NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6695 8.2233 120.5356 54.0251 42.6056 175.8861 3 D 4.2741 8.4263 118.8835 56.6769 40.4902 177.4022 4 R 3.9444 8.1283 119.3080 59.1478 30.5901 177.7386 5 L 3.9485 7.9133 119.7651 58.0888 41.9247 178.6077 6 F 4.2060 7.8012 119.2818 61.4831 39.4717 176.9814 7 R 3.9125 7.9833 116.3746 59.1905 29.8940 178.5119 8 N 4.4108 8.2711 115.4888 56.1198 38.7644 177.8423 9 A 4.0079 7.8809 118.6810 53.1199 18.4620 179.1626 *11 G 3.6666 8.0659 109.9957 46.5040 0.0000 175.3438 12 K 3.9348 7.9360 117.9832 57.4166 32.3112 176.7374 13 F 4.6590 8.0016 121.3497 56.3267 38.9066 174.7533 14 A 4.6583 8.1770 130.6417 52.3500 19.0686 176.2007 15 T 4.5864 8.8602 110.4695 59.6699 73.1460 173.8899 16 G 4.2739 8.6307 109.6887 45.2166 0.0000 172.4983 17 V 4.7811 8.3419 118.3524 61.1859 34.9105 174.6559 18 T 5.1020 8.7742 116.6440 59.8299 72.7152 172.5441 19 V 4.5442 8.4934 121.9438 61.0766 34.2510 174.2747 20 I 4.6578 8.1759 128.7583 60.6917 38.7581 174.8489 21 T 5.1659 8.8618 116.7331 60.5198 72.4178 172.5721 22 T 4.7884 8.6811 116.5643 61.2912 72.0529 171.4518 23 E 5.0848 8.6379 123.9629 54.1133 32.8421 174.0989 24 L 4.5593 8.5786 128.1458 54.3079 44.6786 175.9398 25 N 4.3248 9.9183 124.0087 54.4229 36.1104 175.0662 26 G 4.0844 8.4152 106.6408 44.9056 0.0000 174.3604 27 A 4.1403 7.7608 122.7888 51.5555 19.2807 176.0644 28 V 4.4288 7.9225 122.0144 61.9739 32.7268 174.7961 29 H 4.9907 9.3206 125.1117 54.2030 32.0930 173.3491 30 G 4.6733 8.4842 108.2388 44.6740 0.0000 171.2570 *32 T 4.4038 8.4103 114.7467 63.4084 69.7957 173.5310 33 A 4.7305 8.7095 127.8257 50.7715 22.3087 176.0613 34 N 5.0171 8.7015 116.4094 52.4934 39.2612 175.5621 35 A 4.3970 7.7569 123.9473 51.1635 16.7948 175.2450 36 F 5.5383 7.6031 122.5184 54.4662 43.5302 173.4754 *38 S 4.0338 8.2944 115.5551 58.1453 62.7574 171.7139 39 V 4.1732 8.3569 125.2091 63.7249 33.4865 175.2650 40 S 4.6937 7.4855 112.9992 56.3700 65.6680 174.1291 41 L 3.9797 8.6733 128.0789 56.8932 42.3471 176.4931 42 N 4.8243 7.8307 117.9890 50.5680 39.9146 172.4718 43 P 4.4929 0.0000 0.0000 61.4938 32.8373 176.3991 44 K 4.4858 8.3988 117.4810 56.6183 32.2540 176.2316 45 L 5.5697 9.1334 125.8086 52.7951 45.6494 176.2440 46 V 4.8757 8.8360 120.0993 60.1992 35.4522 173.8284 47 L 5.5214 8.2325 122.1076 53.5023 45.7828 175.1761 48 V 4.8335 8.8147 123.9662 59.9615 35.1883 174.0998 49 S 5.2224 8.7358 117.1776 56.7390 64.4250 173.1421 50 I 4.6545 8.9609 128.3183 59.0632 40.3384 175.5382 51 G 3.6986 8.6415 114.0223 45.8461 0.0000 174.3528 52 E 4.0333 8.8095 121.6973 58.8175 29.5718 178.1790 53 K 4.2369 7.8788 115.6046 56.1750 32.6503 176.2290 54 A 4.3118 7.8188 123.7399 51.2584 18.8464 179.3604 55 K 3.9112 8.5749 126.0235 56.1205 32.2425 179.0376 *57 L 4.3438 8.0818 120.8421 55.1174 44.0971 178.2191 58 E 4.2649 7.9639 117.8495 58.8530 29.4608 178.8668 59 K 3.8721 7.6497 118.1154 59.4133 32.0220 179.3690 60 I 3.6391 7.4486 119.4228 64.2198 37.1663 178.0845 61 Q 4.1311 8.1473 119.0106 59.1382 28.3027 179.2917 62 Q 4.1233 7.9216 118.0716 58.9289 29.1445 178.4592 63 S 4.2155 8.0506 113.4892 59.0659 63.2290 174.7133 64 K 4.0014 8.3959 120.6694 56.5997 30.0889 174.2906 65 K 5.0839 7.5584 116.6326 56.2192 36.0274 174.4819 66 Y 4.9774 7.9830 115.8209 56.2826 41.4431 173.0602 67 A 5.2012 9.2619 122.8176 50.2482 22.8126 175.3662 68 V 4.4119 8.7430 120.2404 61.1399 34.1112 174.2476 69 N 5.1564 8.8272 126.1036 51.4571 40.6904 174.0407 70 I 4.2981 8.3664 126.3058 61.0119 38.6360 175.7300 71 L 5.0314 8.9976 127.7436 53.8980 43.7108 176.5643 72 S 4.9622 8.9473 117.3273 56.7903 65.0569 174.7391 73 Q 3.9539 8.9291 121.8621 59.3239 28.6252 177.1968 74 D 4.6920 7.8678 114.7426 54.6601 41.2307 176.5442 75 Q 4.5898 7.8950 118.4802 55.3536 29.4852 177.3095 76 K 3.4192 8.2191 121.8001 59.5442 32.1242 178.1057 77 V 3.6774 7.6456 116.8101 65.7674 31.9112 176.9553 78 L 4.1093 7.9386 119.5337 57.8895 41.4741 179.1580 79 S 4.3060 7.9795 109.3912 59.7082 62.5280 174.9865 *81 N 4.4871 8.2294 117.7943 53.5140 39.9492 175.8627 82 F 4.5791 8.3069 112.9250 58.3128 39.1735 175.9878 83 A 4.4861 7.7862 122.8427 51.2788 18.9740 177.2546 84 G 3.9079 7.8493 103.7581 47.3719 0.0000 174.9062 85 Q 4.5010 8.2630 116.3952 55.1210 29.8428 175.5849 86 L 4.7680 7.3863 117.9879 52.6032 43.9659 176.3853 87 E 4.0503 8.9151 122.3309 58.4787 29.6906 177.3664 88 K 4.5225 7.6088 118.5087 53.3913 34.2397 173.7697 89 P 4.4493 0.0000 0.0000 62.7510 31.9139 176.4998 90 V 3.8659 8.2964 115.6340 60.3988 32.5214 176.2132 91 D 4.4613 8.3189 122.0684 53.5657 40.2905 175.5960 92 V 3.8609 7.9434 126.5217 61.5190 32.8479 175.3664 93 Q 4.2524 8.1871 125.9185 55.2916 29.3617 174.7479 94 F 5.3836 8.6206 123.1937 56.2740 41.4263 175.5258 95 E 4.8634 9.3290 118.9518 55.0661 33.0645 173.6864 96 E 5.1105 8.6813 118.3036 54.9310 32.7845 175.7222 97 L 4.2851 9.1340 125.9980 55.1547 45.2134 175.4078 98 G 4.0906 9.2686 114.2922 45.5640 0.0000 173.9804 99 G 3.8916 8.5122 104.8190 45.0760 0.0000 173.8023 100 L 4.9012 7.7058 119.9002 51.6232 44.8350 174.1486 101 P 4.8179 0.0000 0.0000 63.1584 31.9751 175.8648 102 V 4.7578 9.1131 116.6513 59.5447 36.3186 174.2819 103 I 4.5370 8.8476 123.4097 59.6060 38.6964 175.8209 104 K 4.0889 8.3485 128.9743 57.7901 32.5091 176.4414 105 D 4.5399 8.9481 123.6210 54.5710 38.1932 174.1453 106 A 4.3761 7.3559 121.9959 51.9063 19.2345 177.9576 107 L 4.1889 8.8480 122.7775 57.4235 43.2005 176.9268 108 A 5.2087 7.7301 117.7437 50.6818 23.0943 174.9462 109 Q 5.0056 9.5355 118.4392 54.1909 33.0155 174.7780 110 I 5.0095 8.6137 123.5277 59.8875 41.1983 174.3196 111 S 5.0323 9.0703 123.8855 57.2107 65.2783 173.2993 112 C 5.2122 8.6636 120.0986 58.1108 32.8803 172.7423 113 Q 4.7819 8.6263 120.5171 53.7938 30.9484 175.3389 114 V 4.2002 8.6655 125.2819 63.5442 31.4602 175.9443 115 V 4.4350 8.8161 120.7374 61.6568 33.6454 175.2701 116 N 5.0092 7.9121 117.6136 52.3951 42.6206 172.7793 117 E 4.7094 8.5907 123.8881 54.6495 32.6788 174.4360 118 V 4.3070 8.4296 127.2725 60.8071 34.3247 174.3851 119 Q 4.4718 8.7149 129.5282 56.0992 30.1252 175.8054 120 A 4.4123 9.1620 129.3449 51.2125 21.1749 177.1598 121 G 3.7591 8.3336 114.6131 47.0943 0.0000 174.5997 122 D 4.4965 8.8587 124.6518 56.8020 40.9441 175.1635 123 H 5.4387 8.2598 115.1292 54.3066 33.9372 172.2093 124 T 4.8791 9.0194 116.2177 61.8093 71.7993 173.3148 125 L 4.8458 8.7108 126.5735 53.6124 43.6453 175.5958 126 F 5.0688 9.2030 124.1706 55.9101 40.7782 174.9845 127 I 4.7024 8.6279 126.4351 60.5787 38.4805 175.5602 128 G 4.3693 9.4608 114.3783 44.2489 0.0000 171.1776 129 E 4.8359 9.0351 125.8242 55.1190 31.1546 175.4289 130 V 4.2660 8.4380 128.1859 63.2201 31.5301 175.4897 131 T 4.4752 8.8725 118.5205 63.0038 70.1085 174.7523 132 D 4.8882 7.7308 119.6323 52.8058 45.6452 174.5670 133 I 4.9841 8.2406 121.2444 59.5709 41.3832 174.6404 134 K 4.6601 9.3512 126.7899 54.8332 35.4810 174.9597 135 I 5.0564 8.5200 126.8876 59.7685 40.6230 174.2374 136 T 4.7055 8.6487 114.0784 59.7957 72.8351 173.7376 137 E 4.4832 8.4419 118.1906 56.2419 30.0372 176.8305 138 Q 4.2747 7.8961 117.0009 55.7369 29.8323 175.4972 139 D 4.8444 8.3262 119.4277 53.3758 42.4284 174.1520 140 P 5.0353 0.0000 0.0000 61.8859 33.0115 175.3768 141 L 4.2920 8.4783 124.3132 55.2334 43.2132 175.6476 142 L 5.2804 8.8968 125.2173 52.9527 45.8734 175.0862 143 F 5.3830 9.4195 123.6690 56.5594 42.5852 173.5471 144 F 4.8645 8.8899 127.3626 57.7367 43.2842 174.1443 145 S 3.1926 8.8089 121.8764 59.4474 60.7748 173.4961 146 G 3.6079 7.5573 104.5956 45.4004 0.0000 174.0127 147 K 4.4886 6.9448 118.1210 54.0533 35.7442 175.1507 148 Y 5.0520 8.2433 118.9142 58.7769 38.9833 174.4522 149 H 5.0822 9.5133 119.1406 54.8633 34.1984 171.9189 150 Q 4.9360 8.4722 116.6821 53.9112 32.6800 175.8018 151 L 4.0078 8.5527 121.1444 54.3165 42.3268 177.2873 152 A 4.0213 8.5157 126.0056 52.7106 18.8689 177.5374 153 Q 4.2299 8.6060 120.8662 56.0112 29.0387 175.6462 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 D 8.22 4.67 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.43 4.27 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.13 3.94 0.00 1.90 1.93 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 5 L 7.91 3.95 0.00 1.82 1.77 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.80 4.21 0.00 2.98 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.98 3.91 0.00 1.97 1.97 0.00 3.30 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 8 N 8.27 4.41 0.00 2.85 2.81 0.00 0.00 7.01 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.88 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 G 8.07 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.94 3.93 0.00 1.95 1.96 0.00 1.66 0.00 0.00 1.26 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.49 7.81 13 F 8.00 4.66 0.00 2.94 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.18 4.66 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.86 4.59 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 16 G 8.63 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.34 4.78 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.13 0.00 0.00 18 T 8.77 5.10 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 19 V 8.49 4.54 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.86 0.00 0.00 20 I 8.18 4.66 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.88 0.73 0.00 0.00 21 T 8.86 5.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 22 T 8.68 4.79 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 23 E 8.64 5.08 0.00 1.95 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.17 0.00 24 L 8.58 4.56 0.00 1.72 1.48 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.92 4.32 0.00 2.88 2.85 0.00 0.00 7.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.42 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.76 4.14 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.92 4.43 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.50 0.00 0.00 29 H 9.32 4.99 0.00 3.01 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.48 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 T 8.41 4.40 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 33 A 8.71 4.73 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.70 5.02 0.00 3.03 2.91 0.00 0.00 6.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.76 4.40 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.60 5.54 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 S 8.29 4.03 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.36 4.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.89 0.00 0.00 40 S 7.49 4.69 0.00 3.83 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.67 3.98 0.00 1.63 1.66 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.83 4.82 0.00 2.70 2.72 0.00 0.00 6.93 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.49 0.00 2.18 2.07 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 K 8.40 4.49 0.00 1.75 1.85 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.55 7.81 45 L 9.13 5.57 0.00 1.52 1.54 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.84 4.88 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.09 0.00 0.00 47 L 8.23 5.52 0.00 1.71 1.43 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.81 4.83 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.93 0.00 0.00 49 S 8.74 5.22 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.96 4.65 2.15 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.57 0.97 0.00 0.00 51 G 8.64 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.81 4.03 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 53 K 7.88 4.24 0.00 1.76 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 A 7.82 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.57 3.91 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 *57 L 8.08 4.34 0.00 1.83 1.80 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.96 4.26 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.19 0.00 59 K 7.65 3.87 0.00 1.73 1.81 0.00 1.36 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.60 1.47 7.81 60 I 7.45 3.64 1.02 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.43 0.27 0.00 0.00 61 Q 8.15 4.13 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.92 2.90 0.00 62 Q 7.92 4.12 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 63 S 8.05 4.22 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.40 4.00 0.00 1.96 1.93 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.52 7.81 65 K 7.56 5.08 0.00 1.73 1.67 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.35 7.81 66 Y 7.98 4.98 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 9.26 5.20 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.74 4.41 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 1.08 0.00 0.00 69 N 8.83 5.16 0.00 2.63 2.66 0.00 0.00 6.60 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.37 4.30 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.67 0.91 0.00 0.00 71 L 9.00 5.03 0.00 1.65 1.56 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.95 4.96 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.93 3.95 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 74 D 7.87 4.69 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.89 4.59 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.22 3.42 0.00 1.45 1.67 0.00 1.46 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.07 0.31 7.81 77 V 7.65 3.68 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.94 4.11 0.00 1.96 1.89 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.98 4.31 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 N 8.23 4.49 0.00 2.76 2.66 0.00 0.00 7.13 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.31 4.58 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.79 4.49 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.85 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.26 4.50 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.65 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 86 L 7.39 4.77 0.00 1.55 1.52 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.92 4.05 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 88 K 7.61 4.52 0.00 1.65 1.63 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.39 7.81 89 P 0.00 4.45 0.00 2.02 1.87 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 90 V 8.30 3.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.79 0.00 0.00 91 D 8.32 4.46 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.94 3.86 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.85 0.00 0.00 93 Q 8.19 4.25 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 94 F 8.62 5.38 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 9.33 4.86 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 96 E 8.68 5.11 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 97 L 9.13 4.29 0.00 1.71 1.44 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.27 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.51 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.71 4.90 0.00 1.69 1.51 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.82 0.00 1.67 1.81 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 102 V 9.11 4.76 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.03 0.00 0.00 103 I 8.85 4.54 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.81 0.84 0.00 0.00 104 K 8.35 4.09 0.00 1.76 1.72 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.40 7.81 105 D 8.95 4.54 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.36 4.38 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.85 4.19 0.00 1.79 1.91 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.73 5.21 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 9.54 5.01 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 110 I 8.61 5.01 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.97 0.00 0.00 111 S 9.07 5.03 0.00 3.71 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 C 8.66 5.21 0.00 1.91 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.63 4.78 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 114 V 8.67 4.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.11 0.00 0.00 115 V 8.82 4.44 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.00 0.00 0.00 116 N 7.91 5.01 0.00 2.78 2.62 0.00 0.00 6.59 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.59 4.71 0.00 1.93 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.70 0.00 118 V 8.43 4.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.89 0.00 0.00 119 Q 8.71 4.47 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 120 A 9.16 4.41 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.33 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.86 4.50 0.00 2.86 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.26 5.44 0.00 3.21 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 9.02 4.88 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 125 L 8.71 4.85 0.00 1.48 1.56 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.20 5.07 0.00 2.87 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 8.63 4.70 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.96 0.00 0.00 128 G 9.46 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 9.04 4.84 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 130 V 8.44 4.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.98 0.00 0.00 131 T 8.87 4.48 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 132 D 7.73 4.89 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.24 4.98 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.93 0.00 0.00 134 K 9.35 4.66 0.00 1.74 1.58 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.40 7.81 135 I 8.52 5.06 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.92 0.00 0.00 136 T 8.65 4.71 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 137 E 8.44 4.48 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 138 Q 7.90 4.27 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 139 D 8.33 4.84 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 5.04 0.00 2.10 2.06 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 141 L 8.48 4.29 0.00 2.00 1.63 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.90 5.28 0.00 1.77 1.59 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.42 5.38 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.89 4.86 0.00 3.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.81 3.19 0.00 3.34 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.56 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 6.94 4.49 0.00 1.78 1.50 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.24 7.81 148 Y 8.24 5.05 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 9.51 5.08 0.00 3.09 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.47 4.94 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 151 L 8.55 4.01 0.00 1.63 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.52 4.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.61 4.23 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.