Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2352.74 634 0.3148 6.131381 730.8 1.49 13417.3395 71.57 2 2361.13 579 0.3028 6.381441 805.9 2.25 13515.7799 74.26 3 2390.66 588 0.3044 5.921485 812.2 2.21 13715.9023 82.13 4 2405.95 586 0.3161 6.511463 769.6 1.52 13417.4220 69.84 5 2412.96 617 0.3042 5.071627 863.5 1.92 12815.4050 65.41 6 2439.08 640 0.3258 6.981380 737.6 1.35 13316.1670 91.06 7 2441.58 622 0.3053 6.111570 846.0 1.89 14217.4027 73.76 8 2453.16 608 0.3063 6.331588 863.1 1.86 13215.8447 71.76 9 2460.49 601 0.3044 5.961542 863.7 2.13 13414.7737 70.12 10 2464.29 598 0.2959 6.331628 902.6 2.20 13216.5098 68.55 11 2486.05 586 0.3030 6.361631 892.9 2.46 12416.7219 74.99 12 2502.66 600 0.3083 5.941580 860.5 1.88 15018.7205 77.77 13 2509.68 606 0.3021 6.401622 894.9 2.32 14116.2164 86.66 14 2538.99 598 0.3083 6.021577 867.1 2.50 14116.9453 68.77 15 2551.03 607 0.2970 6.221649 937.7 2.31 13316.2126 72.95 16 2556.03 633 0.3087 5.341633 897.4 1.90 13218.4600 67.80 17 2572.38 643 0.3134 6.521536 856.2 2.01 13919.1818102.38 18 2599.56 593 0.3137 6.991539 864.8 2.28 12116.3138 64.48 19 2604.16 605 0.3072 6.651649 929.6 2.39 13216.5471 66.67 20 2616.43 675 0.3086 6.061778 965.6 2.29 14116.6542 74.68 Ave 2485.95 611 0.3075 6.211565 858.1 2.06 13516.7260 74.78 +/- 78.95 23 0.0067 0.45 96 60.4 0.32 6 1.0812 9.18 Min 2352.74 579 0.2959 5.071380 730.8 1.35 12114.7737 64.48 Max 2616.43 675 0.3258 6.991778 965.6 2.50 15019.1818102.38 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QB ALA 43 - QB ARG 46 3.76 7 0.46 0.92 *+++ + ++ peak 1627 Upper QB ALA 43 - QD2 LEU 68 3.39 14 0.68 1.15 ++++* + + + + +++++ peak 2504 Upper QB ALA 43 - HD1 TRP 72 3.17 19 0.96 1.63 +++++ +++++++++++++* peak 223 Upper HG3 ARG 44 - HZ2 TRP 72 4.31 7 0.42 1.24 ++ ++ + + * peak 199 Upper HD2 ARG 44 - HB2 LEU 45 4.15 16 0.84 2.48 +++++++++ * + +++++ peak 1818 Upper HD2 ARG 44 - HH2 TRP 72 4.35 17 0.92 2.31 +++++++++ * ++ +++++ peak 184 Upper H LEU 45 - HG LEU 45 3.23 6 0.38 1.30 + +* + + + peak 686 Upper HA LEU 45 - H CYS 49 4.31 16 0.93 1.63 +++*++ +++ +++++++ peak 759 Upper H ARG 46 - QD2 LEU 68 4.30 15 0.80 1.53 ++ + ++ +++*++++++ peak 668 Upper HA PHE 47 - QD2 LEU 65 4.58 9 0.60 1.60 ++++ * + +++ peak 2379 Upper QD PHE 47 - QD1 LEU 65 4.18 9 0.57 1.35 ++ ++ + + + * + peak 2398 Upper QD PHE 47 - QD1 LEU 65 3.95 6 0.47 0.95 *+ + + + + peak 304 QD PHE 47 - QD1 LEU 87 Upper QD PHE 47 - QD2 LEU 65 3.54 8 0.44 1.14 ++*+ ++ + + peak 303 Upper QD PHE 47 - H ARG 70 4.68 13 0.94 2.01 + +++ ++* +++++ + peak 97 Upper QD PHE 47 - QG1 VAL 88 4.75 15 0.80 1.76 ++++ ++++ + + +*++ + peak 2761 Upper QD PHE 47 - QG2 VAL 88 3.59 18 1.57 2.30 +*++++++++ +++++++ + peak 8237 Upper QE PHE 47 - QD2 LEU 62 5.32 12 0.62 1.28 + ++ ++ ++++ +*+ peak 2310 QD2 LEU 62 - H GLU 67 Upper QE PHE 47 - HG LEU 65 3.76 6 0.47 1.36 ++ + * + + peak 317 Upper QE PHE 47 - H GLU 90 4.61 9 0.53 1.96 +++ *+ ++ + + peak 402 Upper HZ PHE 47 - HE ARG 48 4.82 6 0.65 2.61 + + + * + + peak 1346 Upper HZ PHE 47 - QD2 LEU 65 4.17 14 0.73 1.57 ++ + + +++ ++++ +*+ peak 291 Upper HZ PHE 47 - H CYS 69 4.68 15 0.89 1.31 + ++++ +++*+ +++++ peak 86 Upper HZ PHE 47 - HG LEU 87 3.81 15 1.38 3.04 ++ ++ +++*++++ ++ + peak 296 Upper HZ PHE 47 - QG1 VAL 88 3.76 10 0.88 2.39 +++ +++ ++ + * peak 293 Upper HZ PHE 47 - QG2 VAL 88 3.73 7 0.51 1.80 + + + + ++ * peak 294 Upper H PHE 50 - QD1 LEU 68 4.43 7 0.42 1.30 + *++ + + + peak 2509 Upper H PHE 50 - HG2 GLN 91 4.64 9 0.78 2.63 ++* +++ ++ + peak 776 Upper HB2 PHE 50 - QB ALA 95 4.71 6 0.48 1.99 + + ++ + * peak 1714 Upper QD PHE 50 - HB3 GLN 64 3.90 6 0.40 1.75 + + ++ * + peak 276 QD PHE 50 - HB2 LEU 68 Upper QD PHE 50 - QD1 LEU 65 3.56 10 0.47 0.94 ++*+ + + + + + + peak 284 Upper QD PHE 50 - QD1 LEU 68 3.16 15 0.77 1.41 ++ + + *++++ ++++++ peak 279 Upper QD PHE 50 - QB ALA 395 3.02 20 2.92 6.98 +++++*++++++++++++++ peak 8165 Upper QE PHE 50 - QD TYR 52 3.46 18 1.37 2.31 +++++* +++ +++++++++ peak 60 Upper QE PHE 50 - HG LEU 65 4.06 7 0.54 1.86 + *++ + ++ peak 270 QE PHE 50 - QD2 LEU 68 Upper QE PHE 50 - QD1 LEU 65 3.99 8 0.44 1.15 ++* + + + + + peak 271 Upper QE PHE 50 - QD1 LEU 68 3.94 19 1.24 1.96 +++* +++++++++++++++ peak 269 Upper QE PHE 50 - HA PHE 92 4.45 11 0.57 1.69 ++ + ++ +++ * ++ peak 84 Upper QE PHE 50 - QB ALA 395 3.34 11 1.53 5.92 + ++*+ +++ ++ + peak 8164 Upper HB2 HIS 51 - QG GLU 53 4.56 12 0.67 1.19 ++ + ++* ++++ ++ peak 2048 Upper HB2 HIS 51 - QB ALA 95 5.20 9 0.59 1.52 *++ ++ + + ++ peak 2051 Upper HB3 HIS 51 - QB ALA 95 3.77 20 1.63 1.97 ++++++++++++*+++++++ peak 8174 Upper HE1 HIS 51 - HB2 GLU 53 4.21 7 0.36 0.73 + + * ++++ peak 259 Upper H TYR 52 - HG LEU 96 5.22 12 1.35 4.06 + ++ + + *+ +++ + + peak 793 Upper QB TYR 52 - QB ALA 395 4.18 6 0.62 3.59 +*+ + + + peak 2059 Upper QB TYR 52 - QD2 LEU 396 4.18 20 2.82 3.98 +++++++++++++++++*++ peak 8179 Upper QD TYR 52 - QG GLU 54 3.32 16 1.05 1.74 ++++++ +*+ ++++ +++ peak 243 Upper QD TYR 52 - HG3 PRO 97 3.56 12 0.72 1.53 *++++++++ + ++ peak 245 Upper QD TYR 52 - QG2 VAL 119 3.77 8 0.54 1.58 + + +++ ++ * peak 250 Upper QD TYR 52 - QB ALA 395 3.68 6 0.84 4.12 +*+ + + + peak 8175 Upper QD TYR 52 - QD2 LEU 396 3.70 20 2.43 3.37 +++++++++++++++++*++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.11 20 3.11 3.96 *+++++++++++++++++++ peak 8115 Upper QE TYR 52 - H ALA 61 4.72 15 0.98 2.65 +++ ++ ++ ++++++ +* peak 871 Upper QE TYR 52 - QB ALA 61 2.93 19 1.52 3.19 +++++++ +++++++++++* peak 233 Upper QE TYR 52 - QD PHE 92 4.66 17 1.72 2.72 ++++++ +++ +++++++* peak 140 Upper QE TYR 52 - QE PHE 92 4.04 15 1.04 2.17 ++++ + +++ ++++++ * peak 109 Upper QE TYR 52 - HZ PHE 92 4.30 16 1.30 2.31 ++ + +++++++++++ +* peak 115 Upper QE TYR 52 - QB ALA 395 4.34 7 1.08 3.82 +++ *+ + + peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.90 17 1.38 2.66 + ++++* +++++++ ++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.73 20 2.37 2.94 ++++++*+++++++++++++ peak 8114 Upper QE TYR 52 - QG2 VAL 419 3.65 20 3.51 4.37 +++++++*++++++++++++ peak 8189 Upper HB2 GLU 53 - QG2 THR 56 4.17 7 0.40 0.97 ++ ++* + + peak 2582 Upper HB2 GLU 53 - QB ALA 61 4.14 16 1.23 2.42 +++++ *++ ++++++++ peak 8142 QB ALA 61 - HB2 LEU 65 Upper QG GLU 53 - HA GLU 54 5.18 15 0.68 0.92 +++ + +++ +++++++* peak 2085 Upper QG GLU 53 - QB ALA 61 3.58 9 0.62 1.13 + + +++ + + *+ peak 1607 HB2 GLU 60 - QB ALA 61 Upper QB GLU 54 - H GLY 57 4.31 12 0.69 1.43 ++ +++ *++++ ++ peak 822 Upper QG GLU 54 - H GLY 57 4.76 13 0.71 1.18 + + +++ ++++*+ ++ peak 825 Upper HA ALA 55 - QG2 THR 56 4.28 19 0.90 1.21 ++++++++*++++++++ ++ peak 2114 Upper QB ALA 55 - H GLY 57 3.84 12 0.70 1.05 ++ + + + *++++ + + peak 826 Upper HB THR 56 - HG2 GLU 60 4.22 17 0.76 1.26 ++ ++++++*+++ + ++++ peak 2104 Upper QG2 THR 56 - H LEU 62 5.06 16 0.89 1.97 + ++++ +++ +++++*++ peak 1774 Upper QG2 THR 56 - HE21 GLN 64 3.68 10 0.61 1.17 ++++ + + ++ * + peak 1772 Upper H GLY 57 - H GLU 60 5.03 12 0.68 1.34 ++++++ + + * +++ peak 398 Upper H GLY 57 - HG3 GLU 60 4.75 7 0.37 1.01 + ++ + + +* peak 824 Upper HA3 GLY 57 - H GLN 59 4.54 13 0.76 1.36 ++++ + + + + + +*++ peak 170 Upper HA PRO 58 - HZ PHE 92 4.37 8 0.51 2.09 + + + + + + +* peak 116 Upper HB2 PRO 58 - H VAL 119 5.29 8 0.59 1.70 +++ * + ++ + peak 2171 Upper HB2 PRO 58 - HA ALA 416 4.33 20 3.35 4.77 *+++++++++++++++++++ peak 8259 Upper HB2 PRO 58 - QB ALA 416 4.47 19 2.03 3.33 +++++ +++++++*++++++ peak 8262 Upper HB3 PRO 58 - QG1 VAL 119 4.38 10 0.69 2.39 +++ +++ * ++ + peak 2139 Upper HB3 PRO 58 - HA ALA 416 3.72 20 3.02 4.23 *+++++++++++++++++++ peak 8252 Upper HB3 PRO 58 - QB ALA 416 3.94 18 1.46 2.40 +++++ +++++++*+ ++++ peak 8257 Upper HG2 PRO 58 - HZ PHE 92 3.74 11 0.68 1.79 + ++ + ++ + + + *+ peak 169 HZ PHE 92 - HB VAL 119 Upper HG2 PRO 58 - HB2 ASP 120 3.94 6 0.33 1.65 + + +*+ + peak 1489 Upper HG2 PRO 58 - HB3 ASP 120 3.92 13 0.89 2.98 ++ + +++ +* ++ +++ peak 1486 Upper HG2 PRO 58 - H GLY 121 4.45 20 1.92 4.15 ++++++++++++*+++++++ peak 1317 Upper HG2 PRO 58 - QD1 ILE 400 3.84 10 1.34 5.72 + + ++ +++ ++ * peak 8117 Upper HG3 PRO 58 - QD1 ILE 400 3.84 11 1.27 4.46 + + ++ ++ +++ +* peak 8116 Upper HD3 PRO 58 - QG2 VAL 119 3.84 14 0.94 2.55 ++++ + +*+ +++++ + peak 1758 Upper H GLN 59 - HG2 GLN 59 3.43 6 0.36 0.92 +++ * + + peak 835 Upper H GLN 59 - HB2 LEU 62 4.88 8 0.54 1.57 ++ +++ + * + peak 838 Upper H GLN 59 - QD1 LEU 62 3.98 6 0.41 1.58 + ++*++ peak 8308 Upper H GLN 59 - QG2 VAL 119 5.05 7 0.48 2.06 + *+ + ++ + peak 841 Upper H GLN 59 - QD2 LEU 362 4.27 20 2.36 4.20 ++++++++++*+++++++++ peak 8218 Upper H GLN 59 - QB ALA 416 3.58 18 1.77 3.43 +++++ +++++++++ +++* peak 8135 Upper HA GLN 59 - HB3 LEU 62 4.02 10 0.64 1.85 ++ + * ++ + + ++ peak 1873 Upper HA GLN 59 - QD2 LEU 362 3.40 17 1.42 3.66 ++++ ++++*++++ ++++ peak 8214 Upper QB GLN 59 - H ALA 63 4.06 18 1.07 1.90 ++++++ ++++++*+++++ peak 897 Upper QB GLN 59 - QB ALA 116 3.13 15 1.63 2.82 ++++ + +*+ ++++++ + peak 8137 Upper HG2 GLN 59 - QD1 LEU 62 4.82 10 0.86 2.47 + ++ *++++ ++ peak 2208 Upper HG2 GLN 59 - QB ALA 116 4.09 15 1.22 3.21 ++++ + +++ ++++++ * peak 2206 Upper HG3 GLN 59 - QD1 LEU 62 4.65 7 0.48 1.81 + + *+ + ++ peak 2207 Upper HG3 GLN 59 - QB ALA 116 3.59 14 1.16 2.52 ++++ ++* +++++++ peak 1622 Upper HE21 GLN 59 - HA ALA 117 5.01 14 1.06 2.73 ++ + +*+ ++++++++ peak 845 Upper HE21 GLN 59 - QB ALA 117 4.41 16 1.58 2.86 +++ + +++ +*+++++++ peak 849 Upper HE22 GLN 59 - HA ALA 117 4.84 10 0.87 2.79 ++ + ++ +* ++ + peak 868 Upper HE22 GLN 59 - QB ALA 117 4.63 12 0.97 2.52 ++ +++*+ ++ ++ + peak 855 Upper HE22 GLN 59 - H ASP 120 5.33 8 0.41 1.35 ++ +* + +++ peak 628 HZ PHE 92 - H ASP 120 Upper H GLU 60 - HA ALA 61 4.54 17 0.90 1.19 +*+++ ++ ++++++ ++++ peak 2256 Upper H GLU 60 - QB ALA 61 4.04 7 0.46 0.74 +* + + + ++ peak 1671 Upper HB3 GLU 60 - QB ALA 63 3.65 12 0.81 2.31 ++ +++ ++ ++*+ + peak 2234 Upper H ALA 61 - H ALA 63 3.31 10 0.58 0.92 ++ +++ + + + * + peak 178 Upper H ALA 61 - QE PHE 92 5.09 11 0.78 2.00 ++ ++ ++ +++ +* peak 869 Upper QB ALA 61 - QD PHE 392 3.25 18 2.57 4.98 ++++*++++ ++++ +++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.19 20 3.27 4.40 ++++*+++++++++++++++ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 6 0.45 1.52 + + + *+ + peak 884 Upper H LEU 62 - HA ALA 63 4.23 19 0.88 1.24 +++++*+++++++++ ++++ peak 876 Upper H LEU 62 - QG1 VAL 88 4.76 12 0.66 1.87 + + +++ +++++* + peak 886 Upper H LEU 62 - QB ALA 116 4.82 8 0.43 1.40 + * +++ +++ peak 1661 Upper HA LEU 62 - HG2 GLN 91 5.43 7 0.50 1.60 + ++ + + + * peak 3222 Upper HB2 LEU 62 - H ALA 63 3.45 6 0.27 0.80 +* + + + + peak 899 Upper HB3 LEU 62 - H ALA 63 3.57 6 0.41 1.07 ++ + * ++ peak 901 Upper HB3 LEU 62 - QB ALA 116 3.66 17 1.53 3.32 + + +*+++++ ++++++++ peak 8139 Upper HG LEU 62 - HG2 GLU 113 5.06 12 0.85 2.41 ++*++++ +++ ++ peak 3840 Upper QD1 LEU 62 - H ALA 63 4.42 9 0.42 0.92 + ++ ++*+++ peak 8311 Upper QD1 LEU 62 - H LEU 65 5.40 12 0.70 1.63 + ++ +++ + +*+++ peak 2306 QD1 LEU 62 - H ARG 66 Upper QD1 LEU 62 - QG1 VAL 88 3.83 8 0.46 1.55 + + +++ + + * peak 2270 Upper QD1 LEU 62 - HG3 GLU 113 4.54 6 0.44 1.82 + + * + ++ peak 3835 Upper QD1 LEU 62 - H ALA 115 4.38 11 0.79 2.29 + + + +++ ++ *++ peak 8310 Upper QD1 LEU 62 - H ALA 117 5.09 11 0.64 1.68 + * +++ ++++ ++ peak 1299 Upper QD1 LEU 62 - QG1 VAL 388 3.35 17 1.97 3.49 +++++++++ +++ ++ ++* peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.71 13 1.40 3.57 ++++++++ *+ + + + peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.17 15 1.02 2.83 ++*++++++ ++ ++ ++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.32 10 1.07 2.83 +++*+++ ++ + peak 8267 Upper QD2 LEU 62 - H LEU 65 4.60 14 0.91 2.02 + ++ + +++++++++ * peak 2315 Upper QD2 LEU 62 - HB2 LEU 65 5.01 12 0.85 1.83 ++ + +++ + + ++*+ peak 2366 Upper QD2 LEU 62 - HG LEU 65 4.50 7 0.49 1.54 * + +++++ peak 2375 Upper QD2 LEU 62 - QD2 LEU 65 3.81 15 0.92 1.79 ++ +++++++ +*++++ peak 2374 Upper QD2 LEU 62 - QB ARG 66 3.62 11 0.97 2.39 + + ++ ++* + +++ peak 8209 Upper QD2 LEU 62 - HA VAL 88 5.12 8 0.45 1.38 + + +++ +*+ peak 3141 Upper QD2 LEU 62 - H GLN 91 5.15 8 0.43 1.39 + + ++ + +*+ peak 2312 QD2 LEU 62 - H ALA 115 Upper QD2 LEU 62 - H PHE 92 4.60 10 0.60 1.46 + + ++ ++ + +*+ peak 2317 Upper QD2 LEU 62 - H LEU 93 5.00 13 1.08 2.41 +++* +++ ++ + +++ peak 1173 Upper QD2 LEU 62 - HA GLU 113 3.45 13 0.91 1.76 + +*+++ ++ + +++ + peak 8213 Upper QD2 LEU 62 - H GLU 114 4.39 18 1.34 2.01 ++++++++++++ ++*+++ peak 8217 Upper QD2 LEU 62 - QB ALA 115 4.41 16 1.10 2.17 ++++++ +++ ++ + +*++ peak 1678 Upper QD2 LEU 62 - H ALA 116 4.76 15 0.93 2.22 +++++ +++ ++ + +*++ peak 977 Upper QD2 LEU 62 - HA ALA 116 5.29 15 0.98 2.17 ++ +++++ ++* + ++++ peak 3886 Upper QD2 LEU 62 - QB ALA 116 3.42 14 0.82 1.61 + +++ +++ ++ * ++++ peak 8208 Upper QD2 LEU 62 - H GLN 359 4.27 20 3.45 4.67 +*++++++++++++++++++ peak 8218 Upper QD2 LEU 62 - HA GLN 359 3.40 18 2.85 4.38 ++++ ++++++++*+++++ peak 8214 Upper QD2 LEU 62 - QD PHE 392 3.39 7 0.64 2.79 + +++ +* + peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.80 17 1.22 2.37 ++++++++++* +++++ + peak 8216 Upper QD2 LEU 62 - HB2 PRO 412 3.97 11 0.90 2.32 +++ ++ ++ *+ + + peak 8264 Upper QD2 LEU 62 - HB3 PRO 412 4.14 12 0.84 2.28 +++ +*++ ++ + + + peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 4.00 19 1.92 3.17 ++++++ ++++++*++++++ peak 8268 Upper QB ALA 63 - H LEU 65 4.00 11 0.76 1.57 ++ ++* +++++ + peak 1698 Upper QB ALA 63 - HG2 GLU 113 4.83 16 3.22 5.65 ++++ + +++ +++++*++ peak 3841 Upper H GLN 64 - HE22 GLN 64 4.95 9 0.46 1.47 + + + * ++++ + peak 388 Upper HA GLN 64 - HE22 GLN 64 4.93 10 0.56 1.23 + *++ +++++ + peak 394 Upper HA GLN 64 - HG3 GLU 67 4.41 8 0.50 1.90 *+ + + + + + + peak 2453 Upper QD1 LEU 65 - H GLU 67 5.20 9 0.50 1.15 + + + * +++ + + peak 957 Upper QD1 LEU 65 - HA GLN 91 4.57 8 0.49 1.50 + *+ + + + + + peak 3219 Upper QD1 LEU 65 - QG1 VAL 388 3.65 20 2.51 3.59 +++++++++++++++++*++ peak 8282 Upper QD1 LEU 65 - QD PHE 392 3.30 20 2.90 3.79 +++++*++++++++++++++ peak 8289 Upper QD2 LEU 65 - QD PHE 92 4.14 9 0.66 2.64 + +++ + + ++ * peak 2402 Upper QD2 LEU 65 - HG3 GLN 391 3.85 13 1.66 5.51 +++++*++ ++ + + + peak 8294 Upper HA ARG 66 - QB LEU 384 4.22 20 3.46 4.76 ++++++*+++++++++++++ peak 8248 Upper QB ARG 66 - H VAL 88 4.88 10 0.69 2.22 + +* ++ +++++ peak 2448 Upper QB ARG 66 - QG1 VAL 88 3.19 9 0.50 1.46 + ++ * + ++++ peak 3147 Upper QG ARG 66 - QG1 VAL 88 3.73 12 0.72 1.77 ++++ + ++ ++ *+ + peak 8198 Upper QG ARG 66 - QG2 VAL 88 3.52 8 0.53 2.18 + * ++ ++++ peak 3144 Upper HD2 ARG 66 - QG2 VAL 88 4.03 10 0.58 1.37 ++ + +++ *+ + + peak 3150 HA CYS 69 - QG2 VAL 88 Upper H GLU 67 - QD2 LEU 68 4.55 12 0.95 1.65 +++ + + * + + ++++ peak 956 Upper H GLU 67 - QD2 LEU 68 4.46 12 0.77 1.34 ++* + + + + + ++++ peak 2531 QD2 LEU 68 - H TRP 72 Upper H GLU 67 - H ARG 70 4.29 15 0.89 1.66 ++++++ +++ +++ *++ peak 195 Upper HA GLU 67 - HG3 ARG 70 4.93 10 0.74 1.92 + + + + + * ++++ peak 2596 Upper HA GLU 67 - HD2 ARG 70 4.31 15 0.89 1.95 ++++ * + +++++++++ peak 2593 Upper HA GLU 67 - HD3 ARG 70 4.60 15 0.80 1.56 ++ +++* +++++++ ++ peak 2591 Upper QD2 LEU 68 - H CYS 69 3.83 9 0.65 1.39 + ++ + + * +++ peak 2535 Upper QD2 LEU 68 - H GLN 71 4.54 15 0.84 1.61 + +*+ +++ +++ +++++ peak 278 Upper H CYS 69 - QG2 VAL 88 3.68 16 1.32 2.47 ++++ +++++ +++ *++ + peak 8235 Upper HA CYS 69 - HB3 TRP 72 4.70 11 0.64 1.50 ++ + + + *+++++ peak 2553 Upper HA CYS 69 - HB3 LEU 73 4.04 13 0.80 1.67 + *++++++ + ++++ peak 2555 Upper HA CYS 69 - QG2 VAL 88 4.11 19 1.53 2.32 ++++++++++++++ ++++* peak 8233 Upper HB2 CYS 69 - HB3 LEU 73 3.87 9 0.51 1.36 ++++ + * +++ peak 8276 Upper HB3 CYS 69 - HB3 LEU 73 4.33 13 0.93 2.00 +++ ++ * ++ + ++++ peak 2562 Upper H ARG 70 - QB LEU 84 4.47 15 1.02 1.94 *+++ + +++ +++++ ++ peak 8249 Upper H ARG 70 - QD1 LEU 84 3.42 13 0.64 1.29 ++++ + +++ ++* ++ peak 8321 H LEU 73 - QD1 LEU 84 Upper HD2 ARG 70 - QD1 LEU 84 4.45 17 1.33 2.14 +++++ ++ ++++++*+++ peak 2570 Upper HD3 ARG 70 - H ARG 74 5.01 7 0.50 1.11 + * + + + ++ peak 2605 Upper H GLN 71 - QG ARG 74 4.17 10 0.58 1.53 + + + + +++ ++* peak 286 Upper H GLN 71 - QD1 LEU 84 4.66 18 1.53 2.51 +++++* +++ +++++++++ peak 277 Upper QB GLN 71 - H LEU 73 4.58 20 0.98 1.26 ++++++++++++++++++*+ peak 751 Upper H TRP 72 - QG1 VAL 377 4.08 20 3.94 6.36 ++++++++++*+++++++++ peak 8204 Upper HB2 TRP 72 - HZ3 TRP 72 4.00 20 0.88 1.13 +++++*++++++++++++++ peak 212 Upper HB3 TRP 72 - H ARG 74 4.89 20 1.08 1.54 ++++++++++++++++*+++ peak 993 Upper HD1 TRP 72 - HB3 LEU 73 3.94 17 0.92 1.37 ++++ + ++ *+++++++++ peak 225 Upper HD1 TRP 72 - QD2 LEU 73 4.25 20 1.91 2.38 +++++++++++++++*++++ peak 227 Upper HE3 TRP 72 - HG LEU 73 4.80 9 0.53 1.45 ++ + +++*+ + peak 1934 HZ3 TRP 72 - HG LEU 73 Upper HE3 TRP 72 - QD2 LEU 73 4.26 9 0.45 1.09 ++ ++ + *+++ peak 211 Upper HE3 TRP 72 - QD1 LEU 87 4.42 16 0.99 1.83 ++++ * +++ ++++++++ peak 3094 Upper HE3 TRP 72 - QD2 LEU 387 4.19 20 1.99 3.33 ++++++++++*+++++++++ peak 8228 Upper HZ2 TRP 72 - HB2 LEU 86 5.00 6 0.63 2.43 ++ + + * + peak 3074 HH2 TRP 72 - HB2 LEU 86 Upper HZ2 TRP 72 - HG LEU 86 3.93 7 0.85 3.90 ++ + + + + * peak 190 Upper HZ2 TRP 72 - QD2 LEU 387 3.94 16 2.84 4.54 ++++ * +++ ++++++++ peak 8227 Upper HH2 TRP 72 - HB3 LEU 86 4.79 12 0.78 1.65 ++ +++ * ++ ++ ++ peak 3072 Upper HH2 TRP 72 - QD2 LEU 87 3.22 13 0.75 1.92 ++*+ +++ +++ +++ peak 204 Upper H LEU 73 - HD3 PRO 75 5.05 10 0.54 1.16 *+ + + +++ +++ peak 2703 Upper H LEU 73 - QE MET 83 4.12 15 0.84 2.02 ++ +++++ +++++* ++ peak 8128 Upper HA LEU 73 - QD2 LEU 73 3.36 14 0.62 0.74 +++ ++*++ ++++ ++ peak 1783 Upper HB2 LEU 73 - H MET 83 4.91 14 1.06 2.57 ++ + +++ *+++++ ++ peak 1076 Upper HB3 LEU 73 - HD3 PRO 75 5.08 10 0.71 1.73 ++*+++ + ++ + peak 2681 Upper HB3 LEU 73 - HG2 MET 83 4.77 16 0.72 1.50 ++ +++++++*++++ ++ peak 2961 HG2 MET 83 - QD2 LEU 87 Upper HB3 LEU 73 - HG3 MET 83 5.05 6 0.31 1.00 + + *++ + peak 1898 Upper HG LEU 73 - QD2 LEU 387 3.11 20 2.04 3.63 ++++*+++++++++++++++ peak 8229 Upper QD1 LEU 73 - H MET 83 5.16 7 0.45 0.97 + * + +++ + peak 1073 Upper QD1 LEU 73 - HA MET 83 4.58 13 0.69 1.30 ++ ++* ++ +++++ + peak 1924 Upper QD1 LEU 73 - H LEU 86 5.17 13 0.70 1.49 ++++ * + +++++ ++ peak 1100 Upper QD1 LEU 73 - QD1 LEU 87 2.92 12 0.66 1.68 ++++ + +++ +++ * peak 3115 Upper QD1 LEU 73 - QG1 VAL 377 3.02 20 2.14 3.75 ++++*+++++++++++++++ peak 8196 Upper QD1 LEU 73 - QD1 LEU 384 2.73 17 2.86 4.16 ++++++ *++ ++++++++ peak 8312 Upper QD1 LEU 73 - HG LEU 387 3.40 19 1.58 3.57 +++++*+++++++++ ++++ peak 8278 Upper QD1 LEU 73 - QD1 LEU 387 3.02 18 1.16 2.22 +++++*+++++++ ++ +++ peak 8270 Upper QD2 LEU 73 - HA LEU 86 5.23 9 0.57 1.17 + + + ++ + *+ + peak 1785 Upper QD2 LEU 73 - HB3 LEU 86 4.07 15 0.83 1.84 ++*+++++ ++ ++ +++ peak 3065 Upper QD2 LEU 73 - QD1 LEU 86 2.98 13 0.79 1.85 ++*+ + + + ++ ++++ peak 3068 Upper QD2 LEU 73 - QD1 LEU 384 3.83 16 2.69 3.97 ++++ + *++ ++++++++ peak 3067 Upper QD2 LEU 73 - QD2 LEU 386 3.93 17 1.66 4.01 ++ +*+++++++++++ ++ peak 8187 Upper QD2 LEU 73 - QD1 LEU 387 3.74 15 0.85 1.71 + ++*+++++++ ++ ++ peak 8186 Upper H ARG 74 - H GLU 76 4.81 16 0.96 2.60 ++++ + +++ ++++*+++ peak 292 Upper HA PRO 75 - HB2 LYS 80 3.45 8 0.64 2.26 + +++ + *+ + peak 2692 Upper HA GLU 76 - HG3 GLU 76 3.40 6 0.44 0.73 ++ ++ +* peak 2743 Upper HA GLU 76 - QG2 VAL 77 4.31 17 0.85 1.09 ++++ + +++++++++*++ peak 1736 Upper QB GLU 76 - QG2 VAL 77 3.61 18 1.40 1.86 ++++ ++++++ +++++*++ peak 1731 Upper HG2 GLU 76 - H ARG 78 4.62 13 0.66 1.04 ++++ + *+ ++++++ peak 1023 Upper HG3 GLU 76 - QG2 VAL 77 3.97 12 0.71 1.69 ++ + ++ * ++++++ peak 8159 Upper H VAL 77 - HB3 ARG 78 4.02 14 0.77 1.45 + ++++++ +++ ++ +* peak 1019 Upper HB VAL 77 - HB3 ARG 78 4.22 17 0.95 1.99 ++++ + ++* +++++++++ peak 2776 Upper QG1 VAL 77 - H TRP 372 4.08 20 5.34 6.99 +++++++++++++++++*++ peak 8204 Upper QG1 VAL 77 - QD1 LEU 373 3.02 20 2.44 3.23 +++++*++++++++++++++ peak 8196 Upper H ARG 78 - HG2 MET 83 4.69 20 1.03 1.37 +*++++++++++++++++++ peak 1022 Upper HB3 ARG 78 - H MET 83 3.95 20 1.64 2.36 +*++++++++++++++++++ peak 1077 Upper HD2 ARG 78 - QE MET 83 3.91 6 0.26 0.96 + + *+ + + peak 1642 Upper H SER 79 - H GLN 82 3.98 19 1.48 1.88 ++++ +++++++++*+++++ peak 340 Upper H SER 79 - QG GLN 82 3.68 6 0.50 1.04 + ++ ++* peak 1031 Upper HB2 LYS 80 - H GLU 81 3.11 11 0.62 1.17 + + ++++ + +*+ + peak 1049 Upper H GLU 81 - QD1 LEU 84 4.55 8 0.49 1.13 + + ++++ * + peak 1046 Upper HB3 GLU 81 - H GLN 82 3.50 9 0.57 0.85 ++ + + ++ + + * peak 1062 Upper H GLN 82 - HG2 GLU 85 3.41 6 0.49 1.26 ++ * + + + peak 1057 Upper HA GLN 82 - H GLU 85 3.73 14 0.80 1.29 +*+ + ++ ++++++ ++ peak 385 Upper HA GLN 82 - H LEU 86 4.68 7 0.43 1.16 + *++ ++ + peak 381 Upper HA MET 83 - QE MET 83 3.56 7 0.58 0.81 + +++ +* + peak 1640 Upper HA MET 83 - QD1 LEU 84 3.12 18 1.10 1.84 ++ ++++++++++*+++ ++ peak 8316 Upper HB2 MET 83 - QB LEU 84 4.10 13 0.68 1.22 +++ +++ ++ ++ *+ + peak 3000 Upper QB LEU 84 - HA VAL 88 4.43 20 2.10 3.07 +++*++++++++++++++++ peak 3138 Upper QB LEU 84 - HB VAL 88 4.16 14 1.08 2.96 ++++ + +++ ++++ +* peak 3001 Upper QB LEU 84 - HA ARG 366 4.22 20 4.14 5.32 *+++++++++++++++++++ peak 8248 Upper QD1 LEU 84 - HG2 GLU 85 4.31 20 1.04 1.59 ++++++++++*+++++++++ peak 3029 Upper QD1 LEU 84 - QD1 LEU 373 2.73 6 0.88 4.01 *+++ + + peak 8312 Upper QD1 LEU 84 - QD2 LEU 373 3.83 8 0.89 3.41 ++*+ + + + + peak 3067 Upper H GLU 85 - QG2 VAL 88 4.62 7 0.41 1.73 + + * + +++ peak 1089 Upper HA GLU 85 - H VAL 88 4.03 10 0.59 1.38 +* + ++ +++ + + peak 372 Upper HA GLU 85 - QG1 VAL 88 3.76 15 0.90 1.74 ++++ * +++ +++++ ++ peak 3032 Upper QB GLU 85 - QG1 VAL 88 4.59 16 1.09 1.87 +++++* +++ +++++ ++ peak 3033 Upper HG3 GLU 85 - QD1 LEU 86 4.04 10 0.55 1.74 + + +* ++++++ peak 3057 Upper H LEU 86 - QD2 LEU 87 4.56 6 0.35 1.31 + + + + * + peak 1097 Upper HA LEU 86 - H LEU 89 4.40 8 0.46 1.01 + ++ *+ +++ peak 3088 Upper QD2 LEU 86 - QD1 LEU 87 2.40 15 0.72 1.25 +*++++ ++ +++++ ++ peak 3049 Upper QD2 LEU 86 - QD2 LEU 373 3.93 20 2.95 4.11 +++++++*++++++++++++ peak 8187 Upper H LEU 87 - HA VAL 88 3.93 20 1.36 1.69 +*++++++++++++++++++ peak 376 Upper HA LEU 87 - QD2 LEU 87 3.16 15 0.70 0.97 +*++ + +++ +++++ ++ peak 847 Upper HG LEU 87 - QD1 LEU 373 3.40 20 2.45 3.33 +++++*++++++++++++++ peak 8278 Upper QD1 LEU 87 - QD1 LEU 373 3.02 20 1.81 2.88 +++++*++++++++++++++ peak 8270 Upper QD1 LEU 87 - QD2 LEU 373 3.74 16 1.08 2.47 + +++++++++ +++*+ + peak 8186 Upper QD2 LEU 87 - H GLU 90 4.96 17 1.33 2.04 ++++ * +++++++++ +++ peak 3092 Upper QD2 LEU 87 - HE3 TRP 372 4.19 20 2.55 3.57 +++++++++++*++++++++ peak 8228 Upper QD2 LEU 87 - HZ2 TRP 372 3.94 6 1.15 5.61 +*+ + + + peak 8227 Upper QD2 LEU 87 - HG LEU 373 3.11 20 2.54 3.71 +++++++++++*++++++++ peak 8229 Upper QG1 VAL 88 - QD1 LEU 362 3.35 20 2.73 3.52 *+++++++++++++++++++ peak 8300 Upper QG1 VAL 88 - QD1 LEU 365 3.65 15 1.29 3.04 + ++*+++++++++ ++ peak 8282 Upper QG2 VAL 88 - H GLN 91 3.93 20 1.04 1.49 +++++++++++++++++++* peak 1160 Upper QG2 VAL 88 - HG2 PRO 112 3.54 10 0.92 2.71 + +++ * + ++++ peak 3149 Upper QG2 VAL 88 - HG3 PRO 112 4.28 14 0.93 2.12 ++ ++++++++ *+++ peak 3778 Upper H LEU 89 - QD PHE 92 4.85 19 1.02 1.83 ++ ++++++++++++++*++ peak 468 Upper H LEU 89 - HG3 PRO 112 4.67 8 0.55 1.30 + +* +++ + + peak 3813 Upper HG LEU 89 - H GLU 90 3.93 11 0.70 1.66 ++++++ + +++ * peak 1145 Upper QD2 LEU 89 - HG3 PRO 112 3.34 6 0.52 1.65 + * + + ++ peak 3776 Upper QD2 LEU 89 - H ALA 115 3.70 15 0.82 1.60 +++ +++ ++ +++++ *+ peak 1287 Upper QD2 LEU 89 - QB ALA 115 2.89 13 0.79 2.34 ++ ++++++ ++++ * peak 1680 Upper QD2 LEU 89 - H ALA 116 4.39 19 1.39 2.97 ++++++++++ ++++++*++ peak 979 Upper H GLU 90 - HD3 PRO 112 4.88 11 0.75 2.28 + + +++ + + + + +* peak 411 Upper H GLN 91 - QD PHE 92 4.79 18 1.00 1.24 ++++*+ +++ +++++++++ peak 1149 Upper HG2 GLN 91 - QD1 LEU 365 4.15 16 3.11 4.58 ++++ * +++ ++++++++ peak 8284 Upper HG3 GLN 91 - QD2 LEU 365 3.85 17 3.78 5.56 ++++ +++++ +++*++++ peak 8294 Upper QD PHE 92 - QG1 VAL 119 4.13 7 0.43 1.18 +++ + * + + peak 151 Upper QD PHE 92 - QB ALA 361 3.25 20 3.48 4.94 +++++++++++++++*++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.39 16 1.66 2.76 +++* + +++ ++++++++ peak 8215 Upper QD PHE 92 - QD1 LEU 365 3.30 20 2.55 3.55 +++++++++++++++*++++ peak 8289 Upper QE PHE 92 - QB ALA 95 4.22 11 0.68 2.85 + + *++++ + + ++ peak 160 Upper QE PHE 92 - H ALA 117 4.49 7 0.66 1.73 + + + + ++ * peak 130 Upper QE PHE 92 - H VAL 119 4.57 14 0.75 1.46 + +++ ++++++ +++* peak 131 Upper QE PHE 92 - QB ALA 361 3.19 20 3.29 4.52 +++++++++++++++*++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.80 20 1.41 2.67 +++++++++++*++++++++ peak 8216 Upper HZ PHE 92 - HG LEU 118 4.16 18 1.32 2.95 +++ +++++++++++ *+++ peak 171 Upper HZ PHE 92 - HB VAL 119 4.66 15 0.92 2.58 +++ +++ +++ ++ *+++ peak 3966 Upper HZ PHE 92 - QG2 VAL 119 3.75 6 0.41 1.77 + + + + + * peak 181 Upper HZ PHE 92 - QD1 LEU 362 3.71 18 2.60 4.25 +*++++++++ ++++++++ peak 8306 Upper H LEU 93 - HG LEU 93 3.72 10 0.44 1.09 ++ ++*++ + + + peak 3285 Upper H LEU 93 - HA3 GLY 94 4.90 6 0.54 0.86 + *+ ++ + peak 3309 Upper HA LEU 93 - HG LEU 96 4.26 8 0.43 1.49 + + ++ + + + * peak 3330 Upper QD1 LEU 93 - H GLY 94 4.17 9 0.60 1.49 ++ + * +++ + + peak 1179 Upper QD1 LEU 93 - H ALA 115 5.03 12 0.81 1.64 +++ +* ++ + + +++ peak 3299 Upper QD2 LEU 93 - HA LEU 96 4.50 17 1.16 2.67 ++++ *++++++++ ++++ peak 3288 Upper QD2 LEU 93 - HA GLN 105 3.75 6 0.62 2.84 + + *+ + + peak 3278 Upper H GLY 94 - HE22 GLN 101 4.66 15 0.90 1.81 ++ +*++ + ++ + +++++ peak 433 Upper HA3 GLY 94 - QB ALA 95 4.36 14 0.58 0.67 ++++ +++ ++*++ ++ peak 1715 Upper HA3 GLY 94 - HB2 LEU 96 4.70 8 0.55 1.57 + ++ ++ + + * peak 3340 Upper QB ALA 95 - QD PHE 350 3.02 20 3.34 5.76 +++++*++++++++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.34 17 3.03 4.41 ++++ + ++++++++*+++ peak 8164 Upper QB ALA 95 - QB TYR 352 4.18 16 1.74 3.46 ++++ * +++ ++++++++ peak 2059 Upper QB ALA 95 - QD TYR 352 3.68 16 2.75 4.33 ++++ * +++ ++++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.34 18 3.36 4.83 +++* ++++++++++++++ peak 8176 Upper H LEU 96 - HG LEU 96 3.38 6 0.42 1.60 + + +++ * peak 1185 Upper H LEU 96 - HA GLN 101 4.86 12 0.88 2.38 ++ ++*+ ++ ++ ++ peak 462 Upper HA LEU 96 - HG2 PRO 97 3.73 13 0.64 0.78 ++++ ++++ +++ +* peak 3408 Upper HB3 LEU 96 - HE22 GLN 101 4.92 11 0.74 1.53 ++++ +++ + ++ * peak 1208 Upper QD1 LEU 96 - HB ILE 100 4.44 12 0.65 1.52 *+++ +++ ++ ++ + peak 3463 Upper QD1 LEU 96 - H ALA 102 5.17 9 0.44 0.96 + ++ + + ++* + peak 1212 Upper QD1 LEU 96 - H GLN 105 4.70 13 0.66 1.27 +++++ +*++ + +++ peak 1220 Upper QD2 LEU 96 - HG2 PRO 97 4.44 8 0.42 0.88 ++ + + + *++ peak 1748 Upper QD2 LEU 96 - H ILE 100 4.86 16 0.69 1.12 ++++ + +++ ++++++*+ peak 284 Upper QD2 LEU 96 - QG2 ILE 100 3.23 17 0.94 1.26 ++++ *++++ ++++++++ peak 3465 Upper QD2 LEU 96 - QB TYR 352 4.18 19 1.96 2.80 +++++++++++++*+++ ++ peak 8179 Upper QD2 LEU 96 - QD TYR 352 3.70 19 2.06 2.89 +++++*+++++++++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.90 18 2.25 2.91 ++++++ +++++++++++* peak 8182 Upper HB2 PRO 97 - HB ILE 100 5.37 20 0.96 1.21 +++++++++++++*++++++ peak 3458 Upper HB2 PRO 97 - QD1 ILE 100 4.48 12 0.64 1.34 +++ +++ + ++*+ + peak 2727 Upper HA PRO 98 - HA GLN 101 4.56 16 0.94 1.31 ++++ + +++ ++++++*+ peak 3433 Upper HD3 PRO 98 - H ILE 100 4.01 20 0.72 1.01 ++++*+++++++++++++++ peak 245 Upper QG GLU 99 - HG12 ILE 100 3.68 17 1.03 1.34 +*++ +++++++++++++ peak 2230 Upper HA ILE 100 - H VAL 104 3.88 7 0.52 1.14 + +*+ ++ + peak 737 Upper HB ILE 100 - H GLN 101 3.23 13 0.65 1.01 *++ +++ ++++ + ++ peak 1136 H LEU 89 - HG3 PRO 112 Upper HG12 ILE 100 - HG3 GLN 101 3.63 19 1.53 2.32 ++++++++++++++++++* peak 3476 Upper QD1 ILE 100 - HB2 GLN 101 3.24 16 0.85 1.37 ++++ + +++ +++++++* peak 2725 QD1 ILE 100 - HG3 GLN 101 Upper QD1 ILE 100 - HA ARG 123 4.58 7 0.48 1.29 + + ++ +* + peak 3484 Upper QD1 ILE 100 - QD TYR 352 4.11 20 2.16 3.30 +++++*++++++++++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.73 20 2.48 3.14 +++++++++++++++*++++ peak 8114 Upper QD1 ILE 100 - HG2 PRO 358 3.84 18 4.68 6.65 +++++ ++++++++++++* peak 8117 Upper QD1 ILE 100 - HG3 PRO 358 3.84 19 3.87 5.36 +++++ ++++++++++++*+ peak 8116 Upper H GLN 101 - HG2 GLN 101 3.81 12 0.53 0.81 ++ ++* +++++ ++ peak 4109 Upper H GLN 101 - HE22 GLN 101 5.41 15 0.64 0.85 ++++++* ++ + ++++ + peak 482 Upper HA GLN 101 - HE22 GLN 101 4.97 18 0.76 0.89 +++++++++* ++++++++ peak 477 Upper HG2 GLN 101 - QB ALA 102 3.94 7 0.53 1.15 + + + +++ * peak 4097 QB ALA 102 - QG GLN 105 Upper HG3 GLN 101 - QB ALA 102 4.48 10 0.72 1.61 + ++++ ++ + + * peak 4091 Upper HA ALA 102 - H GLY 106 5.10 8 0.54 0.94 +++ *+ + ++ peak 522 Upper HA ARG 103 - QQG VAL 104 3.90 11 0.61 0.89 + ++ +*+++ + + + peak 3578 Upper H VAL 104 - HB VAL 104 2.88 6 0.23 0.73 + + ++ +* peak 728 Upper HA VAL 104 - QD2 LEU 118 3.96 9 0.56 1.40 + + +*+ ++ ++ peak 3938 Upper QQG VAL 104 - HE21 GLN 107 3.77 7 0.43 1.27 ++ + + *+ + peak 1240 HE21 GLN 107 - QD2 LEU 118 Upper QQG VAL 104 - HB3 LEU 118 3.36 9 0.48 1.35 *+++ ++ + + + peak 3593 Upper QB GLN 107 - H LEU 118 4.68 15 0.90 1.58 +++* + +++ ++++++ + peak 3622 Upper QG GLN 107 - H VAL 119 4.29 15 0.90 1.38 ++ ++++ ++++ + +++* peak 1308 Upper HA PRO 109 - H ALA 115 4.43 15 0.78 1.20 ++++*+ +++ ++++ ++ peak 573 Upper H GLY 110 - H ALA 115 5.16 11 0.69 1.53 ++++ +* +++++ peak 540 Upper HB2 PRO 112 - QD1 LEU 362 4.17 20 1.64 2.79 ++++++*+++++++++++++ peak 8265 Upper HB2 PRO 112 - QD2 LEU 362 3.97 17 0.96 2.40 ++++ *++++++++++ ++ peak 8264 Upper HB3 PRO 112 - QD1 LEU 362 4.32 17 2.37 3.79 *+++ +++++ ++++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.14 17 1.67 2.66 ++++ *++++ ++++++++ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 4.00 20 1.61 3.18 +++++*++++++++++++++ peak 8268 Upper H GLU 113 - HA GLU 114 4.39 17 0.77 1.04 *+++ + ++++++++++ ++ peak 3875 Upper HA GLU 113 - H ALA 115 4.07 7 0.43 1.29 ++* + ++ + peak 567 Upper HG2 GLU 113 - H GLU 114 4.34 8 0.53 1.22 * ++++ +++ peak 3817 Upper HG3 GLU 113 - H GLU 114 4.40 17 0.89 1.39 *++++++++++++++ ++ peak 3819 Upper HG3 GLU 113 - QB ALA 116 4.51 15 0.97 1.95 ++ ++++++* ++ +++ + peak 3839 Upper H GLU 114 - HG2 GLU 114 3.42 7 0.57 1.24 +++*+ + + peak 1276 Upper HA GLU 114 - HG2 GLU 114 3.34 13 0.66 0.83 ++++ + +++ ++ +* + peak 504 Upper HA GLU 114 - H ALA 116 3.61 10 0.64 1.37 ++ + ++++++* peak 3874 Upper HA GLU 114 - H ALA 117 3.70 8 0.52 1.30 * + + +++++ peak 577 Upper QB GLU 114 - H ALA 117 4.06 19 1.46 2.40 ++++++ +++++++++++*+ peak 1292 Upper HG3 GLU 114 - H ALA 117 4.41 10 0.89 2.06 + + + ++ + + ++* peak 1291 Upper QB ALA 115 - H ALA 117 3.72 10 0.82 1.88 + ++++ + +*++ peak 1295 Upper H ALA 116 - QB ALA 117 3.81 10 0.56 0.92 + * + +++ + ++ + peak 1693 Upper H ALA 116 - HG LEU 118 3.78 9 0.55 1.11 ++ + ++* + ++ peak 974 Upper HA ALA 116 - H ASP 120 4.05 10 0.57 1.35 + + + + + ++*++ peak 624 Upper HA ALA 116 - HB2 PRO 358 4.33 20 2.63 3.77 ++++++*+++++++++++++ peak 8259 Upper HA ALA 116 - HB3 PRO 358 3.72 20 2.87 3.77 +++++++++++*++++++++ peak 8252 Upper QB ALA 116 - HB2 PRO 358 4.47 7 0.62 2.95 ++* ++ + + peak 8262 Upper QB ALA 116 - HB3 PRO 358 3.94 12 0.70 2.20 + ++++*+ ++ + + + peak 8257 Upper QB ALA 116 - H GLN 359 3.58 18 2.34 3.29 +++++ +++++++++++*+ peak 8135 Upper H ALA 117 - HB2 ASP 120 4.69 16 0.95 2.11 + ++ +++++ +++++*++ peak 1289 Upper HA ALA 117 - H ASP 120 3.57 7 0.36 0.83 + ++ + *+ + peak 625 Upper HA ALA 117 - HB2 ASP 120 3.57 6 0.39 1.22 + ++ +* + peak 3900 Upper HA ALA 117 - HB3 ASP 120 3.58 10 0.61 1.82 ++++ ++ +*+ + peak 1485 Upper QB ALA 117 - HB2 ASP 120 4.40 13 0.81 1.56 ++++ + +*+ +++ + + peak 1490 Upper QB ALA 117 - HB3 ASP 120 4.32 14 0.92 2.05 ++++ + ++++++*+ + peak 1487 Upper HA LEU 118 - QD2 LEU 118 2.75 14 0.89 1.38 *+++ +++ ++++ +++ peak 887 Upper HB2 LEU 118 - H VAL 119 3.39 7 0.49 1.04 + + + + ++* peak 1310 Upper HB2 LEU 118 - H GLY 121 4.74 15 0.90 1.97 +++++++++ ++ *+++ peak 3907 Upper HB3 LEU 118 - HG LEU 122 4.19 6 0.50 1.19 * + + + + + peak 4017 Upper HG LEU 118 - HA VAL 119 4.42 6 0.36 1.26 ++* + + + peak 3943 Upper H VAL 119 - HA ASP 120 4.69 12 0.61 0.82 ++ + +*+++++++ peak 626 Upper HA VAL 119 - HB3 LEU 122 4.63 6 0.36 1.08 ++ ++ * + peak 1879 Upper QG1 VAL 119 - H LEU 122 4.72 9 0.64 0.99 ++ ++ + +* + + peak 1328 Upper QG2 VAL 119 - QD ARG 123 3.62 12 0.77 1.75 ++++ +*+ ++ ++ + peak 4025 Upper QG2 VAL 119 - QE TYR 352 3.65 19 2.56 3.92 ++++++++++*++++++ ++ peak 8189 Upper H GLY 121 - HB2 LEU 122 4.33 12 0.66 1.61 ++++ ++++ + + + * peak 1319 Upper H GLY 121 - QD1 LEU 122 4.18 8 0.55 1.65 ++ + + +++* peak 1322 Upper HA LEU 122 - QD1 LEU 122 3.46 6 0.50 0.64 + +++ + * peak 933 Upper HA LEU 122 - QD2 LEU 122 2.84 11 0.45 0.91 +++++*+++ + + peak 565 Upper QD2 LEU 122 - H ARG 124 3.48 8 0.43 1.13 + + ++ ++ + * peak 3079 Upper HB3 GLU 341 - HE1 TRP 372 4.94 8 0.57 1.09 + * ++ + + ++ peak 264 Upper HA ALA 343 - QD2 LEU 368 4.29 9 0.53 1.56 ++++ +++ + * peak 1582 Upper QB ALA 343 - QB ARG 346 3.76 10 0.54 1.08 + * + + + + ++++ peak 1627 Upper QB ALA 343 - QD2 LEU 368 3.39 15 0.87 1.58 ++*+++ + +++++ + ++ peak 2504 Upper QB ALA 343 - HD1 TRP 372 3.17 20 1.23 1.60 +++++++++++++++*++++ peak 223 Upper QB ALA 343 - HE1 TRP 372 5.13 15 1.02 1.59 ++++ +++ ++++*+++ peak 258 Upper HG3 ARG 344 - HZ2 TRP 372 4.31 12 0.77 1.69 ++++ + ++ +++*+ peak 199 Upper HD2 ARG 344 - HB2 LEU 345 4.15 15 0.92 2.87 ++++++ +*+ + +++++ peak 1818 Upper HD2 ARG 344 - HH2 TRP 372 4.35 19 1.34 2.19 ++++ +++++++++++*+++ peak 184 Upper HD3 ARG 344 - HH2 TRP 372 4.23 11 0.64 1.41 + ++ + ++ * + +++ peak 200 Upper HA LEU 345 - H CYS 349 4.31 13 0.73 1.35 + +*++ + ++ +++++ peak 759 Upper H ARG 346 - QD2 LEU 368 4.30 16 0.89 1.44 +++ ++*++++++++ ++ peak 668 Upper QD PHE 347 - QD ARG 348 4.58 7 0.47 1.69 ++ + + + + * peak 1981 Upper QD PHE 347 - H ARG 370 4.68 12 0.87 1.88 + + + +++ *+ ++ ++ peak 97 Upper QD PHE 347 - QG1 VAL 388 4.75 7 0.46 1.22 + ++*+ + + peak 2761 Upper QD PHE 347 - QG2 VAL 388 3.59 16 1.35 2.80 +++++*+++++ ++++ + peak 8237 Upper QE PHE 347 - QD ARG 348 4.79 9 0.52 1.84 ++*+ + + + + + peak 1982 Upper QE PHE 347 - H GLU 390 4.61 16 1.60 2.47 *+++ ++++ ++++++++ peak 402 Upper QE PHE 347 - QB GLU 390 4.97 15 1.69 2.75 *+++ +++ ++++++++ peak 3205 Upper QE PHE 347 - H GLN 391 4.60 15 0.95 1.80 *+++ +++ ++++++++ peak 98 Upper QE PHE 347 - H PHE 392 5.50 8 0.46 1.64 ++++ +*++ peak 425 Upper HZ PHE 347 - HE ARG 348 4.82 15 1.44 3.15 *+++ +++ ++++++++ peak 1346 Upper HZ PHE 347 - QD2 LEU 365 4.17 6 0.39 1.97 +*+ + ++ peak 291 Upper HZ PHE 347 - H CYS 369 4.68 15 0.89 1.71 +++ + ++ +++ +++++* peak 86 Upper HZ PHE 347 - HA CYS 369 4.80 11 0.64 1.63 +++ + ++ + ++* + peak 285 HZ PHE 347 - HB2 PHE 392 Upper HZ PHE 347 - HG LEU 387 3.81 17 1.24 2.82 +++ +++++++++++++ * peak 296 Upper HZ PHE 347 - QD1 LEU 387 4.44 7 0.46 1.53 ++ + + * ++ peak 8274 Upper HZ PHE 347 - HA VAL 388 3.37 7 0.45 1.59 + + ++*+ + peak 88 Upper HZ PHE 347 - QG1 VAL 388 3.76 18 1.40 2.50 ++++ ++*++ +++++++++ peak 293 Upper HZ PHE 347 - QG2 VAL 388 3.73 11 0.75 1.80 ++ + +* + + +++ + peak 294 Upper HZ PHE 347 - H GLN 391 4.22 14 1.10 2.62 ++++ +++ ++*+ +++ peak 1150 Upper HZ PHE 347 - HA GLN 391 4.42 12 1.10 3.31 + ++ ++ +*+++++ peak 87 Upper HZ PHE 347 - HG3 GLN 391 4.24 6 0.44 1.65 + + ++* + peak 295 Upper HA ARG 348 - HE21 GLN 391 4.65 6 0.38 1.75 + + + ++ * peak 414 Upper QG ARG 348 - HE21 GLN 391 4.31 7 0.51 1.34 + ++ * + + + peak 1064 HE21 GLN 391 - QB ALA 395 Upper HA CYS 349 - HE21 GLN 391 5.47 14 1.18 2.75 *+++ +++ ++++ +++ peak 416 HE21 GLN 391 - HA ALA 395 Upper H PHE 350 - QD2 LEU 365 4.28 10 0.56 1.56 +* + +++++++ peak 779 Upper H PHE 350 - QD1 LEU 368 4.43 14 0.74 1.31 ++ + ++++ +++ ++*+ peak 2509 Upper H PHE 350 - HG2 GLN 391 4.64 18 1.87 3.54 +++++ ++++ +++++*+++ peak 776 Upper HA PHE 350 - QB ALA 395 4.26 6 0.35 1.14 + + *+++ peak 1717 HA TYR 352 - QB ALA 395 Upper HB2 PHE 350 - QB ALA 395 4.71 16 1.33 3.58 ++++ ++++ ++++++*+ peak 1714 Upper HB3 PHE 350 - QB ALA 395 4.79 15 1.35 2.94 ++++ + +*+ ++ +++++ peak 2008 Upper QD PHE 350 - HB3 GLN 364 3.90 14 0.86 1.37 ++ ++ + ++ + +++++* peak 276 QD PHE 350 - HB2 LEU 368 Upper QD PHE 350 - HG LEU 365 3.49 10 0.74 1.57 +* +++ +++ + + peak 283 QD PHE 350 - QD2 LEU 368 Upper QD PHE 350 - QD1 LEU 365 3.56 12 0.55 1.03 ++ ++*+ +++ + ++ peak 284 Upper QD PHE 350 - QD1 LEU 368 3.16 7 0.68 1.51 ++ + + + + * peak 279 Upper QD PHE 350 - HA PHE 392 4.37 15 0.83 1.79 +++++ + ++ +++++*+ peak 3240 Upper QD PHE 350 - QB ALA 395 3.01 14 0.90 2.64 ++++ + +++ + +++*+ peak 278 Upper QE PHE 350 - QD TYR 352 3.46 18 1.32 2.57 ++ ++*++++++++++++ + peak 60 Upper QE PHE 350 - HG LEU 365 4.06 11 0.77 1.91 +*+ + +++ + ++ + peak 270 QE PHE 350 - QD2 LEU 368 Upper QE PHE 350 - QD1 LEU 368 3.94 19 1.18 2.47 ++++++++++++++++ *++ peak 269 Upper H HIS 351 - QB ALA 395 5.08 10 0.73 1.86 + + ++ + +++*+ peak 787 Upper HA HIS 351 - QB ALA 395 3.68 6 0.44 1.52 + + + *++ peak 1718 Upper HB2 HIS 351 - QB ALA 395 5.20 17 1.15 2.42 ++++ +++++ +++++*++ peak 2051 Upper HB3 HIS 351 - QB ALA 395 3.77 20 1.84 3.19 ++++++++++++++++*+++ peak 8174 Upper HD2 HIS 351 - HA TYR 352 4.28 13 0.80 1.97 + ++ ++ ++++ +*++ peak 69 Upper HE1 HIS 351 - HD2 PRO 397 5.27 16 1.72 4.12 ++++ +++ ++++++*++ peak 255 Upper H TYR 352 - HG LEU 396 5.22 18 2.66 4.51 +++++ ++++ +++++++*+ peak 793 Upper H TYR 352 - HD2 PRO 397 5.06 15 1.41 4.29 ++++ +++ ++++++*+ peak 789 Upper HA TYR 352 - QB ALA 395 3.96 9 0.64 1.62 + + + + + *+++ peak 8166 Upper QB TYR 352 - QD2 LEU 396 4.27 7 0.40 1.46 ++ * + + ++ peak 1749 Upper QD TYR 352 - QG GLU 354 3.32 6 0.62 1.93 +*++ + + peak 243 Upper QD TYR 352 - H THR 356 4.34 12 0.67 2.65 ++++ + +++ +++* peak 63 Upper QD TYR 352 - QB ALA 361 2.84 15 1.08 1.97 ++++ +++ ++++ ++*+ peak 244 Upper QD TYR 352 - HB3 LEU 396 3.49 7 0.30 0.77 * ++ + ++ + peak 249 QD TYR 352 - QD1 ILE 400 Upper QD TYR 352 - QD1 LEU 396 4.32 6 0.37 1.08 + ++ ++* peak 251 Upper QD TYR 352 - HG3 PRO 397 3.56 15 1.02 3.39 ++++++ + +++ +++*+ peak 245 Upper QD TYR 352 - QG2 VAL 419 3.77 17 1.04 1.67 ++*++ +++++++++ + ++ peak 250 Upper QE TYR 352 - QB GLU 354 3.38 12 0.71 1.26 + + ++ ++*+ ++++ peak 232 Upper QE TYR 352 - H ALA 361 4.72 19 1.17 2.01 +++++++++++++++++*+ peak 871 Upper QE TYR 352 - QB ALA 361 2.93 18 2.04 2.91 ++++++++++ ++++++*+ peak 233 Upper QE TYR 352 - QD PHE 392 4.66 15 1.31 2.68 + *+++++ +++ +++++ peak 140 Upper QE TYR 352 - QE PHE 392 4.04 10 0.69 1.98 + +++* + + +++ peak 109 Upper QE TYR 352 - HZ PHE 392 4.30 17 1.34 2.07 +++*+ +++ + ++++++++ peak 115 Upper QE TYR 352 - HG12 ILE 400 4.23 7 0.35 1.16 *+ + ++++ peak 234 Upper QG GLU 353 - QB ALA 355 3.51 11 0.61 1.05 + +*+ ++ + ++++ peak 1710 Upper HA ALA 355 - QG2 THR 356 4.28 19 0.81 1.13 +++++*+++++++++++ ++ peak 2114 Upper HB THR 356 - HG2 GLU 360 4.22 19 0.88 1.19 +++++* +++++++++++++ peak 2104 Upper QG2 THR 356 - QB ALA 361 3.54 9 0.53 1.00 +* +++ ++++ peak 1600 QB ALA 361 - HB3 LEU 362 Upper QG2 THR 356 - QB ALA 361 3.60 12 0.72 1.38 ++* +++ ++++ ++ peak 1768 Upper QG2 THR 356 - H LEU 362 5.06 18 1.09 1.52 +++++ +++++*+++++++ peak 1774 Upper QG2 THR 356 - HE21 GLN 364 3.68 6 0.58 1.32 * ++ + ++ peak 1772 Upper H GLY 357 - HG3 GLU 360 4.75 6 0.45 0.81 + + * + + + peak 824 Upper HA3 GLY 357 - H GLN 359 4.54 6 0.41 1.21 + + + *+ + peak 170 Upper HA PRO 358 - H LEU 362 4.82 6 0.40 1.21 ++ * + + + peak 875 Upper HA PRO 358 - HZ PHE 392 4.37 11 0.76 1.52 +++++ + +* + + + peak 116 Upper HB2 PRO 358 - H VAL 419 5.29 12 0.70 2.10 + +*+++ ++ + +++ peak 2171 Upper HB3 PRO 358 - HE22 GLN 359 3.76 7 0.44 1.42 + ++* + ++ peak 8254 HB3 PRO 358 - QD PHE 392 Upper HG2 PRO 358 - HB3 ASP 420 3.92 10 0.61 1.45 + +++++ *+++ peak 1486 Upper HG2 PRO 358 - H GLY 421 4.45 20 1.54 3.50 ++++*+++++++++++++++ peak 1317 Upper H GLN 359 - HG2 GLN 359 3.43 13 0.71 1.33 +++ * ++ ++++++ + peak 835 Upper H GLN 359 - HB2 LEU 362 4.88 10 0.61 1.36 * ++++ +++ ++ peak 838 Upper H GLN 359 - QD1 LEU 362 3.98 6 0.40 1.70 + +* + + + peak 8308 Upper HA GLN 359 - HB3 LEU 362 4.02 10 0.58 1.34 + + *++ ++ + + + peak 1873 Upper QB GLN 359 - H ALA 363 4.06 15 0.94 2.14 + ++*+ + +++ ++++++ peak 897 Upper HG2 GLN 359 - QD1 LEU 362 4.82 13 0.80 1.64 ++* +++ +++++++ peak 2208 Upper HE21 GLN 359 - QD1 LEU 362 4.94 6 0.37 1.56 * ++ + + + peak 852 Upper HE21 GLN 359 - QB ALA 417 4.41 6 0.62 2.93 *++ + + + peak 849 Upper HE22 GLN 359 - QD1 LEU 362 4.78 12 1.00 2.30 ++ ++* +++++ ++ peak 857 Upper HE22 GLN 359 - QB ALA 416 3.81 6 0.36 1.11 * + ++++ peak 856 Upper HE22 GLN 359 - QB ALA 417 4.63 12 0.79 2.47 + ++++++*+ ++ + peak 855 Upper H GLU 360 - HA ALA 361 4.54 18 0.83 1.04 ++++ +*++++++++++++ peak 2256 Upper HB3 GLU 360 - H ALA 361 3.58 8 0.57 0.93 +++ ++ * ++ peak 2252 Upper HB3 GLU 360 - QB ALA 363 3.65 16 0.91 2.11 + +++++ +++ + +++++* peak 2234 Upper HG3 GLU 360 - QB ALA 361 4.09 6 0.48 2.01 ++ + + + * peak 1606 Upper H ALA 361 - H ALA 363 3.31 16 0.68 1.03 ++++ * +++ ++++++++ peak 178 Upper H ALA 361 - QE PHE 392 5.09 10 0.58 1.61 + +++* + ++++ peak 869 Upper QB ALA 361 - QE PHE 392 3.31 8 0.56 1.43 + ++*+ ++ + peak 158 QE PHE 392 - HB2 LEU 393 Upper H LEU 362 - HG LEU 362 3.15 12 0.67 1.51 ++*+ ++ +++ ++ + peak 884 Upper H LEU 362 - HA ALA 363 4.23 19 0.91 1.31 ++++++++++ ++++++++* peak 876 Upper H LEU 362 - HG2 GLN 364 5.35 6 0.40 1.43 + * + + ++ peak 879 Upper H LEU 362 - HG3 GLN 364 4.45 7 0.40 0.77 + + ++ + *+ peak 880 Upper H LEU 362 - QE PHE 392 4.66 8 0.42 1.08 ++ + + + + *+ peak 187 Upper HA LEU 362 - HG2 GLN 391 5.43 7 0.58 1.61 + ++ ++ + * peak 3222 Upper HB3 LEU 362 - QB ALA 416 3.66 13 0.66 1.58 +* + ++++ +++ + ++ peak 8139 Upper HG LEU 362 - HG2 GLU 413 5.06 6 0.46 1.84 +++ * + + peak 3840 Upper QD1 LEU 362 - QG1 VAL 388 3.83 6 0.31 1.28 ++ + + + * peak 2270 Upper QD1 LEU 362 - HG3 PRO 412 4.57 7 0.39 1.25 * + + ++ ++ peak 3748 Upper QD1 LEU 362 - HG3 GLU 413 4.54 7 0.34 0.97 ++* + ++ + peak 3835 Upper QD1 LEU 362 - H ALA 415 4.38 9 0.47 1.80 + *+ + + ++ ++ peak 8310 Upper QD2 LEU 362 - QD2 LEU 365 3.81 6 0.43 1.97 + + ++ + * peak 2374 Upper QD2 LEU 362 - QB ARG 366 3.62 19 1.15 2.54 +++++++++++++++ +++* peak 8209 Upper QD2 LEU 362 - HA GLU 413 3.45 20 1.21 1.61 ++*+++++++++++++++++ peak 8213 Upper QD2 LEU 362 - H GLU 414 4.39 20 1.48 2.17 ++++*+++++++++++++++ peak 8217 Upper QD2 LEU 362 - QB ALA 415 4.41 8 0.55 1.24 + ++ +* + + + peak 1678 Upper QD2 LEU 362 - HA ALA 416 5.29 15 0.75 1.55 ++++ + + + ++++*+++ peak 3886 Upper HA GLN 364 - HE21 GLN 364 4.68 8 0.53 0.93 + ++* + + ++ peak 396 Upper HA GLN 364 - HE22 GLN 364 4.93 12 0.73 1.44 + + +++++++ + + * peak 394 Upper HB3 GLN 364 - H LEU 365 3.60 17 0.66 1.00 ++++ ++++ ++++++++* peak 2348 Upper H LEU 365 - HG LEU 365 3.51 7 0.35 0.98 * + +++ + + peak 935 Upper QD1 LEU 365 - H GLU 367 5.20 17 0.89 1.66 +++++ +++ ++++++++* peak 957 Upper QD1 LEU 365 - QB ALA 395 3.86 16 1.06 2.08 ++++ +++ +++++++*+ peak 1712 Upper QD2 LEU 365 - H GLN 391 4.71 12 0.81 1.77 + + * +++ ++ +++ + peak 1153 Upper QD2 LEU 365 - H PHE 392 4.49 6 0.30 1.19 ++ + + +* peak 1171 Upper QD2 LEU 365 - QD PHE 392 4.14 18 1.03 2.08 +*++++ +++ +++++++++ peak 2402 Upper QD2 LEU 365 - QB ALA 395 3.89 16 1.35 2.66 ++++ +++ +++++++*+ peak 8295 Upper HA ARG 366 - QD2 LEU 387 4.15 15 2.11 3.30 ++++ +++ ++*+++++ peak 8226 Upper H GLU 367 - QD2 LEU 368 4.46 9 0.66 1.28 + + ++ +++ +* peak 2531 QD2 LEU 368 - H TRP 372 Upper H GLU 367 - QD2 LEU 368 4.55 10 0.78 1.72 ++ + ++ +++ +* peak 956 Upper H GLU 367 - H ARG 370 4.29 7 0.51 1.20 + +* + + + + peak 195 Upper HA GLU 367 - HD2 ARG 370 4.31 6 0.46 2.36 +*+ + + + peak 2593 Upper HA GLU 367 - HD3 ARG 370 4.60 12 0.76 1.40 ++ + + ++ +++ +* + peak 2591 Upper HA GLU 367 - H GLN 371 4.35 10 0.62 1.32 ++ ++ + ++*++ peak 2481 Upper QD2 LEU 368 - H GLN 371 4.54 10 0.57 1.32 + +++ ++ + + *+ peak 278 Upper H CYS 369 - QG2 VAL 388 3.68 13 0.89 2.27 +++++*+ ++ ++ + + peak 8235 Upper HA CYS 369 - HB3 LEU 373 4.04 10 0.69 1.85 ++ +++ ++ ++ * peak 2555 Upper HA CYS 369 - QG2 VAL 388 4.11 20 1.52 2.53 +++++++*++++++++++++ peak 8233 Upper HB3 CYS 369 - HB3 LEU 373 4.33 15 0.76 1.69 +++ +*++ ++ ++ ++++ peak 2562 Upper QB ARG 370 - H ARG 374 4.01 8 0.49 1.23 + + * + + + + + peak 995 Upper HG3 ARG 370 - H ARG 374 4.94 11 0.55 1.28 + + ++ +++ +*++ peak 2604 Upper HD2 ARG 370 - H ARG 374 5.26 9 0.53 1.46 + +* + + ++ + + peak 2606 Upper HD2 ARG 370 - QD1 LEU 384 4.45 13 0.76 1.77 + + ++* +++ + +++ + peak 2570 Upper HD3 ARG 370 - H ARG 374 5.01 9 0.56 1.43 + ++ + +++*+ peak 2605 Upper H GLN 371 - QG ARG 374 4.17 13 1.01 1.73 + + + ++++++++ + * peak 286 Upper H GLN 371 - QD1 LEU 384 4.66 10 0.76 1.96 + +*+ +++ ++ + peak 277 Upper QB GLN 371 - H LEU 373 4.58 18 0.92 1.25 +++++++ ++++++++* ++ peak 751 Upper HB2 TRP 372 - HZ3 TRP 372 4.00 20 0.89 1.18 ++++++++++++++++++*+ peak 212 Upper HB3 TRP 372 - H ARG 374 4.89 18 0.88 1.40 +++++ *++++++++++ ++ peak 993 Upper HD1 TRP 372 - H LEU 373 4.24 11 0.59 1.35 * ++ ++ +++++ + peak 316 Upper HD1 TRP 372 - HB3 LEU 373 3.94 19 0.99 1.63 +++++++++++++++* +++ peak 225 Upper HD1 TRP 372 - QD2 LEU 373 4.25 19 1.62 2.68 ++*++++++ ++++++++++ peak 227 Upper HE1 TRP 372 - QD2 LEU 373 5.03 6 0.27 0.94 * ++ ++ + peak 262 Upper HZ2 TRP 372 - HB3 LEU 373 3.91 6 0.43 1.60 + + + + + * peak 191 Upper HZ2 TRP 372 - HB2 LEU 386 5.00 16 1.50 2.61 ++++ *++ +++++++++ peak 3074 HH2 TRP 372 - HB2 LEU 386 Upper HZ2 TRP 372 - HG LEU 386 3.93 16 1.96 4.18 ++++ ++++*+++++++ peak 190 Upper HZ2 TRP 372 - QD1 LEU 386 4.64 12 0.95 2.64 ++ +++ +*+ ++++ peak 3081 Upper HH2 TRP 372 - HB3 LEU 386 4.79 18 1.76 3.09 +++++ ++*+ +++++++++ peak 3072 Upper HH2 TRP 372 - HA LEU 387 3.94 14 0.89 2.18 + ++ +++ +++++++* peak 120 Upper H LEU 373 - QD1 LEU 373 3.64 11 0.56 1.20 + + +*+ + ++++ + peak 1928 Upper H LEU 373 - HD3 PRO 375 5.05 6 0.41 1.98 + + ++ + * peak 2703 Upper H LEU 373 - QE MET 383 4.12 14 0.79 1.46 + +++* ++ +++++ + + peak 8128 Upper HA LEU 373 - QD2 LEU 373 3.36 10 0.49 0.76 ++* + ++ ++ ++ peak 1783 Upper HB2 LEU 373 - HD3 PRO 375 4.80 12 0.79 1.72 + ++ ++ ++++*++ peak 2679 HB3 LEU 373 - HD3 PRO 375 Upper HB2 LEU 373 - H MET 383 4.91 13 1.35 3.34 ++++ ++ ++ ++ * ++ peak 1076 Upper HB3 LEU 373 - HD3 PRO 375 5.08 17 1.24 2.55 ++++ ++++ +++++*+++ peak 2681 Upper HB3 LEU 373 - HG2 MET 383 4.77 17 0.89 1.39 +++++ ++*++ +++++++ peak 2961 HG2 MET 383 - QD2 LEU 387 Upper HB3 LEU 373 - HG3 MET 383 5.05 9 0.43 1.47 + ++ + ++* ++ peak 1898 Upper HB3 LEU 373 - QE MET 383 2.71 6 0.57 2.22 + + + + +* peak 8122 HG LEU 373 - QE MET 383 Upper QD1 LEU 373 - QB LEU 384 4.38 10 0.60 1.40 +++ ++ +*+ + + peak 2939 Upper QD1 LEU 373 - HG LEU 384 3.89 16 1.24 2.22 ++*+ + +++ ++++++++ peak 2993 Upper QD1 LEU 373 - QD1 LEU 384 2.74 10 0.47 1.14 ++ +* ++++ + + peak 2997 Upper QD1 LEU 373 - H LEU 386 5.17 6 0.38 1.28 + +* + + + peak 1100 Upper QD2 LEU 373 - QE MET 383 3.35 8 0.54 1.49 + + + +*++ + peak 1782 Upper QD2 LEU 373 - HA LEU 386 5.23 11 0.69 1.77 + + ++++ ++ *++ peak 1785 Upper QD2 LEU 373 - HB3 LEU 386 4.07 13 0.84 1.72 + ++++*++ + +++ + peak 3065 Upper QD2 LEU 373 - QD1 LEU 386 2.98 6 0.39 1.53 + *++ + + peak 3068 Upper HA PRO 375 - HB3 ARG 378 4.44 13 0.84 1.64 + +* ++ ++++++++ peak 2676 Upper HA PRO 375 - HB2 LYS 380 3.45 14 0.95 1.79 + ++ + +* ++++++++ peak 2692 Upper HA PRO 375 - QD1 LEU 384 3.95 12 0.98 2.03 + ++ ++ ++++++ * peak 3007 Upper QB PRO 375 - HB2 LYS 380 3.06 10 0.58 1.80 + ++ +* +++++ peak 2696 Upper QB PRO 375 - QD1 LEU 384 4.03 13 1.10 2.00 + ++ ++ +*++++++ peak 2697 Upper HD2 PRO 375 - QG2 VAL 377 4.93 6 0.39 0.90 * + + ++ + peak 1735 Upper HD2 PRO 375 - QD1 LEU 384 3.59 7 0.53 1.76 *+ ++ + + + peak 3006 Upper HD3 PRO 375 - QD1 LEU 384 3.09 13 0.65 1.37 ++++ +++ *+++++ peak 8315 Upper HA GLU 376 - QG2 VAL 377 4.31 11 0.61 1.28 + +++++ + +* + + peak 1736 Upper QB GLU 376 - QG2 VAL 377 3.61 10 0.82 1.88 +++ + + +* ++ + peak 1731 Upper HG2 GLU 376 - H ARG 378 4.62 7 0.39 1.13 + +*++ + + peak 1023 Upper HG3 GLU 376 - QG2 VAL 377 3.97 7 0.29 0.95 + +*+ + + + peak 8159 Upper H VAL 377 - HB3 ARG 378 4.02 16 0.89 1.30 ++++ + ++ +++++*+++ peak 1019 Upper H VAL 377 - HG3 ARG 378 5.50 7 0.47 1.33 ++ + + + * + peak 2832 Upper HB VAL 377 - HB3 ARG 378 4.22 11 0.63 1.68 + +*+ ++ +++ + + peak 2776 Upper H ARG 378 - HG2 MET 383 4.69 15 0.82 1.53 + + +++++ +++++ + *+ peak 1022 Upper HB3 ARG 378 - H MET 383 3.95 18 1.28 2.04 + ++*++++ ++++++++++ peak 1077 Upper HD2 ARG 378 - QE MET 383 3.91 11 0.65 1.60 ++++ ++* +++ + peak 1642 Upper H SER 379 - H GLN 382 3.98 16 1.16 1.98 + +++++++ + +++*+ ++ peak 340 Upper H SER 379 - QG GLN 382 3.68 7 0.55 2.04 + + ++ + +* peak 1031 Upper HA LYS 380 - QE MET 383 3.00 6 0.52 1.75 + + ++ + * peak 1639 Upper HB2 LYS 380 - H GLU 381 3.11 11 0.61 1.36 ++ + + ++ *+ +++ peak 1049 Upper QD LYS 380 - QD1 LEU 384 4.56 15 0.94 1.79 + ++ ++ ++++++++*+ peak 2853 Upper H GLU 381 - H LEU 384 5.06 8 0.45 1.44 ++ + + +* + + peak 337 Upper H GLU 381 - QD1 LEU 384 4.55 7 0.47 1.13 + ++ + + +* peak 1046 Upper HB3 GLU 381 - H GLN 382 3.50 6 0.53 0.81 * + ++ + + peak 1062 Upper H GLN 382 - HG2 GLU 385 3.41 9 0.53 0.95 + * ++++++ + peak 1057 Upper HA GLN 382 - H GLU 385 3.73 10 0.67 1.28 + +++ ++ + +* + peak 385 Upper HA GLN 382 - H LEU 386 4.68 9 0.75 1.81 + ++ + * ++ + + peak 381 Upper HA MET 383 - QD1 LEU 384 3.12 19 1.00 1.67 ++++*++++ ++++++++++ peak 8316 Upper HB2 MET 383 - QB LEU 384 4.10 7 0.62 0.97 + + +++ *+ peak 3000 Upper QB LEU 384 - H LEU 387 4.34 7 0.39 1.20 + ++ * + ++ peak 3011 Upper QB LEU 384 - QD1 LEU 387 3.12 7 0.42 1.27 + + ++ *+ + peak 3117 Upper QB LEU 384 - QD2 LEU 387 3.08 6 0.50 1.79 ++ + + * + peak 3114 HB2 LEU 386 - QD2 LEU 387 Upper QB LEU 384 - HA VAL 388 4.43 18 1.50 2.78 ++ +++++++* ++++++++ peak 3138 Upper HG LEU 384 - H GLU 385 4.14 10 0.47 1.44 +++ + + *++ ++ peak 3021 Upper QD1 LEU 384 - HG2 GLU 385 4.31 13 0.79 1.44 ++ *+++ ++ + +++ + peak 3029 Upper QD1 LEU 384 - H LEU 387 4.37 12 0.64 1.27 +++ +++ + +*+ ++ peak 8320 Upper HA GLU 385 - QG1 VAL 388 3.76 7 0.43 1.84 + *++ + + + peak 3032 Upper QB GLU 385 - QG1 VAL 388 4.59 8 0.64 2.07 + *++ + + + + peak 3033 Upper HA LEU 386 - H LEU 389 4.40 10 0.48 1.26 + ++ ++ + ++*+ peak 3088 Upper HA LEU 386 - HB3 LEU 389 4.51 13 0.82 1.76 + +* + ++ + ++++++ peak 1886 Upper H LEU 387 - HA VAL 388 3.93 20 1.31 1.64 +*++++++++++++++++++ peak 376 Upper QD1 LEU 387 - H LEU 389 3.70 15 1.16 2.10 ++++ +++ ++*+++++ peak 1132 Upper QD2 LEU 387 - H GLU 390 4.96 11 0.83 2.30 + +*+ + ++ + +++ peak 3092 Upper HB VAL 388 - H PHE 392 5.12 9 0.63 2.17 ++ + ++ *+++ peak 1165 Upper QG2 VAL 388 - H GLN 391 3.93 15 0.87 1.63 ++ ++++* ++++++ ++ peak 1160 Upper QG2 VAL 388 - HG2 PRO 412 3.54 15 1.23 2.58 +++ +++++ ++++++ * peak 3149 Upper QG2 VAL 388 - HG3 PRO 412 4.28 6 0.41 1.79 + * + ++ + peak 3778 Upper H LEU 389 - HB2 PHE 392 5.11 9 0.49 1.20 + + + *+ +++ + peak 473 Upper H LEU 389 - QD PHE 392 4.85 19 1.42 2.13 +++++++++++++ ++*+++ peak 468 Upper H LEU 389 - HG2 PRO 412 4.02 11 0.65 1.38 ++ +++++ +*+ + peak 1129 Upper HB2 LEU 389 - HA PRO 412 4.85 6 0.33 0.84 ++ * ++ + peak 3741 HA PRO 412 - HG3 GLU 414 Upper HG LEU 389 - H GLU 390 3.93 9 0.74 1.89 + ++ + + ++ *+ peak 1145 Upper HG LEU 389 - QD1 LEU 393 3.46 7 0.49 1.39 ++++*+ + peak 3270 QD1 LEU 393 - HG3 PRO 409 Upper QD1 LEU 389 - H GLY 410 4.84 8 0.56 1.38 ++ + *+ +++ peak 1258 Upper QD1 LEU 389 - H SER 411 3.73 11 0.66 1.65 +++ *+ ++++++ peak 1264 Upper QD2 LEU 389 - HB2 PHE 392 4.25 7 0.34 1.32 +*+ ++ + + peak 3185 Upper QD2 LEU 389 - HG3 PRO 412 3.34 6 0.39 1.34 + * +++ + peak 3776 Upper QD2 LEU 389 - H ALA 415 3.70 11 0.63 1.10 ++++ + ++ +++ * peak 1287 Upper QD2 LEU 389 - QB ALA 415 2.89 9 0.59 2.12 ++ + * + ++ ++ peak 1680 Upper QD2 LEU 389 - H ALA 416 4.39 14 0.90 1.79 *+ + ++++ + +++++ + peak 979 Upper H GLU 390 - HD3 PRO 412 4.88 15 0.92 2.16 ++ +++++++++*+ ++ peak 411 Upper H GLN 391 - QD PHE 392 4.79 12 0.75 1.33 + ++++ ++ +*++ + peak 1149 Upper HA GLN 391 - H LEU 393 5.27 12 0.68 1.47 + ++ +++ +*++ + + peak 1863 Upper HA GLN 391 - HA2 GLY 394 4.01 12 0.77 1.92 ++++ + + * ++ + ++ peak 3220 Upper HA GLN 391 - H ALA 395 5.16 14 1.18 2.43 ++++ ++* ++++ +++ peak 1860 Upper HE21 GLN 391 - H ALA 395 4.76 7 0.41 1.08 *+++ + + + peak 447 H ALA 395 - HE22 GLN 401 Upper HE21 GLN 391 - QB ALA 395 4.02 15 1.06 2.31 *+++ +++ ++++++++ peak 1720 Upper HE22 GLN 391 - H ALA 395 5.05 14 1.03 2.00 ++*+ +++ ++++++ + peak 446 Upper HE22 GLN 391 - QB ALA 395 4.10 7 0.60 1.78 ++++ + + * peak 1719 Upper H PHE 392 - H ALA 395 5.06 12 0.75 1.47 +++ +++ ++*+ + + peak 426 Upper H PHE 392 - QB ALA 395 5.21 12 0.76 1.54 ++*+ ++ ++++ + + peak 1728 Upper H PHE 392 - HB3 PRO 412 4.29 14 0.89 1.86 + + +++*++++++ ++ peak 1166 Upper HA PHE 392 - QB ALA 395 3.60 6 0.43 1.18 *+ + + + + peak 1716 Upper QD PHE 392 - QD2 LEU 396 4.53 7 0.64 2.09 +* + + + ++ peak 153 Upper QD PHE 392 - QG1 VAL 419 4.13 14 0.90 1.61 ++ + +++ ++++++*+ peak 151 Upper QE PHE 392 - QB ALA 395 4.22 13 0.86 1.97 +* + +++ +++++ ++ peak 160 Upper QE PHE 392 - H VAL 419 4.57 14 0.86 1.45 ++++ +++ +++++ *+ peak 131 Upper HZ PHE 392 - QD2 LEU 396 4.18 6 0.42 1.55 *+ + + ++ peak 183 Upper HZ PHE 392 - HG LEU 418 4.16 20 1.34 1.91 ++++++++++++++++*+++ peak 171 Upper HZ PHE 392 - HB VAL 419 4.66 9 0.54 1.46 ++ + + + ++ + * peak 3966 Upper HZ PHE 392 - QG2 VAL 419 3.75 7 0.42 1.61 + + +*++ + peak 181 Upper H LEU 393 - QD1 LEU 393 3.60 6 0.37 1.16 +++ *++ peak 766 Upper H LEU 393 - HA3 GLY 394 4.90 15 0.68 1.19 ++++ +++++ ++++ * + peak 3309 Upper HA LEU 393 - QB ALA 395 4.31 16 0.96 1.49 ++*++ +++++++++++ peak 3274 Upper HA LEU 393 - HG LEU 396 4.26 6 0.48 1.72 + +* ++ + peak 3330 Upper HA LEU 393 - QD2 LEU 396 4.78 6 0.34 1.08 + + + + + * peak 3260 Upper HA LEU 393 - HE22 GLN 405 5.50 7 0.69 3.02 + ++ ++ * + peak 521 Upper QD1 LEU 393 - H GLY 394 4.17 15 0.84 1.42 ++++ + *++++++++ + peak 1179 Upper QD1 LEU 393 - HA GLN 405 3.79 7 0.33 1.01 ++ ++*++ peak 3279 QD1 LEU 393 - HA PRO 412 Upper QD1 LEU 393 - QG GLN 405 3.81 10 0.91 2.12 ++ +++ ++* + + peak 3273 Upper QD1 LEU 393 - HD3 PRO 409 4.08 12 0.91 1.99 ++ +++ ++ ++++* peak 3275 Upper QD1 LEU 393 - H ALA 415 5.03 10 0.61 1.59 + + + + + +*++ + peak 3299 Upper QD2 LEU 393 - HA LEU 396 4.50 19 1.64 2.93 ++++++++++++++*++++ peak 3288 Upper QD2 LEU 393 - HA GLN 405 3.75 13 1.18 2.77 ++ ++* ++++++ ++ peak 3278 Upper QD2 LEU 393 - HG3 PRO 409 3.73 9 0.75 2.46 ++ + + + ++* + peak 3266 Upper H GLY 394 - HG2 GLN 401 5.10 15 1.53 2.94 ++++ +*++++++++ + peak 1174 Upper H GLY 394 - HE22 GLN 401 4.66 14 1.01 2.22 ++++ +++ ++*++ ++ peak 433 Upper HA2 GLY 394 - HE22 GLN 401 3.73 6 0.38 1.42 + + + * + + peak 456 HA3 GLY 394 - HE22 GLN 401 Upper HA2 GLY 394 - HE22 GLN 401 4.51 15 1.09 2.32 ++++ +++ ++*+++++ peak 3302 Upper HA3 GLY 394 - HB2 LEU 396 4.70 9 0.70 1.59 ++ + ++*+++ peak 3340 Upper HA3 GLY 394 - HE21 GLN 401 3.56 12 0.99 2.13 ++ +++ ++*+++ + peak 455 Upper H ALA 395 - QD1 LEU 396 4.56 9 0.45 1.07 ++ * + + ++++ peak 1113 Upper H ALA 395 - QD2 LEU 396 4.77 8 0.47 1.23 + + + + *+++ peak 1112 Upper QB ALA 395 - QD2 LEU 396 4.31 7 0.56 1.57 ++ + + + *+ peak 3311 Upper H LEU 396 - HG LEU 396 3.38 10 0.54 1.42 ++ ++ ++ + * ++ peak 1185 Upper H LEU 396 - HA GLN 401 4.86 17 1.66 3.19 +++++ +++ +++++*+++ peak 462 Upper HA LEU 396 - HG2 PRO 397 3.73 16 0.70 0.88 ++++++++ ++ + +*+ ++ peak 3408 Upper HA LEU 396 - H GLN 401 5.32 11 0.61 1.53 ++++ + + + ++* + peak 3367 Upper HB2 LEU 396 - HA GLN 401 3.93 12 0.80 1.96 ++++ ++* + +++ + peak 3509 Upper HB3 LEU 396 - HE22 GLN 401 4.92 8 0.62 1.60 *+ + + + ++ + peak 1208 Upper QD1 LEU 396 - HA VAL 404 5.21 6 0.47 1.55 + + + *+ + peak 3590 Upper QD1 LEU 396 - H GLN 405 4.70 11 0.70 1.66 *++++ + +++++ peak 1220 Upper QD1 LEU 396 - QB ALA 415 3.96 10 0.63 2.02 ++ + + ++++* + peak 1679 Upper QD2 LEU 396 - H ILE 400 4.86 6 0.33 0.97 + +++* + peak 284 Upper QD2 LEU 396 - QG2 ILE 400 3.23 12 0.74 1.50 * +++++ ++ + ++ + peak 3465 Upper QD2 LEU 396 - H VAL 419 5.05 6 0.51 1.54 +* + + ++ peak 1315 Upper HB2 PRO 397 - HB ILE 400 5.37 12 0.72 1.57 +++ + +++++ *++ peak 3458 Upper HD2 PRO 397 - QG2 ILE 400 4.10 11 0.70 1.76 ++ + + *+++++ + peak 1616 Upper HD2 PRO 397 - HE21 GLN 401 5.07 12 0.94 2.00 ++++ + + * ++++ + peak 3428 Upper HD3 PRO 397 - HB ILE 400 4.23 8 0.53 1.34 + + + + *++ + peak 3378 Upper HA PRO 398 - HA GLN 401 4.56 10 0.58 2.03 +++ + ++*+ + + peak 3433 Upper HA PRO 398 - HE22 GLN 401 4.80 10 0.62 1.43 ++ ++ + +*++ + peak 478 Upper HD3 PRO 398 - H ILE 400 4.01 13 0.75 1.72 + ++++ ++*++ +++ peak 245 Upper HA GLU 399 - H ALA 402 4.34 8 0.61 1.55 ++ + * ++ ++ peak 2033 Upper QG GLU 399 - HG12 ILE 400 3.68 9 0.45 1.07 + ++++ + + + * peak 2230 Upper H ILE 400 - HB2 GLN 401 4.07 6 0.42 1.47 ++ + ++ * peak 3532 Upper HA ILE 400 - QD1 ILE 400 3.49 9 0.42 0.69 + ++ + + ++* + peak 2732 Upper HA ILE 400 - H VAL 404 3.88 11 0.63 1.22 *+ + + + ++++ ++ peak 737 Upper HG12 ILE 400 - HG3 GLN 401 3.63 15 0.93 1.73 + +++++++*+ ++ +++ peak 3476 Upper QD1 ILE 400 - HB2 GLN 401 3.24 9 0.50 1.17 +++++ +* + + peak 2725 QD1 ILE 400 - HG3 GLN 401 Upper H GLN 401 - HE21 GLN 401 4.66 6 0.46 1.45 + + * ++ + peak 481 Upper H GLN 401 - HE22 GLN 401 5.41 17 0.76 1.11 +++++++*++ +++++++ peak 482 Upper H GLN 401 - QB ALA 402 4.01 6 0.44 0.81 *+ ++ + + peak 1793 Upper HA GLN 401 - HE22 GLN 401 4.97 12 0.64 0.89 + +*++ ++ + ++++ peak 477 Upper HB2 GLN 401 - HE22 GLN 405 4.30 10 0.62 1.84 ++ +++ +++*+ peak 1229 HG3 GLN 401 - HE22 GLN 405 Upper HG2 GLN 401 - QB ALA 402 3.94 16 0.91 1.48 +++ +++++ +*++++++ peak 4097 QB ALA 402 - QG GLN 405 Upper HG3 GLN 401 - QB ALA 402 4.48 17 1.16 1.78 *+++ +++++ ++++++++ peak 4091 Upper HA ALA 402 - HE22 GLN 405 5.03 8 0.50 1.69 ++ ++* ++ + peak 497 Upper QB ALA 402 - H GLN 405 4.46 6 0.56 1.27 ++ + ++* peak 1218 Upper QB ALA 402 - HE21 GLN 405 5.10 8 0.47 1.09 + ++* ++++ peak 1223 Upper HA ARG 403 - QQG VAL 404 3.90 8 0.61 1.08 *+ + + +++ + peak 3578 Upper HA VAL 404 - QD2 LEU 418 3.96 7 0.48 1.47 + + ++ + * + peak 3938 Upper QQG VAL 404 - HE21 GLN 407 3.77 9 0.53 1.11 ++ + +++ * ++ peak 1240 HE21 GLN 407 - QD2 LEU 418 Upper QB GLN 407 - H LEU 418 4.68 7 0.44 1.02 + + * + ++ + peak 3622 Upper QG GLN 407 - H VAL 419 4.29 15 1.04 1.68 ++++++ +++ ++ + +*+ peak 1308 Upper HA PRO 409 - H ALA 415 4.43 7 0.58 1.39 ++ + + * + + peak 573 Upper H GLU 413 - HA GLU 414 4.39 20 0.83 1.06 +++++++++++++++++++* peak 3875 Upper HA GLU 413 - H ALA 415 4.07 18 0.85 1.17 ++++++ ++++++*+++++ peak 567 Upper HG2 GLU 413 - QB ALA 416 4.88 9 0.55 1.04 ++++ + + + * + peak 3838 Upper HG3 GLU 413 - H GLU 414 4.40 15 0.64 0.89 ++ +++++++++*+++ peak 3819 Upper HG3 GLU 413 - QB ALA 416 4.51 12 0.81 1.60 + ++++ +++ + ++ * peak 3839 Upper H GLU 414 - HG2 GLU 414 3.42 14 0.70 1.26 ++ + +++ ++*+++ ++ peak 1276 Upper HA GLU 414 - HG2 GLU 414 3.34 8 0.61 0.88 + +*++ + + + peak 504 Upper HA GLU 414 - H ALA 416 3.61 17 0.83 1.37 ++++++++++ +++* +++ peak 3874 Upper QB GLU 414 - H ALA 417 4.06 17 0.79 1.34 ++++ +*+++ ++++++ ++ peak 1292 Upper HG3 GLU 414 - H ALA 417 4.41 6 0.56 1.26 * + + +++ peak 1291 Upper H ALA 415 - QB ALA 416 3.77 11 0.60 0.77 + + +++ ++*+ ++ peak 1285 Upper QB ALA 415 - H ALA 417 3.72 13 0.61 0.91 ++++ ++ ++++ * ++ peak 1295 Upper H ALA 417 - HB2 ASP 420 4.69 14 0.72 1.16 + + ++ ++*++ +++ ++ peak 1289 Upper QB ALA 417 - HB3 ASP 420 4.32 6 0.48 2.29 + + + ++ * peak 1487 Upper H LEU 418 - QG2 VAL 419 4.50 13 0.76 1.42 ++* +++ ++++++ + peak 8191 Upper HB2 LEU 418 - H VAL 419 3.39 6 0.48 0.84 + + ++ + * peak 1310 Upper HB2 LEU 418 - H GLY 421 4.74 12 0.66 1.17 *+ + ++++ + ++++ peak 3907 Upper HG LEU 418 - HA VAL 419 4.42 16 0.90 1.39 +*++ +++ +++++++++ peak 3943 Upper H VAL 419 - HA ASP 420 4.69 10 0.61 0.85 + ++++ +++ + * peak 626 Upper H GLY 421 - HB2 LEU 422 4.33 9 0.49 0.95 ++ *+++ + + + peak 1319 Upper HA LEU 422 - QD1 LEU 422 3.46 9 0.54 0.67 *+++ + ++ ++ peak 933 Upper HA LEU 422 - QD2 LEU 422 2.84 14 0.58 0.97 +* ++++++ + +++ ++ peak 565 VdW HA3 GLY 39 - CD PRO 40 2.60 10 0.15 0.31 + + ++ +++ *+ + VdW HB2 PRO 40 - HD1 TRP 72 2.00 8 0.16 0.29 + ++ ++++ * VdW HB3 ARG 44 - CD2 TRP 72 2.60 6 0.14 0.55 + * + + + + VdW HG3 ARG 44 - C ARG 44 2.50 6 0.11 0.36 ++ + + *+ VdW HG3 ARG 44 - N LEU 45 2.45 8 0.18 0.48 ++ + ++ ++* VdW O ARG 44 - HD1 PHE 47 2.30 6 0.11 0.44 + * ++ ++ VdW CB PHE 47 - CB LEU 68 3.20 12 0.25 0.68 ++ ++ ++ *++ +++ VdW CB PHE 47 - HB3 LEU 68 2.60 15 0.31 0.66 *++++ +++ ++ +++++ VdW HB2 PHE 47 - CB LEU 68 2.60 9 0.28 0.76 + *+ ++ + +++ VdW HB2 PHE 47 - HB3 LEU 68 2.00 12 0.30 0.80 *+++ +++ + ++ ++ VdW HB3 PHE 47 - HB3 LEU 68 2.00 6 0.13 0.72 + ++ *+ + VdW CG PHE 47 - C PHE 47 2.90 13 0.20 0.25 ++++* +++ + + + ++ VdW CD1 PHE 47 - N ARG 48 3.05 6 0.11 0.51 *+ ++ ++ VdW CE1 PHE 47 - O LEU 87 2.90 6 0.13 1.00 *+ + + + + VdW CE1 PHE 47 - CB GLN 91 3.20 7 0.11 0.48 + + + + + *+ VdW CZ PHE 47 - C LEU 87 3.10 10 0.17 0.47 ++++ + ++ +*+ VdW CZ PHE 47 - O LEU 87 2.90 7 0.30 1.27 ++*+ + + + VdW CZ PHE 47 - CB GLN 91 3.20 14 0.29 0.49 *+++ + ++ ++++++ + VdW CZ PHE 47 - HB3 GLN 91 2.60 15 0.40 0.77 ++++ + +++ ++++++ * VdW HZ PHE 47 - C LEU 87 2.50 10 0.25 0.75 *+ + ++ ++ +++ VdW HZ PHE 47 - O LEU 87 2.30 13 0.30 0.61 +*+ +++ ++++ +++ VdW CE2 PHE 47 - SG CYS 69 3.40 7 0.19 0.76 + *+ ++ + + VdW CE2 PHE 47 - CB GLN 91 3.20 8 0.15 0.57 *+++ + ++ + VdW CE2 PHE 47 - HB3 GLN 91 2.60 8 0.18 0.66 +* + + + ++ + VdW HE2 PHE 47 - CB LEU 65 2.60 6 0.09 0.33 + + ++ + * VdW HE2 PHE 47 - SG CYS 69 2.80 6 0.16 0.91 + ++ +* + VdW O PHE 47 - CG GLN 91 2.90 7 0.10 0.37 +++ ++ * + VdW O PHE 47 - CD GLN 91 2.80 8 0.21 0.56 * + + ++++ + VdW O PHE 47 - OE1 GLN 91 2.60 15 0.41 0.82 ++++ + +++ ++++ *++ VdW HB3 PHE 50 - CD GLN 91 2.50 11 0.21 0.48 +++ + +++ * +++ VdW HB3 PHE 50 - OE1 GLN 91 2.30 11 0.19 0.54 + + + ++* +++ ++ VdW HB3 PHE 50 - NE2 GLN 91 2.45 10 0.16 0.42 + + * + +++ +++ VdW HE1 PHE 50 - HA ALA 61 2.00 6 0.15 0.65 + ++ * ++ VdW HZ PHE 50 - CG GLU 60 2.60 6 0.15 0.67 * + ++ + + VdW CE2 PHE 50 - HA ALA 61 2.60 7 0.13 0.50 + * + + ++ + VdW HE2 PHE 50 - HA ALA 61 2.00 6 0.12 0.47 * + + ++ + VdW O PHE 50 - C GLY 94 2.80 6 0.14 0.52 + +* +++ VdW CA HIS 51 - HA ALA 95 2.60 8 0.15 0.51 + * + + ++ ++ VdW HA HIS 51 - HA ALA 95 2.00 6 0.14 0.66 + * + + ++ VdW CG HIS 51 - C HIS 51 2.90 12 0.20 0.25 + ++* +++ +++ ++ VdW CD2 HIS 51 - C HIS 51 3.10 6 0.17 0.40 + + * +++ VdW N TYR 52 - C ALA 95 2.95 10 0.19 0.46 ++ * ++ ++ + ++ VdW N TYR 52 - O ALA 95 2.75 13 0.50 0.99 ++++ ++* +++++ + VdW H TYR 52 - C ALA 95 2.45 12 0.31 0.92 ++ * +++ ++++ ++ VdW H TYR 52 - O ALA 95 1.80 12 0.39 0.83 ++++ +++ *+++ + VdW CB TYR 52 - O ALA 95 2.90 8 0.22 0.68 + *+ ++++ + VdW HB3 TYR 52 - CB ALA 95 2.60 8 0.16 0.47 + + ++*+ ++ VdW HB3 TYR 52 - C ALA 95 2.50 9 0.20 0.66 + +++ +++ + * VdW HB3 TYR 52 - O ALA 95 2.30 10 0.19 0.69 + ++ ++ ++++ * VdW CG TYR 52 - C TYR 52 2.90 14 0.19 0.24 ++++ + ++ ++++ +*+ VdW CG TYR 52 - O GLY 57 2.90 11 0.28 0.58 ++*+ + + + + ++ + VdW CD1 TYR 52 - C TYR 52 3.10 6 0.21 0.95 ++ + ++ * VdW CD1 TYR 52 - C GLY 57 3.10 8 0.20 0.79 +++ + + *+ + VdW CD1 TYR 52 - O GLY 57 2.90 9 0.29 0.86 ++*+ + + ++ + VdW CD1 TYR 52 - HA LEU 96 2.60 6 0.18 0.77 ++ +* + + VdW CD1 TYR 52 - O GLY 394 2.90 6 0.14 0.76 ++ + +*+ VdW HD1 TYR 52 - C TYR 52 2.50 6 0.21 1.25 ++ + ++ * VdW HD1 TYR 52 - O GLY 394 2.30 6 0.20 1.20 ++ + +*+ VdW CE1 TYR 52 - CA GLY 57 3.20 6 0.13 0.57 + + + + *+ VdW CE1 TYR 52 - C GLY 57 3.10 9 0.25 0.67 +*++++ + ++ VdW CZ TYR 52 - CA GLY 57 3.20 7 0.22 0.68 ++ + + + *+ VdW CZ TYR 52 - HA2 GLY 57 2.60 7 0.34 1.12 ++ + + + *+ VdW CZ TYR 52 - C GLY 57 3.10 6 0.08 0.36 +*++ + + VdW CE2 TYR 52 - CA GLY 57 3.20 7 0.15 0.70 ++ + + * ++ VdW CE2 TYR 52 - HA2 GLY 57 2.60 8 0.19 0.80 ++ +++ * ++ VdW HE2 TYR 52 - HA GLU 54 2.00 7 0.13 0.51 *++ + ++ + VdW CD2 TYR 52 - C TYR 52 3.10 12 0.44 0.92 ++++ +++ ++++ * VdW CD2 TYR 52 - O TYR 52 2.90 10 0.32 0.79 +++* ++ ++ + + VdW CD2 TYR 52 - HD3 PRO 97 2.60 6 0.10 0.48 ++++ + * VdW HD2 TYR 52 - C TYR 52 2.50 12 0.48 1.15 ++++ +++ + ++ + * VdW HD2 TYR 52 - O TYR 52 2.30 8 0.19 0.70 ++ + ++++ * VdW HD2 TYR 52 - N GLU 53 2.45 10 0.32 0.76 ++++ ++ ++ + * VdW HD2 TYR 52 - C GLU 53 2.50 6 0.09 0.28 *+ + ++ + VdW O TYR 52 - HD3 PRO 97 2.30 6 0.15 0.62 ++ + +*+ VdW H GLU 53 - CG GLU 53 2.55 10 0.18 0.34 ++ +*+ ++ ++ + VdW C GLU 53 - N ALA 55 2.95 11 0.23 0.41 + ++* ++++ + ++ VdW C GLU 53 - H ALA 55 2.45 11 0.28 0.59 + ++* ++++ + ++ VdW O GLU 53 - N ALA 55 2.75 10 0.24 0.57 + ++* ++++ ++ VdW O GLU 53 - N THR 56 2.75 12 0.20 0.45 ++ + +++ +*+++ + VdW O GLU 53 - H THR 56 1.80 9 0.14 0.33 + + + + +*+++ VdW OG1 THR 56 - CB GLU 60 2.90 8 0.19 0.56 +++ + + + * + VdW OG1 THR 56 - HB3 GLU 60 2.30 6 0.16 0.60 ++ * + + + VdW OG1 THR 56 - CD GLU 60 2.80 10 0.22 0.64 + ++++ * + + ++ VdW OG1 THR 56 - OE1 GLU 60 2.60 6 0.10 0.45 ++ + + +* VdW CG2 THR 56 - N GLY 57 3.05 7 0.13 0.41 ++ + * + ++ VdW CG2 THR 56 - CG GLU 60 3.20 6 0.12 0.34 + + + + +* VdW O THR 56 - O ALA 395 2.60 7 0.19 0.93 ++ + + * ++ VdW CA GLY 57 - C ALA 395 3.10 7 0.16 0.64 ++ + + + +* VdW CA GLY 57 - N LEU 396 3.05 7 0.28 1.26 ++ + + + +* VdW CA GLY 57 - CA LEU 396 3.20 6 0.12 0.88 ++ + + *+ VdW CA GLY 57 - C LEU 396 3.10 6 0.15 0.79 ++ + + + * VdW CA GLY 57 - O LEU 396 2.90 7 0.17 0.73 ++ * + + ++ VdW HA3 GLY 57 - N LEU 396 2.45 6 0.22 1.04 ++ + * ++ VdW HA3 GLY 57 - CA LEU 396 2.60 7 0.22 1.13 ++ + + + +* VdW HA3 GLY 57 - C LEU 396 2.50 7 0.29 1.11 ++ + + + +* VdW HA3 GLY 57 - O LEU 396 2.30 7 0.19 0.85 ++ * + + ++ VdW C GLY 57 - CA ALA 395 3.10 9 0.41 1.44 ++ ++* + +++ VdW C GLY 57 - HA ALA 395 2.50 7 0.35 1.42 ++ + + + *+ VdW C GLY 57 - C ALA 395 3.00 11 0.46 1.42 ++ +++ +++*+ + VdW C GLY 57 - N LEU 396 2.95 8 0.37 1.74 ++ + + + +*+ VdW C GLY 57 - H LEU 396 2.45 7 0.31 1.48 ++ + + + +* VdW O GLY 57 - CA ALA 395 2.90 9 0.50 1.85 ++ + + +++*+ VdW O GLY 57 - HA ALA 395 2.30 7 0.55 1.86 ++ + + + +* VdW O GLY 57 - CB ALA 395 2.90 8 0.32 1.27 + ++ ++++ * VdW O GLY 57 - C ALA 395 2.80 6 0.17 1.01 + + ++ *+ VdW N PRO 58 - N ALA 395 2.90 6 0.16 1.09 ++ * + ++ VdW N PRO 58 - CA ALA 395 3.05 9 0.24 0.94 ++ ++* + ++ + VdW N PRO 58 - C ALA 395 2.95 11 0.39 1.18 ++ +*+ +++++ + VdW N PRO 58 - N LEU 396 2.90 9 0.45 1.71 ++ +++ +++* VdW N PRO 58 - H LEU 396 1.80 7 0.27 1.17 ++ + + + +* VdW CD PRO 58 - CG TYR 352 3.20 6 0.12 0.69 + + ++*+ VdW CD PRO 58 - CD1 TYR 352 3.20 7 0.32 1.39 + + + *+++ VdW CD PRO 58 - HD1 TYR 352 2.60 6 0.31 1.45 + + + *+ + VdW CD PRO 58 - N LEU 396 3.05 8 0.43 1.32 ++ ++* + ++ VdW CD PRO 58 - H LEU 396 2.55 7 0.38 1.31 +* + + + ++ VdW CD PRO 58 - CA LEU 396 3.20 10 0.43 1.26 ++ +++ +++* + VdW CD PRO 58 - CB LEU 396 3.20 8 0.28 1.15 ++ + + + +*+ VdW CD PRO 58 - C LEU 396 3.10 6 0.21 0.87 ++ + + + * VdW CD PRO 58 - O LEU 396 2.90 6 0.25 1.08 ++ + + * + VdW CD PRO 58 - NE2 GLN 401 3.05 7 0.17 0.92 ++ + + + *+ VdW CD PRO 58 - HE21 GLN 401 2.55 6 0.22 0.86 ++ * + ++ VdW CA PRO 58 - CA GLY 394 3.20 7 0.30 1.06 ++ + * + ++ VdW CA PRO 58 - C GLY 394 3.10 7 0.49 1.67 +* + + + ++ VdW CA PRO 58 - N ALA 395 3.05 11 0.52 1.85 ++ ++* +++++ + VdW CA PRO 58 - H ALA 395 2.55 7 0.24 1.56 +* ++++ + VdW CA PRO 58 - CA ALA 395 3.20 9 0.31 0.88 ++ *+ ++++ + VdW CA PRO 58 - C ALA 395 3.10 7 0.23 1.00 ++ * +++ + VdW CA PRO 58 - N LEU 396 3.05 7 0.18 0.97 + ++ +* + + VdW CA PRO 58 - H LEU 396 2.55 6 0.16 0.79 ++ + *+ + VdW HA PRO 58 - CA GLY 394 2.60 7 0.23 1.36 ++ + * + ++ VdW HA PRO 58 - C GLY 394 2.50 7 0.40 1.51 ++ + * + ++ VdW HA PRO 58 - O GLY 394 2.30 7 0.27 1.10 ++ + + + *+ VdW HA PRO 58 - N ALA 395 2.45 8 0.29 0.98 + *+ ++++ + VdW CB PRO 58 - HA ALA 116 2.60 6 0.15 1.08 + + + + + * VdW CB PRO 58 - N LEU 396 3.05 6 0.20 0.78 + + * + + + VdW HB2 PRO 58 - CB ALA 116 2.60 6 0.14 0.77 ++ ++ + * VdW HB2 PRO 58 - C LEU 393 2.50 7 0.24 0.89 ++ + + + +* VdW HB3 PRO 58 - HA ALA 116 2.00 6 0.12 0.86 ++ + + + * VdW CG PRO 58 - CA LEU 396 3.20 6 0.15 0.83 + * ++ + + VdW CG PRO 58 - HA LEU 396 2.60 6 0.14 0.72 + + * + + + VdW CG PRO 58 - CB LEU 396 3.20 10 0.30 0.96 ++ +++ +++* + VdW CG PRO 58 - HB3 LEU 396 2.60 6 0.18 0.93 + + + + *+ VdW CG PRO 58 - NE2 GLN 401 3.05 6 0.19 0.74 ++ + * ++ VdW CG PRO 58 - HE21 GLN 401 2.55 6 0.21 0.78 ++ + * ++ VdW HG2 PRO 58 - H GLN 59 1.95 7 0.17 0.29 * ++ + + ++ VdW HG2 PRO 58 - NE2 GLN 59 2.45 6 0.17 1.02 ++ ++ + * VdW HG2 PRO 58 - CB LEU 396 2.60 7 0.20 1.01 ++ + + * ++ VdW HG2 PRO 58 - HB3 LEU 396 2.00 6 0.20 1.00 ++ * + + + VdW HG3 PRO 58 - CG LEU 396 2.60 6 0.25 1.57 + ++ * + + VdW HG3 PRO 58 - NE2 GLN 401 2.45 6 0.18 0.77 ++ + * ++ VdW HD2 PRO 58 - CG TYR 352 2.60 8 0.22 0.85 + + + * ++++ VdW HD2 PRO 58 - CD1 TYR 352 2.60 7 0.34 1.63 + + + *+++ VdW HD2 PRO 58 - HD1 TYR 352 2.00 6 0.21 1.04 + + * ++ + VdW HD2 PRO 58 - N LEU 396 2.45 7 0.30 1.13 ++ + * + ++ VdW HD2 PRO 58 - CA LEU 396 2.60 7 0.44 1.53 ++ + + + +* VdW HD2 PRO 58 - CB LEU 396 2.60 7 0.29 1.25 ++ + + + +* VdW HD2 PRO 58 - C LEU 396 2.50 7 0.30 1.19 ++ + + * ++ VdW HD3 PRO 58 - O LEU 396 2.30 6 0.17 0.69 ++ + + + * VdW HD3 PRO 58 - NE2 GLN 401 2.45 7 0.19 0.86 ++ + + + *+ VdW C PRO 58 - N GLY 394 2.95 7 0.29 1.17 ++ + + * ++ VdW C PRO 58 - H GLY 394 2.45 7 0.16 0.69 ++ + + * ++ VdW C PRO 58 - CA GLY 394 3.10 6 0.31 1.42 ++ * + + + VdW C PRO 58 - C GLY 394 3.00 7 0.47 1.90 +* + + + ++ VdW C PRO 58 - N ALA 395 2.95 7 0.66 2.25 *+ + + + ++ VdW C PRO 58 - H ALA 395 2.45 7 0.54 1.90 ++ + * + ++ VdW C PRO 58 - CA ALA 395 3.10 7 0.30 1.17 *+ + + + ++ VdW O PRO 58 - C GLN 59 2.80 18 0.32 0.47 +++++ +++++++++*+++ VdW O PRO 58 - N GLU 60 2.75 7 0.20 0.81 + + + + ++ * VdW O PRO 58 - N ALA 61 2.75 14 0.32 0.64 + +++ + +++ +++* ++ VdW O PRO 58 - H ALA 61 1.80 8 0.20 0.64 + + + + + * ++ VdW O PRO 58 - N GLY 394 2.75 7 0.20 1.05 ++ + + * ++ VdW O PRO 58 - CA GLY 394 2.90 6 0.33 1.57 ++ + + * + VdW O PRO 58 - C GLY 394 2.80 7 0.45 1.76 ++ * + + ++ VdW O PRO 58 - N ALA 395 2.75 7 0.51 1.86 *+ + + + ++ VdW N GLN 59 - N ALA 395 2.90 6 0.33 1.38 +* + + + + VdW N GLN 59 - H ALA 395 1.80 6 0.18 1.07 +* + + + + VdW N GLN 59 - CA ALA 395 3.05 6 0.13 0.62 *+ + + + + VdW H GLN 59 - HE21 GLN 59 1.90 6 0.15 0.61 + + +* + + VdW CG GLN 59 - CA PRO 358 3.20 12 0.29 0.76 +*++ +++ +++++ VdW CG GLN 59 - HA PRO 358 2.60 10 0.31 1.02 ++++ ++* + + + VdW CG GLN 59 - CB PRO 358 3.20 7 0.21 1.16 ++ + + *+ + VdW HG2 GLN 59 - HA PRO 358 2.00 7 0.21 1.10 +*++ + + + VdW HG3 GLN 59 - CA PRO 358 2.60 6 0.13 0.58 + *+ + ++ VdW HG3 GLN 59 - HA PRO 358 2.00 6 0.11 0.48 + +* + + + VdW CD GLN 59 - CA PRO 358 3.10 6 0.16 0.83 + *+ + + + VdW CD GLN 59 - CB PRO 358 3.10 8 0.25 1.15 ++ + + + +* + VdW OE1 GLN 59 - CE2 PHE 392 2.90 6 0.15 0.84 ++ + * + + VdW NE2 GLN 59 - CB PRO 358 3.05 10 0.26 0.89 + ++ +++ + * + + VdW NE2 GLN 59 - HB2 PRO 358 2.45 6 0.14 0.85 + + + * ++ VdW NE2 GLN 59 - HB3 PRO 358 2.45 6 0.21 0.92 + ++ * + + VdW NE2 GLN 59 - CZ PHE 392 3.05 6 0.13 0.54 + + ++ +* VdW O GLN 59 - C GLU 60 2.80 9 0.17 0.38 +++ + + + + +* VdW O GLN 59 - N LEU 62 2.75 8 0.19 0.60 ++ + + ++ *+ VdW N GLU 60 - CB ALA 395 3.05 7 0.31 1.14 +* + + + ++ VdW CA GLU 60 - CB ALA 395 3.20 7 0.29 1.07 ++ * + + ++ VdW HA GLU 60 - CD2 PHE 350 2.60 8 0.16 0.58 ++ * +++ ++ VdW HA GLU 60 - HD2 PHE 350 2.00 6 0.16 0.62 *+ + ++ + VdW CB GLU 60 - CB ALA 395 3.20 7 0.31 1.17 ++ + + * ++ VdW CB GLU 60 - HB2 ALA 395 2.60 6 0.13 0.75 + * + + ++ VdW HB2 GLU 60 - CA HIS 351 2.60 7 0.10 0.29 ++ ++ + + * VdW HB2 GLU 60 - HA HIS 351 2.00 9 0.21 0.70 ++ +++ * + + + VdW HB3 GLU 60 - CB ALA 395 2.60 6 0.23 1.13 ++ + + * + VdW CG GLU 60 - C GLU 60 2.90 10 0.15 0.24 ++ ++* ++ + + + VdW CG GLU 60 - CB ALA 395 3.20 7 0.14 0.59 ++ + * +++ VdW HG3 GLU 60 - C GLU 60 2.50 11 0.20 0.41 +++ + ++ ++ + *+ VdW HG3 GLU 60 - HE21 GLN 64 1.95 6 0.12 0.47 ++++ + * VdW O GLU 60 - CG GLN 64 2.90 10 0.27 0.70 + + +*+ + + + ++ VdW O GLU 60 - HG2 GLN 64 2.30 10 0.27 0.72 + +++ ++ ++*+ VdW N ALA 61 - CB ALA 395 3.05 7 0.30 1.23 *+ + + + ++ VdW N ALA 61 - HB1 ALA 395 2.45 6 0.15 0.90 + * + +++ VdW N ALA 61 - HB3 ALA 395 2.45 6 0.17 1.22 * + + +++ VdW H ALA 61 - CA ALA 395 2.55 6 0.15 0.80 ++ * + ++ VdW H ALA 61 - CB ALA 395 2.55 8 0.38 1.56 *+ + + ++++ VdW CB ALA 61 - CB ALA 95 3.20 15 0.45 1.00 ++++ +++ +++++*++ VdW CB ALA 61 - HB1 ALA 95 2.60 8 0.20 0.68 * + ++++ + + VdW CB ALA 61 - HB2 ALA 95 2.60 6 0.14 0.51 ++* + + + VdW CB ALA 61 - CA GLY 394 3.20 7 0.17 0.79 ++ ++*+ + VdW CB ALA 61 - C GLY 394 3.10 10 0.32 1.05 + +++ ++++* + VdW CB ALA 61 - O GLY 394 2.90 8 0.23 0.95 +* ++ + + + + VdW HB1 ALA 61 - CB ALA 95 2.60 7 0.19 0.66 + +++ + *+ VdW HB1 ALA 61 - C GLY 394 2.50 7 0.18 0.97 + + +++* + VdW HB3 ALA 61 - CB ALA 95 2.60 7 0.19 0.65 +* + ++++ VdW C ALA 61 - CG GLN 391 3.10 6 0.14 0.93 *+ ++ + + VdW C ALA 61 - CD GLN 391 3.00 6 0.16 1.02 ++ ++* + VdW C ALA 61 - NE2 GLN 391 2.95 7 0.24 1.03 ++ +*+ + + VdW C ALA 61 - C GLN 391 3.00 6 0.18 0.86 ++ + +* + VdW C ALA 61 - O GLN 391 2.80 7 0.20 0.81 +* ++++ + VdW O ALA 61 - CG LEU 65 2.90 6 0.17 0.88 * + ++ ++ VdW O ALA 61 - CD1 LEU 65 2.90 9 0.21 0.61 + * +++ + + ++ VdW O ALA 61 - CD2 LEU 65 2.90 7 0.19 0.99 + + + * + + + VdW O ALA 61 - CG GLN 391 2.90 6 0.20 0.96 *+ +++ + VdW O ALA 61 - CD GLN 391 2.80 7 0.34 1.52 ++ ++* + + VdW O ALA 61 - NE2 GLN 391 2.75 9 0.44 1.64 + ++ ++*+ + + VdW N LEU 62 - C GLN 391 2.95 7 0.37 1.59 ++ +++* + VdW N LEU 62 - O GLN 391 2.75 7 0.27 1.24 ++ +*++ + VdW N LEU 62 - N PHE 392 2.90 7 0.31 1.24 ++ +++* + VdW N LEU 62 - CA PHE 392 3.05 7 0.27 1.29 ++ ++*+ + VdW H LEU 62 - CA PHE 392 2.55 6 0.22 1.01 +* + ++ + VdW CA LEU 62 - CA GLN 391 3.20 7 0.34 1.27 ++ ++++ * VdW CA LEU 62 - CB GLN 391 3.20 6 0.27 1.24 ++ +++ * VdW CA LEU 62 - CG GLN 391 3.20 7 0.38 1.53 *+ +++ + + VdW CA LEU 62 - C GLN 391 3.10 9 0.60 2.06 + ++ ++*++ + VdW CA LEU 62 - O GLN 391 2.90 7 0.28 1.36 + + ++*+ + VdW CA LEU 62 - N PHE 392 3.05 7 0.64 2.31 ++ ++*+ + VdW CA LEU 62 - H PHE 392 2.55 7 0.38 1.48 ++ +++* + VdW CA LEU 62 - CA PHE 392 3.20 7 0.34 1.61 ++ ++*+ + VdW HA LEU 62 - CA GLN 391 2.60 7 0.44 1.64 ++ ++++ * VdW HA LEU 62 - CB GLN 391 2.60 6 0.31 1.48 *+ +++ + VdW HA LEU 62 - CG GLN 391 2.60 8 0.27 1.11 + *+ +++ + + VdW HA LEU 62 - HG3 GLN 391 2.00 6 0.12 0.54 ++ * + + + VdW HA LEU 62 - C GLN 391 2.50 6 0.43 1.81 ++ ++* + VdW HA LEU 62 - N PHE 392 2.45 6 0.24 1.41 ++ ++* + VdW CB LEU 62 - C GLN 391 3.10 8 0.42 1.68 + ++ ++*+ + VdW CB LEU 62 - N PHE 392 3.05 8 0.76 2.50 + ++ +*++ + VdW CB LEU 62 - H PHE 392 2.55 7 0.53 2.01 *+ ++++ + VdW CB LEU 62 - CA PHE 392 3.20 9 0.60 2.14 + ++ +++*+ + VdW CB LEU 62 - CB PHE 392 3.20 6 0.37 1.79 ++ ++* + VdW CB LEU 62 - C PHE 392 3.10 8 0.28 1.19 + + ++*++ + VdW HB2 LEU 62 - N PHE 392 2.45 6 0.27 1.33 ++ +++ * VdW HB2 LEU 62 - CA PHE 392 2.60 6 0.52 1.85 ++ *++ + VdW HB2 LEU 62 - HA PHE 392 2.00 6 0.14 0.77 ++ *++ + VdW HB2 LEU 62 - CB PHE 392 2.60 6 0.39 1.80 ++ ++* + VdW HB3 LEU 62 - N PHE 392 2.45 8 0.32 1.51 + ++ ++*+ + VdW HB3 LEU 62 - H PHE 392 1.95 6 0.27 1.04 ++ *++ + VdW CG LEU 62 - C GLN 391 3.10 9 0.43 1.31 + +++ ++++ * VdW CG LEU 62 - N PHE 392 3.05 10 0.52 1.79 ++ +*+ ++++ + VdW CG LEU 62 - H PHE 392 2.55 7 0.24 1.28 *+ ++++ + VdW CG LEU 62 - CA PHE 392 3.20 9 0.39 1.33 + ++ *++++ + VdW CG LEU 62 - CB PHE 392 3.20 6 0.20 0.93 ++ +++* VdW CG LEU 62 - C PHE 392 3.10 9 0.28 0.99 ++ ++* +++ + VdW HG LEU 62 - C GLN 391 2.50 8 0.31 1.27 + +*+ +++ + VdW HG LEU 62 - O GLN 391 2.30 7 0.19 0.74 * ++ ++ ++ VdW HG LEU 62 - N PHE 392 2.45 9 0.22 1.03 + +*+ ++++ + VdW HG LEU 62 - CA PHE 392 2.60 6 0.17 0.74 + + + + +* VdW CD1 LEU 62 - C GLN 391 3.10 7 0.24 0.92 + ++ + * + + VdW CD1 LEU 62 - N PHE 392 3.05 8 0.24 1.05 + + ++ ++ * + VdW CD1 LEU 62 - CA PHE 392 3.20 9 0.28 1.08 + + *+ + + +++ VdW CD1 LEU 62 - C PHE 392 3.10 8 0.27 1.11 + ++ *++ ++ VdW CD1 LEU 62 - N LEU 393 3.05 6 0.31 1.34 + ++ + + * VdW CD2 LEU 62 - C GLU 390 3.10 7 0.24 1.09 * ++ ++ + + VdW CD2 LEU 62 - N GLN 391 3.05 7 0.33 1.29 + +* ++ + + VdW CD2 LEU 62 - N PHE 392 3.05 7 0.19 0.73 + ++ +*++ VdW C LEU 62 - CA GLN 391 3.10 6 0.17 1.17 ++ + + + * VdW C LEU 62 - CB GLN 391 3.10 6 0.22 0.91 ++ +++ * VdW C LEU 62 - CG GLN 391 3.10 9 0.47 1.64 + ++ +++* + + VdW C LEU 62 - HG2 GLN 391 2.50 6 0.30 1.66 *+ + + + + VdW C LEU 62 - HG3 GLN 391 2.50 6 0.33 1.92 ++ ++* + VdW C LEU 62 - NE2 GLN 391 2.95 6 0.29 1.04 +*+ + + + VdW C LEU 62 - HE21 GLN 391 2.45 8 0.21 0.85 ++++ * + ++ VdW C LEU 62 - C GLN 391 3.00 7 0.29 1.25 ++ + + ++* VdW C LEU 62 - N PHE 392 2.95 7 0.26 1.55 + ++++* + VdW O LEU 62 - CB GLN 391 2.90 9 0.28 0.91 ++ + + *+++ + VdW O LEU 62 - CG GLN 391 2.90 12 0.35 0.98 +++ +++ +++* + + VdW O LEU 62 - HG2 GLN 391 2.30 6 0.17 0.72 ++ + + * + VdW O LEU 62 - CD GLN 391 2.80 7 0.26 1.11 +*++ + + + VdW O LEU 62 - NE2 GLN 391 2.75 8 0.27 1.13 ++*+ + + ++ VdW N ALA 63 - CG GLN 391 3.05 6 0.28 1.14 ++ ++* + VdW CA ALA 63 - CD2 LEU 365 3.20 7 0.15 0.82 + + ++* + + VdW CB ALA 63 - CB PHE 350 3.20 9 0.22 0.78 * + ++ + + +++ VdW CB ALA 63 - HB3 PHE 350 2.60 6 0.20 0.96 + * ++ + + VdW CB ALA 63 - CG PHE 350 3.20 6 0.17 0.92 ++ + + +* VdW CB ALA 63 - CD2 LEU 365 3.20 7 0.18 0.80 + + +++ + * VdW N GLN 64 - HG2 GLN 64 2.45 8 0.21 0.44 ++ + * + ++ + VdW N GLN 64 - CD GLN 391 2.95 6 0.20 0.92 +++ + * + VdW N GLN 64 - NE2 GLN 391 2.90 10 0.34 1.35 ++ *++ ++ + + + VdW NE2 GLN 64 - O PHE 350 2.75 7 0.13 0.44 + +++ + + * VdW O GLN 64 - C LEU 65 2.80 6 0.12 0.46 +++ + * + VdW N LEU 65 - CD GLN 391 2.95 6 0.16 0.67 + ++ ++ * VdW N LEU 65 - OE1 GLN 391 2.75 7 0.30 1.43 +++ ++ + * VdW N LEU 65 - NE2 GLN 391 2.90 6 0.15 0.75 ++ + ++ * VdW H LEU 65 - CG LEU 65 2.55 9 0.13 0.33 *+++ +++ + + VdW H LEU 65 - CD GLN 391 2.45 6 0.20 0.95 ++ *+ + + VdW H LEU 65 - HE22 GLN 391 1.90 8 0.18 0.58 + +++ + + * + VdW CB LEU 65 - CG GLN 91 3.20 9 0.22 0.69 ++ + ++ + +*+ VdW CB LEU 65 - HG2 GLN 91 2.60 7 0.22 1.06 + +++ + + * VdW HB3 LEU 65 - CG GLN 91 2.60 11 0.30 0.77 ++++ +*+ + +++ VdW HB3 LEU 65 - HG2 GLN 91 2.00 10 0.26 0.76 +++ ++* + + ++ VdW CG LEU 65 - CG GLN 91 3.20 6 0.20 0.72 + + +++* VdW CG LEU 65 - HG3 GLN 91 2.60 8 0.20 0.87 + ++ + ++*+ VdW CG LEU 65 - CD GLN 391 3.10 6 0.15 0.77 + ++ + * + VdW CG LEU 65 - OE1 GLN 391 2.90 9 0.23 0.94 ++ +* +++ + + VdW CG LEU 65 - NE2 GLN 391 3.05 6 0.12 0.54 ++ + + * + VdW HG LEU 65 - CD GLN 391 2.50 6 0.26 1.09 + ++ + + * VdW HG LEU 65 - OE1 GLN 391 2.30 6 0.20 1.19 + +* + + + VdW HG LEU 65 - NE2 GLN 391 2.45 7 0.21 0.88 +++ + * + + VdW CD1 LEU 65 - CG GLN 91 3.20 6 0.18 0.72 + + * +++ VdW CD1 LEU 65 - HG3 GLN 91 2.60 6 0.18 0.88 + + + +*+ VdW CD2 LEU 65 - CG GLN 91 3.20 9 0.24 0.69 ++* ++ + + + + VdW CD2 LEU 65 - HG3 GLN 91 2.60 8 0.24 0.86 ++* ++ + + + VdW CD2 LEU 65 - NE2 GLN 391 3.05 7 0.13 0.55 + ++ +* + + VdW C LEU 65 - SG CYS 69 3.30 7 0.19 0.57 + + *+++ + VdW O LEU 65 - C ARG 66 2.80 10 0.19 0.47 ++ ++* +++ ++ VdW O LEU 65 - N GLU 67 2.75 7 0.20 0.81 + *++ ++ + VdW O LEU 65 - N LEU 68 2.75 6 0.14 0.52 + ++ + +* VdW O LEU 65 - SG CYS 69 3.10 15 0.44 0.89 ++ ++++++++++ + *+ VdW N ARG 66 - OE1 GLN 391 2.75 6 0.17 1.17 ++ *+ + + VdW CA ARG 66 - SG CYS 69 3.40 12 0.32 0.82 + +++++++ +++ * VdW CA ARG 66 - HB3 LEU 387 2.60 7 0.22 0.79 + +++ +*+ VdW HA ARG 66 - SG CYS 69 2.80 10 0.33 0.94 + +*++ ++ + + + VdW HA ARG 66 - HB3 LEU 387 2.00 6 0.21 1.03 + ++ ++* VdW CB ARG 66 - CZ PHE 347 3.20 8 0.22 0.87 + *+ + + + ++ VdW CB ARG 66 - HZ PHE 347 2.60 10 0.19 0.52 *++ +++ ++ + + VdW CB ARG 66 - CB LEU 387 3.20 11 0.25 0.77 ++ +++ ++++*+ VdW CB ARG 66 - HB2 LEU 387 2.60 7 0.18 1.23 ++ ++ +* + VdW CB ARG 66 - HB3 LEU 387 2.60 8 0.26 0.97 ++ *++ ++ + VdW HB2 ARG 66 - CB LEU 387 2.60 8 0.19 0.91 ++ ++ +* ++ VdW HB2 ARG 66 - HB3 LEU 387 2.00 6 0.17 0.75 ++ + ++ * VdW HB3 ARG 66 - CZ PHE 347 2.60 7 0.20 0.99 + ++ + + *+ VdW HB3 ARG 66 - HZ PHE 347 2.00 6 0.16 0.80 ++ ++ * + VdW CG ARG 66 - CZ PHE 347 3.20 11 0.26 0.77 +++ +++ + +*+ + VdW CG ARG 66 - HZ PHE 347 2.60 8 0.24 0.77 + + + * +++ + VdW CG ARG 66 - CB LEU 387 3.20 7 0.13 0.64 ++ *++ ++ VdW CD ARG 66 - CZ PHE 347 3.20 8 0.18 0.83 *+ + ++ ++ + VdW NE ARG 66 - CZ PHE 347 3.05 6 0.11 0.69 +* + ++ + VdW CZ ARG 66 - CB CYS 369 3.20 7 0.18 0.63 * ++ + ++ + VdW C ARG 66 - SG CYS 69 3.30 7 0.18 0.55 + + *+ + ++ VdW O ARG 66 - CH2 TRP 372 2.90 7 0.16 0.83 + + *+ ++ + VdW CB GLU 67 - HB2 ARG 344 2.60 8 0.16 0.55 + +*++++ + VdW HB2 GLU 67 - CB ARG 344 2.60 6 0.09 0.29 + + ++* + VdW HB2 GLU 67 - HB2 ARG 344 2.00 9 0.22 0.66 ++ + + *+++ + VdW CG GLU 67 - C GLU 67 2.90 6 0.15 0.24 + +++ + * VdW CG GLU 67 - N LEU 68 3.05 13 0.29 0.53 ++++ + +++ ++++ * VdW HG3 GLU 67 - C GLU 67 2.50 6 0.16 0.45 * ++ + + + VdW HG3 GLU 67 - N LEU 68 2.45 13 0.35 0.74 ++++ + +++*++++ VdW HG3 GLU 67 - H LEU 68 1.95 10 0.25 1.06 + + + ++++++* VdW HA LEU 68 - CD1 LEU 68 2.60 6 0.11 0.47 + + + + + * VdW HA LEU 68 - NE2 GLN 71 2.45 8 0.15 0.44 + + ++ +++ * VdW H CYS 69 - SG CYS 69 2.75 10 0.21 0.45 + ++ ++ * + +++ VdW CA CYS 69 - HE3 TRP 72 2.60 10 0.19 0.58 + + *++ + + +++ VdW HA CYS 69 - CE3 TRP 72 2.60 6 0.15 0.63 ++ + + + * VdW HA CYS 69 - HE3 TRP 72 2.00 12 0.24 0.56 +++++ *++ + + ++ VdW CB CYS 69 - CB LEU 87 3.20 6 0.14 0.49 +++ + + * VdW CB CYS 69 - HB2 LEU 87 2.60 9 0.28 0.82 +++ ++ *++ + VdW CB CYS 69 - CD2 LEU 87 3.20 9 0.19 0.69 ++ ++ +++ *+ VdW HB2 CYS 69 - CB LEU 87 2.60 7 0.14 0.56 + + *+ + ++ VdW HB3 CYS 69 - HB2 LEU 87 2.00 8 0.20 0.80 ++ ++ +*+ + VdW HB3 CYS 69 - CD2 LEU 87 2.60 6 0.18 0.81 + + * ++ + VdW O CYS 69 - C ARG 70 2.80 12 0.23 0.46 ++ * ++ + + +++++ VdW O CYS 69 - N GLN 71 2.75 6 0.12 0.45 ++ + + + * VdW O CYS 69 - N TRP 72 2.75 9 0.16 0.45 * ++ + +++++ VdW O CYS 69 - CE3 TRP 72 2.90 6 0.15 0.40 + * + + ++ VdW O CYS 69 - HE3 TRP 72 2.30 10 0.26 0.75 + + * + + +++ ++ VdW CA ARG 70 - CD2 LEU 73 3.20 6 0.12 0.50 + + ++*+ VdW HA ARG 70 - CD2 LEU 73 2.60 11 0.35 0.97 ++ + ++ ++*++ + VdW HA ARG 70 - HD23 LEU 73 2.00 7 0.18 0.83 ++ + + ++ * VdW CB ARG 70 - CZ2 TRP 372 3.20 12 0.33 0.70 *+ + ++ ++++++ + VdW CB ARG 70 - HZ2 TRP 372 2.60 7 0.16 0.91 + ++ *+ + + VdW HB3 ARG 70 - CZ2 TRP 372 2.60 11 0.39 1.12 + + ++ ++*+++ + VdW HB3 ARG 70 - HZ2 TRP 372 2.00 9 0.18 0.56 + ++ +++ ++ * VdW CG ARG 70 - NE1 TRP 372 3.05 6 0.08 0.34 +* ++ + + VdW CD ARG 70 - C ARG 70 3.10 8 0.17 0.50 +*+ + ++ + + VdW HD3 ARG 70 - C ARG 70 2.50 12 0.23 0.64 ++++ +++++*++ VdW HD3 ARG 70 - N GLN 71 2.45 7 0.12 0.43 * + + + +++ VdW C ARG 70 - N TRP 72 2.95 19 0.32 0.51 ++++++++*++++++++++ VdW C ARG 70 - H TRP 72 2.45 20 0.60 0.84 ++++++++*+++++++++++ VdW O ARG 70 - N TRP 72 2.75 19 0.43 0.82 ++++++++*++++++++++ VdW O ARG 70 - H TRP 72 1.80 7 0.19 0.77 + * + +++ + VdW H GLN 71 - CG GLN 71 2.55 6 0.12 0.40 +*+ + + + VdW NE2 GLN 71 - CZ ARG 344 3.05 6 0.07 0.27 + + + +* + VdW CG TRP 72 - C TRP 72 2.90 19 0.25 0.26 ++*+++ +++++++++++++ VdW CG TRP 72 - N LEU 73 3.05 8 0.20 0.42 +* +++++ + VdW CZ3 TRP 72 - CB LEU 87 3.20 12 0.22 0.47 ++ + + ++ ++*+ ++ VdW CZ3 TRP 72 - HB3 LEU 87 2.60 10 0.22 0.81 ++ ++ *+++ ++ VdW CH2 TRP 72 - HA LEU 87 2.60 6 0.14 0.58 +* + + + + VdW CH2 TRP 72 - CB LEU 87 3.20 10 0.17 0.47 ++ * ++ ++++ + VdW CH2 TRP 72 - HB3 LEU 87 2.60 9 0.27 0.77 ++ ++ *+++ + VdW HH2 TRP 72 - CA LEU 87 2.60 7 0.16 0.53 ++ + + ++* VdW HH2 TRP 72 - HA LEU 87 2.00 12 0.30 0.86 ++++ +++ ++* ++ VdW CD1 LEU 73 - HB3 MET 83 2.60 6 0.15 0.63 + + *+ + + VdW CD1 LEU 73 - C MET 83 3.10 8 0.23 0.78 ++ + +*++ + VdW CD1 LEU 73 - O MET 83 2.90 6 0.19 0.83 ++ + + +* VdW CD1 LEU 73 - N LEU 84 3.05 9 0.20 0.70 ++ + +*+++ + VdW CD1 LEU 73 - CA LEU 84 3.20 7 0.16 0.56 ++ + +*++ VdW CD1 LEU 73 - HA LEU 84 2.60 9 0.21 0.57 ++ + ++ +*++ VdW CD1 LEU 73 - CD1 LEU 84 3.20 6 0.16 0.60 + * +++ + VdW CD1 LEU 73 - CD2 LEU 84 3.20 7 0.18 0.76 ++ + * ++ + VdW CD1 LEU 73 - CD2 LEU 87 3.20 7 0.15 0.53 ++ + *+++ VdW HD12 LEU 73 - HB3 MET 83 2.00 6 0.11 0.39 ++ + * + + VdW HD13 LEU 73 - CD2 LEU 84 2.60 6 0.12 0.63 ++ * ++ + VdW CD2 LEU 73 - N ARG 74 3.05 11 0.29 0.67 ++ + *+ +++++ + VdW CD2 LEU 73 - H ARG 74 2.55 9 0.20 0.62 ++ + ++*++ + VdW CD2 LEU 73 - CD2 LEU 87 3.20 10 0.21 0.65 + + + ++ ++++ * VdW HD21 LEU 73 - CD2 LEU 87 2.60 6 0.14 0.64 ++ + + + * VdW HD22 LEU 73 - N ARG 74 2.45 7 0.15 0.58 ++ + * ++ + VdW HD22 LEU 73 - CD2 LEU 87 2.60 6 0.11 0.57 + + +* + + VdW HD23 LEU 73 - N ARG 74 2.45 6 0.11 0.53 + + +++ * VdW O LEU 73 - C ARG 74 2.80 6 0.15 0.48 + +*+ ++ VdW O LEU 73 - O ARG 74 2.60 13 0.31 0.75 +++++* ++ +++ ++ VdW O LEU 73 - SD MET 83 3.10 8 0.18 0.66 ++ + *+ ++ + VdW O LEU 73 - CE MET 83 2.90 11 0.25 0.63 ++ * + +++ ++ ++ VdW HA ARG 74 - CD PRO 75 2.60 14 0.22 0.31 ++++ + *+ +++++++ VdW O ARG 74 - HG22 VAL 77 2.30 6 0.10 0.39 *++ + ++ VdW O ARG 74 - HG23 VAL 77 2.30 7 0.11 0.45 + *+ + ++ + VdW O ARG 74 - CE MET 83 2.90 13 0.29 0.68 + * ++ + +++++ +++ VdW O ARG 74 - HE1 MET 83 2.30 7 0.14 0.45 + ++ + +* + VdW O ARG 74 - HE2 MET 83 2.30 7 0.14 0.54 ++ + + ++ * VdW HG3 PRO 75 - CD1 LEU 373 2.60 7 0.14 0.68 *+ ++ +++ VdW C PRO 75 - H VAL 77 2.45 11 0.23 0.58 +++ + +* ++ +++ VdW HB3 GLU 76 - CB VAL 377 2.60 6 0.10 0.41 + * + + + + VdW CB ARG 78 - N SER 79 2.85 8 0.18 0.21 + +++ + * ++ VdW CB ARG 78 - H SER 79 2.55 18 0.34 0.40 ++ +++++++*++++++ ++ VdW HB2 ARG 78 - SD MET 83 2.80 11 0.28 0.83 * + +++ + + ++++ VdW HB2 ARG 78 - CE MET 83 2.60 7 0.16 0.43 *+ + + ++ + VdW HB3 ARG 78 - H SER 79 1.95 9 0.20 0.53 ++* ++ ++ + + VdW O SER 79 - HB2 MET 83 2.30 12 0.25 0.79 ++ ++* +++++ ++ VdW O SER 79 - CE MET 83 2.90 7 0.17 0.74 + + ++ * + + VdW O SER 79 - HE3 MET 83 2.30 7 0.13 0.49 +++ ++ * + VdW C LYS 80 - H GLN 82 2.45 11 0.21 0.50 +++ + *++++ ++ VdW O LYS 80 - CG LEU 84 2.90 7 0.14 0.55 +++ + + * + VdW O LYS 80 - HG LEU 84 2.30 9 0.20 0.70 +++ ++ + +* + VdW O LYS 80 - CD2 LEU 84 2.90 6 0.15 0.57 + * + ++ + VdW O GLU 81 - CG GLU 85 2.90 9 0.19 0.41 ++ + +++ + * + VdW O GLU 81 - CD GLU 85 2.80 12 0.23 0.56 + ++ ++ +++* + ++ VdW CG GLN 82 - C GLN 82 2.90 8 0.11 0.24 +* + + + +++ VdW C MET 83 - CD2 LEU 86 3.10 9 0.17 0.40 ++ +* ++ + ++ VdW C MET 83 - HD21 LEU 86 2.50 7 0.12 0.36 + +++ +* + VdW O MET 83 - N LEU 86 2.75 6 0.11 0.47 ++ *+ + + VdW O MET 83 - CG LEU 86 2.90 6 0.16 0.72 + + + * + + VdW O MET 83 - HG LEU 86 2.30 6 0.19 0.97 ++ + * + + VdW O MET 83 - CD2 LEU 86 2.90 15 0.49 0.87 +++*++++++++ + ++ VdW O MET 83 - HD21 LEU 86 2.30 8 0.27 0.93 +++ + + +*+ VdW N LEU 84 - CD1 LEU 84 3.05 7 0.12 0.38 + +* ++ ++ VdW CA LEU 84 - HG LEU 87 2.60 8 0.16 0.57 ++ + +* ++ + VdW HA LEU 84 - CG LEU 87 2.60 10 0.22 0.67 ++ + +* ++++ + VdW HA LEU 84 - HG LEU 87 2.00 9 0.23 0.83 ++ + +* +++ + VdW HA LEU 84 - CD2 LEU 87 2.60 9 0.22 0.82 + + ++ ++ * ++ VdW CB LEU 84 - HB2 LEU 386 2.60 7 0.18 0.83 + + ++*+ + VdW CG LEU 84 - CD1 LEU 386 3.20 6 0.15 0.67 + + + + * + VdW HG LEU 84 - CD1 LEU 386 2.60 7 0.17 1.03 + + + + *+ + VdW C LEU 84 - N LEU 86 2.95 15 0.29 0.48 +++ ++++++++++ * + VdW C LEU 84 - H LEU 86 2.45 13 0.36 0.69 +* +++++++++ + + VdW C LEU 84 - CD1 LEU 87 3.10 8 0.17 0.55 ++ ++ ++ *+ VdW O LEU 84 - C GLU 85 2.80 8 0.17 0.45 + + ++* + + + VdW O LEU 84 - N LEU 86 2.75 15 0.41 0.82 +++ ++*++++ ++ +++ VdW O LEU 84 - N LEU 87 2.75 14 0.37 0.86 +++ + *++ +++++ ++ VdW O LEU 84 - H LEU 87 1.80 11 0.29 0.71 + + + +++ + ++ *+ VdW O LEU 84 - CG LEU 87 2.90 7 0.17 0.58 * ++ +++ + VdW O LEU 84 - CD1 LEU 87 2.90 11 0.40 1.03 ++ + ++ +*++ ++ VdW O LEU 84 - HD11 LEU 87 2.30 7 0.19 0.78 + + +* + ++ VdW O LEU 84 - HD12 LEU 87 2.30 7 0.17 0.64 ++ + *+ ++ VdW CD2 LEU 86 - C LEU 86 3.10 11 0.21 0.57 +* +++ +++ + ++ VdW CD2 LEU 86 - N LEU 87 3.05 12 0.22 0.48 ++ + *+ +++ ++++ VdW CG LEU 87 - H VAL 88 2.55 7 0.11 0.37 + +++ + *+ VdW CD1 LEU 87 - N VAL 88 3.05 9 0.27 0.69 ++ + ++ +*++ VdW CD1 LEU 87 - H VAL 88 2.55 11 0.43 1.04 +* + ++ ++++ ++ VdW CD1 LEU 87 - CG1 VAL 88 3.20 7 0.20 0.66 + + +* +++ VdW CD1 LEU 87 - HG13 VAL 88 2.60 6 0.13 0.57 * + + ++ + VdW CD1 LEU 87 - CD1 LEU 387 3.20 7 0.13 0.68 + + * + +++ VdW HD11 LEU 87 - N VAL 88 2.45 8 0.15 0.50 *+ + ++ +++ VdW HD11 LEU 87 - H VAL 88 1.95 9 0.26 0.84 +* + + ++++ + VdW O LEU 87 - C VAL 88 2.80 7 0.13 0.40 ++ ++ * + + VdW H VAL 88 - CG1 VAL 88 2.55 8 0.13 0.44 ++ ++ + + * + VdW CG1 VAL 88 - HA LEU 387 2.60 7 0.24 0.93 + +*+ +++ VdW CG1 VAL 88 - HB2 GLU 390 2.60 7 0.14 0.53 ++ +++ + * VdW CG2 VAL 88 - C VAL 88 2.90 12 0.16 0.33 + ++ ++++ +++ * + VdW CG2 VAL 88 - N LEU 89 3.05 6 0.15 0.45 + *+ + + + VdW CG2 VAL 88 - C GLU 390 3.10 7 0.24 0.77 + +*+ +++ VdW CG2 VAL 88 - O GLU 390 2.90 7 0.20 0.77 + +++ *++ VdW O VAL 88 - C LEU 89 2.80 6 0.16 0.32 + + ++ *+ VdW O VAL 88 - N GLN 91 2.75 13 0.27 0.62 +++ +++++ ++ +*+ VdW O VAL 88 - H GLN 91 1.80 6 0.14 0.53 ++ + + *+ VdW O VAL 88 - N PHE 92 2.75 7 0.13 0.41 + ++ * ++ + VdW O VAL 88 - H PHE 92 1.80 6 0.11 0.44 + ++ * ++ VdW CG LEU 89 - HD3 PRO 112 2.60 9 0.18 0.55 * ++ ++++ + + VdW CD2 LEU 89 - HD3 PRO 112 2.60 7 0.16 0.68 +*+++ ++ VdW CG GLN 91 - C GLN 91 2.90 8 0.16 0.24 ++ + * + ++ + VdW HG3 GLN 91 - C GLN 91 2.50 9 0.18 0.43 + + + + +++* + VdW NE2 GLN 91 - O GLN 91 2.75 9 0.18 0.42 +* + ++++ + + VdW HE21 GLN 91 - C GLN 91 2.45 6 0.14 0.58 * + + + + + VdW O GLN 91 - C PHE 92 2.80 17 0.27 0.47 ++++ + +++ ++++*++++ VdW O GLN 91 - N GLY 94 2.75 13 0.34 0.63 +++ +++ +++*+ ++ VdW O GLN 91 - H GLY 94 1.80 10 0.19 0.66 ++ ++ +++* ++ VdW HB2 PHE 92 - O GLU 390 2.30 7 0.17 0.76 *+ ++++ + VdW CE1 PHE 92 - C LEU 393 3.10 6 0.21 1.12 ++ + + + * VdW CE1 PHE 92 - O LEU 393 2.90 6 0.25 1.29 *+ + + + + VdW HE1 PHE 92 - CB ALA 115 2.60 6 0.13 0.78 + *+ + + + VdW CZ PHE 92 - C LEU 393 3.10 7 0.23 1.08 + ++ *++ + VdW CZ PHE 92 - O LEU 393 2.90 9 0.42 1.20 ++ +++ ++*+ VdW HZ PHE 92 - N ALA 116 2.45 8 0.25 0.92 ++ ++ +++ * VdW HZ PHE 92 - CA ALA 116 2.60 8 0.20 0.87 ++ + ++ ++ * VdW HZ PHE 92 - O LEU 393 2.30 8 0.32 1.18 ++ +++ *++ VdW CD2 PHE 92 - C PHE 92 3.10 10 0.22 0.75 ++ ++ + ++ ++ * VdW CD2 PHE 92 - N LEU 93 3.05 8 0.27 1.13 ++ *++ ++ + VdW HD2 PHE 92 - C PHE 92 2.50 6 0.19 0.85 ++ +* + + VdW HD2 PHE 92 - N LEU 93 2.45 8 0.21 0.81 ++ +* + + + + VdW C PHE 92 - N GLY 94 2.95 6 0.14 0.47 + *++ + + VdW C PHE 92 - H GLY 94 2.45 6 0.12 0.70 + *++ + + VdW O PHE 92 - C LEU 93 2.80 7 0.15 0.47 + + *+ ++ + VdW O PHE 92 - N GLY 94 2.75 6 0.24 1.11 + ++* + + VdW HA LEU 93 - CD1 LEU 93 2.60 6 0.12 0.43 + + *+ + + VdW O LEU 93 - CG GLN 101 2.90 8 0.16 0.53 *++ ++ ++ + VdW O LEU 93 - HG3 GLN 101 2.30 9 0.21 0.64 ++ +*+ ++ ++ VdW O ALA 95 - C LEU 96 2.80 6 0.12 0.41 *+ + + + + VdW CA LEU 96 - CD1 LEU 96 3.00 7 0.10 0.27 + + + * ++ + VdW HA LEU 96 - CD PRO 97 2.60 13 0.21 0.29 + + +++++*++ +++ VdW CB LEU 96 - HB2 GLN 101 2.60 6 0.12 0.32 + + ++* + VdW HB2 LEU 96 - CB GLN 101 2.60 6 0.13 0.51 + + + + + * VdW HB2 LEU 96 - CG GLN 101 2.60 9 0.16 0.42 +++* + + + + + VdW HB2 LEU 96 - HG3 GLN 101 2.00 14 0.28 0.54 ++++ + +++ *++++ + VdW CD1 LEU 96 - CG1 VAL 119 3.20 7 0.12 0.45 ++ + * +++ VdW CD2 LEU 96 - CG1 VAL 119 3.20 6 0.12 0.50 * + + +++ VdW C LEU 96 - HB2 GLN 101 2.50 11 0.20 0.46 ++ * ++ + ++++ + VdW O LEU 96 - NE2 GLN 101 2.75 17 0.36 0.84 ++++*+ +++ ++++++++ VdW O LEU 96 - HE21 GLN 101 1.80 16 0.28 0.43 ++++ + +++ ++*+++++ VdW CD PRO 97 - HG12 ILE 100 2.60 9 0.19 0.42 + ++ + ++ ++ * VdW HD2 PRO 97 - CG1 ILE 100 2.60 10 0.22 0.52 + + + + ++ + +*+ VdW HD2 PRO 97 - HG12 ILE 100 2.00 15 0.42 0.78 +++* +++ ++++++++ VdW O PRO 97 - N GLN 101 2.75 12 0.18 0.29 +++ + + * ++++ + + VdW O PRO 97 - CB GLN 101 2.90 17 0.42 0.62 +*++++ +++ ++++++++ VdW O PRO 97 - HB2 GLN 101 2.30 10 0.22 0.54 + + + + ++ ++ +* VdW O PRO 97 - HB3 GLN 101 2.30 8 0.17 0.44 ++ + * +++ + VdW N ILE 100 - CG2 ILE 100 2.85 6 0.14 0.24 + + + ++ * VdW CB ILE 100 - O VAL 119 2.90 6 0.10 0.28 + + + + + * VdW HB ILE 100 - O VAL 119 2.30 9 0.17 0.64 + + +++ + + * + VdW HB ILE 100 - HA ASP 120 2.00 6 0.18 0.80 ++ +++ * VdW CG1 ILE 100 - C ILE 100 2.90 15 0.21 0.32 ++++ +++ +++++++* VdW HG13 ILE 100 - C ILE 100 2.50 15 0.25 0.53 ++++ +++ ++++*+++ VdW CD1 ILE 100 - CG2 VAL 119 3.20 11 0.17 0.35 +++ + +* + ++ + + VdW O GLN 101 - CG1 VAL 104 2.90 11 0.26 0.60 +*+ ++++ +++ + VdW O GLN 101 - HG12 VAL 104 2.30 6 0.12 0.47 *++ + + + VdW CB ARG 103 - CD1 LEU 122 3.20 7 0.13 0.48 ++ *+++ + VdW HA VAL 104 - HE21 GLN 107 1.95 6 0.12 0.44 + + + * + + VdW CG2 VAL 104 - CD1 LEU 118 3.20 12 0.19 0.53 ++++ +*++ +++ + VdW O VAL 104 - N GLN 107 2.75 8 0.16 0.29 + + + +++ + * VdW N ARG 108 - CD PRO 109 3.05 6 0.12 0.33 + ++ + * + VdW CB PRO 109 - H GLY 110 2.55 6 0.11 0.37 + * + ++ + VdW HB3 PRO 109 - CD2 LEU 118 2.60 9 0.16 0.72 + + +* ++++ + VdW CB PRO 112 - CA GLU 390 3.20 6 0.16 0.75 * ++++ + VdW CB PRO 112 - HA GLU 390 2.60 7 0.26 1.13 +* ++++ + VdW CG PRO 112 - CA GLU 390 3.20 10 0.29 0.86 ++ ++ ++++ * + VdW CG PRO 112 - HA GLU 390 2.60 10 0.41 1.28 ++ ++ +*++ + + VdW CG PRO 112 - CB GLU 390 3.20 7 0.15 0.52 ++ + + * + + VdW HG2 PRO 112 - H GLU 113 1.95 8 0.12 0.28 + + + + *+ ++ VdW HG3 PRO 112 - CA GLU 390 2.60 9 0.26 1.18 + ++ ++++ * + VdW HG3 PRO 112 - CB GLU 390 2.60 9 0.31 0.82 ++ +++ *+ + + VdW HG3 PRO 112 - HB3 GLU 390 2.00 7 0.17 0.74 +* + + + + + VdW HG3 PRO 112 - CG GLU 390 2.60 9 0.24 0.71 ++ ++ +*++ + VdW C PRO 112 - H GLU 114 2.45 7 0.17 0.61 + +* ++ + + VdW CA GLU 113 - CD1 LEU 393 3.20 6 0.13 0.61 + * + + + + VdW HA GLU 113 - CB LEU 393 2.60 9 0.22 0.90 +++* + +++ + VdW CG GLU 113 - CD1 LEU 389 3.20 6 0.13 0.63 + + +*+ + VdW C GLU 113 - CD2 LEU 393 3.10 8 0.29 1.05 + + +++* + + VdW C GLU 113 - HD23 LEU 393 2.50 6 0.14 0.88 + + * ++ + VdW O GLU 113 - CD2 LEU 393 2.90 8 0.25 0.93 + + + ++*+ + VdW CG GLU 114 - C GLU 114 2.90 15 0.19 0.24 ++++ + +++*+ +++ ++ VdW HG3 GLU 114 - C GLU 114 2.50 15 0.35 0.52 ++++ + +++ *+ +++++ VdW O GLU 114 - CD2 LEU 118 2.90 7 0.15 0.39 *+ +++ + + VdW O GLU 114 - NE2 GLN 405 2.75 9 0.17 0.52 ++ + + ++ * + + VdW HA ALA 115 - CG LEU 118 2.60 10 0.19 0.58 + ++ ++ ++ +* + VdW HA ALA 115 - HG LEU 118 2.00 10 0.20 0.57 +++ *+ +++++ VdW O ALA 115 - HG LEU 118 2.30 6 0.10 0.53 ++ + + + * VdW O ALA 115 - CG1 VAL 119 2.90 10 0.22 1.03 +++ + +++ + + * VdW CB ALA 116 - CA LEU 393 3.20 12 0.46 1.49 ++++ +*+ +++ + + VdW CB ALA 116 - HA LEU 393 2.60 8 0.30 1.25 ++ ++ * + + + VdW CB ALA 116 - CB LEU 393 3.20 10 0.37 1.19 ++ +*+ ++++ + VdW CB ALA 116 - CG LEU 393 3.20 10 0.43 1.19 ++ +*+ ++++ + VdW CB ALA 116 - HG LEU 393 2.60 6 0.33 1.46 + + ++*+ VdW CB ALA 116 - C LEU 393 3.10 10 0.39 1.12 ++++ ++ ++ + * VdW CB ALA 116 - O LEU 393 2.90 9 0.35 1.06 +++ ++ ++ + * VdW HB1 ALA 116 - CA LEU 393 2.60 8 0.21 0.88 + +++ *+ + + VdW HB2 ALA 116 - CA LEU 393 2.60 7 0.26 1.31 +++ ++ * + VdW HB3 ALA 116 - CA LEU 393 2.60 6 0.19 1.32 ++ * + + + VdW HB3 ALA 116 - CG LEU 393 2.60 7 0.23 0.96 +* ++ ++ + VdW HB3 ALA 116 - C LEU 393 2.50 6 0.15 0.82 ++* + + + VdW C ALA 116 - CD GLN 401 3.00 7 0.18 0.78 ++ +++ * + VdW C ALA 116 - OE1 GLN 401 2.80 7 0.12 0.66 ++ +++ * + VdW O ALA 116 - CG GLN 401 2.90 8 0.30 1.07 ++ ++* ++ + VdW O ALA 116 - HG2 GLN 401 2.30 8 0.22 0.88 ++ +++ +* + VdW O ALA 116 - CD GLN 401 2.80 7 0.30 1.10 ++ ++* + + VdW CB ALA 117 - NE2 GLN 405 3.05 8 0.23 0.72 *+ +++ ++ + VdW HB1 ALA 117 - NE2 GLN 405 2.45 6 0.12 0.58 * +++ + + VdW H LEU 118 - CG LEU 118 2.55 6 0.10 0.35 *++ + + + VdW H LEU 118 - HG LEU 118 1.95 6 0.09 0.30 +++ + * + VdW O LEU 118 - HG LEU 122 2.30 6 0.15 0.54 +* ++++ VdW H VAL 119 - CG1 VAL 119 2.55 6 0.14 0.43 +++ * + + VdW CG2 VAL 119 - C VAL 119 2.90 6 0.14 0.32 +++ * + + VdW CG2 VAL 119 - N ASP 120 3.05 11 0.25 0.57 ++++ + ++ + *++ VdW CG2 VAL 119 - H ASP 120 2.55 7 0.18 0.57 + +* + +++ VdW CG2 VAL 119 - HE22 GLN 401 2.55 6 0.17 0.98 ++ *+ + + VdW O VAL 119 - CD1 LEU 122 2.90 6 0.11 0.46 +++ + * + VdW CB ASP 120 - HA PRO 398 2.60 6 0.11 0.45 ++ + + * + VdW CB ASP 120 - CB GLN 401 3.20 6 0.14 0.85 + + +*++ VdW CB ASP 120 - CG GLN 401 3.20 6 0.15 0.54 *+ ++ + + VdW CB ASP 120 - HG3 GLN 401 2.60 6 0.11 0.43 +* ++ + + VdW HB2 ASP 120 - CG GLN 401 2.60 6 0.16 0.82 ++ ++ * + VdW HB2 ASP 120 - CD GLN 401 2.50 6 0.22 0.87 *+ +++ + VdW HB2 ASP 120 - NE2 GLN 401 2.45 6 0.11 0.58 ++ ++* + VdW HB3 ASP 120 - CB GLN 401 2.60 7 0.15 0.50 ++ + + + *+ VdW HB3 ASP 120 - HB2 GLN 401 2.00 6 0.14 0.63 ++ + + * + VdW O LEU 122 - C ARG 123 2.80 12 0.24 0.48 + +++++++*+ ++ VdW O LEU 122 - N ARG 124 2.75 6 0.15 0.45 ++ *+ + + VdW CB PRO 338 - H GLY 339 2.55 7 0.09 0.27 + + ++ * + + VdW HA3 GLY 339 - CD PRO 340 2.60 12 0.16 0.30 ++ + +*+ +++ +++ VdW O PRO 340 - HB2 TRP 372 2.30 11 0.19 0.43 ++ ++ ++ *+ + ++ VdW CB ALA 343 - O GLN 371 2.90 7 0.09 0.42 + + *+ +++ VdW HB3 ARG 344 - CD2 TRP 372 2.60 9 0.16 0.48 ++ ++*++ + + VdW CD1 LEU 345 - C LEU 345 3.10 8 0.14 0.40 +++ + + + +* VdW CB PHE 347 - CB LEU 368 3.20 16 0.33 0.67 ++++++++ + ++++ ++ * VdW CB PHE 347 - HB3 LEU 368 2.60 15 0.35 0.77 +++*++ + + ++ ++++ + VdW CB PHE 347 - CG LEU 368 3.20 6 0.13 0.49 + ++ ++ * VdW HB2 PHE 347 - CB LEU 368 2.60 14 0.38 0.87 *+++ + +++++ + ++ + VdW HB2 PHE 347 - HB3 LEU 368 2.00 10 0.27 0.81 ++++ ++ +* ++ VdW HB2 PHE 347 - CG LEU 368 2.60 8 0.15 0.50 ++ + + + + * + VdW HB3 PHE 347 - CB LEU 368 2.60 6 0.15 0.71 + + +* ++ VdW HB3 PHE 347 - HB3 LEU 368 2.00 9 0.18 0.74 ++ + + + ++ +* VdW CG PHE 347 - C PHE 347 2.90 11 0.19 0.25 +++ + * ++++ ++ VdW CD1 PHE 347 - C PHE 347 3.10 9 0.22 0.73 ++ + * +++ + + VdW HD1 PHE 347 - N ARG 348 2.45 7 0.15 0.62 ++ + * ++ + VdW CG ARG 348 - C ARG 348 2.90 7 0.11 0.23 +* + + + ++ VdW C ARG 348 - H PHE 350 2.45 10 0.23 0.50 +++ + * + ++ ++ VdW CE1 PHE 350 - HA ALA 361 2.60 8 0.19 0.84 +* ++ + ++ + VdW CZ PHE 350 - CA ALA 361 3.20 9 0.21 0.68 ++ * +++ + + + VdW CZ PHE 350 - HA ALA 361 2.60 8 0.22 1.10 ++ * +++ + + VdW CZ PHE 350 - CB ALA 361 3.20 13 0.32 0.96 +++ +++ ++ ++*++ VdW CZ PHE 350 - HB3 ALA 361 2.60 6 0.10 0.58 + + ++* + VdW CE2 PHE 350 - CB ALA 361 3.20 6 0.11 0.52 + * + ++ + VdW CD2 PHE 350 - N HIS 351 3.05 6 0.15 0.83 +++ + *+ VdW CG HIS 351 - C HIS 351 2.90 14 0.22 0.25 +++++++ ++ + +* ++ VdW CE1 HIS 351 - O TYR 352 2.90 10 0.24 0.63 ++++ + + *+ ++ VdW CB TYR 352 - O ALA 395 2.90 10 0.27 0.78 ++ +*+ +++ + + VdW CD1 TYR 352 - O ALA 395 2.90 6 0.17 1.19 +* + + + + VdW CD1 TYR 352 - HA LEU 396 2.60 9 0.25 0.89 ++ +++ ++ * + VdW HD1 TYR 352 - O ALA 395 2.30 6 0.19 1.18 +* + + + + VdW CE1 TYR 352 - HB3 PRO 358 2.60 6 0.11 0.71 ++ + + + * VdW CE1 TYR 352 - HB2 LEU 396 2.60 6 0.25 1.13 ++ + * ++ VdW CE1 TYR 352 - CD PRO 397 3.20 7 0.15 0.57 + +++ + * + VdW HE1 TYR 352 - HB2 LEU 396 2.00 6 0.24 1.07 *+ + + ++ VdW HE1 TYR 352 - CD PRO 397 2.60 6 0.14 0.80 + +* + + + VdW CD2 TYR 352 - C TYR 352 3.10 10 0.23 0.65 + + +*++++ ++ VdW HD2 TYR 352 - C TYR 352 2.50 10 0.23 0.61 *++ +++++ + + VdW HD2 TYR 352 - N GLU 353 2.45 9 0.18 0.45 + ++*++ + ++ VdW OH TYR 352 - CD PRO 358 2.90 6 0.13 0.56 ++ + + *+ VdW OH TYR 352 - HD3 PRO 358 2.30 10 0.30 0.89 +++ ++* + ++ + VdW H GLU 353 - CG GLU 353 2.55 6 0.15 0.32 + * + + ++ VdW C GLU 353 - N ALA 355 2.95 8 0.19 0.44 *+ ++++ + + VdW C GLU 353 - H ALA 355 2.45 6 0.17 0.56 +*+ ++ + VdW O GLU 353 - N ALA 355 2.75 8 0.22 0.67 *+ +++ + ++ VdW O GLU 353 - N THR 356 2.75 8 0.18 0.51 + * ++++ + + VdW O GLU 353 - H THR 356 1.80 7 0.14 0.45 + + ++ + * + VdW OG1 THR 356 - HB2 GLU 360 2.30 7 0.11 0.35 ++ *+ ++ + VdW OG1 THR 356 - CD GLU 360 2.80 11 0.18 0.47 ++ + + ++ *++ + + VdW CG2 THR 356 - CG GLU 360 3.20 16 0.24 0.48 ++++ +++ ++++++++* VdW CG2 THR 356 - HG2 GLU 360 2.60 9 0.18 0.58 + +* ++ ++++ VdW CG PRO 358 - CG1 VAL 419 3.20 7 0.16 0.48 + ++ ++*+ VdW CG PRO 358 - CG2 VAL 419 3.20 11 0.20 0.50 ++++ *++ ++++ VdW HG2 PRO 358 - H GLN 359 1.95 7 0.14 0.28 + + * ++ + + VdW HG2 PRO 358 - O ALA 416 2.30 14 0.33 0.89 ++ + +++ +++*++++ VdW HG3 PRO 358 - CG1 VAL 419 2.60 10 0.23 0.64 ++ +++ ++*++ VdW HG3 PRO 358 - HG13 VAL 419 2.00 6 0.09 0.37 * + +++ + VdW HG3 PRO 358 - CG2 VAL 419 2.60 14 0.36 0.87 ++++ *++ +++++ ++ VdW HG3 PRO 358 - HG23 VAL 419 2.00 6 0.12 0.51 +* ++ + + VdW HD2 PRO 358 - HB2 ASP 420 2.00 8 0.17 0.47 *++ + ++ + + VdW O PRO 358 - C GLN 359 2.80 11 0.18 0.48 ++ + + +*+++++ VdW O PRO 358 - N GLU 360 2.75 6 0.14 0.67 + * + + + + VdW O PRO 358 - N ALA 361 2.75 9 0.21 0.70 + + +*+++++ VdW O PRO 358 - H ALA 361 1.80 10 0.17 0.67 ++ * + +++++ + VdW N GLN 359 - NE2 GLN 359 2.90 7 0.12 0.33 + + + + + * + VdW N GLN 359 - CB ALA 416 3.05 13 0.39 0.84 ++ + +++ +++*+++ VdW N GLN 359 - HB3 ALA 416 2.45 6 0.24 1.07 * ++ + + + VdW H GLN 359 - HE21 GLN 359 1.90 9 0.16 0.32 ++ + ++* ++ + VdW CA GLN 359 - HE21 GLN 359 2.55 6 0.12 0.27 * ++ + ++ VdW CA GLN 359 - CB ALA 416 3.20 15 0.45 0.77 ++++ +++ +++++++* VdW CA GLN 359 - HB1 ALA 416 2.60 7 0.24 0.86 *++ ++ + + VdW CA GLN 359 - HB2 ALA 416 2.60 6 0.20 1.21 + + + ++ * VdW CA GLN 359 - HB3 ALA 416 2.60 6 0.22 1.16 + +* + + + VdW HA GLN 359 - CB ALA 416 2.60 15 0.45 0.90 ++*+ +++ ++++++++ VdW HA GLN 359 - HB1 ALA 416 2.00 6 0.19 1.07 ++ + +* + VdW HA GLN 359 - HB2 ALA 416 2.00 6 0.17 0.84 + + + + + * VdW CB GLN 359 - HE21 GLN 359 2.55 13 0.23 0.35 +++ + ++ +*++++ + VdW CB GLN 359 - C ALA 416 3.10 6 0.10 0.41 * + ++ + + VdW CB GLN 359 - N ALA 417 3.05 9 0.19 0.53 * ++ + + + +++ VdW HB3 GLN 359 - C ALA 416 2.50 8 0.18 0.41 + ++ ++ ++* VdW HB3 GLN 359 - N ALA 417 2.45 9 0.22 0.76 ++ * + + ++++ VdW HB3 GLN 359 - CA ALA 417 2.60 7 0.15 0.52 + + + + *++ VdW HB3 GLN 359 - HA ALA 417 2.00 6 0.13 0.61 ++ +++ * VdW CG GLN 359 - C GLN 359 2.90 9 0.13 0.23 + * + ++ +++ + VdW HG2 GLN 359 - C GLN 359 2.50 7 0.14 0.33 + ++ ++* + VdW CD GLN 359 - N GLU 360 2.95 8 0.16 0.37 +++ + +*+ + VdW CD GLN 359 - H GLU 360 2.45 7 0.15 0.42 ++ * + ++ + VdW HG3 GLU 360 - C GLU 360 2.50 14 0.21 0.43 ++ +* ++++++ ++++ VdW O GLU 360 - CG GLN 364 2.90 8 0.19 0.58 + + * + + + ++ VdW O GLU 360 - HG2 GLN 364 2.30 9 0.17 0.46 ++ ++ ++*+ + VdW O GLU 360 - NE2 GLN 364 2.75 7 0.14 0.42 * + + + ++ + VdW O ALA 361 - CG LEU 365 2.90 8 0.21 0.76 ++ + + + *+ + VdW O ALA 361 - CD1 LEU 365 2.90 9 0.20 0.71 ++ +++ + +*+ VdW O ALA 361 - CD2 LEU 365 2.90 6 0.11 0.75 * + ++ + + VdW HB3 LEU 362 - HB2 PRO 412 2.00 7 0.15 0.65 + *+ ++ + + VdW CG LEU 362 - CB PRO 412 3.20 6 0.11 0.49 * ++ +++ VdW CG LEU 362 - HB2 PRO 412 2.60 9 0.18 0.59 ++ + +*+ +++ VdW HG LEU 362 - CA PRO 412 2.60 7 0.16 0.57 + +* +++ + VdW CD1 LEU 362 - CB PHE 392 3.20 7 0.17 0.70 ++++ ++ * VdW CD1 LEU 362 - CG PHE 392 3.20 6 0.16 0.93 *+ + + + + VdW CD1 LEU 362 - HD2 PHE 392 2.60 6 0.15 0.90 + + + ++ * VdW CD1 LEU 362 - C PRO 412 3.10 6 0.15 0.71 +* + + + + VdW CD1 LEU 362 - O PRO 412 2.90 6 0.15 0.56 ++ + * + + VdW CD2 LEU 362 - CB PHE 392 3.20 6 0.17 0.76 +*+ + + + VdW N GLN 364 - CG GLN 364 2.85 7 0.17 0.21 + + *+ +++ VdW N GLN 364 - HG2 GLN 364 2.45 14 0.27 0.45 +*++ +++ +++++++ VdW H GLN 364 - CG GLN 364 2.55 12 0.20 0.35 +++ ++ + +++* ++ VdW H GLN 364 - HG2 GLN 364 1.95 15 0.30 0.58 ++++ +++ +++++*++ VdW HB3 LEU 365 - CB VAL 388 2.60 6 0.19 0.78 +++ + * + VdW HB3 LEU 365 - HB VAL 388 2.00 8 0.17 0.82 +++ + * + ++ VdW O LEU 365 - SG CYS 369 3.10 11 0.30 0.87 + ++ ++++*+ ++ VdW N ARG 366 - HB VAL 388 2.45 6 0.11 0.48 +*++ + + VdW CA ARG 366 - SG CYS 369 3.40 10 0.18 0.54 ++ ++ * ++++ + VdW HA ARG 366 - SG CYS 369 2.80 11 0.25 0.60 ++ ++ + +++* + + VdW CG GLU 367 - C GLU 367 2.90 17 0.21 0.24 ++++ * +++ +++++++++ VdW CG GLU 367 - N LEU 368 3.05 8 0.16 0.48 + * ++ +++ + VdW O GLU 367 - HB3 ARG 370 2.30 6 0.11 0.50 + + *++ + VdW CA LEU 368 - CD1 LEU 368 3.00 13 0.18 0.27 ++ +++ ++ +++ + *+ VdW HA LEU 368 - CD1 LEU 368 2.60 15 0.29 0.48 ++ ++++++ ++* ++++ VdW CA CYS 369 - HE3 TRP 372 2.60 12 0.30 0.65 + ++++ + +++++* VdW HA CYS 369 - HE3 TRP 372 2.00 8 0.21 0.77 + + +* +++ + VdW CB CYS 369 - CE3 TRP 372 3.20 9 0.16 0.47 + ++ +++++ * VdW CB CYS 369 - HE3 TRP 372 2.60 9 0.17 0.52 + ++ ++*+++ VdW CB CYS 369 - CZ3 TRP 372 3.20 9 0.20 0.63 + +* + + +++ + VdW CB CYS 369 - HZ3 TRP 372 2.60 9 0.21 0.83 + +*+ + + + ++ VdW HB2 CYS 369 - CE3 TRP 372 2.60 6 0.13 0.75 + ++ ++ * VdW HB2 CYS 369 - CZ3 TRP 372 2.60 6 0.17 0.82 + ++ ++ * VdW HB2 CYS 369 - HZ3 TRP 372 2.00 6 0.15 0.59 + + + * ++ VdW SG CYS 369 - CZ3 TRP 372 3.40 6 0.22 1.20 + * ++ + + VdW SG CYS 369 - HZ3 TRP 372 2.80 7 0.16 0.67 + * +++ + + VdW SG CYS 369 - CB LEU 384 3.40 6 0.13 0.68 + + *+++ VdW SG CYS 369 - HB3 LEU 384 2.80 9 0.24 0.99 ++ + ++ *+++ VdW C CYS 369 - HE3 TRP 372 2.50 7 0.14 0.58 +++ + + + * VdW O CYS 369 - C ARG 370 2.80 10 0.18 0.41 + +++ + + + + *+ VdW O CYS 369 - HE3 TRP 372 2.30 11 0.22 0.87 + + +++ + +++ + * VdW CA ARG 370 - HB2 ARG 374 2.60 9 0.21 0.66 + ++ ++ +* ++ VdW HA ARG 370 - HB2 ARG 374 2.00 8 0.26 0.82 + + * ++++ + VdW CG ARG 370 - C ARG 370 2.90 8 0.12 0.23 + ++ + *+ ++ VdW CG ARG 370 - N GLN 371 3.05 7 0.15 0.45 + + ++ *+ + VdW CD ARG 370 - C ARG 370 3.10 6 0.12 0.46 ++++ + * VdW C ARG 370 - N TRP 372 2.95 9 0.19 0.40 +++ +++ + + * VdW C ARG 370 - H TRP 372 2.45 16 0.42 0.71 ++++++ ++++++++ +* VdW O ARG 370 - N TRP 372 2.75 11 0.27 0.58 +++*+ ++ + + ++ VdW O ARG 370 - H TRP 372 1.80 8 0.16 0.52 ++ * ++ + ++ VdW O ARG 370 - CB ARG 374 2.90 6 0.11 0.52 + + + * ++ VdW H GLN 371 - CG GLN 371 2.55 7 0.18 0.41 + + +*++ + VdW H GLN 371 - HG2 GLN 371 1.95 12 0.21 0.58 + +++ ++ + ++*+ + VdW CG TRP 372 - C TRP 372 2.90 16 0.22 0.26 +++ ++++ ++++ ++ ++* VdW CH2 TRP 372 - HG LEU 387 2.60 7 0.15 0.69 +* + +++ + VdW HH2 TRP 372 - HG LEU 387 2.00 10 0.29 0.98 ++ + * ++++++ VdW CG LEU 373 - O LEU 373 2.90 6 0.15 0.59 + + * ++ + VdW HG LEU 373 - O LEU 373 2.30 6 0.18 0.94 + + * ++ + VdW CD1 LEU 373 - HB3 MET 383 2.60 6 0.13 0.61 ++ + ++ * VdW CD2 LEU 373 - CD2 LEU 387 3.20 6 0.16 0.57 * + ++++ VdW HD23 LEU 373 - CD2 LEU 387 2.60 7 0.15 0.59 + *+ ++++ VdW O LEU 373 - O ARG 374 2.60 9 0.21 0.84 + ++++ ++ * + VdW O LEU 373 - CG2 VAL 377 2.90 6 0.16 0.75 +* ++ + + VdW O LEU 373 - CE MET 383 2.90 9 0.21 0.64 +++ ++ + + * + VdW O LEU 373 - HE2 MET 383 2.30 6 0.18 0.84 + * + + + + VdW HA ARG 374 - CD PRO 375 2.60 7 0.10 0.30 + +++ +* + VdW CB ARG 374 - CD PRO 375 3.20 12 0.50 1.00 + ++ ++ +*++++ + VdW CB ARG 374 - HD2 PRO 375 2.60 11 0.28 0.90 + ++ ++ ++++*+ VdW CB ARG 374 - HD3 PRO 375 2.60 11 0.28 0.55 + +* ++ ++++ + + VdW HB3 ARG 374 - CD PRO 375 2.60 12 0.60 1.22 + ++ ++ +*++++ + VdW HB3 ARG 374 - HD2 PRO 375 2.00 11 0.45 1.30 + ++ ++ +*++++ VdW HB3 ARG 374 - HD3 PRO 375 2.00 11 0.29 0.97 + *+ ++ ++++ + + VdW CG ARG 374 - CD PRO 375 3.20 9 0.21 0.72 + + ++ +++*+ VdW CG ARG 374 - HD3 PRO 375 2.60 9 0.28 0.74 * + ++ +++++ VdW CG ARG 374 - CA LYS 380 3.20 8 0.13 0.58 + + ++ * ++ + VdW CG ARG 374 - HA LYS 380 2.60 9 0.24 0.76 + + ++ ++++ * VdW HG2 ARG 374 - HD3 PRO 375 2.00 6 0.14 0.60 + + ++ *+ VdW HG2 ARG 374 - HA LYS 380 2.00 6 0.18 0.81 +* + +++ VdW CD ARG 374 - HD3 PRO 375 2.60 6 0.16 0.62 + * ++ + + VdW C ARG 374 - O SER 379 2.80 6 0.17 0.97 + +++ + * VdW O ARG 374 - O SER 379 2.60 7 0.15 0.49 + + +*++ + VdW O ARG 374 - CE MET 383 2.90 15 0.30 0.69 + + ++++++ ++++*+ + VdW O ARG 374 - HE2 MET 383 2.30 7 0.12 0.42 ++++ +* + VdW CG GLU 376 - C GLU 376 2.90 6 0.15 0.24 + + + + + * VdW HG3 GLU 376 - C GLU 376 2.50 6 0.12 0.30 * + ++ + + VdW O VAL 377 - CG ARG 378 2.90 12 0.20 0.47 ++++ ++* +++ + + VdW O VAL 377 - HG2 ARG 378 2.30 11 0.24 0.52 ++++ ++* +++ + VdW CB ARG 378 - N SER 379 2.85 6 0.18 0.21 * ++ + + + VdW CB ARG 378 - H SER 379 2.55 19 0.34 0.40 * ++++++++++++++++++ VdW CB ARG 378 - SD MET 383 3.40 9 0.16 0.46 + ++ + + ++ *+ VdW HB2 ARG 378 - SD MET 383 2.80 14 0.38 0.91 + +++ +++++ ++ * ++ VdW HB3 ARG 378 - H SER 379 1.95 10 0.22 0.48 + ++ + ++++ * + VdW CB SER 379 - HB2 GLN 382 2.60 6 0.13 0.48 + * + + ++ VdW O SER 379 - CE MET 383 2.90 8 0.17 0.61 + +++ +* ++ VdW C LYS 380 - H GLN 382 2.45 7 0.10 0.32 +*++ ++ + VdW O LYS 380 - HG LEU 384 2.30 7 0.17 0.57 + + * + + ++ VdW O GLU 381 - CG GLU 385 2.90 8 0.18 0.39 +++ + *+ ++ VdW O GLU 381 - HG2 GLU 385 2.30 7 0.16 0.45 + + + ++* + VdW O GLN 382 - CG GLU 385 2.90 8 0.14 0.47 + ++ + + + + * VdW HB2 MET 383 - CE MET 383 2.60 11 0.25 0.59 +++ + ++ + + +*+ VdW C MET 383 - CD2 LEU 386 3.10 10 0.29 0.74 +++*+ ++ +++ VdW C MET 383 - HD22 LEU 386 2.50 6 0.17 0.81 ++ + ++* VdW O MET 383 - C LEU 384 2.80 10 0.18 0.47 + ++ ++ + +* + + VdW O MET 383 - N GLU 385 2.75 6 0.14 0.51 ++ +* + + VdW O MET 383 - N LEU 386 2.75 12 0.26 0.66 + ++ ++ ++ +* + ++ VdW O MET 383 - H LEU 386 1.80 11 0.22 0.62 + ++ + ++ ++ * ++ VdW O MET 383 - CG LEU 386 2.90 8 0.18 0.57 + +*++ +++ VdW O MET 383 - CD2 LEU 386 2.90 18 0.59 1.05 ++++++++*+ + +++++++ VdW O MET 383 - HD21 LEU 386 2.30 7 0.23 1.01 ++++* + + VdW O MET 383 - HD22 LEU 386 2.30 10 0.28 0.78 ++ + + + ++*+ + VdW O MET 383 - HD23 LEU 386 2.30 6 0.21 1.13 + + +*+ + VdW N LEU 384 - CD1 LEU 384 3.05 9 0.19 0.62 ++ + + ++* ++ VdW N LEU 384 - HD11 LEU 384 2.45 6 0.12 0.47 + + + *++ VdW N LEU 384 - CD2 LEU 384 3.05 9 0.18 0.51 ++ + + *++++ VdW H LEU 384 - CD2 LEU 384 2.55 6 0.18 0.76 +* + ++ + VdW C LEU 384 - N LEU 386 2.95 12 0.21 0.39 + +++ + *+++++ + VdW C LEU 384 - H LEU 386 2.45 10 0.23 0.52 ++ + *+++++ + VdW C LEU 384 - CD2 LEU 386 3.10 8 0.19 0.67 ++ +++ + * + VdW C LEU 384 - HD23 LEU 386 2.50 6 0.13 0.57 ++ + * ++ VdW O LEU 384 - N LEU 386 2.75 11 0.22 0.53 + +++ + * ++++ + VdW O LEU 384 - CD2 LEU 386 2.90 8 0.15 0.60 ++ + + + ++ * VdW O LEU 384 - N LEU 387 2.75 6 0.13 0.51 + *+++ + VdW O LEU 384 - CG1 VAL 388 2.90 8 0.17 0.66 +++ + + +* + VdW O GLU 385 - HB3 LEU 389 2.30 10 0.22 0.69 *+ + ++ +++ ++ VdW N LEU 386 - CD2 LEU 386 3.05 11 0.31 0.85 ++ ++* ++ ++++ VdW H LEU 386 - CD2 LEU 386 2.55 11 0.34 1.03 ++ +++ ++ *+++ VdW H LEU 386 - HD21 LEU 386 1.95 7 0.16 0.59 * + ++ ++ + VdW H LEU 386 - HD23 LEU 386 1.95 6 0.16 0.80 ++ + * ++ VdW CA LEU 386 - CD2 LEU 386 3.00 8 0.14 0.27 *+ +++ + + + VdW HG LEU 386 - CD1 LEU 387 2.60 6 0.15 0.70 + + + ++* VdW CD2 LEU 386 - C LEU 386 3.10 6 0.12 0.57 ++*+ + + VdW CD2 LEU 386 - N LEU 387 3.05 11 0.25 0.75 ++ ++++ * ++++ VdW CD2 LEU 386 - H LEU 387 2.55 9 0.31 0.99 ++ +++ * +++ VdW CD2 LEU 386 - CD2 LEU 387 3.20 8 0.19 0.63 ++ + + +++* VdW H LEU 387 - CD2 LEU 387 2.55 6 0.18 0.76 + + *+ + + VdW O LEU 387 - N GLN 391 2.75 10 0.26 1.04 ++ + + ++++ +* VdW O LEU 387 - HB3 GLN 391 2.30 6 0.13 0.74 + + + + +* VdW H VAL 388 - CG1 VAL 388 2.55 7 0.11 0.31 ++ * + + + + VdW CG2 VAL 388 - C VAL 388 2.90 11 0.16 0.32 ++ *+ + ++ +++ + VdW CG2 VAL 388 - N LEU 389 3.05 8 0.15 0.46 ++ ++ + + *+ VdW C VAL 388 - N GLU 390 2.95 6 0.14 0.46 + + + ++* VdW C VAL 388 - H GLU 390 2.45 6 0.17 0.79 + + ++* + VdW O VAL 388 - N GLN 391 2.75 8 0.18 0.47 ++ *+++ ++ VdW O VAL 388 - H GLN 391 1.80 7 0.13 0.48 ++ *+++ + VdW CA LEU 389 - CD2 LEU 389 3.00 7 0.09 0.26 + + + ++ +* VdW CA LEU 389 - HB3 PRO 412 2.60 9 0.24 0.84 +* +++ + ++ + VdW HA LEU 389 - CB PRO 412 2.60 7 0.17 0.78 *++ + + + + VdW HA LEU 389 - HB3 PRO 412 2.00 10 0.33 1.09 +*+ + + ++++ + VdW CG LEU 389 - HD3 PRO 412 2.60 9 0.19 0.79 ++ + * + +++ + VdW HG LEU 389 - HD3 PRO 412 2.00 6 0.16 0.82 * + ++ ++ VdW CD2 LEU 389 - HD3 PRO 412 2.60 7 0.17 0.66 ++ *+ ++ + VdW CG GLN 391 - C GLN 391 2.90 7 0.12 0.24 ++++ * + + VdW O GLN 391 - C PHE 392 2.80 8 0.16 0.36 +++ +* + ++ VdW O GLN 391 - O PHE 392 2.60 9 0.19 0.58 + + ++ +++* + VdW CB PHE 392 - H LEU 393 2.55 13 0.23 0.40 +++* +++ +++++ + VdW CG PHE 392 - C PHE 392 2.90 10 0.14 0.25 ++ +++ ++++ * VdW CG PHE 392 - N LEU 393 3.05 14 0.58 0.98 ++++ +++ ++++++ * VdW CG PHE 392 - H LEU 393 2.55 14 0.75 1.37 ++++ +++ +++*++ + VdW CD1 PHE 392 - C PHE 392 3.10 8 0.18 0.70 ++ ++ ++* + VdW CD1 PHE 392 - N LEU 393 3.05 10 0.45 1.29 + +++ +++*+ + VdW CD1 PHE 392 - H LEU 393 2.55 11 0.45 1.34 +++ ++ *++++ + VdW CD1 PHE 392 - CA LEU 393 3.20 6 0.14 0.60 + * + ++ + VdW CE1 PHE 392 - CB ALA 416 3.20 7 0.21 0.80 +++ *++ + VdW CZ PHE 392 - CD1 LEU 393 3.20 7 0.15 0.69 ++ + +*+ + VdW CZ PHE 392 - CA ALA 416 3.20 10 0.25 0.63 *+++ +++ + + + VdW CZ PHE 392 - CB ALA 416 3.20 16 0.49 1.03 ++++ ++*++ +++ ++++ VdW CZ PHE 392 - HB1 ALA 416 2.60 6 0.18 0.67 + ++ + + * VdW CZ PHE 392 - HB2 ALA 416 2.60 7 0.16 0.81 +*++ + + + VdW CZ PHE 392 - HB3 ALA 416 2.60 10 0.29 0.94 +++ + + ++* ++ VdW HZ PHE 392 - CA ALA 416 2.60 8 0.24 0.88 ++ + +*+ + + VdW HZ PHE 392 - HA ALA 416 2.00 9 0.25 0.68 *+++ ++++ + VdW HZ PHE 392 - CB ALA 416 2.60 7 0.16 0.62 + + +++ + * VdW CE2 PHE 392 - CB ALA 416 3.20 10 0.31 0.86 +++ + ++* + + + VdW CD2 PHE 392 - N LEU 393 3.05 10 0.27 1.00 ++ + +++ *+ + + VdW CD2 PHE 392 - H LEU 393 2.55 11 0.41 1.37 ++ + +++ *++ + + VdW C PHE 392 - N GLY 394 2.95 14 0.37 0.70 +++* + +++ ++++ ++ VdW C PHE 392 - H GLY 394 2.45 12 0.44 1.05 *+++ +++ ++++ + VdW O PHE 392 - C LEU 393 2.80 14 0.30 0.46 ++++ +++++ ++++ * VdW O PHE 392 - N GLY 394 2.75 15 0.76 1.32 +++* + +++ ++++ +++ VdW O PHE 392 - H GLY 394 1.80 12 0.42 1.12 *+++ +++ ++++ + VdW O PHE 392 - CA GLY 394 2.90 10 0.19 0.49 + +* +++ ++++ VdW HA LEU 396 - CD PRO 397 2.60 9 0.17 0.31 + + + +++ *++ VdW O LEU 396 - NE2 GLN 401 2.75 7 0.17 0.88 +++ + * + + VdW CG PRO 397 - CD1 ILE 400 3.20 8 0.20 0.74 ++ + + + + + * VdW HG2 PRO 397 - CG1 ILE 400 2.60 11 0.27 0.69 ++++ ++ +++ +* VdW HG2 PRO 397 - HG12 ILE 400 2.00 9 0.19 0.79 *+++ + ++ ++ VdW HG2 PRO 397 - CD1 ILE 400 2.60 10 0.32 1.04 ++ + + + + +++ * VdW HG2 PRO 397 - HD13 ILE 400 2.00 6 0.13 0.64 + + + * + + VdW HD2 PRO 397 - CD1 ILE 400 2.60 9 0.20 0.68 + +* + + + +++ VdW O PRO 397 - CB GLN 401 2.90 7 0.17 0.53 *++ + + + + VdW O PRO 398 - N ILE 400 2.75 6 0.11 0.43 *+ + + + + VdW CD1 ILE 400 - CG2 VAL 419 3.20 7 0.14 0.47 + +*+ + + + VdW HA GLN 401 - CG1 VAL 404 2.60 7 0.16 0.66 + + + ++ * + VdW O GLN 401 - N VAL 404 2.75 7 0.14 0.37 ++ + + * ++ VdW O GLN 401 - CG1 VAL 404 2.90 6 0.19 0.61 + ++ ++* VdW HB2 ARG 403 - CD1 LEU 422 2.60 7 0.15 0.40 + * ++ ++ + VdW O ARG 403 - NE2 GLN 407 2.75 11 0.28 0.66 +++ ++ ++ + ++* VdW N VAL 404 - CG1 VAL 404 2.85 6 0.12 0.24 + * + + + + VdW H VAL 404 - CG1 VAL 404 2.55 10 0.19 0.44 + +*+ + + + +++ VdW CG2 VAL 404 - C VAL 404 2.90 11 0.17 0.33 + +*+ +++ + +++ VdW CG2 VAL 404 - CD1 LEU 418 3.20 7 0.11 0.38 * + +++ + + VdW C GLN 405 - H GLN 407 2.45 7 0.16 0.43 +++ ++ *+ VdW CB GLN 407 - CD1 LEU 418 3.20 7 0.12 0.32 + + * ++++ VdW O GLN 407 - C ARG 408 2.80 7 0.15 0.47 + +*+ ++ + VdW CB PRO 409 - H GLY 410 2.55 7 0.13 0.35 + *+ ++ ++ VdW CB PRO 409 - CA ALA 415 3.20 7 0.13 0.37 * +++ + ++ VdW CB PRO 409 - HA ALA 415 2.60 9 0.20 0.65 ++ ++* ++ ++ VdW CG PRO 409 - HA ALA 415 2.60 8 0.15 0.60 ++ + + +++ * VdW CG PRO 409 - CB ALA 415 3.20 6 0.12 0.41 + ++ + * + VdW HG2 PRO 409 - H GLY 410 1.95 6 0.10 0.28 + + *+ + + VdW HG3 PRO 409 - HA ALA 415 2.00 6 0.15 0.61 + + + ++* VdW CB SER 411 - HD2 PRO 412 2.60 7 0.15 0.35 + ++* + + + VdW HG2 PRO 412 - H GLU 413 1.95 6 0.12 0.26 * ++ + + + VdW HG3 GLU 414 - C GLU 414 2.50 10 0.20 0.50 ++++ +*+ ++ + VdW O GLU 414 - CD2 LEU 418 2.90 19 0.36 0.51 ++++++ +++*+++++++++ VdW O ALA 415 - HG LEU 418 2.30 12 0.23 0.71 +++ + ++ ++ *+ ++ VdW O ALA 415 - CG1 VAL 419 2.90 6 0.12 0.63 ++* + + + VdW H LEU 418 - CG LEU 418 2.55 18 0.28 0.35 +++*++ +++ +++++++++ VdW H LEU 418 - HG LEU 418 1.95 16 0.26 0.47 +++++ ++++++++ + +* VdW O LEU 418 - HG LEU 422 2.30 7 0.18 0.53 + + * + + ++ VdW N VAL 419 - CG1 VAL 419 2.85 9 0.16 0.24 +* ++ + ++ ++ VdW H VAL 419 - CG1 VAL 419 2.55 15 0.29 0.45 +* +++ ++ +++++ +++ VdW CG2 VAL 419 - C VAL 419 2.90 15 0.23 0.33 +* +++ ++ +++++ +++ VdW HG21 VAL 419 - C VAL 419 2.50 7 0.15 0.51 +++* + + + VdW O LEU 422 - C ARG 423 2.80 11 0.23 0.48 +*+ + ++ ++++ + VdW O LEU 422 - N ARG 424 2.75 8 0.20 0.63 + + + + + *+ + Angle PSI GLU 41 -54.00 -28.00 8 3.74 9.55 + + *++ ++ + Angle PSI ALA 42 -53.00 -27.00 6 3.09 10.81 ++ + * + + Angle PHI ALA 43 -78.00 -58.00 6 5.04 21.74 + + + + * + Angle PSI LEU 45 -52.00 -32.00 8 6.65 37.63 ++ +*+ ++ + Angle PHI ARG 46 -76.00 -56.00 6 6.89 38.62 + ++ * + + Angle PSI ARG 46 -48.00 -28.00 11 6.37 15.78 +++* ++ + ++ ++ Angle PHI PHE 47 -74.00 -54.00 8 7.70 31.25 + * + ++ ++ + Angle PSI PHE 47 -49.00 -29.00 15 10.46 23.56 ++++*++ +++++++ + Angle PHI ARG 48 -91.00 -61.00 9 5.12 14.60 +++* + ++ + + Angle PSI ARG 48 -34.00 -4.00 9 5.83 24.91 + +++ *+ ++ + Angle PSI CYS 49 -51.00 -5.00 17 13.19 29.13 +++++++++ +++ +*+++ Angle PSI PHE 50 120.00 140.00 17 11.68 26.86 ++++*++++++ ++ ++++ Angle PHI HIS 51 -128.00 -90.00 14 8.84 38.86 ++++*+ ++ ++ ++++ Angle PSI HIS 51 99.00 143.00 14 7.71 14.92 ++ ++++* ++ +++ ++ Angle PHI TYR 52 -106.00 -68.00 10 8.22 23.90 ++ +++ *++ + + Angle PHI GLU 54 -70.00 -50.00 8 4.52 12.79 + +*+ +++ + Angle PSI GLU 54 -38.00 -16.00 6 3.14 22.76 + + + + + * Angle PHI ALA 55 -80.00 -58.00 7 4.72 19.55 + + ++ +* + Angle PSI ALA 55 -50.00 -30.00 7 5.07 38.05 + + ++ * + + Angle PHI THR 56 -112.00 -82.00 6 4.26 26.95 + + + + +* Angle PSI THR 56 -15.00 15.00 12 17.66 44.95 ++ + + ++*+++ + + Angle PSI PRO 58 -41.00 -31.00 20 25.28 54.63 +++++*++++++++++++++ Angle PHI GLN 59 -77.00 -57.00 20 29.53 48.74 ++++++++++++++++*+++ Angle PSI GLN 59 -46.00 -26.00 13 21.34 52.14 ++++++ * + + ++ ++ Angle PHI GLU 60 -75.00 -55.00 15 14.92 33.06 ++++ +++ + + ++++* + Angle PHI LEU 62 -71.00 -51.00 10 10.13 39.50 ++ +++++ + * + Angle PSI LEU 62 -53.00 -33.00 15 23.23 51.36 ++++ +++ ++++*+++ Angle PHI ALA 63 -76.00 -56.00 16 21.60 52.04 ++++ ++++ ++++*+++ Angle PSI ALA 63 -48.00 -28.00 12 18.51 55.89 ++++ + * ++++ + + Angle PHI GLN 64 -78.00 -58.00 18 22.88 60.87 +++++++++*+++++ +++ Angle PSI GLN 64 -51.00 -31.00 13 12.51 61.26 + +++++ *+ +++++ Angle PHI LEU 65 -71.00 -51.00 16 15.99 52.09 ++++ + +++ ++++++*+ Angle PSI LEU 65 -52.00 -32.00 17 14.50 52.38 ++++ +++++++++ +*++ Angle PHI ARG 66 -76.00 -56.00 16 19.20 49.39 ++++ + ++*++++ ++++ Angle PSI ARG 66 -50.00 -30.00 9 8.83 48.15 ++++ + + * + + Angle PHI GLU 67 -79.00 -59.00 14 12.22 53.20 ++ + + +++ ++ *++++ Angle PSI GLU 67 -50.00 -30.00 7 5.60 45.07 +++ * ++ + Angle PHI LEU 68 -74.00 -54.00 6 5.59 24.53 + + ++ + * Angle PSI LEU 68 -52.00 -32.00 13 11.35 29.27 + +++ ++ *+++++ + Angle PHI CYS 69 -76.00 -56.00 9 5.27 12.49 ++ +++ ++ *+ Angle PSI CYS 69 -50.00 -30.00 19 25.29 46.63 +++++++++++++++*+++ Angle PHI ARG 70 -73.00 -53.00 16 18.35 43.89 ++++ * ++ ++++ +++++ Angle PSI GLN 71 -47.00 -17.00 20 35.08 60.76 +++++*++++++++++++++ Angle PSI GLU 76 -40.00 -6.00 11 6.48 23.30 +*+ ++ ++ +++ + Angle PHI VAL 77 -118.00 -86.00 6 5.07 40.91 + + + + * + Angle PSI SER 79 155.00 175.00 16 20.98 67.80 +++++ +++++++ * +++ Angle PHI LYS 80 -69.00 -49.00 13 19.76 40.46 ++ + + +++ +++* + + Angle PSI LYS 80 -48.00 -28.00 15 14.45 34.96 + +++ +++ +*++++ ++ Angle PHI GLU 81 -73.00 -53.00 7 7.18 45.22 ++ + ++ *+ Angle PSI GLU 81 -50.00 -30.00 19 26.32 46.50 +++++++++++++++++ +* Angle PHI GLN 82 -76.00 -56.00 20 32.56 50.04 +++++++++++++*++++++ Angle PHI MET 83 -75.00 -55.00 11 9.80 42.82 +* ++ +++++ + + Angle PSI MET 83 -52.00 -32.00 15 11.53 44.52 + + ++ ++ +++++*+++ Angle PHI LEU 84 -73.00 -53.00 18 14.12 37.75 ++++++++++ +++ +*+++ Angle PSI LEU 84 -52.00 -32.00 14 12.60 31.81 ++++ *++ ++++ +++ Angle PHI GLU 85 -75.00 -55.00 17 16.41 43.55 ++++ ++*++++ ++ ++++ Angle PSI GLU 85 -54.00 -34.00 17 17.69 36.05 ++ ++ + ++++++++*+++ Angle PHI LEU 86 -74.00 -54.00 20 22.38 41.49 +*++++++++++++++++++ Angle PSI LEU 86 -51.00 -31.00 18 14.76 45.41 + +++++*++ +++++++++ Angle PHI LEU 87 -77.00 -57.00 11 8.80 35.21 + +* +++ ++ +++ Angle PSI LEU 87 -51.00 -31.00 17 21.66 44.70 ++ ++++ +++++++++* + Angle PHI VAL 88 -78.00 -58.00 17 20.40 80.75 ++++ *+ ++++++ +++++ Angle PSI VAL 88 -55.00 -35.00 17 12.12 21.89 +++ + +++*+++++++ ++ Angle PHI LEU 89 -70.00 -50.00 15 9.61 21.57 +++ +++++ ++++ +*+ Angle PSI LEU 89 -57.00 -37.00 9 8.78 54.37 + + ++ + + + + * Angle PHI GLU 90 -73.00 -53.00 10 10.32 40.89 + ++++ +* + + + Angle PSI GLU 90 -52.00 -32.00 7 9.04 49.33 + + +* + ++ Angle PHI GLN 91 -74.00 -54.00 19 21.85 36.02 +++++++++++++++++*+ Angle PSI GLN 91 -46.00 -26.00 7 8.87 65.41 + +*+ + ++ Angle PHI PHE 92 -74.00 -54.00 19 24.13 61.80 ++++++++++ ++++*++++ Angle PSI PHE 92 -55.00 -35.00 12 15.91 67.60 ++++++* ++ + ++ Angle PHI LEU 93 -72.00 -52.00 13 12.89 59.59 ++ ++*+ +++ + + + + Angle PHI GLY 94 -80.00 -56.00 7 7.69 60.82 ++++ * + + Angle PSI GLY 94 -46.00 -8.00 6 3.52 18.22 ++* ++ + Angle PSI PRO 97 132.20 154.90 17 15.37 22.02 +++* + ++++++++++++ Angle PSI PRO 98 -46.00 -28.00 19 18.22 27.01 ++++++++*+ +++++++++ Angle PHI GLU 99 -76.00 -56.00 17 15.64 28.16 +++* + ++++++++++++ Angle PHI ILE 100 -73.00 -53.00 20 23.88 39.93 ++++++*+++++++++++++ Angle PSI ILE 100 -52.00 -32.00 11 6.57 15.78 +++ ++* + +++ + Angle PHI GLN 101 -71.00 -51.00 10 8.14 23.07 ++ ++++* + + + Angle PSI GLN 101 -51.00 -31.00 18 10.68 18.96 ++++ +++++++++++++ * Angle PHI ALA 102 -72.00 -52.00 12 6.02 14.64 +++ +*+ +++ + + + Angle PSI ALA 102 -51.00 -31.00 9 5.48 15.21 + + + ++ + + +* Angle PHI ARG 103 -73.00 -53.00 15 7.64 14.17 +++ ++ ++ ++ +++++* Angle PHI VAL 104 -77.00 -57.00 10 4.98 12.03 ++++ ++ + ++ * Angle PHI GLN 105 -72.00 -52.00 13 8.05 16.72 +++ + *++ ++++ + + Angle PHI GLY 106 -79.00 -59.00 14 6.87 15.41 ++++ +++ *+++++ + Angle PSI PRO 112 -44.00 -28.00 15 13.79 48.18 ++++ +*++ ++++ + ++ Angle PHI GLU 113 -75.00 -55.00 7 7.50 65.70 ++* + + ++ Angle PSI GLU 113 -51.00 -31.00 19 26.74 64.48 +++++++++++++++ +*++ Angle PHI GLU 114 -74.00 -54.00 20 32.30 71.88 ++++++++++++++++*+++ Angle PSI GLU 114 -54.00 -34.00 11 5.69 14.97 ++++ + ++ ++ * + Angle PHI ALA 115 -76.00 -56.00 11 6.80 26.42 *+++ + + ++ + + + Angle PSI ALA 115 -49.00 -29.00 6 9.60 44.67 + + + +*+ Angle PHI ALA 116 -73.00 -53.00 8 5.30 16.14 + + *++ + + + Angle PSI ALA 116 -50.00 -30.00 14 13.85 29.41 +*+++ ++ + + +++++ Angle PHI ALA 117 -74.00 -54.00 13 17.68 49.58 +++ *++ +++++ + + Angle PSI ALA 117 -50.00 -30.00 11 15.52 61.31 + + + ++++ *+++ Angle PHI LEU 118 -79.00 -59.00 14 17.23 50.18 + ++ +++++++ *+++ Angle PSI LEU 118 -48.00 -28.00 9 9.42 38.56 + ++ + + ++ *+ Angle PHI VAL 119 -74.00 -54.00 9 10.12 37.90 + ++ + ++ ++ * Angle PSI VAL 119 -53.00 -33.00 6 3.02 11.31 + *+ + + + Angle PHI ASP 120 -69.00 -49.00 14 10.31 23.24 ++++++++*+ + ++ + Angle PHI LEU 122 -91.00 -55.00 7 3.50 14.99 ++ +++ + * Angle PSI LEU 122 -55.00 3.00 8 7.83 35.11 + + + ++++ * Angle PHI ALA 343 -78.00 -58.00 6 3.90 26.49 + *+ + ++ Angle PSI ALA 343 -49.00 -29.00 6 4.45 13.11 + + * + ++ Angle PSI ARG 344 -54.00 -34.00 9 7.26 40.85 + +*++ + + ++ Angle PHI LEU 345 -72.00 -52.00 7 4.47 31.58 + *+ + + + + Angle PSI LEU 345 -52.00 -32.00 7 4.23 24.94 + + + *+ ++ Angle PHI ARG 346 -76.00 -56.00 8 4.32 16.13 ++ ++ +* + + Angle PHI PHE 347 -74.00 -54.00 17 11.41 32.10 ++ +++++++ *+++++++ Angle PSI PHE 347 -49.00 -29.00 18 22.89 51.79 +++*+ ++ +++++++++++ Angle PSI ARG 348 -34.00 -4.00 7 4.14 15.01 + + * ++ + + Angle PSI CYS 349 -51.00 -5.00 16 18.21 40.91 +*+ +++++ ++++++++ Angle PSI PHE 350 120.00 140.00 12 10.07 26.76 ++ +++ ++ +*+++ Angle PHI HIS 351 -128.00 -90.00 16 16.61 54.41 ++++ +++++ +++++*+ Angle PSI HIS 351 99.00 143.00 10 6.85 23.85 + ++++ + ++ +* Angle PSI TYR 352 120.00 140.00 13 9.26 30.17 ++ * ++ ++ ++++++ Angle PHI GLU 354 -70.00 -50.00 10 10.57 74.68 + + + + ++ ++ +* Angle PHI ALA 355 -80.00 -58.00 6 6.44 34.54 +*+ + + + Angle PHI THR 356 -112.00 -82.00 11 5.91 16.98 ++ + + ++ + ++*+ Angle PSI THR 356 -15.00 15.00 8 9.58 61.55 ++ + + ++ + * Angle PSI PRO 358 -41.00 -31.00 16 17.35 42.61 ++ ++++ +*+++++ +++ Angle PHI GLN 359 -77.00 -57.00 17 19.00 54.73 +++ ++++++*++++++ + Angle PSI GLN 359 -46.00 -26.00 6 7.99 55.56 ++* + + + Angle PHI GLU 360 -75.00 -55.00 17 8.95 32.93 +++++ *+ ++++++ ++++ Angle PHI LEU 362 -71.00 -51.00 8 8.53 46.40 + ++ + *+ + + Angle PHI ALA 363 -76.00 -56.00 11 13.14 49.96 ++ ++++ * + ++ + Angle PHI GLN 364 -78.00 -58.00 14 13.34 39.97 ++ +++*++ ++++ ++ Angle PSI GLN 364 -51.00 -31.00 11 9.59 49.93 ++++ + ++ ++ + * Angle PSI LEU 365 -52.00 -32.00 13 9.42 30.78 ++ +*+ + + ++ ++++ Angle PHI ARG 366 -76.00 -56.00 10 8.87 47.26 + +++* ++ + ++ Angle PHI GLU 367 -79.00 -59.00 6 5.67 42.48 +* + + + + Angle PSI GLU 367 -50.00 -30.00 9 4.73 12.67 + +++ + * +++ Angle PSI LEU 368 -52.00 -32.00 7 3.63 15.11 + ++ + + + * Angle PSI CYS 369 -50.00 -30.00 9 9.34 41.45 + ++++ + + + * Angle PHI ARG 370 -73.00 -53.00 15 14.24 34.69 ++ +++ + +++++++ *+ Angle PSI ARG 370 -51.00 -31.00 9 8.15 26.15 + + ++ + *+ + + Angle PSI GLN 371 -47.00 -17.00 17 41.08 70.12 + ++++++* +++++++ ++ Angle PHI VAL 377 -118.00 -86.00 7 3.15 9.60 + + + + +*+ Angle PSI VAL 377 -29.00 -5.00 11 9.66 25.05 + +* ++ ++++ + + Angle PHI SER 379 -113.00 -71.00 6 3.02 12.96 + + * + + + Angle PSI SER 379 155.00 175.00 18 22.29 47.34 *+++++++++++++ ++++ Angle PHI LYS 380 -69.00 -49.00 18 27.96 51.78 +++ + +++++*++++++++ Angle PSI LYS 380 -48.00 -28.00 18 16.75 29.97 + +++++*+++++++++ ++ Angle PHI GLU 381 -73.00 -53.00 10 14.58 68.52 + + *+++++++ Angle PSI GLU 381 -50.00 -30.00 19 27.03 62.50 +++++++++++++++++ *+ Angle PHI GLN 382 -76.00 -56.00 15 17.91 41.78 +* ++++ +++++ ++++ Angle PHI MET 383 -75.00 -55.00 14 9.13 29.66 +++ + ++ ++*+ + +++ Angle PSI MET 383 -52.00 -32.00 16 16.24 42.74 +++* ++++++ ++++ ++ Angle PHI LEU 384 -73.00 -53.00 17 22.30 45.89 ++++ +++++ + +*+++++ Angle PSI LEU 384 -52.00 -32.00 6 4.63 21.45 + + * + + + Angle PHI GLU 385 -75.00 -55.00 18 12.12 30.03 ++++++++++++ ++ +++* Angle PSI GLU 385 -54.00 -34.00 16 14.88 31.83 ++++ + + +++++*++++ Angle PHI LEU 386 -74.00 -54.00 10 10.40 41.57 ++*++ +++ + + Angle PSI LEU 386 -51.00 -31.00 12 12.49 40.15 + *++ + ++ + + +++ Angle PHI LEU 387 -77.00 -57.00 12 9.16 23.51 ++ ++++ +++ +* + Angle PSI LEU 387 -51.00 -31.00 14 14.80 33.91 ++++ + + +* + ++++ + Angle PHI VAL 388 -78.00 -58.00 18 21.94 91.06 +++++*++ ++++ ++++++ Angle PSI VAL 388 -55.00 -35.00 14 11.33 26.84 *+++ ++ + + +++++ + Angle PHI LEU 389 -70.00 -50.00 8 5.06 17.90 ++ ++++* + Angle PSI LEU 389 -57.00 -37.00 14 18.51 56.25 +++ + ++ ++++*+ ++ Angle PHI GLU 390 -73.00 -53.00 18 32.40 56.80 ++++ +++++++*++++++ Angle PSI GLU 390 -52.00 -32.00 16 20.79 44.17 ++++++ *+++++++ + + Angle PHI GLN 391 -74.00 -54.00 19 23.04 42.46 ++++++++*++++++++ ++ Angle PSI GLN 391 -46.00 -26.00 10 15.28 62.30 + ++ ++ +*+++ Angle PHI PHE 392 -74.00 -54.00 16 17.90 41.78 * ++++++++++++ +++ Angle PSI PHE 392 -55.00 -35.00 16 43.38 100.13 ++++ ++++++++++* + Angle PHI LEU 393 -72.00 -52.00 17 39.07 102.38 ++++ +++++ +++++*++ Angle PSI LEU 393 -49.00 -29.00 13 31.01 82.13 ++*+ +++ ++++ ++ Angle PHI GLY 394 -80.00 -56.00 17 26.85 62.75 ++*+++ + + +++++++++ Angle PSI PRO 397 132.20 154.90 7 5.73 26.81 +++ + + * + Angle PSI PRO 398 -46.00 -28.00 13 14.31 56.07 ++++ ++*+++ +++ Angle PHI GLU 399 -76.00 -56.00 15 14.68 45.14 ++ ++++ ++*+++++ + Angle PSI GLU 399 -47.00 -27.00 8 5.36 32.58 +++++ +* + Angle PHI ILE 400 -73.00 -53.00 20 31.50 65.88 +++++++++++*++++++++ Angle PSI ILE 400 -52.00 -32.00 6 4.27 25.00 + + +*+ + Angle PHI GLN 401 -71.00 -51.00 10 8.53 40.34 +++ + +++ + * + Angle PSI GLN 401 -51.00 -31.00 15 14.83 36.52 +++ ++++ ++*+++ ++ Angle PHI ALA 402 -72.00 -52.00 15 13.01 49.13 ++++ +++ ++++*+++ Angle PHI ARG 403 -73.00 -53.00 11 6.72 28.83 + ++ +++ + *+ ++ Angle PSI ARG 403 -53.00 -33.00 8 6.46 23.56 * ++ ++++ + Angle PHI VAL 404 -77.00 -57.00 10 6.32 19.44 +* +++ ++ + + + Angle PSI VAL 404 -54.00 -34.00 7 4.50 23.23 + + + ++ *+ Angle PHI GLN 405 -72.00 -52.00 16 10.10 44.99 + +++++++++++*++ + Angle PSI GLY 406 -40.00 -6.00 11 12.45 44.09 ++ +++ ++++*+ Angle PHI GLY 410 58.00 92.00 11 16.01 43.56 ++ ++++ ++++* Angle PSI GLY 410 -10.00 46.00 10 5.92 17.47 +++ +++ + *+ + Angle PSI PRO 412 -44.00 -28.00 16 10.72 22.58 +*+ ++++++++++++ + Angle PSI GLU 413 -51.00 -31.00 15 11.78 29.11 ++++ + +++ +++*++ + Angle PHI GLU 414 -74.00 -54.00 18 16.62 45.05 ++++ * +++++++++++++ Angle PHI ALA 416 -73.00 -53.00 7 3.54 11.69 + +++ + + * Angle PSI ALA 416 -50.00 -30.00 7 5.58 33.62 + + + +++ * Angle PHI ALA 417 -74.00 -54.00 6 7.08 48.31 * + ++ + + Angle PSI ALA 417 -50.00 -30.00 6 4.45 19.81 +* + ++ + Angle PHI LEU 418 -79.00 -59.00 9 5.28 19.65 + + ++ *+ + + + Angle PSI LEU 418 -48.00 -28.00 12 5.42 12.63 +* + ++ ++++++ + Angle PHI ASP 420 -69.00 -49.00 10 8.35 39.92 ++ * + + ++ ++ + Angle PHI LEU 422 -91.00 -55.00 9 4.73 21.95 + + *+ + + ++ + Angle PSI LEU 422 -55.00 3.00 7 4.55 17.74 + ++ + + *+ 766 violated distance constraints. 201 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 1.51 +/- 0.78 A (0.85..3.14 A) Average heavy atom RMSD to mean : 1.96 +/- 0.88 A (1.27..3.84 A)