LEU 384 - H LEU 386 5.50 7 0.17 1.03 + * + + +++ peak 3023 Upper H GLU 385 - HB3 LEU 386 5.50 9 0.12 0.55 + + ++ ++* + + peak 1088 Upper H LEU 386 - HB3 LEU 387 5.50 7 0.12 0.53 + * ++ + ++ peak 3103 Upper HA LEU 386 - H LEU 389 4.40 13 0.67 2.49 ++++ +++++ + * ++ peak 3088 Upper HA LEU 386 - HB2 LEU 389 5.06 11 0.39 1.19 ++*++ ++ + ++ + peak 1888 Upper HA LEU 386 - HB3 LEU 389 4.51 7 0.37 1.48 ++ + ++ * + peak 1886 Upper HB2 LEU 386 - HG LEU 386 2.76 8 0.09 0.25 ++ + + *+ ++ peak 342 Upper HB3 LEU 386 - H LEU 387 4.30 7 0.10 0.34 + + * + ++ + peak 1108 Upper HG LEU 386 - H LEU 387 4.74 6 0.12 0.68 + +++ +* peak 3076 Upper H LEU 387 - HG LEU 387 3.81 6 0.14 0.74 + * + ++ + peak 3100 Upper HA LEU 387 - QD2 LEU 387 3.16 7 0.15 0.63 * + + + + + + peak 847 QD2 LEU 87 - HA LEU 387 Upper HG LEU 387 - H VAL 388 5.00 8 0.21 0.93 + * + +++++ peak 3102 Upper H VAL 388 - H LEU 389 3.66 6 0.12 0.89 ++ + * ++ peak 365 Upper H VAL 388 - HB3 LEU 389 4.55 11 0.31 1.29 +++ + + ++ *+ ++ peak 1120 Upper H VAL 388 - H GLU 390 5.04 12 0.30 0.89 ++++ ++ + + ++ *+ peak 405 Upper HA VAL 388 - H PHE 392 5.50 15 0.51 1.19 +*+++ ++ ++ +++++ + peak 3158 Upper HB VAL 388 - H PHE 392 5.12 17 1.53 2.97 ++++* ++ ++++++++++ peak 1165 Upper QG1 VAL 388 - H LEU 389 3.22 9 0.30 0.96 + *+ +++++ + peak 1139 Upper QG1 VAL 388 - H GLN 391 3.97 19 0.96 2.32 +*++ +++++++++++++++ peak 1159 Upper QG1 VAL 388 - HG2 PRO 412 4.80 6 0.15 0.84 + ++ * ++ peak 3789 HG2 PRO 112 - QG1 VAL 388 Upper QG1 VAL 388 - HG3 PRO 412 3.65 10 0.55 1.75 + *+ +++ ++ ++ peak 3777 HG3 PRO 112 - QG1 VAL 388 Upper H LEU 389 - QD2 LEU 389 3.95 8 0.16 0.86 + + *+++ ++ peak 3198 Upper H LEU 389 - HB2 PHE 392 5.50 10 0.35 3.57 * + ++ + + ++ ++ peak 473 Upper H LEU 389 - HG3 PRO 412 4.67 7 0.28 1.64 + ++ + ++ * peak 3813 HG3 PRO 112 - H LEU 389 Upper HA LEU 389 - QD2 LEU 389 2.93 7 0.14 0.71 +* ++ + ++ peak 856 Upper HB2 LEU 389 - H GLU 390 3.45 19 0.81 1.17 +++++ +++*++++++++++ peak 1144 Upper HB2 LEU 389 - HA PRO 412 4.85 12 0.67 1.55 +* ++++++ ++ + + peak 3741 Upper HB3 LEU 389 - QD2 LEU 389 2.99 6 0.05 0.20 + + ++* + peak 3184 Upper HB3 LEU 389 - HD2 PRO 412 5.50 13 0.40 1.28 + ++++ *++ + ++ + + peak 3774 Upper QD1 LEU 389 - H GLY 410 4.84 18 1.28 2.99 +++*++++ ++++ ++++++ peak 1258 Upper QD1 LEU 389 - HA2 GLY 410 5.50 18 1.12 2.39 + ++++++ +++++++*+++ peak 3713 Upper QD1 LEU 389 - HA3 GLY 410 5.35 12 0.44 2.15 +++++ + + ++* ++ peak 3715 Upper QD1 LEU 389 - HA SER 411 3.83 9 0.32 1.40 + + +++ +++ * peak 3737 Upper QD2 LEU 389 - QD PHE 392 4.17 17 0.85 2.42 +* +++++++ ++ ++++++ peak 3200 Upper QD2 LEU 389 - H SER 411 5.17 15 0.71 2.11 + ++++++++ + *++ ++ peak 3199 Upper QD2 LEU 389 - HA PRO 412 3.80 15 0.75 2.52 ++ ++++++++ + *+ ++ peak 3744 Upper HA GLN 391 - HE21 GLN 391 5.50 8 0.16 0.72 + + + +*++ + peak 1859 HA GLN 91 - HE21 GLN 391 Upper HA GLN 391 - H ALA 395 5.16 18 0.86 3.41 +*++++++ ++++++++ ++ peak 1860 Upper HE21 GLN 391 - H ALA 395 5.50 7 0.11 0.50 + + + + + + * peak 447 H ALA 395 - HE22 GLN 401 H ALA 95 - HE22 GLN 401 Upper HE22 GLN 391 - H ALA 395 5.05 17 0.84 1.73 ++ +++++++ *+++++++ peak 446 Upper HE22 GLN 391 - QB ALA 395 4.10 13 0.36 1.22 + ++ *+ + +++++ ++ peak 1719 Upper H PHE 392 - H ALA 395 5.50 15 0.27 0.94 +++++ ++ +++ +++ +* peak 426 Upper QD PHE 392 - H LEU 393 3.98 7 0.12 0.58 ++ + *+ + + peak 440 H LEU 93 - QD PHE 392 Upper QD PHE 392 - HG LEU 393 5.50 6 0.14 0.73 ++ + +* + peak 3284 HG LEU 93 - QD PHE 392 Upper QD PHE 392 - QD2 LEU 393 4.43 8 0.20 0.91 + + + + * + ++ peak 3289 Upper QD PHE 392 - QD2 LEU 396 4.53 18 0.93 2.46 +++++*++++ ++++++++ peak 153 QD PHE 92 - QD2 LEU 396 Upper QE PHE 392 - QD2 LEU 393 4.69 8 0.22 0.82 + + ++* + ++ peak 3290 QD2 LEU 93 - QE PHE 392 Upper QE PHE 392 - QB ALA 395 4.75 7 0.18 0.93 + + +*+ + + peak 160 QE PHE 92 - QB ALA 395 Upper QE PHE 392 - QD1 LEU 396 4.29 9 0.15 0.59 + + + + ++++ * peak 165 QE PHE 92 - QD1 LEU 396 Upper QE PHE 392 - QD2 LEU 396 4.79 8 0.27 1.18 + + *++ ++ + peak 3349 QD2 LEU 96 - QE PHE 392 Upper QE PHE 392 - QD2 LEU 396 4.87 6 0.23 1.32 + + * ++ + peak 167 QE PHE 92 - QD2 LEU 396 Upper QE PHE 392 - QQG VAL 404 4.97 7 0.13 0.80 + ++* + ++ peak 3580 Upper QE PHE 392 - QG1 VAL 419 4.28 7 0.10 0.68 + ++* ++ + peak 3973 Upper QE PHE 392 - QG2 VAL 419 5.50 7 0.14 0.75 ++ + +* + + peak 3977 Upper HZ PHE 392 - QD1 LEU 396 4.96 7 0.33 1.58 * ++ +++ + peak 182 HZ PHE 92 - QD1 LEU 396 Upper HZ PHE 392 - QD2 LEU 396 5.23 10 0.50 1.69 + + *++++ ++ + peak 183 HZ PHE 92 - QD2 LEU 396 Upper HZ PHE 392 - QB ALA 415 4.21 10 0.27 1.25 + *++ + ++ + ++ peak 178 Upper HZ PHE 392 - HA ALA 416 3.91 6 0.40 1.62 +* ++ ++ peak 117 Upper HZ PHE 392 - QG1 VAL 419 3.50 14 0.75 2.79 + ++*+++ +++ ++ ++ peak 174 Upper H LEU 393 - QD1 LEU 396 5.50 14 0.69 1.62 + ++ ++ ++ *++++++ peak 3357 Upper HA LEU 393 - QD2 LEU 393 3.24 7 0.22 0.86 + ++ *+ + + peak 881 QD2 LEU 93 - HA2 GLY 394 Upper HA LEU 393 - QD2 LEU 393 3.27 7 0.22 0.85 + ++ *+ + + peak 391 Upper HA LEU 393 - QD2 LEU 396 4.78 17 0.80 1.75 *+++++ +++ ++++++++ peak 3260 Upper HA LEU 393 - HE22 GLN 405 5.50 15 0.95 3.69 +++* ++ ++ +++++ ++ peak 521 HA2 GLY 394 - HE22 GLN 405 Upper HB3 LEU 393 - H GLY 394 3.96 10 0.14 0.37 + + + ++ * ++ ++ peak 1178 Upper QD1 LEU 393 - HE21 GLN 405 5.50 8 0.36 1.77 +* ++ + ++ + peak 3297 Upper QD1 LEU 393 - HE22 GLN 405 5.29 9 0.25 1.21 * + ++ +++ ++ peak 1230 HE22 GLN 105 - QD1 LEU 418 HE22 GLN 105 - QD2 LEU 418 Upper QD1 LEU 393 - HG3 PRO 409 3.51 8 0.23 0.65 + ++ + +*+ + peak 3681 HG3 PRO 409 - QD1 LEU 418 Upper QD1 LEU 393 - HG3 PRO 409 3.46 18 1.34 3.14 +++++ ++++++++++* ++ peak 3270 Upper QD1 LEU 393 - HD3 PRO 409 4.08 20 2.14 3.12 *+++++++++++++++++++ peak 3275 Upper QD2 LEU 393 - H GLY 394 4.77 7 0.19 0.75 + +* ++ + + peak 1180 H GLY 94 - QD2 LEU 393 Upper QD2 LEU 393 - H GLN 405 5.50 16 0.76 1.74 +++ ++ +++ +*++++++ peak 3295 Upper QD2 LEU 393 - HA GLN 405 3.75 18 1.66 3.47 ++++ ++++++ +*++++++ peak 3278 Upper QD2 LEU 393 - QG GLN 405 4.74 8 0.53 1.88 ++ + +* + ++ peak 3269 Upper QD2 LEU 393 - HG3 PRO 409 3.73 13 1.54 3.45 ++* + ++ +++++ ++ peak 3266 Upper H GLY 394 - QD1 LEU 396 4.87 11 0.60 1.44 ++ + ++ *++++ + peak 1181 H GLY 94 - QD1 LEU 396 Upper H GLY 394 - HE22 GLN 401 5.50 12 0.68 1.54 +* + ++ +++++ ++ peak 433 Upper HA2 GLY 394 - HE21 GLN 401 3.56 16 1.47 2.91 +++++ ++ ++ ++*++ ++ peak 455 Upper HA2 GLY 394 - HE22 GLN 401 5.35 7 0.12 0.58 + ++ + *+ + peak 3302 HA2 GLY 94 - HE22 GLN 401 Upper HA3 GLY 394 - HE22 GLN 401 5.18 14 1.07 2.10 + ++ + ++ ++*+++++ peak 3306 HA3 GLY 94 - HE22 GLN 401 Upper H ALA 395 - H LEU 396 3.34 9 0.29 0.99 ++ + *+ +++ + peak 452 H LEU 396 - HE21 GLN 401 Upper H ALA 395 - QD1 LEU 396 4.56 14 0.46 0.96 + +++ ++ ++ +++*+ + peak 1113 H ALA 95 - QD1 LEU 396 Upper H LEU 396 - QD1 LEU 396 3.78 13 0.49 1.21 ++ *+ ++ +++++ ++ peak 1188 H LEU 96 - QD1 LEU 396 Upper H LEU 396 - HG3 GLN 401 5.50 6 0.11 0.51 + + *++ + peak 1184 Upper HA LEU 396 - H GLN 401 5.50 13 0.45 1.26 +++ + ++* ++++++ peak 3367 Upper HB2 LEU 396 - HA GLN 401 3.93 13 0.41 1.53 + ++ + ++* ++++++ peak 3509 Upper HB2 LEU 396 - HE21 GLN 401 4.34 8 0.24 0.91 *+ + ++ +++ peak 1198 Upper HB3 LEU 396 - QD2 LEU 396 3.05 6 0.04 0.13 + + + *+ + peak 1743 Upper HB3 LEU 396 - HA GLN 401 5.47 6 0.10 0.76 + + * + + + peak 3335 Upper HB3 LEU 396 - HB3 GLN 401 4.03 7 0.13 0.75 +* + +++ + peak 3512 HB3 GLN 401 - QQG VAL 404 Upper HB3 LEU 396 - HE22 GLN 401 5.22 8 0.18 0.93 ++ + * + + ++ peak 1208 Upper HG LEU 396 - QG1 VAL 419 4.28 7 0.15 0.60 + + ++ ++ * peak 3952 Upper HG LEU 396 - QG2 VAL 419 3.82 13 0.55 1.91 ++ +++ +++*+++ + peak 3956 Upper QD1 LEU 396 - H ILE 400 4.55 14 0.36 0.97 +++++ +++++ ++ +* peak 234 Upper QD1 LEU 396 - HA VAL 404 5.50 13 0.35 1.40 ++++ + ++*+ ++ + + peak 3590 Upper QD1 LEU 396 - HA VAL 419 4.95 6 0.12 0.78 + ++ +*+ peak 3947 Upper QD2 LEU 396 - HG2 PRO 397 4.99 6 0.17 1.48 *+ + + + + peak 1748 Upper QD2 LEU 396 - QG2 ILE 400 3.23 20 0.75 2.51 *+++++++++++++++++++ peak 3465 Upper QD2 LEU 396 - HB3 GLN 401 5.50 10 0.24 1.06 + + ++ ++++ + * peak 4064 Upper QD2 LEU 396 - HE21 GLN 401 5.25 7 0.26 1.37 + ++ +++ * peak 1202 HE21 GLN 101 - QD2 LEU 396 Upper QD2 LEU 396 - H VAL 419 5.50 9 0.30 1.30 * + + ++ ++ ++ peak 3351 Upper QD2 LEU 396 - HA VAL 419 5.50 6 0.11 0.54 * + + ++ + peak 3948 Upper QD2 LEU 396 - QG1 VAL 419 3.29 8 0.16 0.85 + + + ++ +* + peak 3949 Upper QD2 LEU 396 - QG2 VAL 419 3.47 6 0.11 0.57 + + * ++ + peak 1753 Upper HA PRO 397 - HG2 GLN 401 5.29 6 0.13 0.70 * +++ + + peak 3518 Upper HG2 PRO 397 - HG12 ILE 400 4.51 10 0.17 0.70 + * + + ++++++ peak 3386 Upper QG GLU 399 - H ALA 402 5.50 6 0.07 0.33 ++ + +* + peak 2241 Upper H ILE 400 - HG3 GLN 401 5.50 10 0.25 0.92 + *+++ ++ ++ + peak 4102 Upper QG2 ILE 400 - HA ARG 423 4.38 6 0.10 0.42 *+ + + + + peak 4021 QD2 LEU 422 - HA ARG 423 Upper HG12 ILE 400 - HA VAL 419 4.61 13 0.36 1.05 +++ ++ ++++++ + * peak 3945 Upper H GLN 401 - HE21 GLN 401 5.50 13 0.66 1.29 ++ ++ ++ ++*++ ++ peak 481 HE21 GLN 101 - H ALA 416 Upper H GLN 401 - HE22 GLN 401 5.50 11 0.16 0.50 ++ + *+ + +++ ++ peak 482 HE22 GLN 101 - H ALA 416 Upper HA GLN 401 - HE21 GLN 401 4.54 8 0.20 0.76 * + + + ++ ++ peak 475 Upper HA GLN 401 - H ARG 403 4.28 14 0.29 0.70 *+++ ++ + +++++ ++ peak 244 Upper HA GLN 401 - H VAL 404 3.97 7 0.11 0.49 + + + ++ +* peak 738 Upper HA GLN 401 - HB VAL 404 4.97 10 0.19 0.98 + + +* +++++ + peak 3598 Upper HG2 GLN 401 - HE21 GLN 401 3.66 6 0.10 0.43 +++ + *+ peak 1194 Upper HA ALA 402 - HE21 GLN 405 5.18 14 0.86 2.40 ++++++ +* +++ +++ peak 1591 Upper HA ALA 402 - HE22 GLN 405 5.50 8 0.17 0.93 * + +++ + ++ peak 497 Upper H ARG 403 - QD ARG 403 3.41 7 0.18 0.79 + ++ +* + + peak 240 Upper H ARG 403 - HB VAL 404 5.50 13 0.30 0.75 *++ + ++++++++ + peak 3442 Upper HA VAL 404 - H GLN 407 4.41 8 0.20 0.74 + * +++ + ++ peak 528 Upper HA VAL 404 - QG GLN 407 5.20 8 0.16 0.76 + +++ ++ * + peak 3588 Upper HA VAL 404 - QD1 LEU 418 3.70 11 0.30 1.00 ++ + ++ ++ ++ +* peak 3941 Upper HB VAL 404 - H GLN 405 3.94 6 0.10 0.40 ++ * ++ + peak 3577 Upper QQG VAL 404 - QB ALA 415 3.16 7 0.15 1.08 + + *+ + ++ peak 1681 Upper H GLN 405 - HE22 GLN 407 5.50 6 0.06 0.31 + + + ++* peak 512 Upper QB GLN 405 - HE21 GLN 405 4.03 8 0.09 0.34 +* ++ + + + + peak 1222 Upper H GLN 407 - HD3 PRO 409 5.11 6 0.08 0.47 + ++ * + + peak 529 Upper QG GLN 407 - QD2 LEU 418 4.18 8 0.20 0.88 + ++ * +++ + peak 3934 Upper HE22 GLN 407 - QD2 LEU 418 4.62 6 0.09 0.62 + *++++ peak 3914 Upper H ARG 408 - HG2 PRO 409 5.50 14 0.44 1.08 ++ ++ ++++* +++++ peak 1247 Upper H ARG 408 - HD2 PRO 409 3.91 7 0.17 0.80 + + + + ++ * peak 501 Upper HA PRO 409 - H SER 411 4.59 15 0.44 1.17 +++*+ +++++ +++ ++ peak 553 Upper HA PRO 409 - HG3 GLU 414 5.50 6 0.15 0.91 + ++ * ++ peak 3862 Upper HB2 PRO 409 - H ALA 415 4.36 7 0.16 0.69 ++* + + + + peak 3704 Upper HB3 PRO 409 - HB2 SER 411 5.50 12 0.34 1.09 + ++++*+ +++ ++ peak 3740 Upper HB3 PRO 409 - HB3 SER 411 4.81 7 0.17 0.69 ++ ++ * ++ peak 3739 Upper HB3 PRO 409 - H ALA 415 3.92 9 0.31 1.16 +*+ + ++ + + + peak 1283 Upper HB3 PRO 409 - QB ALA 415 4.51 8 0.37 1.50 ++++ + * ++ peak 3686 Upper HB3 PRO 409 - QD1 LEU 418 3.64 14 0.51 1.63 ++ ++ + +++ +++*++ peak 3685 Upper HG3 PRO 409 - H SER 411 4.78 8 0.24 0.97 + + ++ + + +* peak 1262 Upper HG3 PRO 409 - QB ALA 415 4.08 6 0.15 0.81 +++ * ++ peak 1682 Upper HD2 PRO 409 - QB ALA 415 5.26 13 0.47 1.50 +*+ ++ + ++ +++ + + peak 1686 Upper HD2 PRO 409 - QD1 LEU 418 3.66 6 0.21 1.31 + + + + * + peak 3940 Upper HD3 PRO 409 - QB ALA 415 5.50 6 0.23 1.37 +++ + * + peak 3671 Upper H GLY 410 - H ALA 415 5.48 6 0.10 0.71 ++ + + + * peak 540 Upper H SER 411 - H ALA 415 4.70 8 0.29 1.26 +* + + + ++ + peak 542 Upper H SER 411 - QB ALA 415 5.02 12 0.44 1.82 +++ ++ + *+++ + + peak 1263 Upper HA SER 411 - H GLU 414 5.14 7 0.18 1.40 + + + ++ +* peak 572 Upper HA PRO 412 - H ALA 415 4.87 16 0.48 1.16 +++++++ +++*+++ ++ peak 3804 Upper HG3 PRO 412 - H GLU 413 4.68 6 0.08 0.50 * + + + ++ peak 3814 Upper HD2 PRO 412 - HB2 GLU 413 5.03 10 0.30 1.59 ++ ++ + ++ ++* peak 3771 Upper H GLU 413 - HB2 GLU 413 3.18 6 0.08 0.47 + + + ++ * peak 1268 Upper H GLU 413 - H ALA 416 5.50 7 0.16 1.47 ++ *++ + + peak 634 Upper H GLU 413 - QB ALA 416 5.50 6 0.15 1.05 + + + +* + peak 1663 Upper HA GLU 413 - H ALA 417 4.25 9 0.68 2.00 ++ ++ ++ + +* peak 575 Upper HG2 GLU 413 - QB ALA 416 5.50 8 0.15 0.85 + + * +++ ++ peak 3838 Upper H GLU 414 - HG2 GLU 414 4.06 6 0.12 0.62 + + + +* + peak 1276 Upper H GLU 414 - H ALA 415 2.92 8 0.22 0.79 + ++ * + +++ peak 534 Upper H GLU 414 - QD2 LEU 418 5.50 11 0.23 1.02 + + *+++ ++ + ++ peak 1278 Upper HA GLU 414 - HG3 GLU 414 3.48 6 0.08 0.25 ++++ +* peak 1446 Upper HA GLU 414 - QD2 LEU 418 4.28 8 0.16 0.83 ++++ + *++ peak 3882 Upper H ALA 415 - HG LEU 418 5.05 6 0.28 1.39 ++ * + + + peak 3913 Upper HA ALA 415 - HG LEU 418 3.81 6 0.09 0.58 +* + + + + peak 3888 Upper HA ALA 415 - QD1 LEU 418 3.33 11 0.37 1.99 ++ + + + * ++++ + peak 3942 Upper QB ALA 415 - H ALA 417 3.72 19 0.56 1.30 +++++++++++++*+++ ++ peak 1295 Upper HA ALA 416 - H ASP 420 4.05 16 0.48 1.30 ++ ++++ ++ ++ +++*++ peak 624 Upper H ALA 417 - HB2 LEU 418 4.06 19 0.92 1.57 ++++++++ +*+++++++++ peak 1292 Upper HA ALA 417 - HB2 ASP 420 4.02 7 0.26 1.50 ++ ++ ++ * peak 3900 Upper HA ALA 417 - HB3 ASP 420 4.47 8 0.24 1.05 +* ++ ++ + + peak 1485 Upper QB ALA 417 - HB2 ASP 420 4.95 7 0.27 1.33 ++ ++ ++ * peak 1490 Upper HA LEU 418 - QD2 LEU 418 2.93 15 0.67 1.14 ++++ + ++ +++++++* peak 887 Upper HA LEU 418 - H GLY 421 3.80 6 0.06 0.27 + * + ++ + peak 619 Upper HA VAL 419 - HG LEU 422 5.17 7 0.13 0.60 ++ + *+ + + peak 4002 Upper HA VAL 419 - QD1 LEU 422 4.03 8 0.15 1.18 *+ + ++ + ++ peak 4006 Upper QG1 VAL 419 - H LEU 422 5.50 9 0.17 0.72 *+ ++ ++ + + + peak 1328 Upper H LEU 422 - HG LEU 422 3.06 6 0.09 0.44 + ++ + *+ peak 1324 Upper QD2 LEU 422 - H ARG 423 4.73 6 0.07 0.34 + + * ++ + peak 3992 VdW O ARG 44 - N PHE 47 2.75 6 0.16 0.53 + *+ ++ + VdW O ARG 44 - HB3 PHE 47 2.30 7 0.20 0.62 + + ++*++ VdW CG PHE 47 - C PHE 47 2.90 10 0.15 0.25 + ++++ + +*++ VdW CD1 PHE 47 - C PHE 47 3.10 7 0.21 0.95 + + *++++ VdW CD1 PHE 47 - N ARG 48 3.05 10 0.19 0.57 + ++ ++*++ + + VdW HD1 PHE 47 - N ARG 48 2.45 9 0.25 0.97 + + *++++ + + VdW CE1 PHE 47 - CA LEU 365 3.20 6 0.18 0.95 * + ++ ++ VdW CE2 PHE 47 - C GLN 364 3.10 7 0.19 0.81 + *+ + ++ + VdW CE2 PHE 47 - O GLN 364 2.90 6 0.13 0.94 + + + +* + VdW CD2 PHE 47 - C PHE 47 3.10 6 0.17 0.80 + + + *++ VdW CD2 PHE 47 - N ARG 48 3.05 9 0.15 0.51 + + ++ ++ +*+ VdW HD2 PHE 47 - N ARG 48 2.45 6 0.20 0.84 + + + *++ VdW C PHE 47 - H CYS 49 2.45 13 0.30 0.53 +++++ * ++ +++++ VdW O PHE 47 - HB3 GLN 364 2.30 6 0.14 0.65 ++ * +++ VdW HB3 PHE 50 - CG GLN 364 2.60 9 0.18 0.51 *+ ++ +++ ++ VdW HB3 PHE 50 - NE2 GLN 364 2.45 6 0.09 0.44 + + *+ + + VdW CG PHE 50 - CB ALA 363 3.20 8 0.15 0.61 + + +* +++ + VdW CZ PHE 50 - CB ALA 61 3.20 6 0.14 0.54 * ++ ++ + VdW CZ PHE 50 - CB ALA 95 3.20 6 0.13 0.67 ++ + + * + VdW HZ PHE 50 - CB ALA 95 2.60 6 0.12 0.60 + + ++ + * VdW CE2 PHE 50 - CB ALA 61 3.20 6 0.17 0.71 + + + * ++ VdW CE2 PHE 50 - O GLU 360 2.90 6 0.09 0.36 + ++ ++ * VdW HE2 PHE 50 - CA GLU 360 2.60 7 0.11 0.44 * + ++ ++ + VdW CD2 PHE 50 - O GLU 360 2.90 6 0.13 0.62 + +* ++ + VdW CB TYR 52 - CD GLU 360 3.10 8 0.18 0.51 + + + +++ +* VdW HB2 TYR 52 - CB GLU 360 2.60 9 0.17 0.45 + ++ ++++* + VdW HB2 TYR 52 - HB2 GLU 360 2.00 9 0.19 0.79 + +* +++++ + VdW HB2 TYR 52 - CG GLU 360 2.60 8 0.18 0.57 + + + *++ ++ VdW HB2 TYR 52 - CD GLU 360 2.50 8 0.19 0.63 + + * +++ ++ VdW CD1 TYR 52 - C TYR 52 3.10 7 0.11 0.37 *+ + ++ + + VdW CD1 TYR 52 - CD PRO 397 3.20 9 0.14 0.38 + +++ ++*++ VdW CD1 TYR 52 - HD3 PRO 397 2.60 14 0.36 0.65 +++ + +++ ++ ++*++ VdW CE1 TYR 52 - HD3 PRO 58 2.60 6 0.16 0.73 +* + + + + VdW CE1 TYR 52 - CD PRO 397 3.20 6 0.15 0.61 *+ + + + + VdW HE1 TYR 52 - CD PRO 58 2.60 7 0.11 0.36 ++ + ++* + VdW HE1 TYR 52 - HD3 PRO 58 2.00 8 0.22 0.70 ++ * + +++ + VdW CZ TYR 52 - HG3 PRO 397 2.60 10 0.19 0.45 + * ++ +++ + ++ VdW HE2 TYR 52 - HD3 PRO 58 2.00 6 0.12 0.55 + +* + + + VdW CD2 TYR 52 - C TYR 52 3.10 6 0.15 0.41 * ++ + + + VdW CD2 TYR 52 - HD3 PRO 397 2.60 7 0.12 0.59 + * ++ + + + VdW O GLU 53 - N GLY 57 2.75 10 0.20 0.53 + + *+ +++++ + VdW O GLU 53 - H GLY 57 1.80 6 0.10 0.35 + + + ++ * VdW CG2 THR 56 - C THR 56 2.90 10 0.16 0.32 +* + + ++ ++ ++ VdW N GLY 57 - O LEU 96 2.75 6 0.21 1.02 + + +* + + VdW CA GLY 57 - C LEU 96 3.10 6 0.16 0.59 * ++ ++ + VdW CA GLY 57 - O LEU 96 2.90 8 0.45 1.57 *+ ++ ++ + + VdW HA3 GLY 57 - C LEU 96 2.50 7 0.22 0.85 ++ +* + + + VdW HA3 GLY 57 - O LEU 96 2.30 8 0.45 1.74 ++ ++ ++ * + VdW C GLY 57 - C ALA 95 3.00 8 0.18 0.62 ++ ++ ++ + * VdW O GLY 57 - C GLY 94 2.80 8 0.33 1.04 ++ +* ++ + + VdW O GLY 57 - O GLY 94 2.60 8 0.22 0.91 ++ +* ++ + + VdW O GLY 57 - N ALA 95 2.75 8 0.33 1.11 +* ++ ++ + + VdW O GLY 57 - CA ALA 95 2.90 8 0.36 1.31 ++ ++ ++ + * VdW O GLY 57 - C ALA 95 2.80 8 0.24 0.95 ++ ++ ++ + * VdW CD PRO 58 - HB3 LEU 96 2.60 6 0.15 0.81 + + +* + + VdW CD PRO 58 - NE2 GLN 101 3.05 7 0.19 0.74 +* ++ ++ + VdW CD PRO 58 - HE21 GLN 101 2.55 7 0.18 0.64 *+ + ++ + + VdW CA PRO 58 - C LEU 93 3.10 8 0.22 0.94 +* ++ ++ + + VdW CA PRO 58 - N GLY 94 3.05 8 0.21 0.70 ++ ++ +* + + VdW HA PRO 58 - C LEU 93 2.50 8 0.24 0.99 +* ++ ++ + + VdW HA PRO 58 - N GLY 94 2.45 8 0.29 1.12 ++ ++ +* + + VdW HA PRO 58 - CA GLY 94 2.60 7 0.18 0.60 ++ +* ++ + VdW CB PRO 58 - H GLN 59 2.55 12 0.22 0.36 + ++ ++++ * ++ + + VdW CB PRO 58 - CA LEU 93 3.20 7 0.19 0.95 +* ++ ++ + VdW CB PRO 58 - HA LEU 93 2.60 8 0.24 1.07 ++ ++ +* + + VdW CB PRO 58 - C LEU 93 3.10 6 0.16 0.93 +* ++ + + VdW CB PRO 58 - CB GLN 359 3.20 11 0.29 0.64 ++ + ++ +++*+ + VdW CB PRO 58 - HB2 GLN 359 2.60 7 0.12 0.31 +* + + ++ + VdW CB PRO 58 - HB3 GLN 359 2.60 11 0.24 0.66 ++ *+ +++++ ++ VdW CB PRO 58 - H GLU 360 2.55 6 0.14 0.57 + + + + *+ VdW HB2 PRO 58 - H GLN 59 1.95 6 0.11 0.38 ++ + ++ * VdW HB2 PRO 58 - CA LEU 93 2.60 7 0.15 0.71 +* ++ ++ + VdW HB2 PRO 58 - HA LEU 93 2.00 8 0.29 0.88 +* ++ ++ + + VdW HB2 PRO 58 - CB GLN 359 2.60 12 0.39 0.90 ++ + +* +++++ ++ VdW HB2 PRO 58 - HB3 GLN 359 2.00 12 0.40 1.09 ++ + *+ +++++ ++ VdW HB3 PRO 58 - CD2 LEU 396 2.60 6 0.14 0.81 + + + * + + VdW CG PRO 58 - NE2 GLN 59 3.05 16 0.26 0.43 +++++++++ ++++* ++ VdW CG PRO 58 - HE22 GLN 59 2.55 11 0.26 0.61 +++++ ++++* + VdW CG PRO 58 - NE2 GLN 101 3.05 6 0.12 0.64 ++ + * + + VdW HG2 PRO 58 - H GLN 59 1.95 8 0.15 0.28 ++ ++ * + + + VdW HG2 PRO 58 - CD GLN 59 2.50 8 0.18 0.61 + + ++++* + VdW HG2 PRO 58 - NE2 GLN 59 2.45 18 0.49 0.82 + +++++++++ ++++++*+ VdW HG2 PRO 58 - HE22 GLN 59 1.95 14 0.31 0.56 ++ ++ ++ +++++++* VdW HD3 PRO 58 - NE2 GLN 101 2.45 7 0.20 0.82 ++ +* ++ + VdW HD3 PRO 58 - HE21 GLN 101 1.95 7 0.18 0.81 + *+ ++ + + VdW C PRO 58 - O PHE 92 2.80 6 0.21 0.91 + + ++ + * VdW C PRO 58 - N ALA 95 2.95 6 0.15 0.74 + +* ++ + VdW C PRO 58 - H ALA 95 2.45 7 0.19 0.88 ++ *+ ++ + VdW O PRO 58 - C GLN 59 2.80 16 0.36 0.48 + ++ *+++ +++++++++ VdW O PRO 58 - O GLN 59 2.60 6 0.15 0.63 + ++ ++ * VdW O PRO 58 - N GLU 60 2.75 12 0.29 0.61 +*+ + ++ ++++ ++ VdW O PRO 58 - O PHE 92 2.60 6 0.20 1.01 + + ++ * + VdW O PRO 58 - N ALA 95 2.75 7 0.34 1.23 * ++ ++ + + VdW O PRO 58 - H ALA 95 1.80 6 0.26 1.13 + *+ ++ + VdW N GLN 59 - CD GLN 59 2.95 6 0.12 0.44 + +* + ++ VdW N GLN 59 - NE2 GLN 59 2.90 15 0.31 0.62 +++ +*+ ++ ++ +++++ VdW H GLN 59 - CD GLN 59 2.45 10 0.23 0.62 ++ ++ ++++* + VdW H GLN 59 - HE21 GLN 59 1.90 9 0.33 1.14 + ++ *+++ ++ VdW CB GLN 59 - H GLU 60 2.55 6 0.12 0.39 + +* ++ + VdW CB GLN 59 - CB PRO 358 3.20 7 0.19 0.70 ++ ++ * + + VdW CB GLN 59 - HB2 PRO 358 2.60 8 0.21 0.86 +* ++ ++ + + VdW HB2 GLN 59 - CB LEU 96 2.60 6 0.15 0.74 + + +* + + VdW HB2 GLN 59 - HB2 LEU 96 2.00 6 0.23 0.95 * + ++ + + VdW HB3 GLN 59 - CB PRO 358 2.60 7 0.18 0.82 +* ++ + + + VdW HB3 GLN 59 - HB2 PRO 358 2.00 6 0.21 0.96 +* ++ + + VdW CG GLN 59 - CE2 PHE 92 3.20 7 0.17 0.78 *+ ++ ++ + VdW CG GLN 59 - CB ALA 416 3.20 10 0.20 0.55 ++ + + +++++ * VdW CG GLN 59 - C ALA 416 3.10 6 0.11 0.39 + * + + + + VdW CG GLN 59 - O ALA 416 2.90 8 0.17 0.54 ++ + + ++* + VdW HG3 GLN 59 - CE2 PHE 92 2.60 6 0.19 0.80 ++ + *+ + VdW HG3 GLN 59 - CA ALA 416 2.60 8 0.21 0.79 ++ * +++ + + VdW HG3 GLN 59 - CB ALA 416 2.60 9 0.39 1.01 ++ + +++++ * VdW HG3 GLN 59 - HB1 ALA 416 2.00 7 0.16 0.64 ++ + + +* + VdW HG3 GLN 59 - HB2 ALA 416 2.00 6 0.11 0.62 ++ + ++ * VdW NE2 GLN 59 - HA ALA 416 2.45 9 0.16 0.60 + ++ *++++ + VdW HE21 GLN 59 - HZ PHE 392 1.95 10 0.20 0.61 + + * +++++ ++ VdW HE21 GLN 59 - HA ALA 416 1.95 6 0.12 0.44 + + *+ + + VdW C GLN 59 - N ALA 61 2.95 20 0.52 0.67 ++++++++*+++++++++++ VdW C GLN 59 - H ALA 61 2.45 20 0.69 0.93 +++++++++++++++++*++ VdW O GLN 59 - C GLU 60 2.80 19 0.31 0.48 + ++++++*+++++++++++ VdW O GLN 59 - N ALA 61 2.75 20 0.86 1.32 ++++++++*+++++++++++ VdW O GLN 59 - H ALA 61 1.80 9 0.29 0.91 +++ ++ +* ++ VdW O GLN 59 - N LEU 62 2.75 7 0.18 0.48 + + +++ * + VdW CB GLU 60 - CB ALA 95 3.20 8 0.20 0.71 ++ ++ ++ * + VdW HB3 GLU 60 - CB ALA 95 2.60 7 0.17 0.82 ++ + ++ * + VdW HB3 GLU 60 - C ALA 95 2.50 7 0.24 0.90 *+ + ++ + + VdW CG GLU 60 - O GLU 60 2.90 8 0.14 0.58 ++ +* ++ + + VdW CG GLU 60 - CB ALA 95 3.20 6 0.14 0.71 +* ++ + + VdW CG GLU 60 - HB2 TYR 352 2.60 8 0.14 0.48 *+ ++ ++ + + VdW CD GLU 60 - CB TYR 352 3.10 6 0.11 0.39 +* ++ + + VdW C GLU 60 - CB ALA 95 3.10 8 0.25 0.88 ++ ++ +* + + VdW C GLU 60 - HB2 ALA 95 2.50 6 0.16 0.88 + ++ *+ + VdW O GLU 60 - CG GLN 64 2.90 9 0.23 0.68 * + + +++++ + VdW O GLU 60 - HG2 GLN 64 2.30 7 0.14 0.49 + +++* ++ VdW O GLU 60 - CB ALA 95 2.90 6 0.11 0.53 + ++ +* + VdW CA ALA 61 - CB ALA 363 3.20 11 0.29 0.74 ++ + + *++++ ++ VdW CA ALA 61 - HB2 ALA 363 2.60 7 0.16 0.88 + * + + ++ + VdW HA ALA 61 - CB ALA 363 2.60 10 0.31 1.04 ++ + + *++++ + VdW HA ALA 61 - HB2 ALA 363 2.00 6 0.17 0.80 * + + ++ + VdW CB ALA 61 - C GLN 91 3.10 7 0.11 0.51 ++ ++ * + + VdW CB ALA 61 - CA PHE 92 3.20 6 0.15 0.80 ++ + ++ * VdW CB ALA 61 - HA PHE 92 2.60 6 0.18 1.00 + + ++ * + VdW CB ALA 61 - N ALA 363 3.05 11 0.25 0.60 +* ++ +++++ ++ VdW CB ALA 61 - CB ALA 363 3.20 12 0.37 1.00 ++ + ++ +*+++ ++ VdW CB ALA 61 - HB2 ALA 363 2.60 7 0.21 0.81 + ++ +++ * VdW HB1 ALA 61 - CB ALA 363 2.60 6 0.17 0.95 + + +* + + VdW HB2 ALA 61 - CB ALA 363 2.60 6 0.17 0.69 + * + + ++ VdW C ALA 61 - N ALA 63 2.95 10 0.23 0.55 ++ ++ +* +++ + VdW C ALA 61 - H ALA 63 2.45 10 0.29 0.84 ++ + +* +++ ++ VdW C ALA 61 - O LEU 362 2.80 7 0.17 0.83 + + * + + ++ VdW O ALA 61 - C LEU 62 2.80 11 0.23 0.48 + ++++ + +*+ + + VdW O ALA 61 - N ALA 63 2.75 10 0.39 1.14 ++ ++ ++ *++ + VdW O ALA 61 - N GLN 64 2.75 12 0.28 0.69 + +++++ + *++ + + VdW O ALA 61 - H GLN 64 1.80 7 0.16 0.64 + ++ + *++ VdW O ALA 61 - O LEU 362 2.60 7 0.20 1.11 ++ *+ + ++ VdW O ALA 61 - HA ALA 363 2.30 7 0.15 0.57 + * + ++ + + VdW N LEU 62 - CB LEU 362 3.05 7 0.13 0.46 + + +*+ ++ VdW N LEU 62 - HB3 LEU 362 2.45 9 0.26 0.72 + ++ * +++ ++ VdW H LEU 62 - CA PHE 92 2.55 6 0.18 0.75 ++ +* + + VdW H LEU 62 - HA PHE 92 1.95 6 0.16 1.01 ++ +* + + VdW CA LEU 62 - CB LEU 362 3.20 7 0.16 0.45 * ++++ ++ VdW CA LEU 62 - HB3 LEU 362 2.60 12 0.37 0.78 ++ + ++ ++*++ ++ VdW CA LEU 62 - O LEU 362 2.90 8 0.16 0.63 + * + +++ ++ VdW HA LEU 62 - HB3 LEU 362 2.00 9 0.29 0.98 * + + ++++ ++ VdW HA LEU 62 - O LEU 362 2.30 8 0.18 0.78 + * + +++ ++ VdW HB2 LEU 62 - CD2 PHE 92 2.60 6 0.18 1.22 * + ++ + + VdW CD1 LEU 62 - CB PHE 92 3.20 6 0.22 1.14 +* + ++ + VdW CD1 LEU 62 - CD1 LEU 362 3.20 7 0.15 0.82 ++ *++ + + VdW CD1 LEU 62 - CD2 LEU 362 3.20 8 0.22 0.90 + + + + * ++ + VdW CD1 LEU 62 - O PRO 412 2.90 6 0.14 0.57 + * ++ + + VdW CD2 LEU 62 - CD2 LEU 362 3.20 7 0.25 0.99 * + + + + + + VdW O LEU 62 - CB LEU 365 2.90 6 0.16 0.97 +* ++ + + VdW O LEU 62 - CG LEU 365 2.90 7 0.24 1.00 * ++ ++ + + VdW O LEU 62 - CD1 LEU 365 2.90 6 0.17 1.02 ++ ++ * + VdW CB ALA 63 - CG PHE 350 3.20 6 0.14 0.60 +* ++ + + VdW CB ALA 63 - CB ALA 361 3.20 7 0.24 1.12 ++ + *+ + + VdW HB3 ALA 63 - CB ALA 361 2.60 6 0.11 0.56 * + ++ + + VdW N GLN 64 - HG2 GLN 64 2.45 10 0.18 0.38 ++ ++* +++ ++ VdW C GLN 64 - CZ PHE 347 3.10 7 0.22 1.09 ++ ++ ++ * VdW O GLN 64 - C LEU 65 2.80 9 0.15 0.39 + ++ ++ ++ *+ VdW N LEU 65 - CZ PHE 347 3.05 6 0.25 1.10 ++ ++ + * VdW CA LEU 65 - CZ PHE 347 3.20 7 0.19 0.72 ++ ++ ++ * VdW CB LEU 65 - H ARG 66 2.55 6 0.10 0.38 ++ + * ++ VdW CB LEU 65 - O LEU 362 2.90 6 0.21 1.09 *+ + + + + VdW HB2 LEU 65 - H ARG 66 1.95 6 0.10 0.49 *+ + + ++ VdW HB2 LEU 65 - O LEU 362 2.30 6 0.26 1.27 ++ + ++ * VdW CG LEU 65 - C LEU 362 3.10 8 0.22 0.78 ++ * + + + ++ VdW CG LEU 65 - O LEU 362 2.90 10 0.35 1.01 ++ + ++ +++ +* VdW HG LEU 65 - C LEU 362 2.50 6 0.19 0.88 + + + + *+ VdW HG LEU 65 - O LEU 362 2.30 6 0.28 1.25 + + + + +* VdW CD1 LEU 65 - C LEU 362 3.10 10 0.27 0.84 +* + + +++++ + VdW CD1 LEU 65 - O LEU 362 2.90 8 0.24 0.94 ++ * + +++ + VdW CD1 LEU 65 - HG LEU 365 2.60 6 0.14 0.93 * + + + + + VdW CD2 LEU 65 - C ALA 363 3.10 6 0.19 0.70 + * + + ++ VdW CD2 LEU 65 - HG LEU 365 2.60 6 0.11 0.46 + ++ * + + VdW C LEU 65 - N GLU 67 2.95 10 0.20 0.46 + ++ * ++ ++ ++ VdW C LEU 65 - H GLU 67 2.45 10 0.30 0.72 + *+ ++ ++ + ++ VdW C LEU 65 - CB ARG 366 3.10 7 0.12 0.46 + * + ++ + + VdW O LEU 65 - N GLU 67 2.75 16 0.49 0.89 *++++++ +++++ ++ ++ VdW O LEU 65 - H GLU 67 1.80 9 0.25 0.78 + * + +++ + ++ VdW O LEU 65 - HG2 GLU 67 2.30 6 0.11 0.69 + ++ + * + VdW N ARG 66 - HG3 ARG 66 2.45 8 0.12 0.39 ++ *+++ + + VdW H ARG 66 - CG ARG 66 2.55 14 0.24 0.41 + +++++ +++++ + *+ VdW H ARG 66 - HG3 ARG 66 1.95 9 0.19 0.63 ++ + *+++ + + VdW CA ARG 66 - SG CYS 69 3.40 10 0.23 0.86 + + + ++ + + ++* VdW HA ARG 66 - SG CYS 69 2.80 10 0.30 0.93 + + + ++ + + *++ VdW C ARG 66 - SG CYS 69 3.30 7 0.20 0.98 + ++ + ++* VdW CB GLU 67 - H LEU 68 2.55 11 0.22 0.39 ++ +++ +*++ ++ VdW CG GLU 67 - N LEU 68 3.05 13 0.33 0.79 ++ +++ ++++* +++ VdW CG GLU 67 - H LEU 68 2.55 14 0.42 1.06 ++ + ++ ++++* +++ + VdW HG3 GLU 67 - C GLU 67 2.50 6 0.12 0.50 +* ++ ++ VdW HG3 GLU 67 - N LEU 68 2.45 8 0.28 0.98 ++ ++ + +* + VdW HG3 GLU 67 - H LEU 68 1.95 7 0.20 0.97 + + + * + + + VdW C GLU 67 - N CYS 69 2.95 8 0.15 0.59 + +* + + + ++ VdW C GLU 67 - H CYS 69 2.45 9 0.21 0.75 + + +* + + + ++ VdW O GLU 67 - N CYS 69 2.75 7 0.17 1.11 + +* + + + + VdW O LEU 68 - O CYS 69 2.60 9 0.19 0.57 ++ ++ +++ *+ VdW H CYS 69 - SG CYS 69 2.75 6 0.12 0.55 + + + + * + VdW CA CYS 69 - CZ3 TRP 72 3.20 6 0.17 0.79 + ++ + + * VdW CA CYS 69 - CZ2 TRP 72 3.20 6 0.15 0.84 + +++ + * VdW CA CYS 69 - CH2 TRP 72 3.20 6 0.16 0.71 ++ + + * + VdW HA CYS 69 - CE2 TRP 72 2.60 9 0.23 0.82 ++ +* +++ ++ VdW HA CYS 69 - CZ2 TRP 72 2.60 10 0.31 1.27 +++ ++ +++ * + VdW HA CYS 69 - CH2 TRP 72 2.60 6 0.19 0.77 ++ + + + * VdW CB CYS 69 - H ARG 70 2.55 14 0.23 0.40 + +*+ + ++ +++++++ VdW HB2 CYS 69 - H ARG 70 1.95 6 0.14 0.62 +++ * + + VdW SG CYS 69 - N ARG 70 3.25 6 0.17 0.80 ++ + * ++ VdW SG CYS 69 - H ARG 70 2.75 6 0.17 0.84 ++ + + + * VdW SG CYS 69 - CD ARG 70 3.40 7 0.21 1.19 * + + + +++ VdW SG CYS 69 - HD2 ARG 70 2.80 7 0.29 1.46 * + + + +++ VdW C CYS 69 - N GLN 71 2.95 11 0.20 0.59 + ++ ++ ++ ++ *+ VdW C CYS 69 - CE3 TRP 72 3.10 7 0.22 0.91 + ++ * + + + VdW C CYS 69 - CZ3 TRP 72 3.10 7 0.26 1.05 + ++ * + + + VdW O CYS 69 - C ARG 70 2.80 17 0.36 0.48 ++++* ++++++ +++ +++ VdW O CYS 69 - N GLN 71 2.75 15 0.55 1.28 +++++++ ++ +++ *++ VdW O CYS 69 - CE3 TRP 72 2.90 9 0.22 1.03 + ++ + * ++ + + VdW N ARG 70 - CD ARG 70 3.05 7 0.15 0.48 + *+ ++ + + VdW N ARG 70 - CZ3 TRP 72 3.05 7 0.21 0.81 ++ +* + + + VdW N ARG 70 - HZ3 TRP 72 2.45 6 0.15 0.69 + ++ * + + VdW C ARG 70 - N TRP 72 2.95 15 0.30 0.57 +++++++*+ ++++ + + VdW C ARG 70 - H TRP 72 2.45 15 0.49 0.84 +++++++* ++++++ + VdW O ARG 70 - N TRP 72 2.75 15 0.48 0.94 +++++ +*+ ++++ + ++ VdW O ARG 70 - H TRP 72 1.80 10 0.23 0.74 ++ ++ + ++ * + + VdW O GLN 71 - HB3 TRP 72 2.30 6 0.14 0.69 + +* ++ + VdW N TRP 72 - HE3 TRP 72 2.45 9 0.19 0.56 + ++ *+ + + ++ VdW H TRP 72 - HE3 TRP 72 1.95 7 0.18 0.68 + *+ + + + + VdW H TRP 72 - H LEU 73 1.90 11 0.19 0.40 + ++ *+++++++ VdW CD2 TRP 72 - C TRP 72 3.10 9 0.18 0.41 + ++ + +* + ++ VdW CD2 TRP 72 - CB ARG 370 3.20 6 0.22 1.24 + + ++ * + VdW CE3 TRP 72 - C TRP 72 3.10 17 0.39 0.90 + +++++++ ++++*++ ++ VdW CE3 TRP 72 - N LEU 73 3.05 13 0.27 0.62 ++++ ++ ++++++ * VdW HE3 TRP 72 - C TRP 72 2.50 14 0.38 1.06 + +++++++ +++ *+ + VdW HE3 TRP 72 - O TRP 72 2.30 8 0.24 1.51 ++ ++ ++ * + VdW HE3 TRP 72 - N LEU 73 2.45 11 0.24 0.70 + ++ + ++ ++++ * VdW CZ3 TRP 72 - CB LEU 73 3.20 7 0.18 0.56 + * + ++ + + VdW CZ3 TRP 72 - HB2 LEU 73 2.60 7 0.21 0.93 * + + ++ + + VdW CZ3 TRP 72 - CA ARG 370 3.20 6 0.17 1.21 + + + + *+ VdW CH2 TRP 72 - N ARG 370 3.05 7 0.16 0.63 * + + + + ++ VdW CH2 TRP 72 - CA ARG 370 3.20 6 0.22 1.02 + *+ + ++ VdW CG LEU 73 - N ARG 74 3.05 6 0.10 0.41 +*+ + + + VdW CD2 LEU 73 - CD1 LEU 373 3.20 6 0.17 1.12 + * ++ ++ VdW O LEU 73 - CB ARG 74 2.90 7 0.14 0.59 +++ ++ *+ VdW O LEU 73 - HB3 ARG 74 2.30 6 0.16 0.63 + ++* + + VdW O LEU 73 - O ARG 74 2.60 6 0.12 0.58 +* ++ + + VdW HA ARG 74 - CD PRO 75 2.60 16 0.25 0.31 +++* +++++ +++++++ VdW HG2 ARG 74 - C ARG 74 2.50 6 0.12 0.46 + + ++ * + VdW O ARG 74 - CG2 VAL 77 2.90 6 0.19 1.06 + + +* ++ VdW C PRO 75 - H VAL 77 2.45 8 0.19 0.63 ++ + * + ++ + VdW HG3 GLU 76 - C GLU 76 2.50 6 0.11 0.34 + + +* ++ VdW O VAL 77 - CG ARG 78 2.90 9 0.16 0.41 + + ++ + + +* + VdW O VAL 77 - HG3 ARG 78 2.30 7 0.12 0.36 + ++ + + + * VdW CB ARG 78 - H SER 79 2.55 16 0.30 0.40 ++++++++ *++++++ + VdW HB3 ARG 78 - N SER 79 2.45 7 0.13 0.31 +++ *+ + + VdW HB3 ARG 78 - H SER 79 1.95 11 0.19 0.50 ++++ *+ ++ + ++ VdW O LYS 80 - CD2 LEU 84 2.90 7 0.15 0.51 + * + ++ + + VdW C MET 83 - H GLU 85 2.45 6 0.14 0.74 ++* + + + VdW O MET 83 - CD1 LEU 86 2.90 7 0.17 0.74 + + +* + ++ VdW O MET 83 - CD2 LEU 86 2.90 8 0.15 0.61 *+ + + +++ + VdW N LEU 84 - CD2 LEU 84 3.05 9 0.26 0.88 ++++ + +*+ + VdW H LEU 84 - CG LEU 84 2.55 9 0.17 0.34 ++ + + ++ * + + VdW H LEU 84 - HG LEU 84 1.95 8 0.13 0.52 *++ + + + ++ VdW H LEU 84 - CD2 LEU 84 2.55 10 0.28 0.97 +++* + +++ + + VdW CA LEU 84 - CD1 LEU 87 3.20 10 0.24 0.86 ++ + ++ + + +*+ VdW HA LEU 84 - CD1 LEU 87 2.60 12 0.35 1.17 ++ + +++ ++++*+ VdW HA LEU 84 - HD11 LEU 87 2.00 6 0.13 0.91 + + ++ + * VdW C LEU 84 - CD1 LEU 87 3.10 7 0.15 0.70 +* + + + ++ VdW C LEU 84 - HD13 LEU 87 2.50 6 0.15 0.84 +* + + + + VdW CD2 LEU 86 - C LEU 86 3.10 13 0.26 0.58 ++ +++ +*+ + + +++ VdW CD2 LEU 86 - N LEU 87 3.05 7 0.14 0.50 + +* +++ + VdW CB LEU 87 - H VAL 88 2.55 6 0.12 0.40 + + + + + * VdW CD1 LEU 87 - CD1 LEU 387 3.20 6 0.12 0.65 + + + ++ * VdW CD2 LEU 87 - CD1 LEU 387 3.20 9 0.30 0.84 + ++ + +++ +* VdW CD2 LEU 87 - HD13 LEU 387 2.60 6 0.16 0.71 + + ++* + VdW CD2 LEU 87 - CD2 LEU 387 3.20 8 0.22 0.64 ++ + +* + + + VdW CA VAL 88 - CG GLU 390 3.20 7 0.15 0.48 ++ ++ *++ VdW CA VAL 88 - HG2 GLU 390 2.60 6 0.21 0.83 ++ *+ ++ VdW HA VAL 88 - CB GLU 390 2.60 6 0.14 0.86 * + + + ++ VdW HA VAL 88 - CG GLU 390 2.60 9 0.31 0.91 + ++ ++ +*++ VdW HA VAL 88 - HG2 GLU 390 2.00 7 0.28 1.18 ++ ++ *++ VdW HA VAL 88 - CD GLU 390 2.50 6 0.13 0.75 + + +++ * VdW CB VAL 88 - H LEU 89 2.55 8 0.16 0.42 * + + + +++ + VdW CB VAL 88 - C VAL 388 3.10 7 0.21 1.05 ++* + ++ + VdW CG1 VAL 88 - C LEU 387 3.10 7 0.18 0.72 + ++ +++* VdW CG1 VAL 88 - O LEU 387 2.90 6 0.13 0.63 + *+ ++ + VdW CG1 VAL 88 - CA VAL 388 3.20 8 0.22 0.79 +*+ + + + + + VdW CG1 VAL 88 - HA VAL 388 2.60 6 0.18 1.00 +++ * + + VdW CG1 VAL 88 - C VAL 388 3.10 6 0.22 1.50 * + + + ++ VdW CG1 VAL 88 - O VAL 388 2.90 6 0.27 1.56 *++ + + + VdW CG2 VAL 88 - C VAL 88 2.90 6 0.10 0.33 * + + + ++ VdW CG2 VAL 88 - O LEU 387 2.90 6 0.13 0.84 ++ * + + + VdW CG2 VAL 88 - CA VAL 388 3.20 9 0.26 1.11 ++ + + * +++ + VdW CG2 VAL 88 - HA VAL 388 2.60 8 0.22 1.24 + + + + * ++ + VdW CG2 VAL 88 - C VAL 388 3.10 11 0.44 1.55 + + * + + ++ +++ + VdW CG2 VAL 88 - O VAL 388 2.90 9 0.35 1.55 + * + + + + + + + VdW CG2 VAL 88 - HB2 GLU 390 2.60 6 0.18 0.88 + + ++* + VdW HG21 VAL 88 - C VAL 388 2.50 8 0.28 1.67 * + ++ +++ + VdW HG21 VAL 88 - O VAL 388 2.30 7 0.18 0.70 + * + +++ + VdW HG23 VAL 88 - C VAL 388 2.50 7 0.18 0.99 + + * ++ + + VdW C VAL 88 - N GLU 90 2.95 10 0.20 0.49 *+ ++ + ++++ + VdW C VAL 88 - H GLU 90 2.45 9 0.18 0.51 *+ ++ + +++ + VdW O VAL 88 - C LEU 89 2.80 10 0.22 0.48 +*++ + ++++ + VdW O VAL 88 - N GLU 90 2.75 15 0.58 1.15 *++ ++++++++++ ++ VdW O VAL 88 - H GLU 90 1.80 8 0.25 0.82 + *+ + + + + + VdW O VAL 88 - CA GLU 390 2.90 8 0.23 0.97 + ++ ++ + +* VdW CA LEU 89 - HB3 LEU 389 2.60 6 0.16 0.80 + ++ *+ + VdW CA LEU 89 - O LEU 389 2.90 6 0.17 0.79 + +* ++ + VdW HA LEU 89 - O LEU 389 2.30 8 0.18 0.87 + ++ ++++* VdW CG LEU 89 - CB LEU 389 3.20 7 0.21 0.94 * + ++ ++ + VdW CG LEU 89 - HB3 LEU 389 2.60 7 0.23 0.99 + + *+ +++ VdW HG LEU 89 - CB LEU 389 2.60 7 0.31 1.18 + + ++ +* + VdW CA GLN 91 - O GLU 390 2.90 7 0.26 1.16 + ++ + +*+ VdW CG GLN 91 - O GLU 390 2.90 6 0.22 1.18 ++ + +*+ VdW HG3 GLN 91 - C GLN 91 2.50 7 0.15 0.50 ++ ++++* VdW HG3 GLN 91 - O GLU 390 2.30 6 0.19 0.95 + + ++ *+ VdW NE2 GLN 91 - HB3 GLN 391 2.45 6 0.13 0.65 + + +++ * VdW HE21 GLN 91 - CG GLN 391 2.55 6 0.10 0.44 + + * +++ VdW C GLN 91 - O GLU 390 2.80 9 0.44 1.49 + + ++ ++++* VdW N PHE 92 - C GLU 390 2.95 10 0.45 1.26 + + ++ ++++* + VdW N PHE 92 - O GLU 390 2.75 11 0.69 2.02 ++ + ++ ++++* + VdW H PHE 92 - CA GLU 390 2.55 7 0.20 0.85 * + + +++ + VdW H PHE 92 - C GLU 390 2.45 10 0.39 1.33 + + *+ +++++ + VdW H PHE 92 - O GLU 390 1.80 8 0.25 1.00 ++ + *+ ++ + VdW CA PHE 92 - C GLU 390 3.10 10 0.27 0.92 + + ++ +++++ * VdW CA PHE 92 - O GLU 390 2.90 8 0.31 1.39 ++ + ++ + + * VdW CA PHE 92 - N GLN 391 3.05 7 0.14 0.59 + + * +++ + VdW CA PHE 92 - CA GLN 391 3.20 7 0.18 0.80 *+ ++ +++ VdW CA PHE 92 - HA GLN 391 2.60 6 0.17 1.21 *+ + +++ VdW HA PHE 92 - CA GLN 391 2.60 9 0.33 1.02 ++ ++ *++++ VdW HA PHE 92 - HA GLN 391 2.00 8 0.24 1.20 *+ ++ +++ + VdW HA PHE 92 - C GLN 391 2.50 7 0.15 0.44 ++ * + ++ + VdW CB PHE 92 - H LEU 93 2.55 6 0.13 0.35 + + + ++ * VdW CB PHE 92 - C LEU 389 3.10 7 0.16 0.68 * ++ + +++ VdW CB PHE 92 - N GLU 390 3.05 6 0.12 0.63 * ++ +++ VdW CB PHE 92 - C GLU 390 3.10 7 0.16 1.01 ++ ++ + + * VdW HB2 PHE 92 - N GLU 390 2.45 9 0.22 0.80 * ++ +++++ + VdW HB3 PHE 92 - C LEU 389 2.50 6 0.14 0.70 * ++ +++ VdW CG PHE 92 - HB3 PHE 392 2.60 7 0.23 0.88 ++ +++ +* VdW CD1 PHE 92 - C PHE 92 3.10 6 0.17 0.68 + * + ++ + VdW CD1 PHE 92 - HB3 PHE 392 2.60 7 0.16 0.65 ++ * +++ + VdW CD1 PHE 92 - N LEU 393 3.05 6 0.24 0.99 + + ++ + * VdW CD1 PHE 92 - H LEU 393 2.55 6 0.25 1.24 + + +* + + VdW CD1 PHE 92 - HB2 LEU 393 2.60 6 0.19 1.07 + + *+ + + VdW HD1 PHE 92 - C PHE 92 2.50 6 0.19 0.85 + + * ++ + VdW HD1 PHE 92 - HB2 LEU 393 2.00 6 0.18 1.24 + + *+ + + VdW CE1 PHE 92 - HB3 PHE 392 2.60 6 0.13 0.62 *+ + + + + VdW CE1 PHE 92 - N LEU 393 3.05 6 0.20 0.84 + + *+ + + VdW CE1 PHE 92 - CA LEU 393 3.20 6 0.11 0.63 + + *+ + + VdW CE1 PHE 92 - CB LEU 393 3.20 6 0.12 0.63 + + *+ + + VdW CZ PHE 92 - HA GLU 113 2.60 6 0.15 0.69 *+ ++ ++ VdW CZ PHE 92 - CD1 PHE 392 3.20 7 0.22 0.93 ++ + + * ++ VdW CZ PHE 92 - HD1 PHE 392 2.60 7 0.31 1.06 ++ * + + ++ VdW HZ PHE 92 - CD1 PHE 392 2.60 6 0.09 0.41 ++ * + + + VdW CE2 PHE 92 - HB3 PHE 392 2.60 6 0.21 1.20 ++ * ++ + VdW CD2 PHE 92 - HB3 PHE 392 2.60 9 0.25 1.03 + +* ++++ ++ VdW C PHE 92 - N GLY 94 2.95 17 0.38 0.64 ++++* ++++++++++ ++ VdW C PHE 92 - H GLY 94 2.45 18 0.61 0.94 +++++ ++*++++++++++ VdW C PHE 92 - HB2 LEU 393 2.50 8 0.15 0.67 ++ + ++ ++ * VdW O PHE 92 - C LEU 93 2.80 6 0.14 0.42 * + + ++ + VdW O PHE 92 - N GLY 94 2.75 17 0.65 1.23 +++++ *+++++++++ ++ VdW O PHE 92 - H GLY 94 1.80 15 0.41 1.26 +++ + *+++++++ + ++ VdW O PHE 92 - N ALA 95 2.75 10 0.18 0.50 + ++ + + +*++ + VdW O PHE 92 - CB LEU 393 2.90 8 0.15 0.51 ++ ++ *+ + + VdW O PHE 92 - HB2 LEU 393 2.30 6 0.13 0.57 ++ + * + + VdW CD1 LEU 93 - CB ALA 115 3.20 8 0.17 0.70 * + + ++++ + VdW CD2 LEU 93 - CB ALA 415 3.20 6 0.15 0.93 ++ + +* + VdW O LEU 93 - NE2 GLN 101 2.75 9 0.25 0.99 ++ ++ ++*+ + VdW O LEU 93 - CG LEU 396 2.90 6 0.25 1.18 *+ ++ + + VdW CA GLY 94 - CB ALA 395 3.20 7 0.13 0.50 + ++ ++ * + VdW HA2 GLY 94 - CG GLN 101 2.60 6 0.14 0.58 ++ +* + + VdW HA3 GLY 94 - CB ALA 395 2.60 6 0.19 0.84 + ++ ++ * VdW CB ALA 95 - O GLN 391 2.90 8 0.18 0.83 + ++ ++++ * VdW CB ALA 95 - CA GLY 394 3.20 10 0.18 0.51 ++ ++ ++++ +* VdW CB ALA 95 - HA3 GLY 394 2.60 11 0.25 0.88 ++ + + +++++ +* VdW O ALA 95 - HB2 TYR 352 2.30 6 0.14 0.56 ++ + * ++ VdW HA LEU 96 - CD PRO 97 2.60 7 0.10 0.29 ++ + +* + + VdW HA LEU 96 - CB TYR 352 2.60 10 0.21 0.56 ++ * ++ ++++ + VdW HA LEU 96 - CG TYR 352 2.60 7 0.13 0.60 + * + +++ + VdW CB LEU 96 - CD PRO 97 3.20 9 0.16 0.42 ++ * ++ + ++ + VdW CB LEU 96 - HD2 PRO 97 2.60 11 0.21 0.52 ++ * ++ +++++ + VdW HB3 LEU 96 - HD2 PRO 97 2.00 7 0.12 0.55 + + ++ + + * VdW CG LEU 96 - O LEU 393 2.90 7 0.32 1.08 + ++ * + ++ VdW HG LEU 96 - O LEU 393 2.30 7 0.38 1.30 + ++ + * ++ VdW CD1 LEU 96 - O LEU 393 2.90 6 0.15 0.90 + + + * + + VdW CD2 LEU 96 - HB3 PRO 358 2.60 6 0.12 0.58 + ++ + *+ VdW CD2 LEU 96 - O LEU 393 2.90 8 0.20 0.77 + +* +++ + + VdW CD PRO 97 - CE2 TYR 352 3.20 7 0.11 0.38 ++ + * ++ + VdW CD PRO 97 - CD2 TYR 352 3.20 6 0.12 0.29 + + *+ + + VdW HG2 PRO 97 - HG12 ILE 100 2.00 6 0.11 0.44 + * ++ ++ VdW HG3 PRO 97 - CZ TYR 352 2.60 6 0.12 0.43 +* + + + + VdW HD3 PRO 97 - CG TYR 352 2.60 8 0.12 0.41 ++ ++++ +* VdW HD3 PRO 97 - CD1 TYR 352 2.60 6 0.15 0.71 + + + * ++ VdW HD3 PRO 97 - CD2 TYR 352 2.60 13 0.31 0.60 ++* + ++++++ +++ VdW O PRO 97 - CB GLN 101 2.90 11 0.23 0.54 ++ + ++ * ++++ + VdW O PRO 97 - HB2 GLN 101 2.30 11 0.23 0.61 + ++ + + *++ ++ + VdW O ILE 100 - C GLN 101 2.80 6 0.11 0.41 ++ ++ + * VdW O ILE 100 - CG1 VAL 104 2.90 9 0.17 0.56 ++ +++ ++ +* VdW O ILE 100 - HG11 VAL 104 2.30 6 0.11 0.40 ++ * + + + VdW O ILE 100 - HG12 VAL 104 2.30 7 0.15 0.73 + + + + + *+ VdW HA GLN 101 - CG1 VAL 104 2.60 7 0.13 0.53 + + *+++ + VdW O GLN 101 - CG1 VAL 104 2.90 10 0.23 0.66 ++ + + *+++ ++ VdW H VAL 104 - CG1 VAL 104 2.55 7 0.17 0.38 +++ + + * + VdW HB VAL 104 - N VAL 119 2.45 7 0.18 0.58 ++++ +*+ VdW HB VAL 104 - HA VAL 119 2.00 6 0.12 0.47 * + + ++ + VdW CG2 VAL 104 - C VAL 104 2.90 9 0.18 0.31 +++ + * + +++ VdW CG2 VAL 104 - HB2 LEU 118 2.60 10 0.23 0.52 +++ + +*++ ++ VdW HG21 VAL 104 - C VAL 104 2.50 6 0.10 0.38 + + + ++ * VdW C VAL 104 - H GLY 106 2.45 7 0.17 0.50 ++ +* + + + VdW C GLN 105 - H GLN 107 2.45 7 0.16 0.46 + ++ ++ * + VdW CB GLN 107 - H ARG 108 2.55 8 0.14 0.40 + ++ +*++ + VdW CB PRO 109 - H GLY 110 2.55 19 0.32 0.38 +*+++++++++++++++++ VdW CB PRO 109 - CB GLU 114 3.20 7 0.20 0.71 + + ++ ++ * VdW CB PRO 109 - HB2 GLU 114 2.60 7 0.23 0.99 + ++ +++ * VdW CB PRO 109 - CG GLU 114 3.20 6 0.13 0.48 + + + ++* VdW HB2 PRO 109 - N GLY 110 2.45 16 0.25 0.31 +++*+++++++++ +++ VdW HB2 PRO 109 - H GLY 110 1.95 18 0.43 0.57 +++*+++++++++ +++++ VdW HB2 PRO 109 - CB GLU 114 2.60 6 0.18 0.97 + + + ++ * VdW HB2 PRO 109 - CG GLU 114 2.60 9 0.21 0.73 + ++ + +++ +* VdW HB2 PRO 109 - CD GLU 114 2.50 6 0.18 0.77 + + + * ++ VdW CG PRO 109 - CB GLU 114 3.20 6 0.19 0.73 ++ ++ + * VdW CG PRO 109 - CD GLU 114 3.10 6 0.13 0.72 + * ++ + + VdW CG PRO 109 - OE2 GLU 114 2.90 6 0.11 0.53 ++ + + * + VdW CB SER 111 - CD PRO 112 3.20 11 0.29 0.91 ++ +++ + *+ ++ + VdW CB SER 111 - HD2 PRO 112 2.60 12 0.33 0.74 ++ ++* + + ++ ++ + VdW CB SER 111 - N SER 411 3.05 6 0.17 0.66 +* + + + + VdW CB SER 111 - CA SER 411 3.20 8 0.15 0.53 ++ + + + *+ + VdW HB3 SER 111 - HD2 PRO 112 2.00 7 0.15 0.73 + + + * ++ + VdW HB3 SER 111 - CA SER 411 2.60 7 0.14 0.55 + + + + *+ + VdW OG SER 111 - HD2 PRO 112 2.30 7 0.13 0.59 * + ++++ + VdW OG SER 111 - HA SER 411 2.30 6 0.10 0.40 *+ + + + + VdW C SER 111 - H GLU 113 2.45 7 0.12 0.38 + +++ + + * VdW O SER 111 - CD GLU 114 2.80 7 0.17 0.79 + + ++ *+ + VdW HA PRO 112 - CD1 LEU 389 2.60 6 0.14 0.71 + * + + + + VdW CB PRO 112 - CA LEU 389 3.20 6 0.13 0.60 * + + ++ + VdW HB3 PRO 112 - N LEU 389 2.45 6 0.16 0.79 * + +++ + VdW HB3 PRO 112 - CA LEU 389 2.60 7 0.24 0.97 + + ++ *+ + VdW HB3 PRO 112 - CB LEU 389 2.60 6 0.23 1.03 + + + + *+ VdW CG PRO 112 - CA PRO 412 3.20 10 0.25 0.76 + + ++++ ++ * + VdW CG PRO 112 - HA PRO 412 2.60 6 0.18 0.95 + +++ * + VdW CG PRO 112 - CB PRO 412 3.20 6 0.12 0.51 + + + + +* VdW HG2 PRO 112 - N PRO 412 2.45 6 0.24 1.05 + + * + ++ VdW HG2 PRO 112 - CA PRO 412 2.60 9 0.32 0.97 + + + ++ ++ * + VdW HG2 PRO 112 - HA PRO 412 2.00 7 0.21 1.13 + + + ++ * + VdW HG2 PRO 112 - CB PRO 412 2.60 6 0.11 0.64 + + + *+ + VdW CB GLU 113 - O SER 411 2.90 8 0.29 1.06 ++ + + + ++ * VdW HB2 GLU 113 - O SER 411 2.30 8 0.27 1.10 ++ + + ++ * + VdW HB3 GLU 113 - N ALA 415 2.45 7 0.19 0.83 + * + ++ + + VdW C GLU 113 - H ALA 415 2.45 6 0.13 0.74 + + +*+ + VdW C GLU 113 - CB ALA 415 3.10 6 0.13 0.57 + ++* ++ VdW O GLU 113 - C GLU 114 2.80 8 0.14 0.47 + *+++ + + + VdW O GLU 113 - CB ALA 415 2.90 7 0.23 0.91 ++ + + * ++ VdW HA GLU 114 - CG PRO 409 2.60 8 0.17 0.72 + + + +++ *+ VdW CG GLU 114 - N ALA 115 3.05 6 0.15 0.67 * + + ++ + VdW O GLU 114 - C ALA 115 2.80 7 0.12 0.30 + + + *+ + + VdW CB ALA 115 - CD2 LEU 393 3.20 9 0.17 0.60 ++ +* ++ + ++ VdW CB ALA 115 - CB ALA 416 3.20 8 0.24 0.78 *+ ++ ++ + + VdW HB2 ALA 115 - CB ALA 416 2.60 6 0.17 0.70 + ++ + + * VdW HB3 ALA 115 - CD2 LEU 393 2.60 6 0.12 0.71 *+ + ++ + VdW C ALA 115 - N ALA 117 2.95 8 0.17 0.53 ++ + ++ + +* VdW C ALA 115 - H ALA 117 2.45 8 0.19 0.77 ++ + ++ + +* VdW O ALA 115 - C ALA 116 2.80 7 0.16 0.48 + + +* + ++ VdW O ALA 115 - N ALA 117 2.75 9 0.25 0.86 ++ ++ ++ + +* VdW O ALA 115 - N LEU 118 2.75 12 0.28 0.73 + + + + * ++++ +++ VdW O ALA 115 - H LEU 118 1.80 6 0.12 0.50 + * + + + + VdW O ALA 115 - CG1 VAL 119 2.90 9 0.16 0.55 ++ + *++ + ++ VdW H ALA 116 - CD2 LEU 393 2.55 7 0.18 0.78 +* + ++ + + VdW CA ALA 116 - CD1 LEU 393 3.20 8 0.15 0.65 +* ++ ++ + + VdW HA ALA 116 - CD1 LEU 393 2.60 7 0.18 0.78 +* ++ + + + VdW CB ALA 116 - CG GLN 359 3.20 6 0.14 0.72 + + *+ + + VdW CB ALA 116 - HG3 GLN 359 2.60 7 0.27 0.88 ++ + ++ + * VdW CB ALA 116 - NE2 GLN 359 3.05 7 0.17 0.63 + + ++ ++ * VdW CB ALA 116 - CB ALA 415 3.20 9 0.27 0.82 ++ + ++++ +* VdW CB ALA 116 - HB2 ALA 415 2.60 6 0.13 0.56 ++ ++ +* VdW CB ALA 116 - HB3 ALA 415 2.60 6 0.10 0.44 + + +++ * VdW O ALA 116 - NE2 GLN 405 2.75 9 0.18 0.74 + + + + +++ *+ VdW CA ALA 117 - HA GLN 405 2.60 8 0.20 0.64 ++ + + ++ *+ VdW HA ALA 117 - HA GLN 405 2.00 8 0.21 0.96 + + + +++ +* VdW N VAL 119 - CG1 VAL 119 2.85 10 0.16 0.24 ++ +* ++ ++++ VdW H VAL 119 - CG1 VAL 119 2.55 14 0.28 0.45 ++ *+ ++ ++++ ++++ VdW CG2 VAL 119 - C VAL 119 2.90 14 0.23 0.33 ++ +* ++ ++++ ++++ VdW HA ARG 344 - HB3 PHE 347 2.00 6 0.14 0.51 +++ +* + VdW HA ARG 344 - CB LEU 368 2.60 6 0.15 0.79 + + ++ +* VdW HD2 ARG 344 - HH12 ARG 344 1.95 6 0.09 0.30 + *++ + + VdW O ARG 344 - N PHE 347 2.75 9 0.20 0.67 + + ++ ++*+ + VdW O ARG 344 - HB3 PHE 347 2.30 8 0.18 0.63 + *+ + + ++ + VdW HB2 PHE 347 - CD2 LEU 368 2.60 6 0.12 0.44 + + + * + + VdW CG PHE 347 - C PHE 347 2.90 14 0.20 0.25 + +++++ +*+ +++ ++ VdW CD1 PHE 347 - C PHE 347 3.10 10 0.29 0.75 + ++ + +++ *+ + VdW CD1 PHE 347 - N ARG 348 3.05 11 0.21 0.58 * ++ + +++ ++++ VdW HD1 PHE 347 - C PHE 347 2.50 6 0.17 0.73 + + + +* + VdW HD1 PHE 347 - N ARG 348 2.45 11 0.30 0.93 + ++ + +++ +*++ VdW CZ PHE 347 - CG GLU 390 3.20 8 0.20 0.84 + + ++ +++* VdW HZ PHE 347 - CG GLU 390 2.60 6 0.19 1.11 + +++* + VdW CE2 PHE 347 - HA LEU 365 2.60 6 0.14 0.72 + + +* ++ VdW HE2 PHE 347 - CA LEU 365 2.60 6 0.15 0.82 + + +* ++ VdW CD2 PHE 347 - C PHE 347 3.10 6 0.18 0.69 + + ++* + VdW CD2 PHE 347 - N ARG 348 3.05 6 0.13 0.54 + + *+ ++ VdW HD2 PHE 347 - N ARG 348 2.45 7 0.14 0.81 + + ++ +* + VdW C PHE 347 - H CYS 349 2.45 15 0.30 0.54 + *+ ++++++ ++++++ VdW CB PHE 350 - NE2 GLN 391 3.05 7 0.12 0.43 + + *+++ + VdW HB2 PHE 350 - HE22 GLN 391 1.95 6 0.10 0.45 + + *++ + VdW CE1 PHE 350 - CB ALA 361 3.20 7 0.15 0.50 *+ + + + + + VdW CZ PHE 350 - CB ALA 361 3.20 7 0.13 0.54 + *++++ + VdW CZ PHE 350 - CB ALA 395 3.20 7 0.16 0.59 ++ + *+++ VdW HZ PHE 350 - CB ALA 395 2.60 11 0.23 0.61 ++ * ++ ++++ ++ VdW CE2 PHE 350 - CB ALA 361 3.20 6 0.11 0.52 + * +++ + VdW CD1 TYR 352 - C TYR 352 3.10 8 0.15 0.46 ++ + + * +++ VdW HD1 TYR 352 - HA2 GLY 394 2.00 6 0.13 0.50 ++ +* ++ VdW CE1 TYR 352 - HA2 GLY 357 2.60 6 0.15 0.66 * + ++ + + VdW HE1 TYR 352 - HD3 PRO 358 2.00 7 0.15 0.62 * + + + + ++ VdW HE2 TYR 352 - HD3 PRO 358 2.00 7 0.16 0.70 ++ +* + + + VdW CD2 TYR 352 - C TYR 352 3.10 8 0.14 0.39 * ++ ++ + ++ VdW HB2 GLU 353 - OG1 THR 356 2.30 6 0.11 0.44 + + * + + + VdW O GLU 353 - N GLY 357 2.75 7 0.14 0.48 + *+ ++ + + VdW CG2 THR 356 - C THR 356 2.90 6 0.09 0.32 * + ++ + + VdW C THR 356 - N LEU 396 2.95 8 0.17 0.71 ++ + + +++ * VdW C THR 356 - H LEU 396 2.45 9 0.29 1.11 ++ + ++ +++ * VdW O THR 356 - N LEU 396 2.75 9 0.33 1.16 ++ + ++ +++ * VdW O THR 356 - CA LEU 396 2.90 9 0.26 1.00 ++ + ++ +++ * VdW O THR 356 - C LEU 396 2.80 8 0.28 1.08 ++ + + +++ * VdW CA GLY 357 - N LEU 396 3.05 9 0.32 0.89 +* + ++ +++ + VdW CA GLY 357 - H LEU 396 2.55 9 0.37 1.21 ++ + ++ +*+ + VdW CA GLY 357 - C LEU 396 3.10 9 0.21 0.56 ++ + + +++* + VdW CA GLY 357 - O LEU 396 2.90 12 0.56 1.46 ++ + ++ +++++ *+ VdW HA3 GLY 357 - N LEU 396 2.45 9 0.19 0.74 +* + ++ +++ + VdW HA3 GLY 357 - CA LEU 396 2.60 9 0.23 0.80 +* + ++ +++ + VdW HA3 GLY 357 - C LEU 396 2.50 12 0.41 0.96 ++ + ++ +*+++ ++ VdW HA3 GLY 357 - O LEU 396 2.30 12 0.66 1.68 ++ + ++ ++++* ++ VdW C GLY 357 - N ALA 395 2.95 8 0.17 0.57 ++ +* ++ + + VdW C GLY 357 - CA ALA 395 3.10 9 0.22 0.62 ++ *+ +++ + + VdW C GLY 357 - C ALA 395 3.00 11 0.30 0.92 ++ *+ +++++ ++ VdW C GLY 357 - N LEU 396 2.95 11 0.37 1.08 *+ + ++ +++++ + VdW C GLY 357 - H LEU 396 2.45 6 0.23 1.08 *+ + + ++ VdW O GLY 357 - C GLY 394 2.80 12 0.54 1.17 ++ + ++ *++++ ++ VdW O GLY 357 - O GLY 394 2.60 11 0.34 0.95 ++ * ++ ++++ ++ VdW O GLY 357 - N ALA 395 2.75 12 0.59 1.21 ++ + ++ *++++ ++ VdW O GLY 357 - CA ALA 395 2.90 12 0.63 1.54 ++ + *+ +++++ ++ VdW O GLY 357 - HA ALA 395 2.30 10 0.36 1.00 *+ + ++ +++ + + VdW O GLY 357 - C ALA 395 2.80 11 0.31 1.09 ++ *+ +++++ ++ VdW CD PRO 358 - CB LEU 396 3.20 10 0.20 0.81 +* ++ +++++ + VdW CD PRO 358 - HB3 LEU 396 2.60 10 0.34 0.83 * + ++ +++++ + VdW CD PRO 358 - NE2 GLN 401 3.05 12 0.30 0.66 ++ + ++ *++++ ++ VdW CD PRO 358 - HE21 GLN 401 2.55 11 0.31 0.72 ++ +* +++++ ++ VdW CA PRO 358 - C LEU 393 3.10 12 0.39 1.00 ++ * ++ +++++ ++ VdW CA PRO 358 - N GLY 394 3.05 12 0.31 0.70 ++ + ++ +*+++ ++ VdW CA PRO 358 - N ALA 395 3.05 8 0.21 0.86 ++ +* ++ ++ VdW CA PRO 358 - H ALA 395 2.55 6 0.15 1.04 + * ++ ++ VdW HA PRO 358 - C LEU 393 2.50 12 0.43 0.94 ++ + ++ *++++ ++ VdW HA PRO 358 - O LEU 393 2.30 6 0.18 1.12 + * +++ + VdW HA PRO 358 - N GLY 394 2.45 12 0.45 1.04 *+ + ++ +++++ ++ VdW HA PRO 358 - CA GLY 394 2.60 11 0.30 0.84 ++ + ++ +* ++ ++ VdW CB PRO 358 - H GLN 359 2.55 11 0.19 0.36 ++ ++ ++ ++ ++* VdW CB PRO 358 - CA LEU 393 3.20 12 0.30 0.72 ++ + *+ +++++ ++ VdW CB PRO 358 - HA LEU 393 2.60 11 0.35 0.88 ++ *+ +++++ ++ VdW CB PRO 358 - CD1 LEU 393 3.20 7 0.16 0.66 ++ ++ + * + VdW CB PRO 358 - C LEU 393 3.10 12 0.29 0.70 ++ * ++ +++++ ++ VdW HB2 PRO 358 - CA LEU 393 2.60 12 0.26 0.64 ++ * ++ +++++ ++ VdW HB2 PRO 358 - HA LEU 393 2.00 12 0.45 0.88 ++ + ++ ++*++ ++ VdW HB3 PRO 358 - O LEU 393 2.30 8 0.18 0.72 ++ * ++ ++ + VdW CG PRO 358 - NE2 GLN 359 3.05 17 0.35 0.66 +++ *++++ ++++++++ + VdW CG PRO 358 - HE22 GLN 359 2.55 12 0.26 0.56 +++ * +++ ++++ + VdW CG PRO 358 - HB3 LEU 396 2.60 8 0.20 0.82 + + + +++* + VdW CG PRO 358 - NE2 GLN 401 3.05 7 0.16 0.62 + + ++ ++ * VdW HG2 PRO 358 - H GLN 359 1.95 11 0.18 0.29 + ++ + *++++ + + VdW HG2 PRO 358 - CD GLN 359 2.50 6 0.12 0.50 *+ + ++ + VdW HG2 PRO 358 - NE2 GLN 359 2.45 20 0.60 0.97 ++++*+++++++++++++++ VdW HG2 PRO 358 - HE21 GLN 359 1.95 11 0.25 0.76 ++ + + ++*+++ + VdW HG2 PRO 358 - HE22 GLN 359 1.95 11 0.25 0.55 +++ + *++++ ++ VdW HG2 PRO 358 - HB3 LEU 396 2.00 6 0.14 0.82 + + + + +* VdW HG3 PRO 358 - NE2 GLN 401 2.45 7 0.17 0.69 + + ++ ++ * VdW HD2 PRO 358 - CB LEU 396 2.60 9 0.25 1.13 +* + ++ +++ + VdW HD2 PRO 358 - HB3 LEU 396 2.00 10 0.30 0.98 ++ + ++ *+++ + VdW HD3 PRO 358 - NE2 GLN 401 2.45 12 0.38 1.03 ++ + ++ +++++ +* VdW HD3 PRO 358 - HE21 GLN 401 1.95 10 0.33 0.83 + +* +++++ ++ VdW C PRO 358 - O PHE 392 2.80 11 0.40 0.97 ++ + ++ +*+++ + VdW C PRO 358 - N ALA 395 2.95 11 0.32 0.98 ++ + * +++++ ++ VdW C PRO 358 - H ALA 395 2.45 11 0.43 1.37 ++ + * +++++ ++ VdW C PRO 358 - C ALA 395 3.00 6 0.11 0.49 * + ++ ++ VdW O PRO 358 - C GLN 359 2.80 17 0.35 0.47 +*+ ++++++++ ++++++ VdW O PRO 358 - O GLN 359 2.60 10 0.25 0.64 + + + +++++ *+ VdW O PRO 358 - N GLU 360 2.75 8 0.21 0.67 +* ++ ++ + + VdW O PRO 358 - O PHE 392 2.60 8 0.28 1.15 + + + ++*++ VdW O PRO 358 - N GLY 394 2.75 6 0.14 0.78 * + +++ + VdW O PRO 358 - N ALA 395 2.75 12 0.59 1.53 ++ * ++ +++++ ++ VdW O PRO 358 - H ALA 395 1.80 11 0.47 1.03 ++ + + ++*++ ++ VdW O PRO 358 - CA ALA 395 2.90 10 0.24 0.81 * + ++ ++++ ++ VdW N GLN 359 - CD GLN 359 2.95 6 0.14 0.34 + + ++ + * VdW N GLN 359 - NE2 GLN 359 2.90 12 0.34 0.85 ++++ ++ * ++ ++ + VdW N GLN 359 - O PHE 392 2.75 8 0.32 0.94 ++ + +* ++ + VdW N GLN 359 - O ALA 395 2.75 6 0.14 0.75 + ++ *++ VdW H GLN 359 - CD GLN 359 2.45 11 0.23 0.58 *+ + ++ ++ ++ + + VdW H GLN 359 - NE2 GLN 359 1.80 6 0.12 0.40 +* + ++ + VdW H GLN 359 - HE21 GLN 359 1.90 12 0.43 1.03 +++ *+ ++ ++ ++ + VdW CA GLN 359 - CE2 PHE 392 3.20 6 0.15 0.68 ++ + + +* VdW CA GLN 359 - O PHE 392 2.90 8 0.29 0.91 +* + ++ ++ + VdW HA GLN 359 - CG PHE 392 2.60 8 0.15 0.40 * ++ ++ + ++ VdW HA GLN 359 - CD1 PHE 392 2.60 6 0.17 0.69 + + + + * + VdW HA GLN 359 - CD2 PHE 392 2.60 7 0.18 0.89 ++ + + * ++ VdW HA GLN 359 - O PHE 392 2.30 6 0.18 0.84 * ++ ++ + VdW CB GLN 359 - H GLU 360 2.55 11 0.20 0.40 ++ + + *++++ ++ VdW CB GLN 359 - CZ PHE 392 3.20 10 0.23 0.75 ++ ++ +++ + +* VdW CB GLN 359 - CE2 PHE 392 3.20 6 0.14 0.59 * + + + ++ VdW CB GLN 359 - HB2 LEU 396 2.60 6 0.18 0.90 + + + +* + VdW HB2 GLN 359 - CB LEU 396 2.60 6 0.13 0.68 + + + *+ + VdW HB2 GLN 359 - HB2 LEU 396 2.00 7 0.24 0.83 + + +++* + VdW CG GLN 359 - CE1 PHE 392 3.20 9 0.19 0.68 ++ + + ++ + *+ VdW CG GLN 359 - CZ PHE 392 3.20 12 0.42 0.89 ++ + ++ +++++ *+ VdW CG GLN 359 - CE2 PHE 392 3.20 6 0.12 0.78 + + * ++ + VdW HG3 GLN 359 - CE1 PHE 392 2.60 7 0.22 1.05 ++ + + + *+ VdW HG3 GLN 359 - CZ PHE 392 2.60 12 0.49 1.08 ++ + +* +++++ ++ VdW HG3 GLN 359 - HZ PHE 392 2.00 7 0.21 0.86 ++ * +++ + VdW C GLN 359 - N ALA 361 2.95 20 0.53 0.67 ++++++++++++++++*+++ VdW C GLN 359 - H ALA 361 2.45 19 0.69 0.95 ++*++++++++ ++++++++ VdW C GLN 359 - O ALA 395 2.80 8 0.31 1.02 ++ + +* +++ VdW O GLN 359 - C GLU 360 2.80 19 0.37 0.48 +++++++++ +++++*++++ VdW O GLN 359 - N ALA 361 2.75 20 0.96 1.29 +++++++++++++++*++++ VdW O GLN 359 - H ALA 361 1.80 12 0.43 1.15 *+ + ++ +++++ ++ VdW O GLN 359 - CA ALA 361 2.90 10 0.20 0.50 ++ + + + +*+ ++ VdW O GLN 359 - CB ALA 361 2.90 9 0.15 0.34 + + + + ++* ++ VdW O GLN 359 - N LEU 362 2.75 7 0.15 0.53 ++ + ++ * + VdW O GLN 359 - CB ALA 395 2.90 6 0.14 0.66 + + +* + + VdW N GLU 360 - O ALA 395 2.75 9 0.34 1.02 ++ + +* +++ + VdW CA GLU 360 - CB ALA 395 3.20 6 0.14 0.47 * ++ + ++ VdW CB GLU 360 - CB ALA 395 3.20 12 0.26 0.69 +* + ++ +++++ ++ VdW CB GLU 360 - HB2 ALA 395 2.60 6 0.22 0.98 * + + ++ + VdW HB3 GLU 360 - CB ALA 395 2.60 8 0.18 0.65 + + + ++++ * VdW HB3 GLU 360 - C ALA 395 2.50 9 0.29 0.80 + + + + +++ +* VdW CG GLU 360 - O GLU 360 2.90 12 0.27 0.56 ++ + ++ *++++ ++ VdW CG GLU 360 - CB ALA 395 3.20 9 0.18 0.56 + + + * +++ ++ VdW HG2 GLU 360 - O GLU 360 2.30 10 0.26 0.72 + + *+ + +++ ++ VdW HG2 GLU 360 - CB ALA 395 2.60 10 0.20 0.67 + + ++ * +++ ++ VdW C GLU 360 - CB ALA 395 3.10 11 0.37 0.87 ++ + *+ +++++ + VdW C GLU 360 - HB2 ALA 395 2.50 7 0.23 0.86 ++ + + ++ * VdW O GLU 360 - CB ALA 395 2.90 9 0.20 0.72 ++ + *+ +++ + VdW N ALA 361 - CB ALA 395 3.05 6 0.12 0.43 + ++ +* + VdW CB ALA 361 - C GLN 391 3.10 6 0.16 0.70 + + + * + + VdW CB ALA 361 - O GLN 391 2.90 11 0.31 0.76 ++ + ++ ++++* + VdW CB ALA 361 - CA PHE 392 3.20 9 0.19 0.55 ++ ++ ++ + +* VdW CB ALA 361 - HA PHE 392 2.60 10 0.27 0.81 ++ ++ *+ ++ ++ VdW HB1 ALA 361 - CA PHE 392 2.60 6 0.10 0.52 ++ + ++ * VdW C ALA 361 - N ALA 363 2.95 12 0.28 0.63 ++ + ++ *++++ ++ VdW C ALA 361 - H ALA 363 2.45 12 0.46 0.97 ++ + *+ +++++ ++ VdW C ALA 361 - CD2 LEU 365 3.10 7 0.15 0.65 *+ + +++ + VdW O ALA 361 - C LEU 362 2.80 8 0.16 0.33 ++ + + +* ++ VdW O ALA 361 - N ALA 363 2.75 12 0.44 1.23 ++ + ++ *++++ ++ VdW O ALA 361 - H ALA 363 1.80 10 0.28 1.24 + + ++ *++++ + VdW O ALA 361 - N GLN 364 2.75 11 0.23 0.51 ++ + ++++ ++*+ VdW O ALA 361 - CD2 LEU 365 2.90 9 0.19 0.55 + ++ ++ *++ + VdW N LEU 362 - HA PHE 392 2.45 6 0.17 0.90 ++ * + + + VdW N LEU 362 - HD2 PHE 392 2.45 7 0.20 1.08 ++ + + + +* VdW H LEU 362 - CA PHE 392 2.55 8 0.15 0.59 ++ * + ++ + + VdW H LEU 362 - HA PHE 392 1.95 8 0.21 0.99 ++ * + ++ + + VdW H LEU 362 - CD2 PHE 392 2.55 7 0.20 0.99 ++ + + + +* VdW H LEU 362 - HD2 PHE 392 1.95 7 0.29 1.25 ++ * + + ++ VdW HA LEU 362 - CD1 LEU 365 2.60 7 0.16 0.76 ++ *+ + + + VdW HA LEU 362 - CD2 LEU 365 2.60 6 0.15 0.76 + ++ + * + VdW CB LEU 362 - CB PHE 392 3.20 7 0.14 0.52 ++ * ++ + + VdW CB LEU 362 - HB2 PHE 392 2.60 8 0.22 0.86 *+ + + ++ + + VdW CB LEU 362 - CG PHE 392 3.20 6 0.14 0.54 * + + + + + VdW CB LEU 362 - CD2 PHE 392 3.20 7 0.15 0.68 ++ * + + ++ VdW HB2 LEU 362 - CG PHE 392 2.60 7 0.23 0.92 +* + + + + + VdW CG LEU 362 - CB PHE 392 3.20 11 0.28 1.04 ++ + ++ +*+++ + VdW CG LEU 362 - HB2 PHE 392 2.60 10 0.35 1.25 ++ + ++ +*+ + + VdW CG LEU 362 - CG PHE 392 3.20 7 0.27 1.10 ++ ++*+ + VdW CD1 LEU 362 - CB PHE 392 3.20 7 0.35 1.25 ++ + + * + + VdW CD1 LEU 362 - HB2 PHE 392 2.60 7 0.39 1.29 ++ * + + + + VdW CD2 LEU 362 - CB PHE 392 3.20 7 0.22 1.06 + + *++ ++ VdW CD2 LEU 362 - HB2 PHE 392 2.60 7 0.23 1.32 + + + *++ + VdW CD2 LEU 362 - CG PHE 392 3.20 8 0.18 0.61 + + + +*+ ++ VdW N GLN 364 - HG2 GLN 364 2.45 6 0.12 0.31 * + +++ + VdW H GLN 364 - CG GLN 364 2.55 6 0.12 0.41 * + +++ + VdW H GLN 364 - HG2 GLN 364 1.95 9 0.16 0.49 * + + +++++ + VdW O GLN 364 - C LEU 365 2.80 8 0.14 0.47 + ++ *++ + + VdW O GLN 364 - HB3 GLU 367 2.30 6 0.15 0.86 + * + ++ + VdW CB LEU 365 - H ARG 366 2.55 8 0.13 0.37 + + + + +*+ + VdW CB LEU 365 - CB GLU 390 3.20 9 0.26 0.90 ++ + +* ++++ VdW CB LEU 365 - HB2 GLU 390 2.60 6 0.13 0.64 + +* +++ VdW CB LEU 365 - HB3 GLU 390 2.60 7 0.23 0.78 + ++ +*++ VdW HB3 LEU 365 - CB GLU 390 2.60 7 0.24 1.31 + + +* +++ VdW HB3 LEU 365 - HB3 GLU 390 2.00 6 0.24 1.15 + +* +++ VdW CD2 LEU 365 - CG GLN 391 3.20 6 0.12 0.49 + +* + + + VdW C LEU 365 - N GLU 367 2.95 14 0.27 0.56 ++ *++ ++ ++++ ++ + VdW C LEU 365 - H GLU 367 2.45 14 0.38 0.77 ++ *++ ++ ++ ++++ + VdW O LEU 365 - C ARG 366 2.80 8 0.14 0.45 + ++ + +*+ + VdW O LEU 365 - N GLU 367 2.75 17 0.52 1.00 ++ +++++* ++++++++ + VdW O LEU 365 - H GLU 367 1.80 7 0.19 0.58 + + ++ + * + VdW H ARG 366 - CG ARG 366 2.55 6 0.10 0.38 + *+ + ++ VdW CA ARG 366 - SG CYS 369 3.40 8 0.17 0.73 + ++++ + +* VdW HA ARG 366 - SG CYS 369 2.80 10 0.26 0.84 ++ ++++ + +* + VdW CB GLU 367 - H LEU 368 2.55 7 0.13 0.40 ++ + * + ++ VdW CG GLU 367 - C GLU 367 2.90 7 0.11 0.24 + + *+++ + VdW CG GLU 367 - N LEU 368 3.05 9 0.26 0.74 + + + +*+ + ++ VdW CG GLU 367 - H LEU 368 2.55 11 0.32 1.03 + +++ +++ + +*+ VdW CG GLU 367 - CD2 LEU 368 3.20 6 0.13 0.46 *++++ + VdW HG3 GLU 367 - C GLU 367 2.50 6 0.12 0.50 + ++ ++ * VdW HG3 GLU 367 - N LEU 368 2.45 8 0.23 0.90 + + *++ + ++ VdW HG3 GLU 367 - H LEU 368 1.95 7 0.22 1.18 + +++ * + + VdW HG3 GLU 367 - CD2 LEU 368 2.60 7 0.17 0.58 + ++++ * + VdW C GLU 367 - H CYS 369 2.45 6 0.17 0.69 + ++ + +* VdW O GLU 367 - HD2 ARG 370 2.30 6 0.18 0.87 + +*+ + + VdW H CYS 369 - SG CYS 369 2.75 6 0.16 0.56 ++ * + + + VdW CA CYS 369 - CE2 TRP 372 3.20 6 0.12 0.45 ++ * + + + VdW CA CYS 369 - CZ2 TRP 372 3.20 11 0.28 0.85 ++ ++ + + + +++ * VdW HA CYS 369 - CE2 TRP 372 2.60 7 0.18 0.64 ++ *++ + + VdW HA CYS 369 - NE1 TRP 372 2.45 6 0.12 0.61 +* + + + + VdW HA CYS 369 - CZ2 TRP 372 2.60 12 0.33 0.93 *+ +++ + + +++ ++ VdW HA CYS 369 - HZ2 TRP 372 2.00 7 0.13 0.62 *+ + + + + + VdW CB CYS 369 - CZ2 TRP 372 3.20 10 0.21 0.88 + * ++ +++++ + VdW SG CYS 369 - C CYS 369 3.10 7 0.10 0.30 + +++ + * + VdW C CYS 369 - N GLN 371 2.95 9 0.17 0.48 ++ + + + * ++ + VdW C CYS 369 - H GLN 371 2.45 6 0.16 0.79 * + + + + + VdW C CYS 369 - CE2 TRP 372 3.10 6 0.12 0.49 + + * + + + VdW C CYS 369 - CZ2 TRP 372 3.10 6 0.15 0.57 + * + + + + VdW O CYS 369 - C ARG 370 2.80 11 0.22 0.48 + *++ ++ ++ +++ VdW O CYS 369 - N GLN 371 2.75 12 0.34 0.80 ++ *++ ++ ++ ++ + VdW O CYS 369 - CD2 TRP 372 2.90 6 0.18 0.79 * + ++ + + VdW O CYS 369 - CE3 TRP 372 2.90 7 0.17 0.64 * + + ++ ++ VdW O CYS 369 - CE2 TRP 372 2.90 7 0.17 0.69 + + + * + + + VdW O CYS 369 - CZ2 TRP 372 2.90 6 0.14 0.84 +* + + + + VdW C ARG 370 - N TRP 372 2.95 15 0.27 0.56 +++ ++++ +++++ *++ VdW C ARG 370 - H TRP 372 2.45 16 0.47 0.74 +++ ++*+++++++ +++ VdW O ARG 370 - N TRP 372 2.75 14 0.38 1.06 +++ ++++ ++++ *++ VdW O ARG 370 - H TRP 372 1.80 6 0.16 0.82 + + +* + + VdW H TRP 372 - H LEU 373 1.90 6 0.12 0.44 + + ++ + * VdW CE3 TRP 372 - C TRP 372 3.10 15 0.38 1.09 + +++++++++ * ++++ VdW CE3 TRP 372 - O TRP 372 2.90 6 0.30 1.43 + *+ + ++ VdW CE3 TRP 372 - N LEU 373 3.05 8 0.21 0.74 + ++ * +++ + VdW CE3 TRP 372 - CB LEU 373 3.20 7 0.19 0.91 ++ + + + * + VdW HE3 TRP 372 - C TRP 372 2.50 17 0.51 1.21 ++ ++++++++++* ++++ VdW HE3 TRP 372 - O TRP 372 2.30 9 0.38 1.42 + + *+++ + ++ VdW HE3 TRP 372 - N LEU 373 2.45 10 0.34 1.14 + + * + +++ ++ + VdW CZ3 TRP 372 - CB LEU 373 3.20 8 0.26 1.20 ++ + + ++ * + VdW CZ3 TRP 372 - HB2 LEU 373 2.60 8 0.26 1.42 + + + + + +* + VdW CZ3 TRP 372 - HB3 LEU 373 2.60 6 0.22 0.98 ++ + * + + VdW HZ3 TRP 372 - CB LEU 373 2.60 7 0.16 0.87 ++ + + + * + VdW HZ3 TRP 372 - HB2 LEU 373 2.00 8 0.20 0.68 + + + + ++ + * VdW CH2 TRP 372 - CD1 LEU 387 3.20 6 0.14 0.75 + + + * + + VdW CB LEU 373 - H ARG 374 2.55 6 0.12 0.39 + + + * + + VdW O LEU 373 - CB ARG 374 2.90 6 0.15 0.60 ++ +* + + VdW HA ARG 374 - CD PRO 375 2.60 12 0.18 0.31 + +* + ++++ ++++ VdW C PRO 375 - N VAL 377 2.95 7 0.13 0.35 + + + + * + + VdW C PRO 375 - H VAL 377 2.45 10 0.21 0.60 +* + + + + + +++ VdW CG GLU 376 - C GLU 376 2.90 6 0.12 0.24 +* ++ + + VdW HG3 GLU 376 - C GLU 376 2.50 8 0.13 0.43 + + +*+ + + + VdW O VAL 377 - CG ARG 378 2.90 10 0.23 0.74 ++* ++++ ++ + VdW CB ARG 378 - H SER 379 2.55 14 0.25 0.40 ++ ++* +++++ ++++ VdW HB3 ARG 378 - H SER 379 1.95 7 0.13 0.47 ++ ++ + *+ VdW O LYS 380 - CG LEU 384 2.90 7 0.14 0.47 * + + +++ + VdW O LYS 380 - HG LEU 384 2.30 6 0.14 0.66 * + + + ++ VdW O LYS 380 - CD2 LEU 384 2.90 11 0.23 0.58 + + ++ +*+ +++ + VdW O GLU 381 - N GLU 385 2.75 6 0.12 0.34 + + *++ + VdW O GLU 381 - HB3 GLU 385 2.30 11 0.18 0.41 +++++ + + ++* + VdW C MET 383 - H GLU 385 2.45 8 0.15 0.47 + + * ++ + ++ VdW O MET 383 - CD1 LEU 386 2.90 8 0.15 0.48 *+ + + ++ + + VdW N LEU 384 - CD2 LEU 384 3.05 11 0.32 0.85 ++ + + ++* + ++ + VdW H LEU 384 - CG LEU 384 2.55 12 0.19 0.35 + + + + ++ +* + +++ VdW H LEU 384 - CD2 LEU 384 2.55 13 0.38 1.10 ++ + +++++* + ++ + VdW H LEU 384 - HD23 LEU 384 1.95 7 0.14 0.52 + * + + ++ + VdW CA LEU 384 - CD2 LEU 387 3.20 8 0.16 0.49 ++*+ + + + + VdW HA LEU 384 - CG LEU 387 2.60 7 0.15 0.58 +++ + * + + VdW HA LEU 384 - CD1 LEU 387 2.60 8 0.21 0.85 + ++ ++ * + + VdW HA LEU 384 - CD2 LEU 387 2.60 13 0.33 0.82 ++++* + + ++ ++ ++ VdW HA LEU 384 - HD21 LEU 387 2.00 6 0.13 0.59 + +*+ + + VdW HA LEU 384 - HD22 LEU 387 2.00 6 0.11 0.55 ++ + + +* VdW C LEU 384 - N LEU 386 2.95 6 0.12 0.46 + ++ +* + VdW O LEU 384 - N LEU 387 2.75 10 0.16 0.44 ++ ++++ +* + + VdW O LEU 384 - HB2 LEU 387 2.30 6 0.11 0.38 + + + * ++ VdW CD2 LEU 386 - C LEU 386 3.10 9 0.18 0.60 + + + + +++ *+ VdW CD2 LEU 386 - CD2 LEU 387 3.20 6 0.13 0.67 + + + + * + VdW C LEU 386 - N VAL 388 2.95 6 0.12 0.66 +++ + + * VdW CB VAL 388 - H LEU 389 2.55 8 0.16 0.42 +++ + + + *+ VdW CG2 VAL 388 - N LEU 389 3.05 6 0.13 0.70 + + + + *+ VdW CG2 VAL 388 - H LEU 389 2.55 6 0.17 0.90 + + + + *+ VdW C VAL 388 - N GLU 390 2.95 6 0.15 0.63 + *+ + + + VdW O VAL 388 - C LEU 389 2.80 6 0.16 0.48 + + +* + + VdW O VAL 388 - N GLU 390 2.75 11 0.41 1.16 + + *+ +++ +++ + VdW O VAL 388 - H GLU 390 1.80 6 0.16 0.70 + +* ++ + VdW CG LEU 389 - O LEU 389 2.90 6 0.15 0.71 + +* ++ + VdW HG3 GLN 391 - C GLN 391 2.50 7 0.13 0.49 + + ++ + + * VdW C PHE 392 - N GLY 394 2.95 8 0.17 0.56 ++ + *+ + + + VdW C PHE 392 - H GLY 394 2.45 9 0.29 0.90 + ++ + *+ + + + VdW O PHE 392 - N GLY 394 2.75 8 0.32 1.01 ++ + *+ + + + VdW O PHE 392 - H GLY 394 1.80 6 0.17 0.92 ++ *+ + + VdW HA LEU 393 - CD1 LEU 393 2.60 8 0.16 0.48 + + +* + + ++ VdW CD1 LEU 393 - CB ALA 415 3.20 7 0.18 0.90 ++ ++ ++ * VdW HA LEU 396 - CD PRO 397 2.60 11 0.17 0.31 *+ + + +++++ ++ VdW O PRO 397 - HB2 GLN 401 2.30 9 0.18 0.60 *+ + ++ ++ + + VdW HA PRO 398 - HB2 GLN 401 2.00 8 0.15 0.48 + + +* + ++ + VdW CG2 ILE 400 - CD1 ILE 400 3.00 7 0.13 0.32 + +++*+ + VdW O ILE 400 - C GLN 401 2.80 10 0.14 0.33 ++ + +++++ +* VdW O ILE 400 - CG1 VAL 404 2.90 10 0.20 0.47 * ++ ++ +++ ++ VdW O GLN 401 - HG11 VAL 404 2.30 6 0.16 0.63 ++*+ + + VdW O GLN 401 - CD GLN 405 2.80 6 0.13 0.54 + + ++ *+ VdW O GLN 401 - OE1 GLN 405 2.60 7 0.18 0.68 * + + + + ++ VdW N VAL 404 - CG1 VAL 404 2.85 8 0.16 0.24 +* + + ++ + + VdW H VAL 404 - CG1 VAL 404 2.55 15 0.25 0.42 + ++ +++ + +++++++* VdW HB VAL 404 - N VAL 419 2.45 8 0.20 0.52 + + ++* ++ + VdW CG2 VAL 404 - C VAL 404 2.90 13 0.23 0.33 +* + ++++++++++ VdW CG2 VAL 404 - CB LEU 418 3.20 8 0.15 0.51 + + ++ *+ ++ VdW CG2 VAL 404 - HB2 LEU 418 2.60 11 0.25 0.61 + +* +++++ ++ + VdW HG22 VAL 404 - C VAL 404 2.50 6 0.12 0.42 + ++ * + + VdW C VAL 404 - H GLY 406 2.45 6 0.17 0.57 + *+ + ++ VdW C GLN 405 - H GLN 407 2.45 6 0.14 0.43 ++ + *++ VdW HA ARG 408 - CD PRO 409 2.60 10 0.14 0.30 + ++ + + + ++ +* VdW CB PRO 409 - H GLY 410 2.55 19 0.31 0.38 + +++++++++++*++++++ VdW CB PRO 409 - CB GLU 414 3.20 14 0.38 0.88 ++++ ++ ++ *+++ ++ VdW CB PRO 409 - HB2 GLU 414 2.60 9 0.34 1.17 ++ * ++ ++ ++ VdW CB PRO 409 - HB3 GLU 414 2.60 6 0.25 1.23 + ++ *++ VdW HB2 PRO 409 - N GLY 410 2.45 15 0.26 0.32 + ++ ++ +++ ++*+ +++ VdW HB2 PRO 409 - H GLY 410 1.95 18 0.44 0.58 ++++ +++++++++*+ +++ VdW HB2 PRO 409 - CB GLU 414 2.60 13 0.36 1.06 +++*++++ ++ +++ VdW HB2 PRO 409 - HB2 GLU 414 2.00 7 0.24 0.92 ++ * ++ + + VdW HB2 PRO 409 - HB3 GLU 414 2.00 7 0.19 0.83 ++++ + *+ VdW HB2 PRO 409 - CG GLU 414 2.60 8 0.18 0.92 *+ + ++ ++ + VdW N GLY 410 - CG GLU 414 3.05 6 0.09 0.33 + + + + +* VdW N GLY 410 - HG3 GLU 414 2.45 6 0.15 0.66 + + ++* + VdW O GLY 410 - CB SER 411 2.90 7 0.15 0.42 + + ++ + *+ VdW N SER 411 - CG GLU 414 3.05 8 0.20 0.73 ++ + ++++ * VdW CB SER 411 - CD PRO 412 3.20 12 0.25 0.71 +++ +++++ * ++ + VdW CB SER 411 - HD2 PRO 412 2.60 14 0.33 0.80 +++++++++ * ++ ++ VdW HB3 SER 411 - HD2 PRO 412 2.00 7 0.17 0.84 *+ + + + ++ VdW C SER 411 - H GLU 413 2.45 10 0.18 0.37 + ++++ *++ ++ VdW O SER 411 - CG GLU 414 2.90 6 0.16 0.71 + ++ *+ + VdW O GLU 413 - CB ALA 417 2.90 6 0.11 0.53 + * ++ ++ VdW H GLU 414 - CG GLU 414 2.55 7 0.11 0.39 * ++++ ++ VdW O GLU 414 - C ALA 415 2.80 7 0.14 0.44 + + * +++ + VdW O GLU 414 - N ALA 417 2.75 7 0.13 0.60 * + + + ++ + VdW O GLU 414 - HG LEU 418 2.30 8 0.12 0.41 + + + ++ * ++ VdW HA ALA 415 - CD1 LEU 418 2.60 10 0.26 0.64 + +* + + + ++++ VdW HA ALA 415 - HD13 LEU 418 2.00 6 0.09 0.35 + ++ + * + VdW C ALA 415 - N ALA 417 2.95 6 0.13 0.60 ++ + ++ * VdW C ALA 415 - H ALA 417 2.45 6 0.16 0.89 ++ + ++ * VdW O ALA 415 - N ALA 417 2.75 7 0.17 1.02 ++ ++ ++ * VdW N VAL 419 - CG1 VAL 419 2.85 13 0.16 0.24 +*+ ++ + +++++++ VdW H VAL 419 - CG1 VAL 419 2.55 14 0.28 0.44 +++ +* ++ +++++++ VdW CG2 VAL 419 - C VAL 419 2.90 14 0.22 0.32 +*+ ++ ++ +++++++ Angle PHI ALA 42 -75.00 -55.00 6 4.00 10.39 * ++ ++ + Angle PSI ALA 42 -53.00 -27.00 7 4.54 12.41 * +++ + + + Angle PSI ALA 43 -49.00 -29.00 8 7.20 25.13 +* ++ ++ + + Angle PHI ARG 44 -71.00 -51.00 9 5.75 23.32 +* ++ + ++++ Angle PSI ARG 44 -54.00 -34.00 14 14.21 66.22 + +++++++++++*+ Angle PHI LEU 45 -72.00 -52.00 14 8.65 19.70 + +++++ ++ ++++*+ Angle PSI LEU 45 -52.00 -32.00 10 5.64 18.12 ++ +++ +++ *+ Angle PSI ARG 46 -48.00 -28.00 15 16.61 58.51 ++ ++++*+ +++++++ Angle PHI PHE 47 -74.00 -54.00 8 5.25 29.24 +++ + * + ++ Angle PSI PHE 47 -49.00 -29.00 15 18.10 61.24 +++++++ + +*+++++ Angle PSI ARG 48 -34.00 -4.00 15 21.97 82.92 + + ++++++ *++++ ++ Angle PHI CYS 49 -106.00 -66.00 12 8.92 24.08 ++ +* +++++ +++ Angle PSI CYS 49 -51.00 -5.00 7 4.06 13.21 + + + +++ * Angle PSI PHE 50 120.00 140.00 12 6.17 17.25 * + ++ ++ + +++ ++ Angle PHI HIS 51 -128.00 -90.00 12 9.68 29.13 ++ * ++ +++++ ++ Angle PSI HIS 51 99.00 143.00 6 3.70 16.12 + ++ * + + Angle PHI TYR 52 -106.00 -68.00 7 3.28 13.81 ++ +* + + + Angle PHI ALA 55 -80.00 -58.00 16 12.64 26.61 ++++++ ++++*++ ++ + Angle PSI ALA 55 -50.00 -30.00 8 4.31 12.77 + ++ +* ++ + Angle PSI THR 56 -15.00 15.00 19 31.51 59.13 +++++++++ +*++++++++ Angle PSI PRO 58 -41.00 -31.00 20 49.64 111.43 +*++++++++++++++++++ Angle PHI GLN 59 -77.00 -57.00 20 41.64 111.55 +*++++++++++++++++++ Angle PSI GLN 59 -46.00 -26.00 17 28.82 70.47 ++ ++*+++++++ + ++++ Angle PHI GLU 60 -75.00 -55.00 20 38.75 92.24 +++++++++++*++++++++ Angle PSI GLU 60 -54.00 -34.00 20 29.82 54.67 ++++++++*+++++++++++ Angle PHI ALA 61 -72.00 -52.00 18 27.49 61.04 +++ ++++* ++++++++++ Angle PSI ALA 61 -53.00 -33.00 9 7.20 28.19 + +* + ++ +++ Angle PHI LEU 62 -71.00 -51.00 17 19.03 64.66 + ++*+++++++++++ ++ Angle PSI LEU 62 -53.00 -33.00 17 23.49 70.76 *++ ++++++++++++++ Angle PHI ALA 63 -76.00 -56.00 13 22.85 74.39 *+ +++++++ ++++ Angle PSI ALA 63 -48.00 -28.00 11 10.29 51.57 ++++ * ++++ + + Angle PHI GLN 64 -78.00 -58.00 17 18.41 64.70 +++ + ++++++*++++++ Angle PSI GLN 64 -51.00 -31.00 13 26.01 70.93 ++ +*+++ +++ +++ Angle PHI LEU 65 -71.00 -51.00 18 26.81 55.19 ++++++++*++++ +++++ Angle PSI LEU 65 -52.00 -32.00 17 28.61 88.40 ++ ++++*++++ ++++++ Angle PHI ARG 66 -76.00 -56.00 12 20.21 126.55 + + +++*+ + ++ ++ Angle PSI ARG 66 -50.00 -30.00 20 70.19 109.28 +*++++++++++++++++++ Angle PHI GLU 67 -79.00 -59.00 17 29.44 75.21 ++ +++ +++++++* ++++ Angle PSI GLU 67 -50.00 -30.00 19 42.42 82.71 ++++++++*++++++++ ++ Angle PHI LEU 68 -74.00 -54.00 14 13.91 62.57 ++++ ++++++* ++ + Angle PSI LEU 68 -52.00 -32.00 17 21.67 43.76 ++ +++ +++++++*+ +++ Angle PHI CYS 69 -76.00 -56.00 10 11.00 55.08 + + *+ +++++ + Angle PSI CYS 69 -50.00 -30.00 18 57.79 98.77 +++++ ++++++ +++++*+ Angle PHI ARG 70 -73.00 -53.00 19 47.87 123.89 ++++++++++++ +++*+++ Angle PSI ARG 70 -51.00 -31.00 10 10.64 63.42 + ++ +++ + + * + Angle PHI GLN 71 -76.00 -56.00 11 11.51 66.99 ++ + +* +++ ++ + Angle PSI GLN 71 -47.00 -17.00 19 39.73 103.69 +++++++++*+++++++ ++ Angle PHI GLU 76 -78.00 -58.00 12 9.98 33.45 ++ *++ ++++ + + + Angle PSI GLU 76 -40.00 -6.00 15 11.92 71.66 ++ + * +++ ++++ ++++ Angle PSI VAL 77 -29.00 -5.00 14 9.45 23.70 +*+ +++ +++ ++ +++ Angle PHI LYS 80 -69.00 -49.00 17 19.80 41.00 ++ ++++++++*++++ ++ Angle PSI LYS 80 -48.00 -28.00 19 22.30 36.99 ++++++ *++++++++++++ Angle PHI GLU 81 -73.00 -53.00 17 25.71 45.19 +++++ ++*+ ++++++++ Angle PSI GLN 82 -48.00 -28.00 15 10.61 26.59 ++ ++++++ +++* ++ + Angle PHI MET 83 -75.00 -55.00 17 15.16 36.77 +++++*++ ++++++ + ++ Angle PSI MET 83 -52.00 -32.00 12 9.26 28.12 +++ ++ +++++ * + Angle PHI LEU 84 -73.00 -53.00 11 12.44 36.41 +++ ++++ + * + + Angle PSI LEU 84 -52.00 -32.00 17 37.67 94.52 ++++ +++++ + ++++++* Angle PHI GLU 85 -75.00 -55.00 16 18.04 71.36 +++ +++++ ++++ +++* Angle PSI GLU 85 -54.00 -34.00 18 21.90 50.10 +++++++* ++++++++ ++ Angle PHI LEU 86 -74.00 -54.00 20 36.17 63.12 +++++++*++++++++++++ Angle PSI LEU 86 -51.00 -31.00 18 35.45 91.43 +* +++++++++++++ +++ Angle PHI LEU 87 -77.00 -57.00 14 18.84 114.34 +++++ *+++++ + + + Angle PSI LEU 87 -51.00 -31.00 18 33.41 84.02 +++++++ +* +++++++++ Angle PHI VAL 88 -78.00 -58.00 14 16.66 44.36 ++ ++++++ *++ + + + Angle PSI VAL 88 -55.00 -35.00 17 34.49 105.25 ++++++ ++ ++++++ +*+ Angle PHI LEU 89 -70.00 -50.00 15 34.92 134.01 *+++++ ++ ++++ + ++ Angle PSI LEU 89 -57.00 -37.00 19 81.35 110.30 ++++*+++++++++++++ + Angle PHI GLU 90 -73.00 -53.00 18 53.09 116.32 ++++*+++++++++++++ Angle PSI GLU 90 -52.00 -32.00 16 19.80 90.70 ++++ ++++ +++ ++++ * Angle PHI GLN 91 -74.00 -54.00 18 41.53 99.02 +++++++++ ++++++++ * Angle PSI GLN 91 -46.00 -26.00 14 21.30 78.16 +*++++++++ ++ + + Angle PHI PHE 92 -74.00 -54.00 16 18.77 132.31 + + ++*+ +++++++++ + Angle PSI PHE 92 -55.00 -35.00 19 34.43 109.99 ++++++*++++++++++ ++ Angle PHI LEU 93 -72.00 -52.00 15 14.47 69.39 + ++*+++++ ++++++ Angle PSI LEU 93 -49.00 -29.00 20 44.42 82.88 ++++++++*+++++++++++ Angle PHI GLY 94 -80.00 -56.00 20 55.75 76.84 ++++++++++*+++++++++ Angle PSI GLY 94 -46.00 -8.00 10 17.78 49.30 ++ ++ +++++ * Angle PSI PRO 97 132.20 154.90 12 9.21 23.17 ++ * ++ +++++ ++ Angle PSI PRO 98 -46.00 -28.00 16 14.13 26.28 ++++ *++++ +++++ ++ Angle PHI GLU 99 -76.00 -56.00 7 4.74 15.03 +*+ + + + + Angle PSI GLU 99 -47.00 -27.00 6 3.44 9.89 + +++ * + Angle PHI ILE 100 -73.00 -53.00 20 25.97 57.68 ++++++++++++++*+++++ Angle PSI ILE 100 -52.00 -32.00 6 2.84 9.05 + + * ++ + Angle PHI GLN 101 -71.00 -51.00 10 8.90 32.30 ++ ++ ++ * + ++ Angle PSI GLN 101 -51.00 -31.00 13 9.21 31.20 + ++ ++ ++* ++++ + Angle PHI ALA 102 -72.00 -52.00 13 7.33 22.35 ++ * +++ +++++++ Angle PSI ARG 103 -53.00 -33.00 10 5.43 28.34 + * ++++++ + + Angle PHI VAL 104 -77.00 -57.00 7 3.94 14.14 + + +* ++ + Angle PSI VAL 104 -54.00 -34.00 8 3.38 12.32 + +* + + ++ + Angle PSI GLN 105 -52.00 -30.00 19 12.93 39.09 +*+++++++ ++++++++++ Angle PHI GLY 106 -79.00 -59.00 8 5.68 21.45 + + *+ + + + + Angle PHI GLY 110 58.00 92.00 20 59.88 113.27 +++++++++++++*++++++ Angle PSI PRO 112 -44.00 -28.00 17 34.08 113.10 + + ++++++++++++*++ Angle PHI GLU 113 -75.00 -55.00 18 31.74 110.97 +++++++++++ +++ *+++ Angle PSI GLU 113 -51.00 -31.00 17 27.45 85.95 ++++ + +++++++*++ ++ Angle PHI GLU 114 -74.00 -54.00 14 23.21 71.83 +++++++ + +*++++ Angle PSI GLU 114 -54.00 -34.00 14 19.81 47.29 ++++++ ++ +* + + + + Angle PHI ALA 115 -76.00 -56.00 16 15.66 36.33 +++++ ++++++ +++ +* Angle PSI ALA 115 -49.00 -29.00 9 8.03 27.40 *+ + + + ++++ Angle PHI ALA 116 -73.00 -53.00 16 13.39 52.53 ++++ + ++*+++++ +++ Angle PSI ALA 116 -50.00 -30.00 11 8.92 26.42 ++ ++ +++*+ + + Angle PHI ALA 117 -74.00 -54.00 12 13.91 38.19 ++ +++ +++++ +* Angle PSI ALA 117 -50.00 -30.00 12 8.28 20.66 + +*++++ + ++ + + Angle PHI LEU 118 -79.00 -59.00 10 8.43 41.14 ++ ++ + * +++ + Angle PSI LEU 118 -48.00 -28.00 8 6.24 21.26 + + + *+ + ++ Angle PSI VAL 119 -53.00 -33.00 7 6.51 32.96 +* + + + ++ Angle PHI ASP 120 -69.00 -49.00 9 5.99 29.21 +++ + + ++ +* Angle PSI ASP 120 -52.00 -32.00 13 8.93 23.24 *+ ++ ++ +++++ ++ Angle PHI GLY 121 -84.00 -58.00 11 7.79 21.58 + + ++ ++*++ ++ Angle PHI LEU 122 -91.00 -55.00 7 4.04 15.99 * + + +++ + Angle PSI PRO 340 -35.00 -19.00 7 4.15 14.12 + +*++ ++ Angle PHI ALA 342 -75.00 -55.00 10 4.89 10.97 +++ + ++ + + +* Angle PSI ALA 342 -53.00 -27.00 11 6.28 14.51 + ++ + *+++ +++ Angle PSI ALA 343 -49.00 -29.00 11 8.46 27.35 ++ + ++ + ++* ++ Angle PHI ARG 344 -71.00 -51.00 7 4.85 23.74 + ++ + +* + Angle PSI ARG 344 -54.00 -34.00 19 16.45 34.99 ++ ++++++++++++++++* Angle PHI LEU 345 -72.00 -52.00 14 10.04 32.07 + ++ ++ +++ ++*+ ++ Angle PSI LEU 345 -52.00 -32.00 13 8.57 17.51 ++ + ++++ + +* +++ Angle PHI ARG 346 -76.00 -56.00 6 4.41 26.92 + + ++ * + Angle PSI ARG 346 -48.00 -28.00 16 13.12 31.12 ++++ * ++ + ++++++++ Angle PSI PHE 347 -49.00 -29.00 14 15.55 54.50 +++ + +++ * ++++++ Angle PSI ARG 348 -34.00 -4.00 19 17.09 43.45 + +++++++++++++++*++ Angle PHI CYS 349 -106.00 -66.00 11 6.48 18.07 + + ++* ++ + ++ + Angle PSI CYS 349 -51.00 -5.00 7 6.81 32.03 *+ ++ ++ + Angle PSI PHE 350 120.00 140.00 10 6.25 16.75 +++ + ++ + + +* Angle PHI HIS 351 -128.00 -90.00 10 8.96 38.78 +++ ++ ++ +* + Angle PHI ALA 355 -80.00 -58.00 18 10.86 31.47 ++++ +++++++*+++++ + Angle PSI THR 356 -15.00 15.00 20 38.04 59.80 ++++++++++++*+++++++ Angle PSI PRO 358 -41.00 -31.00 20 43.14 61.92 +++++++++++++++++++* Angle PHI GLN 359 -77.00 -57.00 20 35.29 64.04 ++*+++++++++++++++++ Angle PSI GLN 359 -46.00 -26.00 14 38.79 82.13 ++++ + ++ +*+++ ++ Angle PHI GLU 360 -75.00 -55.00 20 47.24 84.44 +++++++++++++*++++++ Angle PSI GLU 360 -54.00 -34.00 18 35.79 56.88 +++++++ ++* ++++++++ Angle PHI ALA 361 -72.00 -52.00 20 38.41 64.21 +++++++++++++++++++* Angle PHI LEU 362 -71.00 -51.00 13 10.41 23.64 + ++ +++++* ++++ Angle PSI LEU 362 -53.00 -33.00 18 32.66 57.82 ++++++*++++ +++++ ++ Angle PHI ALA 363 -76.00 -56.00 13 22.93 57.97 +++ + ++ *++++ ++ Angle PSI ALA 363 -48.00 -28.00 11 6.47 31.88 + ++*+++ ++ + + Angle PHI GLN 364 -78.00 -58.00 15 12.27 30.86 ++ *++ ++++ +++++ + Angle PSI GLN 364 -51.00 -31.00 14 20.10 74.00 + ++++++ *+++ + ++ Angle PHI LEU 365 -71.00 -51.00 17 22.64 53.33 ++++++++*++++ + +++ Angle PSI LEU 365 -52.00 -32.00 13 29.94 87.74 +*+ + + + +++ ++++ Angle PHI ARG 366 -76.00 -56.00 14 21.49 108.63 *++++ +++++++ + + Angle PSI ARG 366 -50.00 -30.00 18 44.72 117.16 ++++++*++ ++++++++ + Angle PHI GLU 367 -79.00 -59.00 15 25.48 83.98 + + ++* ++++ +++ +++ Angle PSI GLU 367 -50.00 -30.00 17 30.14 73.24 +++++++*++++++ +++ Angle PHI LEU 368 -74.00 -54.00 6 6.71 32.42 + + + + * + Angle PSI LEU 368 -52.00 -32.00 16 20.04 55.34 ++++ +++*+ +++++++ Angle PHI CYS 369 -76.00 -56.00 13 12.25 53.38 + ++++ + ++* ++ ++ Angle PSI CYS 369 -50.00 -30.00 16 30.14 116.62 +++ ++++++ ++*+ +++ Angle PHI ARG 370 -73.00 -53.00 20 34.38 82.98 ++++++++*+++++++++++ Angle PSI ARG 370 -51.00 -31.00 10 12.82 68.26 + + + ++*++++ Angle PHI GLN 371 -76.00 -56.00 10 8.26 68.07 + + + + + ++ +* + Angle PSI GLN 371 -47.00 -17.00 19 30.08 72.36 ++++++++++++++ +++*+ Angle PHI GLU 376 -78.00 -58.00 11 9.66 26.24 ++ ++*++ +++ + Angle PHI VAL 377 -118.00 -86.00 8 6.66 24.42 + ++*++ + + Angle PSI VAL 377 -29.00 -5.00 11 9.73 54.52 +* + + ++ ++ ++ + Angle PHI SER 379 -113.00 -71.00 12 8.69 30.21 + +*++ + ++ ++ ++ Angle PSI SER 379 155.00 175.00 10 6.47 28.08 ++ + + + *++ + + Angle PHI LYS 380 -69.00 -49.00 17 22.25 39.60 ++++++ +++*++ +++++ Angle PSI LYS 380 -48.00 -28.00 19 20.32 40.88 ++++++++++++++* ++++ Angle PHI GLU 381 -73.00 -53.00 16 29.28 48.41 ++ *++++++++++++ + Angle PSI GLU 381 -50.00 -30.00 15 17.27 45.63 ++++ + ++*++++ +++ Angle PHI GLN 382 -76.00 -56.00 8 4.88 20.15 + * + +++++ Angle PSI GLN 382 -48.00 -28.00 14 10.41 21.33 +* + ++++++++ +++ Angle PHI MET 383 -75.00 -55.00 17 15.88 42.01 ++*++++ + +++++++++ Angle PSI MET 383 -52.00 -32.00 15 11.96 27.35 +* +++ ++ ++++++++ Angle PHI LEU 384 -73.00 -53.00 13 11.19 30.95 + ++++ +++ + *+ ++ Angle PSI LEU 384 -52.00 -32.00 16 21.02 69.23 ++*+ ++++++++++++ Angle PHI GLU 385 -75.00 -55.00 16 10.12 27.37 ++++++*+ +++ +++ ++ Angle PSI GLU 385 -54.00 -34.00 15 9.86 28.90 ++++++ +*++++ + ++ Angle PHI LEU 386 -74.00 -54.00 20 27.02 39.08 ++++++++*+++++++++++ Angle PSI LEU 386 -51.00 -31.00 18 29.36 78.82 ++++++*+ +++++++ +++ Angle PHI LEU 387 -77.00 -57.00 17 17.85 51.61 ++++ +++++++*++ ++ + Angle PSI LEU 387 -51.00 -31.00 14 22.38 70.45 + +++ + +*++++ +++ Angle PHI VAL 388 -78.00 -58.00 14 24.17 66.92 + *+ +++++ ++++++ Angle PSI VAL 388 -55.00 -35.00 17 48.35 109.97 +++++++++++++ * +++ Angle PHI LEU 389 -70.00 -50.00 16 48.62 117.08 +++++++++ +++ * +++ Angle PSI LEU 389 -57.00 -37.00 20 80.74 105.23 +++++++++++++*++++++ Angle PHI GLU 390 -73.00 -53.00 18 34.14 85.08 ++ ++ +++++++++++*++ Angle PSI GLU 390 -52.00 -32.00 16 19.28 68.89 ++++ ++ +++ + ++++*+ Angle PHI GLN 391 -74.00 -54.00 19 50.30 88.45 +++++++++++ *+++++++ Angle PSI GLN 391 -46.00 -26.00 15 35.56 100.06 + ++* ++ ++ +++++ ++ Angle PHI PHE 392 -74.00 -54.00 12 16.83 100.36 *+ + +++ + +++ + + Angle PSI PHE 392 -55.00 -35.00 20 31.57 108.75 +*++++++++++++++++++ Angle PHI LEU 393 -72.00 -52.00 18 17.68 71.79 ++++ *++++++++ +++++ Angle PSI LEU 393 -49.00 -29.00 19 51.73 88.99 * ++++++++++++++++++ Angle PHI GLY 394 -80.00 -56.00 19 49.91 90.55 ++++++ ++++*++++++++ Angle PSI GLY 394 -46.00 -8.00 7 7.54 33.37 + * +++ ++ Angle PSI PRO 397 132.20 154.90 12 8.33 23.13 +++ ++ +++ * ++ + Angle PSI PRO 398 -46.00 -28.00 12 12.32 28.62 ++ +++ ++ *+ + + + Angle PHI GLU 399 -76.00 -56.00 13 7.64 16.42 +++++++ ++* + + + Angle PSI GLU 399 -47.00 -27.00 10 5.32 14.71 + + + ++++ ++ * Angle PHI ILE 400 -73.00 -53.00 20 19.03 32.89 +++++++++*++++++++++ Angle PSI ILE 400 -52.00 -32.00 8 4.58 16.41 ++ * + ++++ Angle PHI GLN 401 -71.00 -51.00 14 10.89 23.54 + ++ + ++ +++++++* Angle PSI GLN 401 -51.00 -31.00 6 3.86 20.56 + *++ + + Angle PHI ALA 402 -72.00 -52.00 9 6.63 21.57 + + *+ + ++ ++ Angle PHI VAL 404 -77.00 -57.00 13 6.93 32.36 +++++ +* ++ +++ + Angle PSI GLN 405 -52.00 -30.00 16 14.59 51.53 ++ ++++ +++*++ ++++ Angle PHI GLY 406 -79.00 -59.00 8 4.85 19.64 + + * +++ + + Angle PSI GLY 406 -40.00 -6.00 9 12.21 54.30 ++ ++ + *+ ++ Angle PHI GLY 410 58.00 92.00 20 55.54 88.52 +++*++++++++++++++++ Angle PSI GLY 410 -10.00 46.00 9 7.01 28.93 ++* +++++ + Angle PSI PRO 412 -44.00 -28.00 18 36.66 73.71 ++++++ +++++++++*++ Angle PHI GLU 413 -75.00 -55.00 20 46.14 65.41 ++*+++++++++++++++++ Angle PSI GLU 413 -51.00 -31.00 16 25.61 95.43 + ++ +++++++++++* + Angle PHI GLU 414 -74.00 -54.00 16 17.99 59.03 + + +++++ ++ ++++*++ Angle PSI GLU 414 -54.00 -34.00 16 23.22 50.44 *++++++ +++++++ ++ Angle PHI ALA 415 -76.00 -56.00 17 19.10 68.22 ++++ ++ ++*++++++++ Angle PSI ALA 415 -49.00 -29.00 12 9.63 34.80 ++++ +++*+ + + + Angle PHI ALA 416 -73.00 -53.00 12 9.25 24.62 ++ + +++++ ++*+ Angle PSI ALA 416 -50.00 -30.00 9 9.12 30.91 ++ + + *+ + ++ Angle PHI ALA 417 -74.00 -54.00 11 12.51 41.26 +++ ++ +++*+ + Angle PSI ALA 417 -50.00 -30.00 8 7.26 31.99 + +++ +++ * Angle PHI LEU 418 -79.00 -59.00 8 7.37 31.21 ++ ++ * ++ + Angle PSI LEU 418 -48.00 -28.00 8 3.86 17.49 ++ ++ + * + + Angle PHI VAL 419 -74.00 -54.00 6 3.66 14.23 + ++ + + * Angle PSI VAL 419 -53.00 -33.00 11 6.06 36.16 ++ ++ +* ++ + + + Angle PSI ASP 420 -52.00 -32.00 6 5.52 22.92 + + +* + + Angle PHI GLY 421 -84.00 -58.00 12 6.98 20.48 *+ +++++ + + ++ + 1153 violated distance constraints. 222 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 3.16 +/- 0.61 A (2.22..4.39 A) Average heavy atom RMSD to mean : 3.54 +/- 0.64 A (2.60..4.75 A)