NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3173 8.1844 120.7672 53.9474 42.7466 177.8087 5 V 3.6221 8.1413 124.8777 61.8020 29.1219 173.1006 6 D 4.5550 7.6163 123.3681 53.6091 43.6950 176.3913 7 T 4.0185 8.4741 115.2227 65.0611 68.8756 176.7767 8 T 3.7969 7.8844 118.1109 66.6409 68.5294 176.0516 9 E 4.0111 8.1963 119.7441 59.6483 29.5616 178.9270 10 M 4.1558 8.1126 117.7311 58.9960 32.0551 177.9362 11 Y 3.9492 8.8873 117.3260 61.0514 37.9653 178.4708 12 L 4.2319 8.5176 120.5672 57.4421 41.8696 179.1839 13 R 4.2539 8.2786 115.0765 58.2527 29.7544 178.9213 14 T 4.1072 7.7739 117.0307 66.6909 68.4239 176.7151 15 I 3.7361 7.6879 121.3212 64.4938 37.1049 177.8073 16 Y 3.9306 7.9443 120.0608 60.6332 38.6217 178.0484 17 E 4.0561 8.3072 119.1937 59.4406 29.6499 179.0981 18 L 3.9575 7.9455 118.8278 58.0677 41.6780 179.3271 19 E 4.0077 8.2378 118.3210 59.7058 29.2038 179.2359 20 E 3.8384 7.9580 117.7976 58.7707 29.7182 177.7145 21 E 4.4320 7.9623 116.0496 55.5828 29.8102 176.8224 22 G 3.8293 7.9611 107.4462 45.8983 0.0000 173.4395 23 V 4.2214 7.8522 119.4538 61.2294 32.8270 175.9734 24 T 3.9969 8.4309 124.7083 62.6914 68.8879 174.0728 25 P 4.6662 0.0000 0.0000 62.6494 29.1130 175.5978 26 L 4.6608 7.6410 125.2341 54.4522 43.8989 178.3090 27 R 3.8934 8.7612 120.4392 59.7633 29.9864 179.1817 28 A 4.1210 8.0493 119.6820 55.3440 18.3119 179.7487 29 R 3.8648 7.8859 116.0282 59.5027 30.1445 179.2033 30 I 3.7405 7.6890 119.3355 64.0465 37.0600 178.3562 31 A 3.9161 8.4340 122.1311 54.9948 18.2299 179.2110 32 E 3.8083 8.4627 118.1591 59.5077 29.5811 178.8247 33 R 3.8543 8.1397 117.7588 59.4141 30.2505 177.7238 34 L 4.1808 7.9271 115.5039 54.1215 42.0135 176.4299 35 E 3.8229 7.7882 117.3964 57.5365 27.7163 174.3113 36 Q 4.7520 7.8554 115.4128 53.8354 31.8299 176.5871 37 S 4.6089 8.3161 115.0582 57.5946 65.5391 175.4410 38 G 3.6962 8.5833 109.2767 47.6665 0.0000 174.0557 39 P 4.2725 0.0000 0.0000 65.5578 31.4126 178.6776 40 T 3.8737 7.7492 113.9659 66.6510 68.4063 176.6477 41 V 3.9279 8.0254 121.4743 65.5616 31.5001 177.7794 42 S 4.0845 8.4551 113.1680 61.6131 62.0792 175.8457 43 Q 3.9347 8.3862 122.3641 59.6661 28.6584 178.6002 44 T 3.7492 7.9780 116.7180 66.2655 68.3386 177.0900 45 V 3.5367 8.3798 120.3203 66.0765 31.5031 177.9176 46 A 4.2376 8.1855 121.9643 54.3964 18.1707 179.7517 47 R 3.7871 7.5938 117.4236 60.0163 30.2130 178.7275 48 M 4.1119 8.2581 118.5714 58.1322 31.3043 178.7633 49 E 4.2468 8.3193 120.6631 59.0067 29.4559 179.4110 50 R 3.9807 7.5355 116.9441 59.1916 30.2088 178.1229 51 D 4.6192 7.8612 115.9947 54.0038 41.1025 176.5096 52 G 3.9069 8.0892 107.8423 46.8229 0.0000 174.6033 53 L 4.7267 8.2412 121.4494 54.9395 43.7413 176.9980 54 V 4.9760 7.5006 116.7142 60.2798 35.2465 173.7370 55 V 4.4494 8.8912 121.5459 61.1762 34.9736 174.5626 56 V 4.5191 8.6355 127.5808 61.4885 31.7563 175.5177 57 A 4.2880 9.2603 132.2763 51.5496 19.1048 178.1783 58 S 4.0026 8.6875 114.3763 61.5889 62.8506 175.6921 59 D 4.2419 8.1274 121.3166 56.0395 40.9323 177.6499 60 R 4.1585 8.6690 116.3378 56.3746 27.8346 180.9896 61 S 4.8054 7.5792 112.6782 58.0468 65.7309 173.4458 62 L 4.8187 8.4975 122.4024 54.2061 42.0601 176.5462 63 Q 4.4633 9.1036 125.4414 54.5345 30.0299 175.5405 64 M 4.7564 8.6167 125.0810 55.3222 32.8923 176.8410 65 T 4.2093 8.5019 113.9046 60.6376 70.6637 173.8773 66 P 4.2619 0.0000 0.0000 66.0662 31.2991 179.0872 67 T 4.0095 7.9497 108.1402 64.7757 68.7147 176.6464 68 G 3.6439 7.9589 108.4552 47.5531 0.0000 175.6796 69 R 4.0147 8.4451 121.3133 59.3616 30.1293 178.7920 70 T 3.9334 7.8482 115.8098 66.2721 68.3840 176.5553 71 L 3.8934 7.9825 121.9734 58.1112 42.2439 178.4802 72 A 3.9987 8.2281 121.0311 55.8528 18.1460 179.8273 73 T 3.4195 7.9674 113.6196 66.5141 68.4855 176.8536 74 A 3.9414 7.8682 122.5794 55.1256 18.3452 179.8576 75 V 3.4938 7.8812 116.8092 66.3229 31.5223 177.9492 76 M 3.8689 7.8828 117.9409 58.3685 31.9568 178.1000 77 R 3.8250 8.1514 119.1711 59.4105 30.2385 178.5244 78 K 4.0102 8.1279 118.2549 59.7655 32.1036 178.6160 79 H 4.0488 8.3771 118.4391 59.6093 29.7990 177.5477 80 R 4.2064 8.3389 119.9289 59.1630 29.7910 179.0775 81 L 3.9986 8.4840 119.1951 57.6084 41.5412 179.3160 82 A 4.0466 8.2787 120.9662 55.2006 18.2980 179.4850 83 E 3.7678 8.0993 117.0079 59.5353 29.4387 179.8230 84 R 3.7979 7.9760 117.9698 59.0238 30.0969 178.6975 85 L 3.9107 8.1139 120.3440 58.3504 42.1307 179.0219 86 L 3.8210 8.0750 119.3730 57.6999 41.0492 179.6923 87 T 3.8308 7.8949 109.5576 64.9525 68.9476 176.8949 88 D 4.3266 8.1192 121.4201 55.7148 40.8686 176.9407 89 I 4.2946 7.5571 117.4497 63.0492 38.8968 177.3043 90 I 3.7948 7.7280 119.1820 62.5598 37.1011 176.6428 91 G 3.7791 8.0691 106.6937 45.8214 0.0000 173.2955 92 L 3.9796 8.1462 121.4402 53.9551 42.9348 175.9391 93 D 4.2983 8.7596 123.5507 54.9605 41.2249 177.2410 94 I 3.8901 8.6517 125.8373 64.5318 37.6107 177.3315 95 N 4.4853 8.4625 115.5044 55.0448 38.9267 176.1787 96 K 4.3982 8.4260 119.0113 56.4306 33.0161 178.3626 97 V 3.5080 7.4433 119.2470 66.2812 31.1628 177.2338 98 H 4.2371 8.2702 115.7541 59.6715 29.9074 176.5459 99 D 4.4363 7.9926 118.6372 57.1595 40.9606 177.9646 100 E 4.0386 8.0431 119.3947 58.7385 29.9036 179.4927 101 A 3.9924 7.7777 122.6274 51.6880 17.4344 179.5707 *103 R 4.3824 7.9775 122.5162 57.4455 32.4747 178.6714 104 W 4.2811 8.5411 117.5438 59.0911 29.2317 178.2321 105 E 4.0887 8.1483 116.0873 59.0004 29.0464 177.5797 106 H 4.8433 7.7190 114.2692 56.5603 29.1852 175.9667 107 V 4.2801 7.4063 110.4013 60.9188 33.3381 175.4039 108 M 4.1914 7.9299 120.5752 54.8076 32.8732 176.4621 109 S 4.5379 8.3723 121.1094 57.6880 65.8934 174.9023 110 D 4.5421 8.4964 121.9733 57.5997 40.0881 178.7892 111 E 3.9663 8.1635 118.6250 59.5482 29.4595 179.5220 112 V 3.6335 7.6352 118.2585 65.8515 31.5235 177.8589 113 E 3.9781 8.1549 118.4462 59.6168 29.4612 179.5803 114 R 3.9292 8.1428 117.9556 59.3611 30.1083 179.4021 115 R 3.9816 7.7743 117.2866 59.1236 30.0278 179.0891 116 L 4.0269 8.0775 119.0025 57.8053 41.3980 179.6581 117 V 3.7246 7.8160 117.3193 65.7460 31.4197 178.1503 118 K 4.1213 7.6085 117.1404 59.6801 32.1682 179.5848 119 V 3.7925 8.1546 111.1602 62.8486 31.9412 177.1564 120 L 4.2008 7.8965 121.2955 54.7755 42.1745 178.0883 121 K 4.1396 8.5868 124.0548 57.3822 31.9982 176.6220 122 D 4.6179 7.7406 117.5959 53.5330 43.7298 174.8950 123 V 4.4082 8.2423 119.3411 61.3552 32.5868 177.2106 124 S 4.2682 8.0849 117.5511 61.0919 62.6825 174.5914 125 R 5.0765 7.3615 112.5573 54.0310 32.6516 174.2655 126 S 4.3158 9.1588 113.4255 57.0670 62.8405 173.2122 127 P 4.0343 0.0000 0.0000 65.0285 30.9727 176.9736 128 F 4.7933 7.6271 116.7639 57.3499 38.9732 175.5820 129 G 4.1498 8.3505 110.7308 45.6843 0.0000 174.5607 130 N 4.6951 8.0551 116.5797 51.8554 39.5297 172.6632 131 P 4.8921 0.0000 0.0000 62.9121 32.5798 175.8238 132 I 4.2390 8.5871 123.9193 60.2969 36.5297 174.2988 133 P 4.4760 0.0000 0.0000 62.0809 33.9025 176.5283 134 G 4.0303 8.7787 105.5117 46.7000 0.0000 175.8074 135 L 4.0457 7.3703 122.8303 57.4672 41.2676 179.3032 136 D 4.4271 7.9981 118.6658 57.3481 40.7188 178.1689 137 E 3.9967 8.0824 117.8617 58.7116 29.7483 178.0143 138 L 4.1102 7.6817 120.0234 55.6179 43.3754 176.5486 139 G 3.7902 8.3255 105.4131 46.1824 0.0000 173.6413 140 V 4.1994 7.5329 105.5813 61.3051 33.9766 175.3988 *148 P 4.0068 0.0000 0.0000 64.7468 31.0326 180.3545 149 G 4.0954 8.7799 109.1304 44.6309 0.0000 171.7408 150 T 4.2719 8.0248 116.0390 62.3588 69.4421 175.4250 151 R 4.4580 8.4075 125.2472 56.0496 32.1444 177.9287 152 V 3.5780 8.6905 122.4664 66.1265 31.2663 178.2156 153 I 3.6013 7.5056 117.3117 64.5834 37.8803 177.3247 154 D 4.4791 8.0169 116.6561 56.1963 40.9813 177.4828 155 A 4.6149 8.0104 119.3683 51.2535 19.3323 176.9533 156 A 4.0697 7.7702 120.8536 52.1126 18.1907 177.3045 157 T 4.4614 8.2558 121.4001 63.5769 70.0882 177.5820 158 S 4.1314 8.7880 123.2370 61.2692 62.6318 175.0649 159 M 4.6502 7.7390 119.1464 53.0265 32.3565 178.3289 160 P 5.0846 0.0000 0.0000 61.8735 32.5235 175.3228 161 R 4.6197 8.3278 119.6615 55.3964 34.0411 173.2355 162 K 5.1575 8.5403 124.2717 55.0993 34.6955 175.2333 163 V 4.5411 8.7054 118.5096 60.4535 37.2301 172.9223 164 R 5.0019 8.5413 121.3984 54.5052 32.3647 175.2394 165 I 3.9244 8.6638 128.2308 61.9758 37.5614 176.9845 166 V 3.9578 9.1157 127.9823 65.1582 32.4387 175.9561 167 Q 4.5574 7.7108 115.2294 55.7822 30.8788 175.1212 168 I 3.8653 8.4792 121.0236 61.6577 38.7208 175.9097 169 N 4.1181 7.9494 115.5222 54.4323 35.6548 175.7052 170 E 4.0033 7.6965 118.9221 59.2249 30.3216 179.8194 171 I 3.5673 7.5687 117.9802 63.6038 37.9416 176.1326 172 F 5.0034 7.4110 116.1482 57.4364 39.1273 175.6282 173 Q 4.4600 7.9864 120.8613 55.3906 29.6631 175.6527 174 V 3.9919 8.3748 121.3176 64.6811 32.5554 176.0572 175 E 4.1459 8.0248 119.3445 56.2414 29.7454 176.3857 176 T 3.4683 8.0235 112.4959 61.0184 69.1510 175.2899 177 D 4.4837 7.9884 121.3659 56.5516 41.1023 176.6824 178 Q 4.6561 7.7917 116.9894 55.4700 30.0923 177.1292 179 F 4.3895 8.3506 118.6975 61.2617 38.8360 177.6634 180 T 4.0093 8.0491 114.6920 66.2849 68.3140 176.6754 181 Q 4.0185 8.0958 119.7714 59.1569 28.8152 178.6640 182 L 4.0070 7.9555 119.6577 58.1006 41.7471 179.8298 183 L 4.0623 7.6548 118.7866 57.7968 41.3192 179.3350 184 D 4.3590 8.3293 118.2150 57.2067 40.9466 178.1479 185 A 4.1728 8.4350 118.5768 52.4008 18.3272 177.2737 186 D 4.3400 7.5721 115.6331 55.0331 38.9514 174.0022 187 I 4.0606 8.0960 121.3884 60.2120 36.8557 174.9977 188 R 4.6172 8.6755 125.0663 53.8130 33.9953 174.7733 189 V 3.8048 8.1185 118.7032 64.6930 31.5645 176.2449 190 G 4.0054 8.9648 116.7232 44.9659 0.0000 173.5463 191 S 4.2921 8.0434 117.2604 58.3288 64.0821 173.2433 192 E 4.8212 8.6964 124.4113 56.0143 30.0141 176.1890 193 V 4.6942 8.8681 117.6815 59.3795 36.3301 174.6110 194 E 4.8621 9.2188 123.3615 55.9282 31.5961 174.9294 195 I 5.3302 8.9641 124.2000 58.4934 42.1082 174.2391 196 V 5.0390 7.4786 122.6219 62.0046 33.1197 169.9795 197 D 4.9703 8.4693 123.4254 54.8851 43.7025 177.4199 198 R 4.1691 8.7829 130.4324 58.0021 32.0603 177.0816 *201 H 4.5647 9.2534 107.7993 54.8519 30.4309 175.0506 202 I 4.2741 8.0717 121.9733 61.1098 37.9007 174.8481 203 T 5.0388 8.1066 124.7661 61.9117 71.0966 174.0231 204 L 4.8107 9.2065 125.7016 53.2470 44.3429 175.7926 205 S 5.1230 8.3734 120.5267 57.7307 65.0494 173.2274 206 H 4.5273 9.6899 120.6912 56.4348 34.0444 173.4118 207 N 4.0577 9.6963 120.3474 54.4887 37.3456 175.1993 208 G 4.1435 8.3684 105.8819 45.2103 0.0000 174.7490 209 K 4.3706 7.9743 119.3773 55.9647 33.6642 175.7825 210 D 5.1814 8.6449 123.2564 52.5131 43.3488 175.6055 211 V 4.1853 8.7486 124.3546 61.1577 33.6434 174.3698 212 E 4.7934 8.7689 130.5634 54.8017 29.3555 175.6673 213 L 4.3454 8.5793 127.1439 54.8358 42.8475 176.6829 214 L 4.7792 8.2587 119.4429 53.0838 44.7615 177.7040 215 D 4.4689 8.6233 120.1582 57.9349 40.8303 179.4610 216 D 4.3624 8.0960 118.4378 57.6088 40.9550 178.9041 217 L 4.1415 8.0037 118.6251 57.7078 41.6820 179.2570 218 A 4.0865 8.3474 120.8715 55.0326 18.1164 178.5036 219 H 4.6095 8.0749 111.6222 56.7846 29.2629 175.9688 220 T 4.5578 7.2888 115.2652 63.6652 70.9084 174.5429 221 I 4.2342 7.8071 123.3650 60.9665 38.6159 175.2408 222 R 5.1024 8.6908 126.1838 54.4229 32.3750 174.9348 223 I 4.6395 9.0523 119.1905 59.5143 39.8049 174.5445 224 E 4.4536 9.5641 130.8647 55.5665 31.1719 176.8502 225 E 4.1838 8.6844 121.1159 56.2757 29.8447 174.7746 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 4 L 8.18 4.32 0.00 1.68 1.54 0.92 0.52 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 5 V 8.14 3.62 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 0.84 0.00 0.00 0.93 0.00 0.00 6 D 7.62 4.56 0.00 2.73 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 7 T 8.47 4.02 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 8 T 7.88 3.80 4.23 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 1.22 0.00 0.00 9 E 8.20 4.01 0.00 2.29 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 0.00 2.45 2.41 0.00 10 M 8.11 4.16 0.00 2.46 2.20 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 11 Y 8.89 3.95 0.00 3.18 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 12 L 8.52 4.23 0.00 1.88 1.78 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.28 4.25 0.00 1.98 2.16 0.00 2.69 0.00 0.00 3.42 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 14 T 7.77 4.11 4.32 0.00 0.00 0.00 0.00 0.00 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 15 I 7.69 3.74 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.90 0.94 0.00 0.00 16 Y 7.94 3.93 0.00 3.14 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 17 E 8.31 4.06 0.00 2.33 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 0.00 2.40 2.73 0.00 18 L 7.95 3.96 0.00 1.84 1.86 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.24 4.01 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 20 E 7.96 3.84 0.00 2.10 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 0.00 2.34 2.33 0.00 21 E 7.96 4.43 0.00 2.10 1.95 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 2.29 2.46 0.00 22 G 7.96 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 0.00 0.00 0.00 23 V 7.85 4.22 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 0.77 0.00 0.00 0.96 0.00 0.00 24 T 8.43 4.00 4.23 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 1.21 0.00 0.00 25 P 0.00 4.67 0.00 2.12 2.22 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 26 L 7.64 4.66 0.00 1.72 1.61 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.76 3.89 0.00 1.87 2.02 0.00 3.17 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 28 A 8.05 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.89 3.86 0.00 2.05 1.97 0.00 3.28 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 30 I 7.69 3.74 1.98 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 1.40 0.65 0.66 0.00 0.00 31 A 8.43 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 3.81 0.00 2.10 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 0.00 2.28 2.30 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2.60 2.54 0.00 109 S 8.37 4.54 0.00 4.08 3.96 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 0.00 110 D 8.50 4.54 0.00 2.71 2.76 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 0.00 111 E 8.16 3.97 0.00 2.04 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 2.40 2.43 0.00 112 V 7.64 3.63 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 1.06 0.00 0.00 0.92 0.00 0.00 113 E 8.15 3.98 0.00 2.27 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 2.35 2.64 0.00 114 R 8.14 3.93 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 115 R 7.77 3.98 0.00 2.00 1.98 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 116 L 8.08 4.03 0.00 1.89 1.73 0.97 0.68 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 0.00 117 V 7.82 3.72 2.26 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 0.83 0.00 0.00 1.02 0.00 0.00 118 K 7.61 4.12 0.00 2.04 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.70 7.81 119 V 8.15 3.79 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 0.81 0.00 0.00 1.00 0.00 0.00 120 L 7.90 4.20 0.00 1.68 1.58 0.91 0.83 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 0.00 121 K 8.59 4.14 0.00 1.77 1.73 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81 122 D 7.74 4.62 0.00 2.55 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.24 4.41 2.08 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 0.80 0.00 0.00 0.93 0.00 0.00 124 S 8.08 4.27 0.00 3.97 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 0.00 125 R 7.36 5.08 0.00 1.97 1.86 0.00 3.03 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 126 S 9.16 4.32 0.00 3.88 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 0.00 127 P 0.00 4.03 0.00 1.50 1.83 0.00 3.73 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.51 0.00 128 F 7.63 4.79 0.00 3.12 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 0.00 129 G 8.35 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.06 4.70 0.00 2.85 2.82 0.00 0.00 6.93 8.03 0.00 0.00 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 P 0.00 4.89 0.00 2.11 2.08 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 132 I 8.59 4.24 2.04 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 1.29 0.56 0.91 0.00 0.00 133 P 0.00 4.48 0.00 2.17 2.32 0.00 3.80 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 134 G 8.78 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.37 4.05 0.00 1.89 1.74 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.00 4.43 0.00 2.70 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 0.00 137 E 8.08 4.00 0.00 1.95 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 2.31 2.43 0.00 138 L 7.68 4.11 0.00 1.70 1.87 0.98 1.07 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 0.00 139 G 8.33 3.79 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 0.00 0.00 0.00 140 V 7.53 4.20 2.08 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 0.70 0.00 0.00 1.02 0.00 0.00 *148 P 0.00 4.01 0.00 2.11 1.93 0.00 3.72 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 1.84 1.60 0.00 149 G 8.78 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 0.00 0.00 0.00 150 T 8.02 4.27 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 1.21 0.00 0.00 151 R 8.41 4.46 0.00 1.84 1.84 0.00 3.13 0.00 0.00 3.49 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 152 V 8.69 3.58 2.26 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 1.00 0.00 0.00 0.97 0.00 0.00 153 I 7.51 3.60 1.78 0.00 0.00 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 1.22 0.70 0.80 0.00 0.00 154 D 8.02 4.48 0.00 2.67 2.70 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 0.00 155 A 8.01 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 0.00 156 A 7.77 4.07 1.34 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 0.00 0.00 0.00 157 T 8.26 4.46 4.36 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 1.27 0.00 0.00 158 S 8.79 4.13 0.00 3.63 3.79 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 0.00 159 M 7.74 4.65 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.12 0.00 160 P 0.00 5.08 0.00 1.92 2.13 0.00 3.73 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 161 R 8.33 4.62 0.00 1.98 1.71 0.00 3.05 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 162 K 8.54 5.16 0.00 1.78 1.65 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.60 7.81 163 V 8.71 4.54 2.33 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 0.61 0.00 0.00 0.93 0.00 0.00 164 R 8.54 5.00 0.00 1.86 1.74 0.00 3.16 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 165 I 8.66 3.92 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.91 0.00 0.00 166 V 9.12 3.96 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 0.82 0.00 0.00 0.97 0.00 0.00 167 Q 7.71 4.56 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 168 I 8.48 3.87 2.06 0.00 0.00 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 1.34 0.76 0.75 0.00 0.00 169 N 7.95 4.12 0.00 3.01 3.07 0.00 0.00 7.16 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 0.00 170 E 7.70 4.00 0.00 1.85 1.60 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 1.47 1.78 0.00 171 I 7.57 3.57 1.59 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 -0.23 0.00 0.00 172 F 7.41 5.00 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 7.99 4.46 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.90 2.87 0.00 174 V 8.37 3.99 2.08 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 0.81 0.00 0.00 0.96 0.00 0.00 175 E 8.02 4.15 0.00 1.98 1.83 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 2.28 2.22 0.00 176 T 8.02 3.47 3.13 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 0.67 0.00 0.00 177 D 7.99 4.48 0.00 2.63 2.73 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 0.00 0.00 0.00 178 Q 7.79 4.66 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 179 F 8.35 4.39 0.00 3.13 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 0.00 180 T 8.05 4.01 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 1.28 0.00 0.00 181 Q 8.10 4.02 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 182 L 7.96 4.01 0.00 1.81 1.90 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.65 4.06 0.00 1.81 1.72 0.94 1.01 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 0.00 184 D 8.33 4.36 0.00 2.79 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 0.00 185 A 8.43 4.17 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 0.00 186 D 7.57 4.34 0.00 3.01 2.85 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 0.00 0.00 0.00 187 I 8.10 4.06 1.86 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 1.30 0.64 0.87 0.00 0.00 188 R 8.68 4.62 0.00 1.77 1.76 0.00 3.15 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 189 V 8.12 3.80 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 0.87 0.00 0.00 0.89 0.00 0.00 190 G 8.96 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 0.00 0.00 0.00 191 S 8.04 4.29 0.00 3.82 3.52 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 0.00 192 E 8.70 4.82 0.00 1.87 1.91 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 2.29 2.33 0.00 193 V 8.87 4.69 2.24 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 0.66 0.00 0.00 0.92 0.00 0.00 194 E 9.22 4.86 0.00 2.06 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 2.27 2.33 0.00 195 I 8.96 5.33 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.34 0.91 0.00 0.00 196 V 7.48 5.04 2.08 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 1.01 0.00 0.00 0.99 0.00 0.00 197 D 8.47 4.97 0.00 2.67 2.57 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 0.00 198 R 8.78 4.17 0.00 1.85 1.47 0.00 3.35 0.00 0.00 3.26 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 0.00 *201 H 9.25 4.56 0.00 2.95 2.92 0.00 7.16 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 I 8.07 4.27 1.89 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 1.35 0.76 0.97 0.00 0.00 203 T 8.11 5.04 4.25 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 1.22 0.00 0.00 204 L 9.21 4.81 0.00 1.65 1.59 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 205 S 8.37 5.12 0.00 3.74 3.77 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 0.00 206 H 9.69 4.53 0.00 3.16 3.10 0.00 5.93 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 N 9.70 4.06 0.00 2.71 2.82 0.00 0.00 7.10 7.98 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 0.00 208 G 8.37 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 0.00 0.00 0.00 0.00 209 K 7.97 4.37 0.00 1.92 1.74 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 210 D 8.64 5.18 0.00 2.51 2.57 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 0.00 211 V 8.75 4.19 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 0.97 0.00 0.00 0.96 0.00 0.00 212 E 8.77 4.79 0.00 2.03 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 0.00 2.26 2.45 0.00 213 L 8.58 4.35 0.00 1.62 1.64 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 214 L 8.26 4.78 0.00 1.84 1.56 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 215 D 8.62 4.47 0.00 2.75 2.68 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 0.00 216 D 8.10 4.36 0.00 2.71 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 0.00 217 L 8.00 4.14 0.00 1.89 1.78 1.07 1.12 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 0.00 218 A 8.35 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 H 8.07 4.61 0.00 3.12 3.39 0.00 5.80 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 T 7.29 4.56 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 1.37 0.00 0.00 221 I 7.81 4.23 1.89 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 1.38 0.90 0.94 0.00 0.00 222 R 8.69 5.10 0.00 1.84 1.88 0.00 3.24 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 223 I 9.05 4.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.97 0.91 0.00 0.00 224 E 9.56 4.45 0.00 2.03 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 2.27 2.26 0.00 225 E 8.68 4.18 0.00 2.03 1.71 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.