NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4956 8.3049 118.1974 54.7278 32.2463 174.9193 2 L 3.8067 7.8586 121.2213 58.0063 42.3821 176.0861 3 A 4.3438 7.0518 118.1458 51.3473 22.5983 175.3237 4 D 4.6952 8.3877 118.5909 52.9209 41.0069 175.6023 5 K 4.0219 8.8853 117.5477 60.4662 32.1963 178.4348 6 E 4.4307 7.9471 118.8921 55.8168 27.1831 175.9033 7 S 4.4945 7.8872 113.3484 59.5557 65.9156 176.2545 8 L 4.4699 7.7420 119.2809 54.6491 41.1917 177.6752 9 I 3.9843 6.9986 119.5860 62.7519 38.0872 176.0659 10 E 4.2394 7.9472 122.4261 56.7385 30.1843 177.5672 11 A 4.3283 7.9548 120.3251 54.6813 19.4647 178.6927 12 L 4.6595 6.9972 116.6850 51.2037 41.8411 175.7239 13 K 4.4253 7.4851 117.1010 54.3789 33.8423 172.4298 14 L 4.1901 7.8190 117.9104 54.0566 45.2761 172.6531 15 A 4.4994 8.3542 127.1885 52.9919 25.5849 175.8684 16 L 4.3265 7.7712 116.2999 54.7369 41.8883 175.8322 17 S 4.4396 7.6978 122.8296 58.5490 65.7358 174.2619 18 T 4.5070 7.9533 104.1775 62.2600 70.4740 175.2002 19 E 3.8012 8.9493 125.3562 58.5441 32.0388 178.1774 20 Y 4.1244 8.4138 115.6799 59.5174 37.6114 177.4530 21 N 4.9848 5.7700 130.9435 53.9371 39.6357 173.5824 22 V 4.4897 7.9764 115.4080 61.1589 34.8600 176.3157 23 K 4.3190 8.3103 126.7363 55.2539 30.7904 178.2811 24 R 4.2436 7.4435 121.1668 55.8447 31.8638 175.9569 25 N 4.5631 8.8287 115.7917 56.4565 38.9663 175.2458 26 F 5.0997 7.3684 110.1492 54.5223 40.8224 174.9021 27 T 3.9536 8.4532 118.5738 64.0626 69.2758 175.1355 28 Q 4.5195 8.1238 125.4032 55.5734 30.6572 173.2368 29 S 5.0187 8.2795 117.4555 58.0204 65.4201 173.0725 30 V 4.4435 7.8562 119.7624 61.8995 34.6382 175.5059 31 E 4.6382 8.3861 123.2726 54.5187 32.5152 175.2425 32 I 4.5770 7.9732 120.4413 59.6443 40.8398 173.6752 33 I 4.8161 8.3657 129.3333 59.7053 40.7799 174.9641 34 L 5.1503 8.4017 126.3021 53.2041 45.1607 175.2728 35 T 4.7564 8.1759 109.1021 60.1936 70.9360 174.0138 36 F 4.9352 8.7051 125.8410 56.3256 41.4424 175.7549 37 K 4.3733 8.9667 120.4082 55.9048 32.6790 176.2700 38 G 3.9794 9.9402 114.5333 44.4056 0.0000 170.2190 39 I 4.2043 7.5562 118.4460 60.6312 40.7104 173.3909 40 D 4.3690 8.3706 123.1951 53.6658 43.5490 175.7234 *42 K 4.3455 8.5790 122.3156 56.2287 34.3682 176.3655 43 K 4.5226 8.0919 116.8545 55.1879 34.4125 175.7198 44 G 3.8171 8.2399 104.3828 45.0474 0.0000 172.7069 45 D 4.9466 8.7329 116.6278 52.3105 41.8265 177.2139 46 L 4.5779 7.6675 122.1287 53.4407 41.6017 177.5276 47 K 3.6250 8.5776 109.6897 56.7808 28.4594 172.6401 48 L 4.2980 7.9500 120.9163 53.8232 41.4122 176.0018 49 R 4.4631 8.1827 126.3365 53.8481 30.0824 173.8626 50 E 4.7301 8.2907 121.7209 54.2306 32.6224 176.7618 51 I 4.4846 8.0791 121.4600 59.9025 36.1054 175.0460 52 V 4.4412 7.9110 124.1823 60.0506 31.5972 174.2967 53 P 4.3184 0.0000 0.0000 61.1302 33.1551 175.1793 54 L 4.7320 7.8441 117.6125 52.9114 44.3933 174.0471 55 P 4.1514 0.0000 0.0000 65.0446 31.8208 176.9916 56 K 3.8942 7.8079 120.5528 57.0665 32.9986 176.7440 57 Q 4.5228 8.2439 121.7688 54.0209 30.1005 173.9816 58 P 5.1395 0.0000 0.0000 62.0613 30.6103 177.8671 59 S 4.6557 8.2553 123.7556 57.8798 64.4245 174.0106 60 K 3.9772 8.6756 120.6337 57.3829 31.0694 176.7713 61 A 4.1239 8.2947 129.3514 52.3055 18.4042 178.5875 62 K 4.3613 8.4489 117.3586 53.9104 34.2456 176.2178 63 R 4.7006 8.2296 120.1026 54.8109 33.3662 174.5358 64 V 4.5821 7.9924 120.1269 59.7096 34.8903 174.0192 65 L 4.7606 7.8982 125.2940 53.1247 44.3971 175.5325 66 V 4.4462 8.0208 123.1694 61.1406 34.6858 174.5040 67 V 4.6164 8.2177 126.0588 61.6154 30.9721 173.4073 68 P 4.5186 0.0000 0.0000 62.1388 30.8866 179.3205 69 S 4.4775 8.7335 115.4261 58.5609 66.0854 176.2634 70 S 4.5459 8.8738 112.1665 59.3352 62.8588 175.2926 71 E 4.6169 7.7877 117.5817 56.7549 29.6980 175.9459 72 Q 4.6448 7.5950 117.5281 55.5984 29.9483 176.3828 73 L 4.2274 7.6332 120.4549 57.3314 42.9304 178.2665 74 E 3.9617 8.0270 120.3866 59.6437 29.8265 177.6063 75 Y 4.4377 7.9798 114.0216 58.1211 37.6502 175.0741 76 A 4.8924 8.1193 121.8441 52.0421 19.9897 177.6704 77 K 4.6256 8.0147 114.7256 57.8331 34.8626 177.7513 78 K 4.6632 8.0409 118.5531 55.0326 30.7743 176.5833 79 A 4.2534 7.9481 119.3438 51.4946 23.3855 176.5037 80 S 3.6772 7.9842 110.0919 58.6085 62.4802 170.3645 81 P 4.1867 0.0000 0.0000 64.1901 30.6944 177.2281 82 K 4.4160 7.7351 122.4892 56.5777 34.2716 175.5054 83 V 4.5414 7.0345 115.3098 60.5601 34.8118 172.2025 84 V 4.7087 8.3768 122.5450 61.5754 34.4274 174.7053 85 I 4.8981 7.8773 128.1432 59.9730 39.9067 174.5888 86 T 4.8341 8.3853 113.9904 61.6325 68.9303 172.2120 87 R 4.3201 7.3497 115.5354 57.8210 32.1733 177.7762 88 E 4.0999 8.1719 119.2149 59.7855 30.4360 179.0661 89 E 4.3324 7.8724 116.7800 54.9689 28.3195 179.2827 90 L 4.4909 7.1334 118.5934 54.9221 43.3489 174.1297 91 Q 4.5972 8.0690 125.0237 55.1113 30.4257 175.9632 92 K 4.2665 8.2719 120.4981 57.5419 32.8464 176.2599 93 L 4.6968 7.6241 117.9879 54.4199 42.0380 177.1877 94 Q 4.5899 7.8024 116.2363 55.7077 29.5780 174.5931 95 G 4.0492 8.2512 103.9370 46.8014 0.0000 174.6419 96 Q 4.4809 7.8219 124.1265 55.2226 28.5430 174.6605 97 K 4.4873 7.9666 117.0770 58.7365 35.9665 178.2759 98 R 4.0056 8.2727 120.2868 59.2318 30.9679 177.0358 99 P 4.2601 0.0000 0.0000 64.9716 31.2056 177.5782 100 V 3.6849 7.4835 116.8853 65.3123 32.1167 176.3451 101 K 4.6116 8.0047 121.5403 55.3216 30.7094 177.0185 102 K 4.6962 7.5738 113.0837 55.9702 35.5759 177.0248 103 L 4.8815 7.3957 118.7351 53.6234 42.5586 176.5211 104 A 4.7909 7.8633 119.7536 53.3214 25.5297 178.6545 105 R 4.0935 8.2814 116.0367 58.7687 30.5410 177.3746 106 Q 4.6152 7.7611 114.7197 55.6183 28.8191 176.4871 107 N 4.6657 7.7019 115.3635 51.9898 40.7827 174.5854 108 E 3.8920 8.0445 123.4828 57.8825 29.4872 177.9512 109 W 4.1644 8.7221 115.6774 56.5762 30.7534 175.3273 110 F 4.8646 8.7743 119.0388 56.1077 41.2971 175.1706 111 L 5.0623 8.3668 121.5973 54.3485 43.1287 176.9196 112 I 3.8380 8.3471 119.2827 61.5885 37.5077 176.1164 113 N 4.5128 8.7281 122.0092 53.2617 38.9425 175.7359 114 Q 4.2604 8.6949 121.3719 57.8263 29.3093 176.3569 115 E 4.7452 7.4268 115.3252 55.8573 30.0397 176.5380 116 S 4.3363 7.7598 111.7585 59.0740 66.9720 175.0386 *118 A 4.3870 8.6045 127.9093 52.1623 20.0653 178.2242 119 L 4.0738 7.9445 115.0411 57.5111 42.4696 177.2894 120 A 4.6772 7.8936 116.3038 52.2341 22.8032 177.5432 121 G 3.7602 7.6916 106.3207 47.6265 0.0000 174.9983 122 R 4.1433 8.3058 120.2012 56.9316 30.9071 177.4515 123 I 4.3037 7.5757 118.6965 62.6747 38.3586 176.8225 124 L 4.9014 7.8796 118.3794 54.3155 44.9970 176.4506 125 G 3.8950 8.7475 108.5321 45.0215 0.0000 174.1011 126 P 4.5078 0.0000 0.0000 63.7503 31.5610 177.4398 127 A 4.1488 7.7416 121.2338 54.4751 18.9952 178.3037 128 L 4.2889 8.1382 117.5548 53.9893 39.4842 177.7747 129 G 3.6886 8.3739 111.3921 48.0366 0.0000 170.7856 130 P 4.3748 0.0000 0.0000 65.2792 31.3739 178.0652 131 R 3.8400 8.0559 117.4011 56.4204 30.6677 176.6799 132 G 3.8498 7.9149 105.4480 46.4196 0.0000 172.4288 133 K 4.0732 6.9605 118.7523 54.7473 35.5672 175.5612 134 F 4.3938 6.4383 113.9234 55.6763 39.9953 171.2761 135 P 4.7800 0.0000 0.0000 61.6496 32.4765 175.2396 136 T 4.8816 8.3215 110.8623 58.8767 71.8143 173.3566 137 P 4.6024 0.0000 0.0000 62.7098 32.2546 174.8464 138 L 4.2402 7.8527 116.2578 52.4675 45.6122 173.8375 139 P 4.2866 0.0000 0.0000 62.7740 31.8587 177.5083 140 N 4.6989 8.1168 118.1472 51.9792 37.0446 174.5186 141 T 4.5906 7.3637 110.2552 59.5252 72.1980 175.4394 142 A 4.3369 8.5647 124.3375 53.0803 18.3985 177.0114 143 D 4.7382 7.7010 116.4562 52.5963 43.9480 175.6714 144 I 4.4435 8.0411 123.4002 60.3884 38.9522 174.1172 145 S 4.9794 8.1118 121.2550 58.6834 70.0800 177.1245 146 E 4.0262 8.1858 120.3933 59.3744 29.1962 178.2262 147 Y 4.2265 8.0502 118.4514 60.4166 38.5837 177.6564 148 I 3.8495 7.8039 121.1222 64.4091 35.8977 178.1001 149 N 4.3701 7.9559 116.8783 55.7725 38.5976 176.0701 150 R 4.4766 7.8322 119.1797 56.0542 30.9552 176.2130 151 F 4.6558 7.4393 116.8242 59.0383 45.0799 175.2577 152 K 3.9532 7.9283 120.1195 59.2718 31.9139 179.2789 153 R 3.9092 6.9591 112.7981 57.8263 29.6805 176.5656 154 S 4.0596 6.5841 114.9330 58.5525 64.2694 173.2473 155 V 4.9339 7.6025 113.2458 60.3257 34.7187 175.1470 156 L 4.7790 9.2943 127.2370 53.3720 44.6836 176.3779 157 V 4.2703 8.1773 124.1109 60.0112 31.3313 174.7984 158 K 4.0651 8.2539 124.3407 56.7332 33.0968 177.1861 159 T 4.5284 8.1279 111.5000 60.7952 71.8627 171.6956 160 K 4.2157 8.6984 130.9231 56.4033 38.5640 176.4022 161 D 4.6304 8.8266 111.1050 52.6158 40.2778 176.6286 162 Q 4.5194 7.8284 117.2429 54.2936 32.3038 175.7814 163 P 4.1627 0.0000 0.0000 60.4263 29.2472 174.3322 164 Q 4.0332 6.3917 117.1494 55.9351 31.0988 176.4360 165 V 4.0116 8.4934 124.6545 62.2871 29.6523 173.4140 166 Q 4.5330 8.0586 120.1570 55.0848 29.3068 176.4000 167 V 4.3636 8.1780 124.7136 59.8155 31.5275 174.5431 168 F 4.1187 8.3687 124.9943 58.2657 40.0832 174.4360 169 I 4.8300 7.8246 121.1461 59.5858 42.7174 176.2463 170 G 4.6795 6.6061 107.9982 46.1279 0.0000 174.8138 171 T 4.3436 7.8966 119.6172 60.2494 69.3267 175.6209 172 E 4.8659 8.5013 105.9853 55.5055 30.3357 175.6203 173 D 4.4465 8.0217 119.5953 55.6451 42.2555 177.2174 *175 K 4.1263 7.7426 119.4416 55.5295 32.5695 174.4431 176 P 4.2419 0.0000 0.0000 65.6351 32.0776 177.7999 177 E 4.2284 8.1165 114.7138 57.3782 29.3612 177.3697 178 D 4.7912 8.5274 118.5671 55.1400 39.1134 176.6237 179 L 4.6277 7.7170 118.9446 55.0549 41.7407 179.1188 180 A 4.2100 7.6919 124.4907 55.3018 18.3066 178.6856 181 E 4.7081 7.5515 111.8558 55.7953 35.6121 177.0022 182 N 4.3498 8.2833 116.9681 57.2130 37.7723 176.4790 183 A 4.0084 7.9687 121.4413 54.8276 18.5836 178.8161 184 I 3.7717 7.5050 115.7173 62.4134 37.1260 176.7055 185 A 4.7430 7.8829 121.9202 52.4976 20.3740 177.2388 186 V 4.2382 7.9149 117.8707 65.6594 33.9971 176.8069 187 L 4.2293 7.5722 118.7308 57.8198 42.5341 179.5114 188 N 4.3060 8.2114 114.7458 56.3144 38.0326 176.5352 189 A 4.0635 7.8914 119.8642 55.2678 18.4406 177.4821 190 I 4.0890 7.0919 119.6643 62.2780 35.5074 175.0506 191 E 4.7003 8.2762 122.9494 56.4852 34.8806 175.2325 192 N 4.9411 7.7019 112.8475 53.2830 39.0734 173.7395 193 K 4.2917 7.7456 114.9830 57.5713 34.0785 176.9198 194 A 4.3112 7.8293 119.7171 52.1372 19.1046 177.5849 195 K 4.5176 8.1897 117.5207 54.5048 32.0517 175.9258 196 V 4.5690 7.3833 114.7892 60.2521 36.2431 173.0165 197 E 4.8176 8.3830 122.2622 57.1155 35.6474 174.5921 198 T 4.4642 7.2295 105.9080 61.6343 71.4262 172.8586 199 N 4.0899 8.9228 117.7757 53.6581 36.3199 173.9044 200 L 3.9678 7.5379 119.3659 54.6589 42.9657 177.8297 201 R 4.1225 7.5720 120.8548 56.0257 30.3047 176.0547 202 N 4.5534 8.6906 115.8506 54.4455 39.1109 173.9611 203 I 4.7964 7.9562 119.5789 59.9697 39.5261 174.9469 204 Y 4.9153 8.8469 122.9434 56.5820 41.9906 174.8200 205 V 4.7536 8.0998 113.0263 60.6260 36.8919 173.5481 206 K 4.8939 8.1719 120.1313 57.0887 35.1216 173.8806 207 T 4.4567 7.7025 111.5138 60.8883 70.3701 175.0833 208 T 4.8426 7.2626 114.2938 65.7602 68.3309 176.0026 *210 G 4.2517 7.3590 108.2150 44.2210 0.0000 175.6132 211 K 4.6338 7.1377 121.2024 54.3216 35.8397 174.9111 212 A 4.8899 8.4082 120.3449 51.4575 22.1557 176.8646 213 V 4.7294 8.0561 120.8752 61.8606 34.4414 174.2605 214 K 4.6319 8.5143 116.9777 55.8258 36.6164 175.3366 215 V 4.6258 7.7851 120.2987 61.7110 33.8864 173.7550 216 K 4.5684 8.0693 116.3601 55.2674 36.2710 176.0070 217 R 4.0881 8.3667 118.9407 56.7630 30.0352 175.8826 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 1 M 8.30 4.50 0.00 2.52 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 L 7.86 3.81 0.00 1.76 1.81 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.05 4.34 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.39 4.70 0.00 2.78 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 5 K 8.89 4.02 0.00 1.77 1.94 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.49 7.81 6 E 7.95 4.43 0.00 2.07 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 0.00 2.34 2.29 0.00 7 S 7.89 4.49 0.00 3.92 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 8 L 7.74 4.47 0.00 1.66 1.72 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.00 3.98 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 1.30 0.51 0.90 0.00 0.00 10 E 7.95 4.24 0.00 1.92 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 2.27 2.30 0.00 11 A 7.95 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.00 4.66 0.00 1.58 1.55 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.49 4.43 0.00 1.63 1.76 0.00 1.79 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.16 1.24 7.81 14 L 7.82 4.19 0.00 1.53 1.46 0.71 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.35 4.50 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 16 L 7.77 4.33 0.00 1.57 1.60 0.89 0.78 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 17 S 7.70 4.44 0.00 3.76 3.22 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 18 T 7.95 4.51 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 1.23 0.00 0.00 19 E 8.95 3.80 0.00 1.94 2.03 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 2.21 2.30 0.00 20 Y 8.41 4.12 0.00 2.86 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 21 N 5.77 4.98 0.00 2.79 2.67 0.00 0.00 6.98 7.59 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 22 V 7.98 4.49 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 0.87 0.00 0.00 0.92 0.00 0.00 23 K 8.31 4.32 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 24 R 7.44 4.24 0.00 1.53 1.75 0.00 3.28 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.00 25 N 8.83 4.56 0.00 2.97 3.02 0.00 0.00 6.54 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 26 F 7.37 5.10 0.00 3.14 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 27 T 8.45 3.95 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 28 Q 8.12 4.52 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 29 S 8.28 5.02 0.00 3.76 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 106 Q 7.76 4.62 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 107 N 7.70 4.67 0.00 2.42 2.33 0.00 0.00 7.12 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 0.00 108 E 8.04 3.89 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 109 W 8.72 4.16 0.00 3.28 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 0.00 110 F 8.77 4.86 0.00 3.03 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.37 5.06 0.00 1.67 1.69 1.04 0.57 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 0.00 112 I 8.35 3.84 2.01 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 1.62 0.78 1.06 0.00 0.00 113 N 8.73 4.51 0.00 2.86 2.76 0.00 0.00 6.78 7.69 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 0.00 114 Q 8.69 4.26 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.54 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 115 E 7.43 4.75 0.00 2.07 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 2.23 2.39 0.00 116 S 7.76 4.34 0.00 3.88 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 *118 A 8.60 4.39 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 0.00 119 L 7.94 4.07 0.00 1.62 1.74 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.89 4.68 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 0.00 121 G 7.69 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 0.00 0.00 0.00 122 R 8.31 4.14 0.00 1.82 1.99 0.00 3.19 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 123 I 7.58 4.30 1.90 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 1.43 0.62 0.98 0.00 0.00 124 L 7.88 4.90 0.00 1.70 1.82 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.75 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.51 0.00 2.18 2.21 0.00 3.51 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 127 A 7.74 4.15 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 0.00 128 L 8.14 4.29 0.00 1.67 1.64 1.07 0.72 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 0.00 129 G 8.37 3.69 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 0.00 0.00 0.00 130 P 0.00 4.37 0.00 2.18 2.19 0.00 3.69 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 1.99 1.99 0.00 131 R 8.06 3.84 0.00 1.81 2.03 0.00 3.37 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 132 G 7.91 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 0.00 0.00 0.00 133 K 6.96 4.07 0.00 1.56 1.15 0.00 1.94 0.00 0.00 2.44 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.31 7.81 134 F 6.44 4.39 0.00 2.94 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 0.00 135 P 0.00 4.78 0.00 2.26 2.09 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 136 T 8.32 4.88 4.56 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 0.00 0.00 0.00 1.57 0.00 0.00 137 P 0.00 4.60 0.00 2.20 2.18 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 138 L 7.85 4.24 0.00 1.39 1.16 0.91 1.17 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 0.00 139 P 0.00 4.29 0.00 1.77 1.81 0.00 2.77 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 140 N 8.12 4.70 0.00 2.66 2.73 0.00 0.00 6.63 7.54 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 0.00 141 T 7.36 4.59 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 1.15 0.00 0.00 142 A 8.56 4.34 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 0.00 143 D 7.70 4.74 0.00 2.49 2.40 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 0.00 144 I 8.04 4.44 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.95 0.00 0.00 145 S 8.11 4.98 0.00 3.89 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 0.00 146 E 8.19 4.03 0.00 2.11 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 2.41 2.48 0.00 147 Y 8.05 4.23 0.00 2.84 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 0.00 148 I 7.80 3.85 2.02 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 1.57 0.94 0.92 0.00 0.00 149 N 7.96 4.37 0.00 3.11 2.84 0.00 0.00 6.75 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 0.00 150 R 7.83 4.48 0.00 1.83 1.89 0.00 3.39 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 151 F 7.44 4.66 0.00 2.77 2.81 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 0.00 152 K 7.93 3.95 0.00 1.78 1.73 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.65 7.81 153 R 6.96 3.91 0.00 1.97 1.98 0.00 3.17 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.44 0.00 154 S 6.58 4.06 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 0.00 155 V 7.60 4.93 2.43 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 0.94 0.00 0.00 1.12 0.00 0.00 156 L 9.29 4.78 0.00 0.40 1.06 0.63 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.18 4.27 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 1.04 0.00 0.00 1.11 0.00 0.00 158 K 8.25 4.07 0.00 1.89 1.75 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.36 7.81 159 T 8.13 4.53 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 1.24 0.00 0.00 160 K 8.70 4.22 0.00 1.67 1.41 0.00 2.00 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.34 7.81 161 D 8.83 4.63 0.00 2.76 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 0.00 162 Q 7.83 4.52 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.58 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 163 P 0.00 4.16 0.00 2.06 2.16 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 164 Q 6.39 4.03 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.53 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 165 V 8.49 4.01 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 0.89 0.00 0.00 1.27 0.00 0.00 166 Q 8.06 4.53 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 167 V 8.18 4.36 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 1.06 0.00 0.00 168 F 8.37 4.12 0.00 3.10 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 0.00 169 I 7.82 4.83 1.87 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 1.35 0.80 0.81 0.00 0.00 170 G 6.61 4.68 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 0.00 0.00 0.00 171 T 7.90 4.34 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 172 E 8.50 4.87 0.00 1.98 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 2.08 2.42 0.00 173 D 8.02 4.45 0.00 2.75 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 *175 K 7.74 4.13 0.00 2.08 1.85 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.53 7.81 176 P 0.00 4.24 0.00 2.01 2.13 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 177 E 8.12 4.23 0.00 2.06 1.96 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 2.39 2.38 0.00 178 D 8.53 4.79 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.72 4.63 0.00 1.69 1.66 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 180 A 7.69 4.21 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 0.00 181 E 7.55 4.71 0.00 1.94 1.87 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 2.18 2.20 0.00 182 N 8.28 4.35 0.00 2.80 2.79 0.00 0.00 7.10 8.14 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 0.00 183 A 7.97 4.01 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 0.00 184 I 7.50 3.77 2.01 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 1.46 1.40 0.92 0.00 0.00 185 A 7.88 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 186 V 7.91 4.24 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 0.95 0.00 0.00 1.04 0.00 0.00 187 L 7.57 4.23 0.00 1.91 1.72 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 188 N 8.21 4.31 0.00 2.87 2.91 0.00 0.00 6.84 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 0.00 189 A 7.89 4.06 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 0.00 190 I 7.09 4.09 2.02 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 1.24 0.82 0.95 0.00 0.00 191 E 8.28 4.70 0.00 1.90 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 2.21 2.29 0.00 192 N 7.70 4.94 0.00 2.67 2.76 0.00 0.00 6.84 6.56 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 0.00 193 K 7.75 4.29 0.00 1.70 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.49 7.81 194 A 7.83 4.31 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 0.00 195 K 8.19 4.52 0.00 1.69 1.73 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.48 7.81 196 V 7.38 4.57 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 0.67 0.00 0.00 0.94 0.00 0.00 197 E 8.38 4.82 0.00 1.84 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 2.13 2.28 0.00 198 T 7.23 4.46 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 1.20 0.00 0.00 199 N 8.92 4.09 0.00 2.96 2.99 0.00 0.00 5.85 7.79 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 0.00 200 L 7.54 3.97 0.00 1.50 1.50 0.75 -0.15 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 0.00 201 R 7.57 4.12 0.00 1.57 1.95 0.00 3.34 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 202 N 8.69 4.55 0.00 3.01 2.66 0.00 0.00 6.58 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 0.00 203 I 7.96 4.80 1.85 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 1.41 0.63 0.96 0.00 0.00 204 Y 8.85 4.92 0.00 2.93 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 0.00 205 V 8.10 4.75 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 206 K 8.17 4.89 0.00 1.91 1.82 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.40 7.81 207 T 7.70 4.46 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 1.31 0.00 0.00 208 T 7.26 4.84 4.40 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 1.31 0.00 0.00 *210 G 7.36 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 0.00 0.00 0.00 0.00 211 K 7.14 4.63 0.00 1.74 1.67 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.27 7.81 212 A 8.41 4.89 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 0.00 213 V 8.06 4.73 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 0.85 0.00 0.00 1.00 0.00 0.00 214 K 8.51 4.63 0.00 1.58 1.53 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.45 7.81 215 V 7.79 4.63 2.03 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 0.84 0.00 0.00 0.95 0.00 0.00 216 K 8.07 4.57 0.00 1.70 1.63 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.39 7.81 217 R 8.37 4.09 0.00 1.74 1.78 0.00 3.25 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.