NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6651 8.2233 120.5348 53.8650 42.5056 176.1409 3 D 4.2510 8.6264 121.5875 56.7891 40.5990 177.6396 4 R 3.8965 8.1600 119.1428 59.3199 30.5747 177.9303 5 L 3.9428 7.8948 119.7224 57.9022 41.9704 178.3287 6 F 4.1349 7.7726 119.5631 61.5782 39.4471 176.9273 7 R 3.9661 8.1364 116.2693 59.3042 29.9434 178.5005 8 N 4.4260 8.1845 115.1167 56.1230 38.7633 178.0794 9 A 4.0674 7.8641 118.8512 52.8200 18.3637 179.1454 *11 G 3.7173 8.0746 109.8274 46.5469 0.0000 175.3626 12 K 4.0533 7.9411 118.1960 57.5079 32.3383 176.7828 13 F 4.6164 8.0209 121.2903 56.3971 38.8422 174.7738 14 A 4.6515 8.1503 130.5256 52.5173 19.0844 176.0435 15 T 4.5547 8.9086 110.1703 60.0177 73.2320 173.9802 16 G 4.0775 8.4895 108.7058 45.1323 0.0000 172.5471 17 V 4.8024 8.3464 118.1833 61.3615 35.1108 175.1155 18 T 5.1003 8.8868 116.6055 59.8463 72.8130 172.4787 19 V 4.4834 8.4093 121.6820 61.0900 34.2401 174.2265 20 I 4.7756 8.1904 128.7097 60.6006 38.6665 174.8306 21 T 5.1368 8.8859 116.9779 60.5073 72.3789 172.6241 22 T 4.8688 8.6660 116.6116 61.2763 71.8164 171.4503 23 E 5.0333 8.5567 123.7648 54.1834 32.4902 174.8799 24 L 4.4071 8.5907 127.8544 53.8046 43.8599 175.6049 25 N 4.0387 9.7788 125.4445 53.9694 35.7431 173.2130 26 G 4.2558 8.2386 109.9966 45.4625 0.0000 172.6300 27 A 4.0295 7.5335 123.2554 51.3851 19.0706 176.1007 28 V 4.2078 7.9955 123.3450 62.4091 32.5327 174.8578 29 H 4.9896 9.3871 124.9810 54.2015 32.2043 173.2992 30 G 4.6206 8.4857 108.2520 44.5945 0.0000 171.2996 *32 T 4.4103 8.4093 114.8123 63.4083 69.7700 173.5047 33 A 4.7254 8.8684 128.1824 50.7300 22.2963 176.0382 34 N 4.9589 8.7199 116.8247 52.6746 39.3533 175.6139 35 A 4.3976 7.7512 124.1798 51.2125 16.7823 174.9926 36 F 5.4953 7.5504 122.6467 54.3399 43.5665 173.4214 *38 S 4.0584 8.3059 115.2273 58.1478 62.9931 172.1473 39 V 4.1765 8.5772 125.7647 63.9104 33.1184 175.6079 40 S 4.6493 7.4628 112.5241 56.5269 65.5854 174.0168 41 L 3.9290 8.6744 128.3930 57.1658 42.2039 176.5122 42 N 4.8208 7.8033 117.4048 50.4802 39.9400 172.3625 43 P 4.4653 0.0000 0.0000 61.6909 32.6230 176.5789 44 K 4.5243 8.3854 117.6457 56.3961 32.1868 176.2386 45 L 5.4875 8.9868 125.6309 52.8567 45.8058 176.1501 46 V 4.8835 8.8570 120.0112 60.4501 35.6478 173.5492 47 L 5.4825 8.2197 121.8075 53.5985 45.7510 174.9358 48 V 4.8951 8.8999 124.1692 59.9672 35.1350 174.0887 49 S 5.2548 8.7967 117.3557 56.7400 64.2903 173.1137 50 I 4.6396 8.8356 128.1965 59.0441 40.2328 175.6050 51 G 3.7093 8.6210 113.8441 45.9243 0.0000 174.4578 52 E 4.1465 8.8281 120.9564 58.4109 29.7072 178.0248 53 K 4.2656 7.8549 116.3433 56.0800 32.7245 176.1048 54 A 4.2845 7.6378 123.7081 51.3048 18.6607 179.5418 55 K 3.9632 8.5514 126.6467 56.0159 32.0447 178.9326 *57 L 4.3015 8.0457 121.2011 55.1186 44.0369 178.2613 58 E 4.3003 7.9121 117.8534 58.7348 29.5130 178.7855 59 K 3.8100 7.6554 118.5117 59.5861 32.0649 179.2476 60 I 3.7807 7.3397 120.5774 63.3985 36.5681 178.1083 61 Q 4.1601 8.1128 119.0780 59.1688 28.3326 179.2304 62 Q 4.0102 8.0468 118.0623 59.0723 27.7239 178.5632 63 S 4.2306 8.2516 114.9380 58.9123 63.1476 174.7267 64 K 4.2010 8.5119 121.4071 56.3852 30.1078 174.3303 65 K 5.0368 7.3071 114.6628 56.5245 35.8020 174.0758 66 Y 4.9927 8.1164 117.3227 56.3586 41.6713 172.8323 67 A 5.1551 9.0716 122.2770 50.1936 22.7089 175.3404 68 V 4.3220 8.9536 121.6355 61.4308 33.5669 174.5157 69 N 5.2003 8.9584 127.1793 51.5210 40.0554 174.2337 70 I 4.2023 8.3036 126.3459 61.0128 38.5337 175.6277 71 L 4.9359 9.0429 128.3127 54.0436 43.1775 177.0410 72 S 4.7441 9.1899 118.5253 57.5647 64.2593 174.8733 73 Q 3.9626 9.0185 122.2553 59.2774 28.6841 177.3283 74 D 4.7677 7.9180 115.3540 54.3993 41.0572 176.4516 75 Q 4.6121 7.8703 118.5930 55.2783 29.6865 177.5531 76 K 3.4669 8.2955 121.7911 59.5036 32.2759 178.0932 77 V 3.6742 7.6267 117.1306 65.7340 31.9386 176.8834 78 L 4.1046 7.9402 119.4689 57.9584 41.9476 179.5242 79 S 4.3871 7.9266 109.4426 59.3105 62.0122 175.0706 *81 N 4.5271 8.2584 117.7485 53.3496 39.9582 175.7597 82 F 4.6034 8.2187 112.7787 58.1329 38.7505 175.8795 83 A 4.5279 7.8538 122.3815 51.2194 19.1180 178.0430 84 G 4.3516 7.8580 103.4566 47.1353 0.0000 175.0293 85 Q 4.3018 7.5846 116.3257 55.8244 29.1064 175.6771 86 L 4.7413 7.4416 118.4744 52.4773 43.9291 176.1662 87 E 3.9840 9.0289 123.3750 58.3725 29.6333 177.0974 88 K 4.4545 7.6362 119.1529 53.4378 33.7579 173.7410 89 P 4.4449 0.0000 0.0000 62.6808 31.9110 176.7117 90 V 3.8096 8.4023 115.9705 60.5491 32.3581 176.1929 91 D 4.4530 8.3539 122.2873 53.7197 40.3785 175.6612 92 V 3.8525 7.9633 126.5787 61.5806 32.8432 175.3934 93 Q 4.2496 8.1959 125.7319 55.4039 29.4233 174.5527 94 F 5.4443 8.6989 123.3059 56.0017 41.3133 175.5447 95 E 5.0567 9.1721 120.9111 54.9146 32.9536 173.8241 96 E 5.0796 8.7091 118.3315 54.9270 32.9796 175.7338 97 L 4.3863 9.1422 127.2618 54.9305 45.1345 175.6164 98 G 4.0932 9.3823 114.2358 45.4466 0.0000 174.0922 99 G 3.9304 8.6269 105.9455 44.6341 0.0000 173.7936 100 L 4.9040 7.5776 119.9148 51.7344 44.8039 174.1529 101 P 4.8649 0.0000 0.0000 63.0950 31.9927 175.8954 102 V 4.7413 9.0351 116.3558 59.5249 36.7525 174.4201 103 I 4.5351 8.9578 123.9421 59.8013 38.3267 175.8317 104 K 4.0875 8.3234 128.8711 58.2290 32.3944 176.3105 105 D 4.4592 8.9078 123.0062 54.4126 38.5083 173.9855 106 A 4.2874 7.4542 121.6795 52.3821 19.2012 177.7035 107 L 4.1828 8.7835 122.8793 57.3763 43.1238 176.9345 108 A 5.1720 7.7235 117.7340 50.7199 23.0407 174.8410 109 Q 4.9900 9.3345 118.7979 54.1594 32.8760 174.7706 110 I 4.9133 8.6414 123.8576 59.8295 40.8215 174.4767 111 S 4.9459 8.9902 124.2129 57.4338 64.9482 173.4962 112 C 5.1754 8.7143 120.1123 58.1494 32.8736 172.7799 113 Q 4.7994 8.6870 121.0428 53.8200 30.9508 175.3200 114 V 4.2833 8.5134 124.7544 63.4789 31.5774 175.9943 115 V 4.4574 8.7741 120.3658 61.4780 33.6452 175.2255 116 N 4.9312 7.8520 117.4703 52.5255 42.3519 172.6917 117 E 4.9588 8.7045 123.1691 54.5119 33.2806 175.3235 118 V 4.2455 8.3446 123.5552 60.8447 34.6028 174.3236 119 Q 4.4337 8.7259 129.6376 56.1996 30.1252 175.9827 120 A 4.4126 9.3494 129.4490 51.3583 21.2113 177.6770 121 G 3.7793 8.3019 114.4282 47.0065 0.0000 174.6872 122 D 4.4994 8.9275 125.2762 56.9265 40.9047 175.2652 123 H 5.4340 8.3401 114.6014 54.2019 33.7923 172.3929 124 T 4.8945 8.8068 116.1398 61.7683 71.7696 173.4496 125 L 4.6739 8.8810 126.9667 54.0812 43.3893 175.7673 126 F 5.1553 9.2778 124.1163 55.8870 40.8020 174.9452 127 I 4.6998 8.6443 126.4419 60.6257 38.4647 175.5343 128 G 4.3513 9.5497 114.3586 44.2675 0.0000 171.2657 129 E 4.8703 9.1342 126.0533 55.0750 31.3657 175.1809 130 V 4.3783 8.4957 127.9696 62.9224 31.5195 175.5276 131 T 4.4434 8.8212 118.7885 63.1167 70.2514 174.8639 132 D 4.8644 7.7114 119.9155 52.9341 45.5908 174.5160 133 I 5.0087 8.2539 121.5231 59.5325 41.3648 174.5672 134 K 4.6877 9.2879 126.7623 54.7370 35.4819 174.9111 135 I 5.0763 8.4763 126.5985 59.7318 40.4984 174.3096 136 T 4.7037 8.6358 114.3853 59.6423 72.8475 173.4787 137 E 4.4007 8.4455 118.2903 56.3882 30.0708 176.9091 138 Q 4.3099 7.8582 116.8308 55.5383 30.0186 175.6308 139 D 4.8026 8.3375 119.4901 53.6047 42.3443 173.9645 140 P 5.0590 0.0000 0.0000 61.6162 33.1314 175.3315 141 L 4.2511 8.4981 124.7656 55.3734 43.2025 175.7387 142 L 5.3365 8.8759 125.2456 53.0471 45.8128 175.1395 143 F 5.3618 9.3361 123.0346 56.7045 43.0394 173.3714 144 F 4.7944 8.8548 127.2134 57.7636 43.2724 174.1613 145 S 3.1400 8.9813 122.5441 59.4591 60.6777 173.5937 146 G 3.6729 7.6819 105.5368 45.2968 0.0000 173.9154 147 K 4.4389 6.8651 118.1632 54.0861 35.7515 175.0334 148 Y 5.0679 8.2080 118.3649 58.7468 38.9975 174.4625 149 H 5.0674 9.4327 118.7229 54.8965 34.1983 171.9318 150 Q 4.9982 8.4676 117.0530 53.8406 32.6234 175.8050 151 L 4.0761 8.4958 120.3624 54.3517 42.3662 177.2897 152 A 4.0962 8.3938 125.3566 52.4462 19.0245 177.7526 153 Q 4.2250 8.5720 120.3941 56.0278 29.0241 175.7046 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 2.78 2.78 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 0.00 0.00 0.00 0.00 3 D 8.63 4.25 0.00 2.83 2.78 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 0.00 0.00 0.00 0.00 4 R 8.16 3.90 0.00 1.89 1.94 0.00 3.18 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 7.89 3.94 0.00 1.82 1.85 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.77 4.13 0.00 2.99 3.27 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 7 R 8.14 3.97 0.00 1.92 1.99 0.00 3.28 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.98 0.00 8 N 8.18 4.43 0.00 2.85 2.82 0.00 0.00 7.03 8.10 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 9 A 7.86 4.07 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 *11 G 8.07 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.05 0.00 1.97 1.98 0.00 1.74 0.00 0.00 1.32 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.50 7.81 13 F 8.02 4.62 0.00 2.95 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.65 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.91 4.55 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 1.36 0.00 0.00 16 G 8.49 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 17 V 8.35 4.80 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 1.04 0.00 0.00 1.19 0.00 0.00 18 T 8.89 5.10 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 1.01 0.00 0.00 19 V 8.41 4.48 1.82 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 0.17 0.00 0.00 0.92 0.00 0.00 20 I 8.19 4.78 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.78 0.00 0.00 21 T 8.89 5.14 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 22 T 8.67 4.87 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 8.56 5.03 0.00 1.87 1.70 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 2.12 2.18 0.00 24 L 8.59 4.41 0.00 1.56 1.55 0.91 1.02 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 9.78 4.04 0.00 2.88 2.81 0.00 0.00 7.29 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 8.24 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.53 4.03 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 28 V 8.00 4.21 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 29 H 9.39 4.99 0.00 3.00 3.14 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 8.49 4.62 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 0.00 0.00 0.00 *32 T 8.41 4.41 4.30 0.00 0.00 0.00 0.00 0.00 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 33 A 8.87 4.73 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 34 N 8.72 4.96 0.00 3.02 2.93 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 7.75 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 7.55 5.50 0.00 2.97 3.02 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 0.00 0.00 0.00 0.00 *38 S 8.31 4.06 0.00 3.87 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 8.58 4.18 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 0.88 0.00 0.00 40 S 7.46 4.65 0.00 3.83 3.65 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 41 L 8.67 3.93 0.00 1.63 1.67 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.80 4.82 0.00 2.70 2.72 0.00 0.00 6.92 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 4.47 0.00 2.28 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 8.39 4.52 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.69 7.81 45 L 8.99 5.49 0.00 1.55 1.54 0.93 0.69 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 46 V 8.86 4.88 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.13 0.00 0.00 47 L 8.22 5.48 0.00 1.73 1.44 0.91 0.73 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 48 V 8.90 4.90 2.12 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 0.32 0.00 0.00 0.96 0.00 0.00 49 S 8.80 5.25 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.84 4.64 2.16 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.99 0.00 0.00 51 G 8.62 3.71 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 0.00 0.00 0.00 52 E 8.83 4.15 0.00 2.09 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 2.35 2.28 0.00 53 K 7.85 4.27 0.00 1.74 1.88 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.48 7.81 54 A 7.64 4.28 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.55 3.96 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.45 7.81 *57 L 8.05 4.30 0.00 1.81 1.81 1.08 1.00 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 7.91 4.30 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 2.46 2.19 0.00 59 K 7.66 3.81 0.00 1.72 1.81 0.00 1.34 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.63 1.47 7.81 60 I 7.34 3.78 0.97 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 0.26 0.00 0.00 61 Q 8.11 4.16 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.77 2.78 0.00 62 Q 8.05 4.01 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 63 S 8.25 4.23 0.00 4.04 4.10 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 0.00 0.00 0.00 0.00 64 K 8.51 4.20 0.00 1.94 1.94 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.53 7.81 65 K 7.31 5.04 0.00 1.88 1.69 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.36 7.81 66 Y 8.12 4.99 0.00 3.07 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 67 A 9.07 5.16 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 68 V 8.95 4.32 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 1.14 0.00 0.00 69 N 8.96 5.20 0.00 2.63 2.68 0.00 0.00 6.59 6.82 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 70 I 8.30 4.20 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.91 0.00 0.00 71 L 9.04 4.94 0.00 1.64 1.57 0.94 0.74 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 72 S 9.19 4.74 0.00 3.89 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 9.02 3.96 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.12 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 74 D 7.92 4.77 0.00 2.71 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 7.87 4.61 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.30 3.47 0.00 1.46 1.66 0.00 1.53 0.00 0.00 1.39 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.04 0.29 7.81 77 V 7.63 3.67 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 4.10 0.00 1.95 1.91 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.93 4.39 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 N 8.26 4.53 0.00 2.73 2.61 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 8.22 4.60 0.00 3.13 3.11 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 0.00 83 A 7.85 4.53 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 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 0.00 0.00 0.00 0.00 85 Q 7.58 4.30 0.00 1.91 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 86 L 7.44 4.74 0.00 1.54 1.52 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.03 3.98 0.00 1.94 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 0.00 2.32 2.25 0.00 88 K 7.64 4.45 0.00 1.65 1.66 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.38 7.81 89 P 0.00 4.44 0.00 2.03 1.88 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 90 V 8.40 3.81 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 0.53 0.00 0.00 0.81 0.00 0.00 91 D 8.35 4.45 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 92 V 7.96 3.85 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 0.18 0.00 0.00 0.92 0.00 0.00 93 Q 8.20 4.25 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 94 F 8.70 5.44 0.00 2.95 2.91 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 95 E 9.17 5.06 0.00 1.99 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 0.00 2.20 2.24 0.00 96 E 8.71 5.08 0.00 1.90 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 0.00 2.17 2.25 0.00 97 L 9.14 4.39 0.00 1.69 1.44 0.92 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 98 G 9.38 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 8.63 3.93 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 0.00 0.00 0.00 100 L 7.58 4.90 0.00 1.75 1.51 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.86 0.00 1.69 1.82 0.00 3.64 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 1.83 1.80 0.00 102 V 9.04 4.74 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 0.73 0.00 0.00 1.03 0.00 0.00 103 I 8.96 4.54 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.04 0.83 0.00 0.00 104 K 8.32 4.09 0.00 1.80 1.68 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.59 7.81 105 D 8.91 4.46 0.00 2.85 2.78 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 0.00 0.00 0.00 0.00 106 A 7.45 4.29 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.18 0.00 1.80 1.81 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.72 5.17 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 9.33 4.99 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 110 I 8.64 4.91 1.86 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 1.26 0.65 0.97 0.00 0.00 111 S 8.99 4.95 0.00 3.72 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 0.00 112 C 8.71 5.18 0.00 1.89 2.25 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 0.00 113 Q 8.69 4.80 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 114 V 8.51 4.28 2.27 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 1.09 0.00 0.00 1.16 0.00 0.00 115 V 8.77 4.46 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 0.72 0.00 0.00 1.03 0.00 0.00 116 N 7.85 4.93 0.00 2.79 2.62 0.00 0.00 6.97 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 8.70 4.96 0.00 1.79 1.62 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 1.84 2.38 0.00 118 V 8.34 4.25 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 0.81 0.00 0.00 0.89 0.00 0.00 119 Q 8.73 4.43 0.00 2.04 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 9.35 4.41 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 0.00 121 G 8.30 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.93 4.50 0.00 2.84 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 5.43 0.00 3.09 3.17 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 8.81 4.89 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 0.52 0.00 0.00 125 L 8.88 4.67 0.00 1.47 1.57 0.89 0.94 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 9.28 5.16 0.00 2.86 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 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 1.20 0.78 1.01 0.00 0.00 128 G 9.55 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 0.00 0.00 0.00 0.00 129 E 9.13 4.87 0.00 2.02 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 0.00 2.25 2.43 0.00 130 V 8.50 4.38 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 0.85 0.00 0.00 0.97 0.00 0.00 131 T 8.82 4.44 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 1.17 0.00 0.00 132 D 7.71 4.86 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 8.25 5.01 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 0.92 0.00 0.00 134 K 9.29 4.69 0.00 1.79 1.66 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.43 7.81 135 I 8.48 5.08 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 1.41 0.80 0.92 0.00 0.00 136 T 8.64 4.70 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 1.25 0.00 0.00 137 E 8.45 4.40 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 138 Q 7.86 4.31 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 139 D 8.34 4.80 0.00 2.61 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 5.06 0.00 2.10 2.06 0.00 3.78 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 1.97 1.97 0.00 141 L 8.50 4.25 0.00 2.00 1.65 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.88 5.34 0.00 1.80 1.60 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.34 5.36 0.00 3.07 2.91 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 0.00 144 F 8.85 4.79 0.00 2.99 2.67 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 0.00 145 S 8.98 3.14 0.00 2.93 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 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 0.00 147 K 6.87 4.44 0.00 1.63 1.50 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.23 7.81 148 Y 8.21 5.07 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 0.00 149 H 9.43 5.07 0.00 3.10 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.61 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 5.00 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 151 L 8.50 4.08 0.00 1.63 1.59 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.39 4.10 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 8.57 4.22 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.