NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 73 N 4.6196 8.4244 119.1903 53.1001 39.4925 173.5133 74 R 4.4527 8.0594 116.0530 54.3478 33.3762 173.2552 75 I 3.9061 8.6902 127.8983 60.9057 38.9190 173.7299 76 N 5.5031 8.2814 126.1749 51.6828 39.3467 174.7551 77 V 3.8753 8.6172 125.9537 64.8068 32.2379 176.1798 78 F 4.0620 9.3809 121.5802 60.3250 39.4283 176.4001 79 K 4.1939 7.5479 125.4077 57.9526 29.5226 174.5891 80 T 4.4607 8.0664 128.0328 62.1494 67.0101 173.5972 81 N 3.9429 7.9564 122.0676 50.3501 42.8888 174.3028 82 G 3.8785 6.9068 106.9277 45.2574 0.0000 174.8899 83 F 4.6316 8.6688 118.8258 60.3186 39.1991 178.0624 84 S 4.1837 8.1612 114.3010 60.8755 62.7675 175.0882 85 K 4.6031 7.7566 120.3284 56.1311 32.1514 176.7558 86 S 4.4404 8.0574 114.4048 59.8961 64.2647 174.6769 *91 R 4.8028 7.7271 117.6539 56.2519 32.3503 175.9341 92 M 5.1438 7.9916 116.2535 54.9556 33.8753 175.4732 93 T 4.7566 8.6020 110.4259 61.3012 73.0600 172.3571 94 S 5.2770 8.4308 116.3592 57.1275 67.3434 174.1807 95 K 4.4740 9.0337 123.7024 54.5373 33.6112 175.9500 96 V 3.8829 8.4103 126.3911 63.2267 31.3946 175.3453 97 L 4.5600 9.0573 128.3799 56.0080 43.2868 177.4635 98 V 4.5927 7.5141 117.2668 61.0980 35.2681 173.9597 99 F 5.1961 8.7427 128.8427 56.3831 42.1268 173.4914 100 K 4.5479 8.3718 123.8985 55.8674 36.3107 173.8919 101 E 4.7397 8.7018 122.6552 55.3438 31.1197 174.8098 102 M 4.6450 8.9484 126.8508 53.3685 33.9226 176.9354 103 A 3.9352 8.9488 127.2702 54.5910 18.8903 177.4534 104 T 4.8533 7.4178 110.9012 60.0401 71.0308 172.2486 105 P 4.4670 0.0000 0.0000 61.0498 32.4583 175.1177 106 P 4.2406 0.0000 0.0000 62.9711 33.1658 177.9491 107 K 3.9145 8.4244 120.0997 59.3971 31.9782 179.7005 108 S 4.0201 7.9252 114.1847 61.7146 62.6997 176.7710 109 V 3.3395 7.3805 121.4144 65.2724 31.1308 177.7751 110 Q 3.9025 7.9708 117.9051 59.4609 28.5703 177.9697 111 D 4.3521 8.0784 119.5858 57.7066 40.6092 178.4354 112 E 3.9404 8.4589 120.5615 58.8537 29.7421 178.3739 113 L 4.4533 7.7237 116.0038 52.9969 43.1703 176.6323 114 Q 3.2997 7.8681 116.7980 57.3641 26.5250 172.2314 115 L 4.6816 8.3941 116.7008 52.8741 43.6510 175.4876 116 N 4.9826 7.9959 115.6902 50.4146 40.0321 175.2324 117 A 4.3498 8.5770 120.2520 55.4554 18.4987 179.7077 118 D 4.3305 7.6712 113.8740 55.9038 39.7807 176.7083 119 D 4.7158 7.4686 117.3188 52.2614 41.0542 176.0093 120 T 4.5215 8.1430 117.7992 63.3398 70.3946 173.9987 121 V 4.9967 8.2260 116.1546 59.9285 36.0838 174.0454 122 Y 5.0080 9.1270 120.4004 56.7631 40.2470 174.1897 123 Y 4.8150 9.0865 125.0099 55.7131 42.0396 174.1458 124 L 4.8276 7.5269 126.7765 53.2446 46.1925 174.2608 125 E 4.8606 9.0206 126.9550 54.4178 32.5624 174.5415 126 R 5.0186 8.8531 125.7375 54.2660 34.7961 173.9629 127 L 4.7980 8.7122 125.2344 53.6896 43.8447 175.3167 128 R 5.2543 8.6749 125.6452 54.6639 33.1340 175.2993 129 F 5.2969 9.1597 119.6127 55.7566 43.7528 174.0365 130 V 4.6512 8.8312 121.2387 62.0583 34.4827 175.7261 131 D 4.2241 9.5482 128.8668 55.6037 38.7235 174.7944 132 D 4.7333 8.2182 116.4104 54.2145 40.7341 172.7342 133 D 4.9383 8.3586 119.1057 52.8441 42.4099 176.1203 134 V 3.2693 8.4394 123.8549 61.7511 31.9530 175.1536 135 L 4.5103 8.5817 127.9202 56.6424 43.6785 175.5419 136 C 4.9518 7.2681 110.6711 57.7656 32.6246 172.1193 137 I 4.5494 7.6839 119.4409 59.1639 39.9536 173.6905 138 E 4.7588 8.8166 129.6130 54.5009 32.5496 173.8955 139 Y 4.9881 9.1716 125.4567 56.7112 40.0117 174.6576 140 S 5.0635 8.8862 121.3796 56.6359 66.2793 173.0031 141 Y 5.2013 8.8134 121.7110 56.4143 40.6969 174.2717 142 Y 5.3693 9.1044 121.6464 56.3659 41.7779 174.7646 143 H 4.8566 9.5491 124.1418 55.5469 30.1232 175.5503 144 K 4.0572 8.8814 128.8218 59.6134 32.3553 178.4857 145 E 3.9274 8.3689 118.2712 59.4258 29.7945 177.8356 146 I 3.7922 7.5610 117.6935 64.2672 37.2681 177.6500 147 V 3.7187 7.8076 118.0297 63.1414 31.8761 176.4374 148 K 4.5841 9.7629 122.8977 56.7362 31.2325 176.1650 149 Y 4.8018 7.2473 112.9859 57.6733 41.5069 172.8266 150 L 4.1878 7.0449 126.0203 52.2609 45.7818 175.2649 151 N 4.0329 6.8692 117.0339 50.5545 41.2371 174.9869 152 D 3.7496 7.7451 120.0609 55.8203 39.8822 177.8867 153 D 4.3741 7.7346 120.0946 57.5783 41.0488 178.7776 154 I 3.5880 8.3481 119.7497 63.7288 36.7257 178.2969 155 A 3.8598 7.1925 121.0101 54.6032 18.1437 179.4427 156 K 4.0862 7.7238 116.5885 60.1763 32.5193 177.6991 157 G 4.1107 7.7520 109.1044 44.8889 0.0000 174.0227 158 S 4.4253 8.4881 117.9004 57.4803 63.0820 175.3801 159 I 3.6673 8.2733 131.3239 64.3584 37.0272 177.9979 160 F 3.9899 8.3140 121.0414 61.5611 39.2733 176.8037 161 D 4.5007 8.4642 118.5398 57.3021 40.6060 178.0217 162 Y 4.2821 7.9400 121.4175 60.1767 38.7464 178.1636 163 L 3.6870 8.3534 120.1698 57.7520 41.8057 179.3664 164 E 3.8537 7.9412 118.0983 58.8154 29.4050 179.1779 165 S 4.1456 8.1807 114.2275 61.6904 63.1299 175.9798 166 N 4.3633 7.9145 119.3294 56.1255 38.2113 177.3397 167 M 3.6101 7.0930 120.2353 56.0931 32.5318 176.5795 168 K 4.2447 6.8933 116.2695 55.9372 30.3215 175.0501 169 L 3.9807 7.8367 120.3621 54.2903 42.9731 176.2852 170 R 4.2088 8.2910 125.4619 55.3236 29.4875 174.9205 171 I 4.3229 8.1237 124.4285 60.7258 37.7660 175.4659 172 G 4.2697 9.5515 115.6268 47.4027 0.0000 173.9260 173 F 5.4400 7.6076 113.6565 55.2393 42.1425 172.1425 174 S 5.1414 8.7299 111.5694 57.3962 65.7862 173.1825 175 D 4.9031 8.9517 122.1865 52.9375 42.8026 175.2997 176 I 4.8776 8.0652 123.8142 59.4202 39.6799 174.9187 177 F 4.9331 9.2833 125.7846 55.6282 42.1066 174.3365 178 F 5.7280 8.1858 116.5461 55.9507 41.1116 172.7564 179 N 5.1160 9.2771 116.3953 51.9662 41.0474 173.2514 180 V 4.7293 8.2790 119.2453 62.3300 33.5661 173.9262 181 D 4.6816 8.6624 124.3663 53.4613 45.3356 173.8581 182 K 4.8254 8.4500 119.3759 55.5853 33.4100 177.2702 183 L 4.5405 8.5215 122.8953 54.6294 43.6137 177.2638 184 T 4.4643 9.4155 119.0534 62.7270 70.2138 176.2787 185 S 4.6350 8.8798 117.0701 61.4892 62.3135 176.1041 186 S 4.2218 8.0163 116.5247 61.2559 62.8227 176.1595 187 E 3.9602 8.1771 121.5145 59.3167 29.3218 178.7218 188 A 4.0075 8.0028 120.8134 55.2756 18.2640 179.6464 189 S 4.1230 7.9856 111.2269 61.6972 62.3654 176.1870 190 L 4.0719 8.0683 120.6542 57.4749 41.3887 178.6926 191 L 4.4435 7.7623 116.5183 53.8279 43.3561 177.7495 192 Q 3.1552 7.4490 114.3979 57.4763 27.4132 171.9758 193 L 4.9270 8.6769 122.0036 53.7605 46.6346 176.3521 194 S 4.6536 9.3594 115.5192 57.5471 64.1396 174.2046 195 T 4.0905 8.2544 119.4494 65.1654 68.5370 174.9872 196 G 3.9888 8.7519 114.7275 45.3143 0.0000 173.5588 197 E 4.1254 7.8508 119.3381 55.3234 30.7281 174.9149 198 P 4.9120 0.0000 0.0000 63.4176 32.4435 175.0055 199 C 4.8166 8.8018 115.2024 57.7275 33.7701 172.0247 200 L 5.2620 8.4214 121.1747 53.5219 44.1334 174.9557 201 R 5.1977 9.3362 125.9962 55.0479 32.3346 174.6775 202 Y 5.4194 9.3556 125.0613 56.2121 42.1164 173.2589 203 H 5.5375 9.6342 126.8242 54.5259 32.9690 172.6033 204 Q 4.9193 8.8616 125.4171 54.6927 32.8647 173.4570 205 T 4.9160 8.6894 122.5646 61.8407 71.3992 173.0008 206 F 4.7129 8.6786 125.7356 56.2482 41.0465 174.6396 207 Y 5.1678 8.7878 120.6207 56.0481 41.1799 175.7220 208 T 4.7054 9.1725 113.6144 61.6793 70.1530 175.2886 209 M 4.3788 8.6905 120.9651 57.8880 32.0035 177.7199 210 T 4.4246 8.1256 107.6555 61.3257 69.0557 175.5546 211 G 4.1675 8.3762 109.3963 45.8057 0.0000 173.9353 212 K 4.4755 8.1308 120.7504 54.6501 32.7957 174.6736 213 P 4.3532 0.0000 0.0000 62.5674 31.9942 175.8660 214 F 5.1124 8.4682 115.1993 56.3314 40.3910 174.0061 215 D 4.8496 7.2638 119.6409 52.7670 44.6158 173.3836 216 S 5.0678 8.9963 120.9493 56.6731 64.9620 172.7112 217 S 5.3492 9.1598 123.3555 56.8113 66.7796 172.8433 218 D 5.5435 9.3399 122.9684 52.7060 44.2625 174.8905 219 I 4.9282 9.4393 123.8943 59.3601 41.3688 174.5631 220 V 4.8845 8.3034 125.7669 61.2581 33.5291 174.6492 221 F 5.0248 9.2042 127.1066 56.8502 41.2147 174.6203 222 H 4.7447 9.3486 123.3328 56.1261 30.0068 176.0481 223 Y 4.3393 8.9766 124.5280 59.6851 38.3489 177.1498 224 R 3.9130 7.1698 118.2334 58.0654 30.6398 176.9621 225 H 4.4504 8.2449 112.5906 56.2980 29.3479 174.6300 226 A 4.2533 7.7263 122.7798 50.3154 19.8216 176.0405 227 Q 4.5764 7.7042 121.2443 54.2935 32.4411 174.7965 228 F 5.2924 8.8157 120.9467 55.9988 42.8368 173.7517 229 Y 5.0091 8.9081 120.6153 56.5999 42.5340 173.8082 230 I 4.2212 7.1771 124.5455 58.9841 41.5488 172.3861 231 P 4.3631 0.0000 0.0000 61.3321 32.4263 175.4819 232 S 4.5289 8.0074 118.6874 57.1123 65.2128 174.2936 233 K 4.1220 8.1650 119.5913 57.2622 32.7802 176.0608 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 73 N 8.42 4.62 0.00 2.63 2.56 0.00 0.00 6.72 6.77 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 74 R 8.06 4.45 0.00 1.79 1.65 0.00 3.22 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 75 I 8.69 3.91 1.14 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.50 0.00 0.00 76 N 8.28 5.50 0.00 2.80 2.81 0.00 0.00 7.05 7.56 0.00 0.00 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 V 8.62 3.88 2.23 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 1.11 0.00 0.00 1.00 0.00 0.00 78 F 9.38 4.06 0.00 2.88 3.03 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 79 K 7.55 4.19 0.00 2.04 2.29 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.58 7.81 80 T 8.07 4.46 4.46 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 1.67 0.00 0.00 81 N 7.96 3.94 0.00 2.57 2.36 0.00 0.00 7.20 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 82 G 6.91 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.67 4.63 0.00 3.08 3.03 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 84 S 8.16 4.18 0.00 4.02 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.76 4.60 0.00 1.69 1.83 0.00 1.73 0.00 0.00 2.03 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.47 7.81 86 S 8.06 4.44 0.00 3.84 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 *91 R 7.73 4.80 0.00 1.83 1.99 0.00 3.42 0.00 0.00 3.28 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 92 M 7.99 5.14 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 93 T 8.60 4.76 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 1.20 0.00 0.00 94 S 8.43 5.28 0.00 3.73 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 95 K 9.03 4.47 0.00 1.90 1.82 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 96 V 8.41 3.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.88 0.00 0.00 97 L 9.06 4.56 0.00 1.54 1.74 0.98 0.86 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 98 V 7.51 4.59 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 1.21 0.00 0.00 1.12 0.00 0.00 99 F 8.74 5.20 0.00 2.99 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 0.00 100 K 8.37 4.55 0.00 1.81 1.87 0.00 1.38 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.42 7.81 101 E 8.70 4.74 0.00 2.10 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 2.10 1.92 0.00 102 M 8.95 4.65 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 103 A 8.95 3.94 1.27 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 0.00 104 T 7.42 4.85 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 1.22 0.00 0.00 105 P 0.00 4.47 0.00 1.90 1.88 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 106 P 0.00 4.24 0.00 1.81 1.81 0.00 3.27 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 1.42 2.05 0.00 107 K 8.42 3.91 0.00 1.72 1.79 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.43 7.81 108 S 7.93 4.02 0.00 3.93 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 0.00 109 V 7.38 3.34 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.36 0.00 0.00 110 Q 7.97 3.90 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 111 D 8.08 4.35 0.00 2.81 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 0.00 112 E 8.46 3.94 0.00 1.86 1.93 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 2.34 2.39 0.00 113 L 7.72 4.45 0.00 1.69 1.62 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.87 3.30 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 115 L 8.39 4.68 0.00 1.60 1.51 0.71 1.03 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 0.00 116 N 8.00 4.98 0.00 3.01 2.91 0.00 0.00 7.28 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 0.00 117 A 8.58 4.35 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 0.00 118 D 7.67 4.33 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 7.47 4.72 0.00 2.91 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 0.00 120 T 8.14 4.52 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 1.13 0.00 0.00 121 V 8.23 5.00 2.32 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 0.73 0.00 0.00 1.05 0.00 0.00 122 Y 9.13 5.01 0.00 3.13 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 9.09 4.81 0.00 2.80 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 0.00 124 L 7.53 4.83 0.00 1.84 1.39 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 125 E 9.02 4.86 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 126 R 8.85 5.02 0.00 1.61 1.67 0.00 3.13 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 127 L 8.71 4.80 0.00 1.75 1.59 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.67 5.25 0.00 1.70 1.84 0.00 3.34 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 129 F 9.16 5.30 0.00 2.88 2.88 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 0.00 0.00 0.00 130 V 8.83 4.65 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 0.94 0.00 0.00 0.92 0.00 0.00 131 D 9.55 4.22 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.22 4.73 0.00 2.76 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 0.00 133 D 8.36 4.94 0.00 2.64 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 0.00 0.00 0.00 134 V 8.44 3.27 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.42 0.00 0.00 135 L 8.58 4.51 0.00 1.73 1.75 0.88 0.62 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 0.00 136 C 7.27 4.95 0.00 2.58 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 0.00 137 I 7.68 4.55 1.68 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 1.17 0.71 0.00 0.00 138 E 8.82 4.76 0.00 1.78 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 139 Y 9.17 4.99 0.00 2.97 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 0.00 140 S 8.89 5.06 0.00 3.54 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 0.00 141 Y 8.81 5.20 0.00 2.91 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 0.00 142 Y 9.10 5.37 0.00 3.16 3.08 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 0.00 143 H 9.55 4.86 0.00 3.33 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.88 4.06 0.00 1.49 1.75 0.00 1.47 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.50 7.81 145 E 8.37 3.93 0.00 1.97 1.74 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 2.30 2.38 0.00 146 I 7.56 3.79 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.80 0.00 0.00 147 V 7.81 3.72 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 0.75 0.00 0.00 1.19 0.00 0.00 148 K 9.76 4.58 0.00 1.99 2.09 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.47 1.54 7.81 149 Y 7.25 4.80 0.00 2.98 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.04 4.19 0.00 0.27 0.67 0.61 0.31 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 0.00 151 N 6.87 4.03 0.00 2.62 2.56 0.00 0.00 5.74 8.07 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 0.00 152 D 7.75 3.75 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 7.73 4.37 0.00 2.57 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 0.00 154 I 8.35 3.59 1.29 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.02 0.00 0.00 155 A 7.19 3.86 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 0.00 156 K 7.72 4.09 0.00 1.81 1.84 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.60 7.81 157 G 7.75 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.49 4.43 0.00 3.96 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 0.00 159 I 8.27 3.67 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.30 0.71 0.00 0.00 160 F 8.31 3.99 0.00 3.18 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 0.00 161 D 8.46 4.50 0.00 2.84 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 0.00 162 Y 7.94 4.28 0.00 2.97 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 0.00 163 L 8.35 3.69 0.00 1.74 1.33 0.94 0.91 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 0.00 164 E 7.94 3.85 0.00 1.94 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 2.18 1.86 0.00 165 S 8.18 4.15 0.00 3.78 3.88 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 0.00 0.00 0.00 166 N 7.91 4.36 0.00 2.11 2.42 0.00 0.00 7.11 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 0.00 167 M 7.09 3.61 0.00 1.80 1.94 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 1.72 0.00 168 K 6.89 4.24 0.00 1.73 1.80 0.00 1.59 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.48 7.81 169 L 7.84 3.98 0.00 1.29 1.39 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 170 R 8.29 4.21 0.00 1.87 1.89 0.00 3.33 0.00 0.00 3.32 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 171 I 8.12 4.32 1.97 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.38 1.44 0.00 0.00 172 G 9.55 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 0.00 173 F 7.61 5.44 0.00 3.16 3.15 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 0.00 174 S 8.73 5.14 0.00 3.47 3.64 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 0.00 175 D 8.95 4.90 0.00 2.90 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 0.00 176 I 8.07 4.88 1.79 0.00 0.00 1.00 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 0.50 0.61 0.00 0.00 177 F 9.28 4.93 0.00 2.87 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 0.00 178 F 8.19 5.73 0.00 3.19 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 0.00 179 N 9.28 5.12 0.00 2.87 2.93 0.00 0.00 6.83 7.80 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 0.00 180 V 8.28 4.73 2.13 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 0.87 0.00 0.00 1.02 0.00 0.00 181 D 8.66 4.68 0.00 2.80 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 0.00 182 K 8.45 4.83 0.00 1.68 1.83 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.46 7.81 183 L 8.52 4.54 0.00 1.62 1.60 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 184 T 9.42 4.46 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 185 S 8.88 4.64 0.00 3.90 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 0.00 186 S 8.02 4.22 0.00 4.13 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 0.00 187 E 8.18 3.96 0.00 2.16 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 0.00 188 A 8.00 4.01 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 0.00 189 S 7.99 4.12 0.00 4.13 4.02 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 0.00 190 L 8.07 4.07 0.00 1.79 1.74 1.00 0.88 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 0.00 191 L 7.76 4.44 0.00 1.66 1.78 1.03 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 192 Q 7.45 3.16 0.00 2.26 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 193 L 8.68 4.93 0.00 1.62 1.84 0.98 0.61 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 0.00 194 S 9.36 4.65 0.00 3.84 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 0.00 195 T 8.25 4.09 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 0.00 196 G 8.75 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 0.00 0.00 0.00 197 E 7.85 4.13 0.00 1.89 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 2.28 2.51 0.00 198 P 0.00 4.91 0.00 1.33 1.79 0.00 2.50 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.82 0.00 199 C 8.80 4.82 0.00 3.25 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 0.00 200 L 8.42 5.26 0.00 1.93 1.88 1.09 0.40 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 0.00 201 R 9.34 5.20 0.00 2.13 1.99 0.00 3.38 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 202 Y 9.36 5.42 0.00 3.36 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 0.00 203 H 9.63 5.54 0.00 3.33 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 Q 8.86 4.92 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 1.31 2.14 0.00 205 T 8.69 4.92 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 206 F 8.68 4.71 0.00 1.71 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 0.00 207 Y 8.79 5.17 0.00 1.43 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 0.00 0.00 0.00 0.00 208 T 9.17 4.71 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 1.24 0.00 0.00 209 M 8.69 4.38 0.00 2.16 2.24 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 2.78 2.61 0.00 210 T 8.13 4.42 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 211 G 8.38 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 0.00 0.00 0.00 212 K 8.13 4.48 0.00 2.01 1.89 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.48 7.81 213 P 0.00 4.35 0.00 2.01 1.66 0.00 3.86 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 214 F 8.47 5.11 0.00 3.24 3.33 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 0.00 215 D 7.26 4.85 0.00 2.53 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 0.00 0.00 0.00 216 S 9.00 5.07 0.00 3.89 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 0.00 217 S 9.16 5.35 0.00 3.85 3.73 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 0.00 218 D 9.34 5.54 0.00 2.82 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 0.00 219 I 9.44 4.93 1.80 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 0.98 0.81 -0.05 0.00 0.00 220 V 8.30 4.88 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 1.09 0.00 0.00 1.10 0.00 0.00 221 F 9.20 5.02 0.00 3.25 3.04 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 0.00 222 H 9.35 4.74 0.00 3.21 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 Y 8.98 4.34 0.00 3.16 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 0.00 224 R 7.17 3.91 0.00 1.57 1.77 0.00 2.89 0.00 0.00 3.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.74 0.00 225 H 8.24 4.45 0.00 3.09 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 A 7.73 4.25 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 0.00 227 Q 7.70 4.58 0.00 1.73 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 228 F 8.82 5.29 0.00 2.71 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 0.00 229 Y 8.91 5.01 0.00 3.00 2.75 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 0.00 230 I 7.18 4.22 1.55 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.49 0.21 0.00 0.00 231 P 0.00 4.36 0.00 2.09 2.11 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 232 S 8.01 4.53 0.00 3.77 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 K 8.16 4.12 0.00 1.77 1.68 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.