NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4145 8.3349 115.5489 57.5898 64.1006 173.1474 9 I 4.0979 8.4065 122.6422 59.5829 38.4481 172.6841 10 N 5.2291 9.0813 127.1041 52.1141 40.4897 174.5073 11 A 4.6876 8.6304 124.4568 50.2941 23.1555 174.7944 12 K 4.7274 8.8307 124.3230 55.6999 33.9575 174.9729 13 L 5.0624 9.5456 130.1032 53.3210 44.6318 175.0208 14 V 4.8160 8.5233 126.4071 61.6169 32.2743 174.2165 15 L 5.0986 8.9554 127.2096 53.1171 44.0655 175.5334 16 L 4.5142 9.6615 122.6621 51.8312 46.2181 175.8673 17 G 4.7493 8.0855 115.6958 44.8876 0.0000 171.9295 18 D 5.4034 8.0220 120.9681 51.6015 40.5729 176.1195 19 V 3.6958 8.1566 113.5660 63.2047 31.8162 177.0807 20 G 3.9778 9.0221 112.0838 45.2262 0.0000 174.1472 21 A 4.0744 7.4730 122.3655 54.8145 18.7951 178.0031 22 G 3.9481 8.6164 104.6470 45.7735 0.0000 175.6745 23 K 3.8475 8.6289 122.4778 59.5350 32.0526 178.7923 24 S 4.2000 8.0203 114.5870 61.8897 62.8566 176.5947 25 S 4.1401 8.1912 117.3052 61.5256 62.4631 176.6246 26 L 4.0264 7.9867 123.0878 58.1726 41.9006 179.3838 27 V 3.7344 7.6907 119.2913 64.7893 31.1110 178.3505 28 L 3.8778 8.0097 119.0748 57.4979 41.5337 179.0775 29 R 4.0019 8.0330 117.9745 59.2340 30.0838 178.0820 30 F 4.2512 8.1048 119.6855 60.8315 39.5142 176.4455 31 V 2.8133 7.8144 111.1301 61.9366 30.9201 176.6546 *45 A 4.0112 7.7565 123.2128 52.5876 20.4334 177.0178 46 A 4.5623 8.0368 119.5153 52.7045 20.6938 176.9303 47 F 5.7009 7.3190 116.8406 56.6572 42.5430 173.5886 48 F 4.8697 8.0257 123.0227 55.8839 43.7034 173.3504 49 S 5.2100 8.7264 117.7506 57.0349 64.4612 173.4161 50 Q 4.4786 9.6697 126.3518 54.7109 32.0475 173.6511 51 T 5.0579 8.6159 123.2481 62.3760 70.0336 174.0781 52 L 4.9338 9.2905 125.4293 52.7249 46.3667 175.0715 53 A 5.1518 8.5305 121.2342 50.2837 21.6008 176.0032 54 V 4.2849 8.5298 121.6356 62.4409 35.0117 174.9923 55 N 4.1656 9.8485 124.4432 54.6678 35.7099 174.0232 56 D 4.4331 8.1490 111.6362 54.4178 40.8710 172.4661 57 A 4.8473 7.9260 119.9493 50.9293 22.1983 175.1304 58 T 5.0150 8.1709 115.6374 61.6796 71.7256 173.5641 59 V 4.5518 8.6524 125.9207 60.9152 34.4112 174.0095 60 K 4.6556 8.7019 130.4300 54.9820 33.6493 174.9875 61 F 5.3079 9.8020 128.6431 56.8351 40.6606 174.4632 62 E 4.8263 9.5820 125.8629 55.0167 31.3562 174.4980 63 I 5.0151 8.7819 128.5518 59.5156 40.0662 174.5760 64 W 5.0094 9.4986 128.4547 55.0334 30.7308 175.4416 65 D 5.0791 9.2408 126.0802 54.1676 41.6795 175.4357 66 T 4.4524 7.7238 110.9923 59.4084 72.1619 173.3809 67 A 4.1211 8.2596 126.3815 52.1874 18.9766 177.9277 68 G 4.4547 8.5958 110.4300 45.0373 0.0000 173.6829 69 Q 4.2189 8.0189 120.1009 55.5116 29.6687 176.8270 70 E 3.9826 8.9424 122.7405 59.2703 29.8188 179.1965 71 R 3.8762 7.7296 113.7199 58.4487 29.8268 176.5720 72 Y 4.7917 7.5841 115.4328 57.9667 38.6510 176.6792 73 H 4.2862 8.3817 122.6365 59.4098 29.8996 177.1991 74 S 4.4801 8.1308 110.8759 59.9074 63.3710 174.6276 75 L 4.3498 8.2428 121.3360 56.5912 42.1751 178.6763 76 A 4.1336 8.1593 121.0802 54.7893 18.0636 177.6769 77 P 2.9700 0.0000 0.0000 65.5030 31.0277 178.5957 78 M 3.9873 7.6901 116.4559 58.2106 31.8435 177.7864 79 Y 4.4335 7.8733 115.7478 60.2688 38.7210 176.3904 80 Y 4.5234 7.7626 116.6718 55.9650 38.5088 175.2213 81 R 3.8629 7.0206 122.6431 57.8926 30.4244 177.0152 82 G 3.8604 8.9751 112.3089 45.3664 0.0000 173.5335 83 A 3.8991 7.3270 122.4796 52.7216 18.8671 177.4048 84 A 4.6084 8.8538 122.3316 52.8309 20.6421 176.7262 85 A 5.1476 7.6407 115.4096 50.8084 23.0779 175.0512 86 A 4.9810 9.0192 120.8636 50.3683 23.1556 175.2715 87 I 4.4595 8.4548 123.0616 59.7252 39.3677 174.8493 88 I 4.5694 8.4998 129.2154 59.8198 38.6671 174.8748 89 V 4.8799 8.9969 128.5008 61.2090 33.2469 174.7039 90 F 5.2129 9.1662 121.6286 55.3530 42.5022 172.5906 91 D 5.2094 9.0048 118.6974 52.4580 42.3589 177.4622 92 V 3.9385 8.5702 120.5478 63.7657 31.7285 177.5484 93 T 4.6885 8.4619 108.9130 60.5549 68.5254 174.9189 94 N 4.7737 8.4135 121.1158 51.6192 41.3690 174.2848 95 Q 4.0655 8.7617 129.8373 59.1274 29.2989 177.6727 96 A 4.0608 8.0298 121.7628 54.9250 18.4512 179.5608 97 S 4.5740 8.3778 114.4510 61.1185 63.0509 176.6050 98 F 3.9025 7.9547 123.6267 60.8623 39.1512 177.0333 99 E 3.5387 8.1173 118.3000 59.3203 29.2450 179.5148 100 R 3.7171 8.0368 117.8279 59.1071 30.1285 178.9636 101 A 4.2558 7.9214 120.5533 55.0865 18.3522 179.8242 102 K 3.4574 7.3549 116.9017 59.3812 32.0193 179.6222 103 K 3.8169 7.6046 118.3641 59.1641 31.8093 179.2675 104 W 4.4285 7.9258 119.1018 59.8401 29.0347 178.4986 105 V 3.6442 7.9583 117.9599 66.3643 30.9091 177.9699 106 Q 4.0304 8.2513 117.5962 58.9555 28.4695 178.6901 107 E 3.9448 8.3464 120.1760 59.3752 29.7060 178.8259 108 L 3.7339 8.1739 119.3266 57.8930 41.3803 179.6234 109 Q 4.0038 8.0092 116.9732 58.6706 28.7102 178.1620 110 A 4.2712 8.1533 121.4843 54.4657 18.4504 178.2745 111 Q 4.5860 8.4647 113.5018 55.3663 30.5356 174.7195 112 G 4.2697 8.2445 107.0309 42.7899 0.0000 172.9410 113 N 4.4865 8.4646 116.8798 51.8700 37.7637 174.3901 114 P 4.2311 0.0000 0.0000 65.7046 31.5620 177.4071 115 N 4.4677 8.0644 113.8691 55.4062 38.7808 174.9992 116 M 4.2238 7.9076 118.9657 56.1830 32.9830 175.8703 117 V 4.1024 8.9151 126.5814 62.5075 32.9264 174.2727 118 M 5.0138 8.7060 127.6245 53.5297 34.5502 174.6862 119 A 3.7905 8.6615 125.4071 49.5965 22.0967 174.7760 120 L 4.8183 8.8302 125.5020 53.7830 43.5283 175.1436 121 A 4.6362 9.0272 130.3409 50.8210 20.5415 176.1611 122 G 3.3643 8.8194 112.0270 44.8417 0.0000 172.5919 123 N 5.0564 8.5775 126.7377 51.0189 41.7187 174.2259 124 K 3.8520 8.4768 117.3631 57.3336 29.4779 178.3694 125 S 4.2003 7.8557 114.7282 61.0083 63.1976 175.2715 126 D 4.3311 8.0420 119.5863 55.3132 39.1799 176.1138 127 L 4.3065 7.5305 120.1660 53.9113 40.9979 176.5084 128 L 4.2645 8.3484 124.2912 57.3686 42.2683 179.4249 129 D 4.3435 8.0972 116.8726 56.7141 40.5961 177.3492 130 A 4.4036 7.7900 120.2823 52.2598 19.8627 176.7816 131 R 4.3821 7.5267 116.5985 56.5946 30.3378 176.2380 132 K 4.4644 9.3412 123.6578 55.6487 34.4267 176.1064 133 V 4.1561 7.6541 118.5151 60.7219 33.0670 175.7257 134 T 4.1341 8.0986 118.0252 61.3733 70.9758 175.3280 135 A 4.0412 8.5232 124.4687 55.0432 18.4007 179.8454 136 E 3.8280 8.0776 117.5880 59.6013 29.7589 178.4709 137 D 4.3337 7.8054 118.1602 57.3301 40.8445 178.8282 138 A 3.7279 7.2641 120.4806 54.9770 18.1391 179.3204 139 Q 4.0266 8.0584 118.2694 59.7279 29.1153 178.5748 140 T 3.8524 8.4699 117.0526 66.8866 68.4548 175.5571 141 Y 4.0065 8.3704 121.3975 60.9846 38.7541 178.3604 142 A 4.1403 8.3860 121.4329 55.1814 18.4543 179.3921 143 Q 3.9499 8.4191 118.3415 59.4088 29.0265 178.0016 144 E 4.1114 8.1773 117.1394 57.7336 29.5528 177.1479 145 N 4.6887 7.1035 113.6694 52.5291 39.4462 175.0228 146 G 3.8701 7.9474 105.3754 45.5994 0.0000 172.9910 147 L 5.0903 7.8390 119.3602 53.4798 43.7761 175.1776 148 F 5.1991 8.2738 111.8582 55.0676 40.7409 174.0591 149 F 5.5073 9.0293 122.9040 57.0388 41.3882 174.6489 150 M 4.4227 8.3764 124.6991 53.3644 35.8731 174.4167 151 E 4.3832 8.2589 123.9696 56.3503 30.0725 176.2938 152 T 4.8865 8.7541 113.5441 59.9666 73.2475 172.7906 153 S 4.7625 9.0807 116.7383 56.7228 64.9173 174.6986 154 A 4.0458 8.5480 130.5141 55.0528 18.6293 178.4580 155 K 4.0437 8.2903 116.1898 59.5393 32.2046 177.5486 156 T 4.2068 7.5515 104.9903 60.8647 69.0429 175.1892 157 A 3.7918 8.1233 124.8064 52.4409 17.4229 177.6795 158 T 4.0641 7.5876 114.0996 65.0543 68.9059 174.5821 159 N 4.4827 9.0227 121.4329 53.8991 36.4259 176.3895 160 V 3.6687 7.6145 118.4534 66.1676 31.6705 178.1866 161 K 4.4539 8.2168 117.7282 59.7568 31.7436 179.0463 162 E 4.0747 8.2824 118.3418 59.4613 29.4559 179.0636 163 I 3.8738 7.8568 118.5600 64.2029 38.0379 178.0100 164 F 3.8084 7.7994 118.4147 60.6015 38.5348 177.3196 165 Y 4.0943 8.4191 116.5258 61.0954 37.4583 178.2164 166 E 3.9601 8.8690 119.6828 58.9752 30.0477 178.7473 167 I 4.0055 8.0068 119.9199 64.5132 37.0522 178.3182 168 A 4.1610 8.1526 120.0563 54.9928 18.1962 179.3254 169 R 4.0101 8.2766 117.2586 59.5346 30.3261 178.3397 170 R 4.2936 7.5710 114.4426 55.8581 30.5880 176.8401 171 L 4.1387 7.4584 120.2050 53.7518 42.1970 175.1621 172 P 4.4247 0.0000 0.0000 63.0784 31.1901 176.0964 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 8 S 8.33 4.41 0.00 3.88 4.07 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 9 I 8.41 4.10 1.77 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 1.20 0.59 0.87 0.00 0.00 10 N 9.08 5.23 0.00 2.61 2.77 0.00 0.00 6.88 7.35 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 11 A 8.63 4.69 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 12 K 8.83 4.73 0.00 1.80 1.60 0.00 0.88 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 0.90 7.81 13 L 9.55 5.06 0.00 1.58 1.41 0.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.52 4.82 2.06 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 1.03 0.00 0.00 0.95 0.00 0.00 15 L 8.96 5.10 0.00 1.58 1.51 1.03 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 L 9.66 4.51 0.00 0.97 0.13 0.46 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.09 4.75 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 0.00 0.00 0.00 18 D 8.02 5.40 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.16 3.70 2.14 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 0.79 0.00 0.00 0.99 0.00 0.00 20 G 9.02 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 0.00 0.00 0.00 21 A 7.47 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.62 3.95 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 0.00 0.00 0.00 23 K 8.63 3.85 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.68 1.56 7.81 24 S 8.02 4.20 0.00 3.95 3.95 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 25 S 8.19 4.14 0.00 3.89 3.95 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 26 L 7.99 4.03 0.00 1.98 1.94 0.97 0.86 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 27 V 7.69 3.73 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 1.18 0.00 0.00 0.99 0.00 0.00 28 L 8.01 3.88 0.00 1.80 1.78 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.03 4.00 0.00 1.84 2.08 0.00 3.32 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 30 F 8.10 4.25 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.81 2.81 1.48 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 0.02 0.00 0.00 0.15 0.00 0.00 *45 A 7.76 4.01 0.81 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 0.00 0.00 0.00 0.00 0.00 46 A 8.04 4.56 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 47 F 7.32 5.70 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.03 4.87 0.00 2.88 2.72 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 49 S 8.73 5.21 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.67 4.48 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 51 T 8.62 5.06 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 1.18 0.00 0.00 52 L 9.29 4.93 0.00 1.29 1.14 0.85 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.53 5.15 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 54 V 8.53 4.28 2.11 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 1.13 0.00 0.00 1.05 0.00 0.00 55 N 9.85 4.17 0.00 2.86 2.81 0.00 0.00 7.07 8.06 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 56 D 8.15 4.43 0.00 2.79 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 57 A 7.93 4.85 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 58 T 8.17 5.01 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 1.23 0.00 0.00 59 V 8.65 4.55 1.72 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 0.02 0.00 0.00 0.77 0.00 0.00 60 K 8.70 4.66 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.40 7.81 61 F 9.80 5.31 0.00 3.13 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 62 E 9.58 4.83 0.00 2.21 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 0.00 2.52 2.45 0.00 63 I 8.78 5.02 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 1.08 0.00 0.00 64 W 9.50 5.01 0.00 3.30 3.38 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 65 D 9.24 5.08 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.72 4.45 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 1.12 0.00 0.00 67 A 8.26 4.12 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 G 8.60 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.02 4.22 0.00 2.35 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 70 E 8.94 3.98 0.00 2.01 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 0.00 2.31 2.30 0.00 71 R 7.73 3.88 0.00 1.70 1.80 0.00 2.53 0.00 0.00 2.93 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.50 0.00 72 Y 7.58 4.79 0.00 3.28 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 73 H 8.38 4.29 0.00 3.31 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.13 4.48 0.00 4.08 4.04 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 75 L 8.24 4.35 0.00 2.02 1.98 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.16 4.13 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 0.00 0.00 0.00 0.00 0.00 77 P 0.00 2.97 0.00 2.04 1.94 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 78 M 7.69 3.99 0.00 1.88 2.24 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 79 Y 7.87 4.43 0.00 3.12 3.28 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 80 Y 7.76 4.52 0.00 3.09 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 81 R 7.02 3.86 0.00 1.85 1.78 0.00 3.30 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 82 G 8.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 3.90 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 84 A 8.85 4.61 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 5.15 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 9.02 4.98 1.06 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 0.00 0.00 87 I 8.45 4.46 1.61 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.33 0.67 0.00 0.00 88 I 8.50 4.57 1.91 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 1.07 0.60 1.08 0.00 0.00 89 V 9.00 4.88 2.11 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 0.76 0.00 0.00 0.89 0.00 0.00 90 F 9.17 5.21 0.00 3.27 3.21 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 91 D 9.00 5.21 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 3.94 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 0.64 0.00 0.00 1.00 0.00 0.00 93 T 8.46 4.69 4.34 0.00 0.00 0.00 0.00 0.00 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 94 N 8.41 4.77 0.00 2.79 2.79 0.00 0.00 6.83 6.49 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 95 Q 8.76 4.07 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 96 A 8.03 4.06 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 97 S 8.38 4.57 0.00 4.37 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 7.95 3.90 0.00 2.70 3.07 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 99 E 8.12 3.54 0.00 2.06 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 2.54 2.42 0.00 100 R 8.04 3.72 0.00 2.08 2.02 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.99 0.00 101 A 7.92 4.26 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.35 3.46 0.00 1.40 1.32 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.21 7.81 103 K 7.60 3.82 0.00 1.65 1.58 0.00 1.42 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.43 7.81 104 W 7.93 4.43 0.00 3.54 3.10 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 0.00 105 V 7.96 3.64 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.09 0.00 0.00 106 Q 8.25 4.03 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 107 E 8.35 3.94 0.00 2.22 2.22 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 2.53 2.48 0.00 108 L 8.17 3.73 0.00 1.77 1.55 0.78 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.01 4.00 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 110 A 8.15 4.27 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 0.00 111 Q 8.46 4.59 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 112 G 8.24 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 0.00 113 N 8.46 4.49 0.00 2.97 2.99 0.00 0.00 5.91 7.76 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 0.00 114 P 0.00 4.23 0.00 2.06 2.18 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 2.04 2.13 0.00 115 N 8.06 4.47 0.00 2.70 2.89 0.00 0.00 6.82 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 7.91 4.22 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 117 V 8.92 4.10 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 1.14 0.00 0.00 0.99 0.00 0.00 118 M 8.71 5.01 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 119 A 8.66 3.79 0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.83 4.82 0.00 1.87 1.95 1.18 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.03 4.64 1.13 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 0.00 0.00 0.00 122 G 8.82 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.58 5.06 0.00 2.70 2.81 0.00 0.00 7.04 6.16 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 0.00 124 K 8.48 3.85 0.00 1.99 1.85 0.00 2.03 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.38 7.81 125 S 7.86 4.20 0.00 3.97 3.94 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 0.00 126 D 8.04 4.33 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 4.31 0.00 1.81 1.68 0.92 0.84 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 0.00 128 L 8.35 4.26 0.00 1.71 1.69 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.10 4.34 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.79 4.40 1.30 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 0.00 0.00 0.00 131 R 7.53 4.38 0.00 1.96 1.87 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 132 K 9.34 4.46 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.58 7.81 133 V 7.65 4.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 1.03 0.00 0.00 134 T 8.10 4.13 4.21 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 1.18 0.00 0.00 135 A 8.52 4.04 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.08 3.83 0.00 2.05 1.94 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 2.37 2.41 0.00 137 D 7.81 4.33 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.26 3.73 0.01 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 0.00 0.00 139 Q 8.06 4.03 0.00 2.35 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 140 T 8.47 3.85 4.29 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 1.27 0.00 0.00 141 Y 8.37 4.01 0.00 3.22 3.21 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 0.00 142 A 8.39 4.14 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.42 3.95 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 144 E 8.18 4.11 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 145 N 7.10 4.69 0.00 2.43 2.56 0.00 0.00 7.00 7.53 0.00 0.00 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 7.95 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 0.00 0.00 0.00 147 L 7.84 5.09 0.00 1.80 1.66 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.27 5.20 0.00 3.25 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 0.00 149 F 9.03 5.51 0.00 3.10 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 0.00 150 M 8.38 4.42 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.53 0.00 151 E 8.26 4.38 0.00 1.70 1.77 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 2.20 2.10 0.00 152 T 8.75 4.89 4.21 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 1.17 0.00 0.00 153 S 9.08 4.76 0.00 3.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.55 4.05 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 0.00 155 K 8.29 4.04 0.00 1.73 1.99 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 156 T 7.55 4.21 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 1.21 0.00 0.00 157 A 8.12 3.79 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 7.59 4.06 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 1.19 0.00 0.00 159 N 9.02 4.48 0.00 2.98 2.91 0.00 0.00 7.26 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.61 3.67 2.20 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 1.30 0.00 0.00 1.08 0.00 0.00 161 K 8.22 4.45 0.00 1.96 2.05 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.78 1.67 7.81 162 E 8.28 4.07 0.00 2.10 2.04 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 2.39 2.40 0.00 163 I 7.86 3.87 1.92 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.42 0.75 0.00 0.00 164 F 7.80 3.81 0.00 2.58 2.62 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 0.00 165 Y 8.42 4.09 0.00 3.33 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 0.00 166 E 8.87 3.96 0.00 1.95 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 0.00 1.62 1.47 0.00 167 I 8.01 4.01 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.81 1.00 0.00 0.00 168 A 8.15 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 R 8.28 4.01 0.00 2.02 2.13 0.00 3.41 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 170 R 7.57 4.29 0.00 2.03 1.99 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 171 L 7.46 4.14 0.00 1.65 1.64 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 172 P 0.00 4.42 0.00 2.18 2.05 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.