NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4954 8.3349 117.1006 57.5220 64.8056 173.7832 4 T 4.5988 7.7165 116.0032 61.1256 70.7070 172.1747 5 S 4.7734 9.1678 121.1576 56.8113 67.7205 172.9381 6 D 4.9406 8.5902 122.4710 52.4999 43.7727 175.3825 7 L 4.7939 8.1685 122.3786 52.5524 45.6768 176.3540 8 I 3.8577 8.2485 123.3992 60.6220 37.6561 174.5283 9 P 4.3606 0.0000 0.0000 62.0227 31.8739 176.2657 10 A 3.1514 8.3303 124.8913 51.3028 18.8569 175.8923 11 P 4.3257 0.0000 0.0000 61.0932 32.6368 174.3722 12 P 4.3525 0.0000 0.0000 62.2373 32.0548 177.5330 13 L 4.0119 8.4376 120.6331 57.6260 41.6853 179.4408 14 S 4.1022 7.8839 111.7057 60.1627 63.0733 174.7832 15 K 4.1866 8.0537 119.9690 55.9772 31.9050 176.4084 16 V 4.1904 7.2579 119.8016 60.0793 32.0907 173.6322 17 P 4.3691 0.0000 0.0000 62.3741 31.9523 175.0322 18 L 5.0552 7.8773 121.9655 52.9396 44.4376 175.7047 19 Q 4.0920 9.1550 128.0725 56.2491 29.8347 175.6230 20 Q 4.3228 8.8276 125.7188 56.2029 29.7003 175.7265 21 N 4.1708 8.6884 117.2391 54.1703 36.1901 175.1608 22 F 4.3478 8.2825 118.6887 58.7061 40.5030 174.3798 23 Q 4.2276 8.4710 128.5512 53.8931 28.0744 175.5957 24 D 5.1478 8.8191 125.9486 55.9877 38.7128 178.4388 25 N 4.4935 8.2140 120.2486 56.3834 37.1995 177.5078 26 Q 4.0982 7.6032 120.9415 58.8397 28.3102 179.5135 27 F 5.0678 7.8108 118.3621 59.3232 39.8735 175.4888 28 Q 4.3935 7.1118 115.9482 57.1942 29.4634 176.3674 29 G 3.6045 9.1372 105.4714 43.8946 0.0000 171.8628 30 K 4.5625 7.7937 119.5951 55.3783 33.2806 177.1500 31 W 4.9300 8.6641 126.2212 55.0712 32.8680 174.1053 32 Y 4.6098 9.4344 122.3404 57.1414 39.4781 175.4461 33 V 4.4112 8.1080 123.7959 62.5214 30.3496 175.8271 34 V 4.1350 8.9547 122.1759 62.2583 33.1677 176.3576 35 G 3.7985 7.6350 106.8781 44.1334 0.0000 171.4428 36 L 5.3880 8.9059 124.2819 53.3751 45.7678 174.7688 37 A 5.5358 8.9252 126.7957 49.4267 23.4202 175.0638 38 G 3.8655 7.9143 107.3629 45.9818 0.0000 173.5199 39 N 4.3112 7.7689 116.9292 54.2298 37.4875 175.8409 40 A 4.6497 7.7843 120.0360 51.8048 19.9221 175.6721 41 I 4.2572 7.4174 119.1237 60.4023 38.1679 174.7852 42 L 5.0276 8.0728 124.4683 52.3897 44.8836 176.4653 43 R 3.9936 8.5735 126.8702 57.4245 30.9142 176.9658 44 E 4.5586 8.6557 122.9039 54.8154 31.9390 173.5182 45 D 4.2925 8.8168 126.6839 56.2462 40.6779 177.6016 46 K 3.7510 7.6805 121.7518 58.7804 32.5697 177.0596 47 D 4.9076 7.4600 122.9553 49.4918 40.2120 175.4460 48 P 4.5969 0.0000 0.0000 61.7620 32.0351 176.9508 49 Q 4.1121 8.6784 121.9977 56.6520 30.0158 174.9820 50 K 4.7916 8.5998 125.6030 55.0773 33.6812 176.2115 51 M 4.3360 8.7529 124.8387 56.6389 33.1150 174.5781 52 Y 5.2021 8.4224 121.2852 55.3333 42.5139 173.2663 53 A 5.0706 8.9584 119.3043 50.5885 23.3200 175.3120 54 T 4.9291 8.8415 115.4807 61.9371 72.6785 173.1106 55 I 4.7974 8.9060 127.7466 59.8148 39.8499 174.1213 56 Y 4.5976 9.0681 125.6313 56.3516 39.9893 174.5366 57 E 5.1311 9.1258 124.3960 54.2666 32.8012 175.4459 58 L 4.4132 9.3859 126.0072 54.6103 42.3360 177.6508 59 K 4.3999 8.7632 123.8181 54.9135 33.4790 177.4518 60 E 3.8977 8.7797 121.0810 59.5524 29.3920 177.3162 61 D 4.5430 7.9863 114.7547 53.3972 39.6982 176.9557 62 K 3.9863 8.2126 118.8913 56.6021 30.6265 176.2321 63 S 4.7818 8.2226 114.6257 58.0420 65.4031 172.5176 64 Y 5.3314 9.5703 118.8294 56.4715 40.7409 174.6552 65 N 4.8416 9.5965 122.3812 52.3779 40.6982 173.7011 66 V 4.2402 8.5148 127.7743 61.3474 33.6798 174.3220 67 T 5.0458 8.5884 125.0044 61.9084 71.2812 173.4179 68 S 5.4223 9.4632 122.8672 56.7126 66.2177 173.5547 69 V 4.6567 8.8344 122.3823 59.9354 34.2056 174.4844 70 L 5.1147 8.4729 124.0832 52.7137 45.9792 175.2489 71 F 5.3799 8.9937 126.7847 57.7181 40.3492 175.9901 72 R 4.2591 8.9880 127.0866 56.1652 33.2124 172.3111 73 K 3.7971 9.2876 124.9388 55.4436 29.0049 175.0721 74 K 4.0047 7.6366 118.3949 55.3096 29.8183 178.0719 75 K 4.9046 7.7090 117.4446 55.5576 35.4401 174.1785 76 C 5.0864 8.7004 118.1259 56.3073 39.4038 172.6080 77 D 4.9698 9.0061 124.0710 52.5949 43.2066 174.1029 78 Y 5.3198 8.8899 125.6779 56.6556 40.4471 175.7130 *79 W 4.8277 8.8374 125.8415 55.0301 32.3763 171.8755 80 I 5.1082 8.4596 124.3015 58.8196 39.4110 175.0424 81 R 4.8683 9.0791 122.1561 54.8580 33.6816 173.7653 82 T 5.0547 8.5479 115.9163 61.9941 71.3726 173.2439 83 F 5.6094 9.4296 126.0140 56.2761 41.0842 174.8839 84 V 4.7466 9.3163 125.3000 60.6235 33.0497 173.3374 85 P 4.2540 0.0000 0.0000 62.9389 31.4482 176.0464 86 G 4.1580 8.2926 112.2879 46.0815 0.0000 176.1644 87 S 4.3622 8.8354 117.9330 60.6164 63.5969 174.2970 88 Q 4.5013 7.4068 116.7602 53.3540 31.3101 171.9277 89 P 4.3035 0.0000 0.0000 64.4059 31.6894 176.9426 90 G 3.0255 8.7433 110.8846 44.2985 0.0000 171.9032 91 E 4.9591 7.2311 120.4251 54.3232 32.9013 174.6392 92 F 5.3574 9.1820 122.8729 56.4058 44.3135 173.1395 93 T 5.1920 9.3743 115.1480 59.2502 71.1318 172.1267 94 L 4.9497 8.5638 126.3685 53.9814 42.9278 176.4445 95 G 3.8453 9.1892 114.0418 45.7537 0.0000 172.6157 96 N 4.2968 8.6518 117.4089 54.4410 37.6260 175.4411 97 I 3.8841 7.8196 122.5651 64.7214 39.0842 177.9591 98 K 3.9330 8.5041 121.0800 57.8486 31.2491 179.9686 99 S 4.2118 7.7409 111.0012 59.4312 62.9973 173.4103 100 Y 4.5388 8.5288 120.8321 55.4172 39.0494 173.4335 101 P 4.4425 0.0000 0.0000 64.1499 31.8187 177.0902 102 G 3.9483 9.1439 111.9489 45.0543 0.0000 172.2225 103 L 4.7837 7.5830 121.9471 54.6265 42.1882 175.9238 104 T 4.7853 8.7147 116.3077 61.7760 70.6722 174.3803 105 S 4.7933 7.8694 115.8912 57.6603 66.6389 172.9397 106 Y 4.9298 8.3400 121.5202 56.9935 41.8881 172.6003 107 L 5.0496 9.1553 129.5184 53.1487 45.7443 175.0491 108 V 4.4519 8.9456 125.4410 60.9103 34.7427 174.1056 109 R 4.8122 8.8283 127.6560 54.2498 33.2385 174.2632 110 V 3.6255 8.8561 128.3266 63.0170 31.6950 176.7548 111 V 4.3241 8.7012 129.6011 65.2186 32.0545 176.3090 112 S 5.2592 7.3356 111.4680 59.1107 65.6267 174.1246 113 T 4.5242 8.2237 113.4507 61.8214 69.7190 172.5130 114 N 4.7550 8.1553 122.2624 52.1045 37.7988 176.6904 115 Y 4.1889 8.3777 121.2550 59.2650 37.7003 170.2124 116 N 4.8469 8.4861 113.6173 52.7264 38.6515 174.6724 117 Q 4.6329 8.3443 116.2260 57.6182 33.0106 174.3298 118 H 5.7783 9.0011 112.4247 54.8409 32.6983 171.7236 119 A 4.9300 8.8231 118.5754 51.3430 23.2089 175.2464 120 M 5.2297 9.1283 119.2617 53.4972 35.5879 174.9666 121 V 4.6679 8.4667 123.5606 60.8589 35.0108 173.7572 122 F 5.4168 8.8699 129.6341 56.6564 41.6712 174.2821 123 F 4.9661 8.5758 123.6465 55.4334 43.1163 173.8819 124 K 4.9834 8.5751 122.9103 54.6855 35.6321 175.0791 125 K 5.1134 9.3561 125.5021 55.3703 36.9175 175.1107 126 V 4.8571 8.9584 121.6123 61.3609 34.0157 174.2007 127 S 5.0433 8.9397 122.6162 57.2140 65.7232 173.8947 128 Q 3.4702 9.7142 125.8221 57.4038 26.7267 174.2130 129 N 4.2283 8.3420 109.9326 53.9016 37.0745 174.4937 130 R 4.3699 8.0513 118.4097 54.3403 31.8529 174.8192 131 E 4.7250 8.3495 123.2974 55.5341 30.2902 174.6229 132 Y 5.2177 9.0437 125.6482 56.2872 41.2495 175.0232 133 F 5.4320 9.0228 116.7051 55.3378 41.8517 173.4610 134 K 4.8728 8.9174 118.8596 55.8861 36.6434 174.6711 135 I 5.4200 9.4621 122.4837 59.8879 40.8784 174.5590 136 T 4.8734 9.0050 117.0299 59.7847 71.6860 173.0615 137 L 4.5963 8.3887 127.1342 53.7056 43.6294 174.5453 138 Y 5.4533 9.3243 126.1272 56.8500 40.1184 175.1476 139 G 4.6420 9.4905 110.0807 44.5286 0.0000 173.8903 140 R 4.1450 9.6149 124.5457 58.1141 30.7018 176.2701 141 T 4.7751 7.8340 107.0401 59.2048 71.4455 174.1741 142 K 3.8999 8.0182 120.0738 57.7589 32.2734 177.2092 143 E 4.7846 7.4669 117.5222 54.3156 32.4116 175.0867 144 L 4.9422 8.0778 120.6699 52.0354 45.9715 177.1365 145 T 4.0850 8.2210 110.9160 61.8644 70.6641 175.4855 146 S 4.1568 8.5205 116.9680 60.8462 63.0962 176.3121 147 E 3.8981 8.0535 123.3296 59.3292 29.5618 178.3937 148 L 4.0184 7.7264 118.6025 57.8069 41.7155 179.6344 149 K 4.2528 8.2481 118.4271 59.6920 31.8718 179.2867 150 E 4.1081 8.3637 118.9161 59.3130 29.2705 178.8793 151 N 4.3616 8.4376 117.2613 56.6941 39.0471 176.7280 152 F 4.4721 8.6223 122.1483 61.4396 39.4766 177.2552 153 I 3.6021 8.0955 119.5745 64.3121 36.8421 178.6427 154 R 3.9542 8.3759 119.2528 59.2817 29.5596 178.9410 155 F 4.2504 8.6898 120.8208 61.3454 39.3712 177.4315 156 S 3.8181 8.0873 115.0093 61.2722 62.4496 176.7818 157 K 4.5414 8.3127 122.8937 58.8044 31.6251 179.3553 158 S 4.1775 8.1798 113.3736 60.1914 62.7679 175.3861 159 L 4.4442 6.9163 121.3701 54.2552 41.8966 177.0813 160 G 3.9627 8.2704 107.6262 45.0354 0.0000 173.8060 161 L 4.3549 7.8018 121.1864 52.8462 42.7847 175.1154 162 P 4.9100 0.0000 0.0000 61.4515 33.0013 176.5713 163 E 3.9264 8.8408 119.4034 59.4714 29.6289 178.0703 164 N 4.6246 8.2400 113.1651 54.4363 37.6551 175.1740 165 H 4.9559 8.6954 115.8576 54.8168 29.1589 173.2880 166 I 4.9303 7.8334 120.4937 59.6331 39.6607 175.4115 167 V 4.4983 9.3360 119.8556 59.5942 36.3499 174.9353 168 F 4.9608 8.6093 121.0163 53.8628 40.0655 173.2270 169 P 4.5631 0.0000 0.0000 63.0498 32.2084 176.1703 170 V 3.9703 8.7258 123.7556 61.6999 32.5587 173.5671 171 P 4.6461 0.0000 0.0000 63.3714 31.7862 175.4378 172 I 4.7335 8.1725 115.2816 59.7043 40.9004 174.2106 173 D 4.8328 7.9160 118.9377 54.9695 42.3490 177.4590 174 Q 3.8851 7.6474 117.6774 57.0488 29.1521 177.0690 175 C 4.3534 8.8021 124.8561 58.2725 39.1172 174.2934 176 I 4.0186 6.9489 110.3805 61.2269 37.8084 175.4996 177 D 4.6158 7.9424 126.2783 54.8223 40.8371 176.0911 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 3 S 8.33 4.50 0.00 3.65 3.85 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 4 T 7.72 4.60 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 1.28 0.00 0.00 5 S 9.17 4.77 0.00 3.79 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 6 D 8.59 4.94 0.00 2.61 2.53 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 0.00 0.00 0.00 0.00 7 L 8.17 4.79 0.00 1.48 1.44 0.43 0.95 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 8 I 8.25 3.86 1.91 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 1.39 0.41 1.09 0.00 0.00 9 P 0.00 4.36 0.00 1.99 1.95 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 10 A 8.33 3.15 1.24 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 0.00 0.00 11 P 0.00 4.33 0.00 1.91 1.71 0.00 3.03 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 12 P 0.00 4.35 0.00 2.15 2.13 0.00 3.55 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 13 L 8.44 4.01 0.00 1.68 1.66 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.88 4.10 0.00 3.91 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 15 K 8.05 4.19 0.00 1.67 1.73 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.26 7.81 16 V 7.26 4.19 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 0.36 0.00 0.00 0.04 0.00 0.00 17 P 0.00 4.37 0.00 2.08 1.88 0.00 3.59 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 18 L 7.88 5.06 0.00 1.51 1.45 0.79 0.73 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 19 Q 9.16 4.09 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 20 Q 8.83 4.32 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 21 N 8.69 4.17 0.00 2.92 2.91 0.00 0.00 6.91 7.45 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 22 F 8.28 4.35 0.00 3.01 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 23 Q 8.47 4.23 0.00 1.24 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 24 D 8.82 5.15 0.00 3.10 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 25 N 8.21 4.49 0.00 2.93 3.12 0.00 0.00 6.38 7.34 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 26 Q 7.60 4.10 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 27 F 7.81 5.07 0.00 3.15 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 28 Q 7.11 4.39 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.11 0.00 0.00 0.00 0.00 0.00 2.78 2.88 0.00 29 G 9.14 3.60 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 0.00 0.00 0.00 30 K 7.79 4.56 0.00 1.56 1.39 0.00 0.94 0.00 0.00 0.95 0.00 0.00 2.63 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.89 1.18 7.81 31 W 8.66 4.93 0.00 2.59 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 0.00 0.00 0.00 0.00 32 Y 9.43 4.61 0.00 2.99 2.83 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 33 V 8.11 4.41 1.36 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 0.65 0.00 0.00 0.61 0.00 0.00 34 V 8.95 4.13 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 1.01 0.00 0.00 1.02 0.00 0.00 35 G 7.64 3.80 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 0.00 0.00 0.00 36 L 8.91 5.39 0.00 1.74 1.48 1.02 1.44 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 37 A 8.93 5.54 1.03 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 38 G 7.91 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 39 N 7.77 4.31 0.00 2.76 2.71 0.00 0.00 6.77 7.33 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 40 A 7.78 4.65 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 41 I 7.42 4.26 2.13 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 1.22 1.43 0.91 0.00 0.00 42 L 8.07 5.03 0.00 1.41 1.46 0.88 0.73 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 43 R 8.57 3.99 0.00 1.95 1.83 0.00 3.22 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 44 E 8.66 4.56 0.00 1.63 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 1.89 0.00 45 D 8.82 4.29 0.00 2.67 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 46 K 7.68 3.75 0.00 1.71 1.73 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.45 7.81 47 D 7.46 4.91 0.00 2.70 2.42 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 48 P 0.00 4.60 0.00 2.21 2.14 0.00 3.41 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 49 Q 8.68 4.11 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 50 K 8.60 4.79 0.00 1.78 1.85 0.00 1.91 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.49 7.81 51 M 8.75 4.34 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.66 0.00 52 Y 8.42 5.20 0.00 3.26 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 53 A 8.96 5.07 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 54 T 8.84 4.93 4.18 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 0.00 0.00 0.00 1.13 0.00 0.00 55 I 8.91 4.80 1.83 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 1.16 0.49 0.88 0.00 0.00 56 Y 9.07 4.60 0.00 2.79 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 57 E 9.13 5.13 0.00 1.92 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 2.29 0.00 58 L 9.39 4.41 0.00 1.88 1.64 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.76 4.40 0.00 2.04 1.76 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.43 7.81 60 E 8.78 3.90 0.00 1.93 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 2.31 2.32 0.00 61 D 7.99 4.54 0.00 2.84 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 62 K 8.21 3.99 0.00 1.99 2.08 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.52 7.81 63 S 8.22 4.78 0.00 4.23 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 Y 9.57 5.33 0.00 2.93 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 65 N 9.60 4.84 0.00 2.76 2.70 0.00 0.00 6.70 8.25 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 66 V 8.51 4.24 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 0.10 0.00 0.00 -0.49 0.00 0.00 67 T 8.59 5.05 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 1.39 0.00 0.00 68 S 9.46 5.42 0.00 3.73 3.81 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 69 V 8.83 4.66 2.05 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 0.75 0.00 0.00 0.40 0.00 0.00 70 L 8.47 5.11 0.00 1.53 1.49 0.74 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.99 5.38 0.00 2.87 3.01 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 72 R 8.99 4.26 0.00 1.66 1.70 0.00 3.47 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 73 K 9.29 3.80 0.00 1.91 1.77 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 0.98 7.81 74 K 7.64 4.00 0.00 1.95 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 1.02 7.81 75 K 7.71 4.90 0.00 1.75 1.73 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.38 7.81 76 C 8.70 5.09 0.00 2.92 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 77 D 9.01 4.97 0.00 2.61 2.48 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 78 Y 8.89 5.32 0.00 2.88 2.86 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 *79 W 8.84 4.83 0.00 2.16 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 0.00 0.00 0.00 80 I 8.46 5.11 1.87 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 1.38 1.10 0.96 0.00 0.00 81 R 9.08 4.87 0.00 1.85 2.03 0.00 2.73 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.52 0.00 82 T 8.55 5.05 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 1.36 0.00 0.00 83 F 9.43 5.61 0.00 3.04 2.90 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 0.00 0.00 0.00 84 V 9.32 4.75 2.34 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 1.06 0.00 0.00 1.11 0.00 0.00 85 P 0.00 4.25 0.00 2.00 2.00 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.46 0.00 86 G 8.29 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.84 4.36 0.00 3.94 3.97 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 0.00 0.00 0.00 88 Q 7.41 4.50 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.10 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 89 P 0.00 4.30 0.00 2.16 2.17 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 90 G 8.74 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.37 1.04 7.81 99 S 7.74 4.21 0.00 3.81 4.20 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 0.00 100 Y 8.53 4.54 0.00 3.05 2.87 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 0.00 101 P 0.00 4.44 0.00 2.07 2.03 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 102 G 9.14 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 0.00 103 L 7.58 4.78 0.00 1.68 1.78 1.14 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.71 4.79 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 1.25 0.00 0.00 105 S 7.87 4.79 0.00 3.92 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 0.00 106 Y 8.34 4.93 0.00 2.99 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 0.00 107 L 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.58 4.98 0.00 1.68 1.58 0.00 1.80 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.54 7.81 125 K 9.36 5.11 0.00 2.09 1.68 0.00 1.45 0.00 0.00 1.72 0.00 0.00 2.63 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.56 7.81 126 V 8.96 4.86 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 1.06 0.00 0.00 0.96 0.00 0.00 127 S 8.94 5.04 0.00 4.01 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 0.00 128 Q 9.71 3.47 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.10 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 129 N 8.34 4.23 0.00 2.88 2.92 0.00 0.00 7.10 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 0.00 130 R 8.05 4.37 0.00 1.84 1.38 0.00 3.05 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 131 E 8.35 4.72 0.00 1.93 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 2.27 2.35 0.00 132 Y 9.04 5.22 0.00 2.96 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 0.00 133 F 9.02 5.43 0.00 2.76 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 0.00 134 K 8.92 4.87 0.00 1.89 1.76 0.00 1.16 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.45 7.81 135 I 9.46 5.42 2.20 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.02 1.45 0.00 0.00 136 T 9.00 4.87 3.97 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 0.00 0.00 1.28 0.00 0.00 137 L 8.39 4.60 0.00 0.27 0.75 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 9.32 5.45 0.00 2.22 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 0.00 139 G 9.49 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.61 4.14 0.00 1.83 1.91 0.00 2.21 0.00 0.00 2.77 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 0.00 141 T 7.83 4.78 4.20 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 1.23 0.00 0.00 142 K 8.02 3.90 0.00 1.50 1.64 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.69 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.30 7.81 143 E 7.47 4.78 0.00 2.02 1.79 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 2.16 2.33 0.00 144 L 8.08 4.94 0.00 1.61 1.56 1.07 1.04 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 0.00 145 T 8.22 4.08 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 1.23 0.00 0.00 146 S 8.52 4.16 0.00 4.03 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 0.00 147 E 8.05 3.90 0.00 2.06 1.98 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 2.39 2.41 0.00 148 L 7.73 4.02 0.00 1.85 1.70 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.25 4.25 0.00 1.72 1.69 0.00 1.03 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.59 1.66 7.81 150 E 8.36 4.11 0.00 2.20 2.05 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 2.62 2.47 0.00 151 N 8.44 4.36 0.00 3.01 3.03 0.00 0.00 6.82 7.04 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 0.00 152 F 8.62 4.47 0.00 3.08 3.42 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 0.00 153 I 8.10 3.60 2.14 0.00 0.00 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 1.75 1.32 0.96 0.00 0.00 154 R 8.38 3.95 0.00 2.05 2.03 0.00 3.16 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 155 F 8.69 4.25 0.00 3.10 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 0.00 156 S 8.09 3.82 0.00 3.71 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 0.00 157 K 8.31 4.54 0.00 1.92 1.82 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.36 7.81 158 S 8.18 4.18 0.00 3.97 4.17 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 0.00 159 L 6.92 4.44 0.00 1.55 1.55 0.73 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.27 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 0.00 0.00 0.00 161 L 7.80 4.35 0.00 1.86 1.54 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.91 0.00 2.24 2.19 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.98 0.00 163 E 8.84 3.93 0.00 2.04 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 2.44 2.37 0.00 164 N 8.24 4.62 0.00 2.88 3.04 0.00 0.00 6.10 7.90 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 0.00 165 H 8.70 4.96 0.00 3.27 3.37 0.00 5.56 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.83 4.93 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.66 0.66 0.00 0.00 167 V 9.34 4.50 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 0.74 0.00 0.00 0.96 0.00 0.00 168 F 8.61 4.96 0.00 2.99 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 0.00 169 P 0.00 4.56 0.00 2.14 2.13 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 170 V 8.73 3.97 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 1.06 0.00 0.00 0.99 0.00 0.00 171 P 0.00 4.65 0.00 1.94 1.92 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 172 I 8.17 4.73 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 1.04 0.00 0.00 173 D 7.92 4.83 0.00 2.76 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 0.00 174 Q 7.65 3.89 0.00 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.11 0.00 0.00 0.00 0.00 0.00 1.18 1.99 0.00 175 C 8.80 4.35 0.00 3.11 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 0.00 176 I 6.95 4.02 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.98 0.00 0.00 177 D 7.94 4.62 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.