NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7352 8.2785 117.7929 52.4352 38.8971 175.9479 0 A 4.1348 8.7412 117.4817 55.1537 18.3978 177.8793 2 S 3.3544 8.6000 111.8103 62.0636 64.5724 172.2106 3 L 4.0260 7.6934 123.9895 58.0377 41.7762 178.6882 4 L 4.0862 8.0116 120.1151 58.0925 41.9468 178.8388 5 A 4.0141 7.9665 120.2935 55.0801 18.3651 179.3477 6 R 3.8520 8.1275 117.2511 59.6396 30.1648 178.5433 7 L 4.1014 8.4797 120.4998 58.1134 42.0906 178.7072 8 E 4.4272 9.0407 119.0210 59.6393 29.4803 179.3380 9 Q 4.0285 8.4116 118.1177 59.1541 28.8130 178.8041 10 S 4.1095 8.4722 114.4949 61.3521 62.3011 176.3864 11 V 3.3427 7.9834 121.0150 66.1516 30.9915 177.4841 12 H 4.0841 8.0299 116.8226 59.3274 29.7706 176.6866 13 E 4.1254 8.2027 119.2388 58.3038 29.5769 177.7844 14 N 4.7539 8.4642 114.2244 51.6440 40.5090 176.0585 15 G 3.9136 7.8410 106.3572 45.6462 0.0000 174.3946 16 G 3.5484 7.9973 109.2168 44.3638 0.0000 170.2613 17 L 5.0734 7.6847 124.9166 53.5676 45.1452 174.5799 18 I 4.8913 8.6984 127.3685 59.4265 40.4137 174.5790 19 V 4.7646 8.2569 126.2232 61.1397 33.4949 174.1858 20 S 4.7842 9.0320 123.8463 57.5207 63.2699 173.7284 21 C 4.7233 8.4953 128.9976 58.5042 25.8388 173.6369 22 Q 4.3660 7.7403 116.7774 52.8816 29.8302 174.0258 23 P 4.5764 0.0000 0.0000 61.4319 32.6014 176.7550 24 V 3.5927 8.1062 118.8325 62.0484 31.7673 173.4990 25 P 4.6021 0.0000 0.0000 64.2958 31.5073 176.7378 26 G 3.9443 9.1913 110.7953 45.3113 0.0000 173.8741 27 S 4.2625 7.6585 113.8578 57.5999 62.8446 173.2925 28 P 4.2928 0.0000 0.0000 62.3271 30.8338 176.9158 *30 D 4.4516 7.8655 115.0323 54.0308 41.6596 174.4325 31 K 4.7004 7.3552 120.2615 52.8801 37.6814 174.9179 32 P 4.6813 0.0000 0.0000 65.3397 31.3616 178.9956 33 E 3.9749 8.1249 116.8701 59.2061 29.1544 179.3027 34 I 3.7708 7.4691 118.8794 64.1055 37.4770 177.7710 35 V 3.7000 7.8622 118.1417 66.1451 31.5726 177.6076 36 A 4.1836 8.3025 120.2650 54.8516 18.1068 179.8201 37 A 3.9079 7.7965 117.9024 52.4124 18.4116 179.4377 *39 A 4.1960 7.9959 125.4810 54.0163 20.9405 180.1765 40 Q 3.9661 8.1743 114.5768 58.9512 28.4774 178.8184 41 A 3.9399 8.0232 120.5320 55.1784 18.7761 179.1889 42 A 4.0546 7.9803 118.4488 55.3847 18.3238 179.5544 43 A 4.1631 8.1084 118.5524 55.1247 18.5188 179.4093 44 S 4.3644 7.9508 110.5251 59.7552 63.3323 174.6728 45 A 4.6488 8.0640 124.6632 51.4074 19.3604 175.5992 46 G 3.4615 8.5136 109.7544 46.8166 0.0000 175.0346 47 A 4.2456 7.7898 124.3646 52.3890 18.5649 177.6723 48 V 3.9992 8.6125 117.1328 63.1758 32.5627 176.0516 49 A 4.6286 7.3800 120.0613 51.2965 22.4979 175.3547 50 V 4.8514 8.2677 111.5823 59.5630 36.2544 174.7781 51 R 4.9890 8.6486 123.3969 54.8553 32.1107 174.8916 52 I 4.8064 8.7900 127.0596 59.4160 40.6509 173.9110 53 E 5.0286 9.0520 126.9317 55.6368 31.6624 176.0443 54 G 4.0774 9.1419 113.3604 46.3668 0.0000 174.6238 55 I 3.7618 8.3055 122.6072 64.0539 37.1241 178.5761 56 E 3.9551 8.1491 118.9569 59.5415 29.3113 179.0306 57 N 4.3247 8.0756 115.7374 56.2036 38.6379 176.9619 58 L 3.9235 7.9153 121.5314 58.3877 41.9887 179.1272 59 R 3.9193 7.9845 116.7148 59.7597 30.0609 178.9441 60 T 4.0407 7.4846 114.6370 66.3963 68.7435 176.8316 61 V 3.7493 7.8798 120.2878 65.7431 31.5276 177.7024 62 R 3.8528 8.1950 118.9791 59.4440 29.6473 176.6976 63 P 4.3482 0.0000 0.0000 64.6682 31.3146 176.7358 64 H 4.8985 7.6323 113.0099 54.9792 29.0697 173.7506 65 L 4.7779 7.6858 121.4543 53.2786 44.2522 176.3284 66 S 4.5909 8.6680 118.7604 58.5432 64.3121 174.4588 67 V 4.2188 7.4087 113.9878 59.5971 33.2114 174.1712 68 P 4.7015 0.0000 0.0000 62.9894 32.8538 175.3613 69 I 4.8647 9.3063 123.7287 59.6478 40.0098 174.7595 70 I 4.5831 9.1395 129.0285 60.4409 38.3080 175.0264 71 G 4.5463 9.3101 115.8501 44.6215 0.0000 172.1016 72 I 5.1535 8.5822 115.6139 59.1294 42.1207 173.8094 73 I 4.8790 8.3372 122.7504 59.4767 40.2291 174.3649 74 K 4.9399 9.2015 129.1698 55.0254 33.1341 175.7037 75 R 4.8445 8.8177 126.2710 54.7388 32.8066 175.4771 76 D 4.8945 8.8320 117.8454 54.0530 43.2295 176.9434 77 L 4.8267 7.8490 117.8976 54.5742 42.3466 177.5391 78 T 4.1391 7.5432 109.8635 62.2371 69.1208 175.5478 79 G 3.9407 8.6996 109.8053 45.4566 0.0000 172.4045 80 S 4.7646 7.7043 112.9763 55.4725 66.1440 172.2651 81 P 4.4092 0.0000 0.0000 63.8467 31.4936 176.6036 82 V 3.9680 7.4003 120.6158 62.8830 32.0620 175.3561 83 R 4.4106 8.5876 125.0534 57.1514 32.3375 175.4813 84 I 4.2241 7.6354 119.4098 61.0716 37.0371 175.3915 85 T 3.4559 8.6742 125.5791 64.0701 65.9391 171.1839 86 P 4.3308 0.0000 0.0000 64.3022 32.3619 177.2488 87 Y 4.9880 7.4464 116.7930 55.9271 41.5028 176.5653 88 L 4.0597 8.5263 122.3120 58.2460 41.8342 179.9775 89 Q 4.2289 8.1339 117.2794 58.6400 28.5829 178.3423 90 D 4.3913 8.0617 120.0223 57.1940 41.0082 178.4529 91 V 3.5815 7.6328 118.3069 66.2016 31.4382 177.6016 92 D 4.2839 8.2875 118.3092 57.5627 40.8393 178.9363 93 A 3.9872 8.1560 121.0245 55.0231 18.3607 179.7028 94 L 3.9487 8.2237 117.5452 57.7083 41.7423 179.6026 95 A 3.9005 8.0203 120.6930 55.3328 18.1685 179.5530 96 Q 3.9406 8.0945 116.4519 58.7699 29.1595 177.4291 97 A 4.4060 7.4549 119.0671 51.7881 19.1015 177.6513 98 G 4.0191 7.8402 105.2095 44.8004 0.0000 174.3002 99 A 4.1167 7.7599 122.6402 52.6261 18.5790 177.6100 100 D 4.7852 8.9214 120.8676 55.3761 43.1668 176.8581 101 I 5.0311 7.6362 118.2267 59.4485 40.7861 174.5546 102 I 4.9234 8.7955 127.2698 59.7690 38.9420 174.6981 103 A 4.8956 8.5055 129.4337 50.7526 20.9495 175.9448 104 F 5.0612 7.8336 113.2294 55.2321 41.5252 172.9452 105 D 4.6736 9.1200 121.4080 54.4468 41.4615 175.9657 106 A 5.0479 8.6837 129.4373 51.6754 19.6413 176.3527 107 S 4.5019 8.7709 113.6223 59.3434 64.7871 174.7500 108 F 4.9933 8.6397 122.5330 57.0364 37.3209 174.9422 109 R 4.8161 7.3522 119.1820 53.6762 34.0598 176.3998 110 S 4.2954 8.5015 115.4553 59.3590 63.3372 174.3797 111 R 4.4876 7.8064 116.7130 54.9800 31.1409 173.1518 112 P 4.4468 0.0000 0.0000 64.7168 31.9242 176.7541 113 V 4.4335 7.3993 117.6761 59.9829 34.5592 175.1680 114 D 4.6786 8.4635 126.4611 53.1270 41.5662 177.5150 115 I 3.7461 8.2725 121.3276 64.6253 37.0895 178.4185 116 D 4.3617 8.1798 119.3037 57.5412 40.6805 178.8996 117 S 4.0898 8.4809 115.5910 61.3740 62.7170 176.7050 118 L 3.7937 7.6288 121.3542 57.6411 41.2608 179.2704 119 L 3.8075 7.6770 120.1492 58.4988 42.0159 178.9570 120 T 3.8292 8.0905 115.8941 66.7850 68.1493 176.4971 121 R 3.8783 7.8055 119.4744 59.3072 30.4219 178.2496 122 I 3.9075 8.0327 120.0044 64.6777 37.0869 178.6992 123 R 3.9912 8.3373 119.0793 59.0652 29.6043 178.8669 124 L 3.9204 7.9169 119.5106 57.8870 42.1039 177.7533 125 H 4.7091 7.8153 113.2623 54.8173 28.9208 175.4483 126 G 3.9228 7.9835 108.8765 46.4436 0.0000 173.8394 127 L 4.7326 7.7105 117.9276 52.4564 44.1341 176.3154 128 L 4.4116 8.0481 119.2731 55.0954 42.8346 176.6360 129 A 5.8722 8.5958 123.2026 49.4584 22.9752 174.4062 *131 A 3.2752 8.4040 116.1366 51.8860 20.3707 176.5390 132 D 4.8573 8.5166 124.0603 54.4297 41.7729 175.8065 133 C 5.1403 8.8938 121.6142 57.9402 31.3534 175.1250 134 S 4.6298 9.2799 114.8527 58.5396 64.6164 174.7628 135 T 4.6931 7.3614 110.3480 58.6852 72.9674 174.5329 136 V 3.5408 8.3012 120.8821 66.5611 31.4595 177.8891 137 N 4.3828 8.1917 115.4226 56.4584 38.3959 177.0867 138 E 3.5975 8.1211 120.0517 59.1431 29.3926 179.6117 139 G 3.5844 7.9881 105.7856 47.7931 0.0000 175.8336 140 I 3.7463 8.1253 122.6258 64.0797 36.9178 178.2663 141 S 4.1897 7.8836 112.7616 61.9685 62.6812 175.9076 142 C 4.3701 8.1605 119.1685 62.9047 27.8297 175.4630 143 H 4.2034 8.5798 120.3036 59.4531 29.2289 177.1445 144 Q 4.0986 8.0259 118.0923 57.8282 28.6680 177.7406 145 K 4.3051 7.7296 117.9354 56.6941 32.3943 177.6923 146 G 3.8629 7.7798 107.4686 45.2419 0.0000 173.6351 147 I 3.8318 7.4323 120.2346 61.0796 37.5655 176.2193 148 E 3.7252 8.7092 125.1032 58.2720 29.5565 177.1583 149 F 5.0094 7.4857 115.5259 55.5554 41.7967 175.1520 150 I 4.3155 8.8109 125.0674 59.6762 39.1194 175.0517 151 G 4.8374 9.1550 115.8277 44.4999 0.0000 173.2947 152 T 4.6329 8.2820 111.3286 61.5789 69.3205 176.5430 153 T 4.0725 7.9658 120.2059 66.4028 68.4812 174.7441 154 L 4.5576 7.9213 118.5953 54.6140 42.2966 176.2634 155 S 4.2878 7.9936 115.3020 59.9274 62.3010 174.1200 156 G 3.6079 9.1114 116.1727 45.4919 0.0000 172.6544 157 Y 4.7860 7.8809 115.7121 57.6928 38.6283 176.2603 158 T 4.4745 8.0881 109.0531 61.2387 70.1853 173.2461 159 G 4.2750 7.5972 109.9625 42.7576 0.0000 170.7729 160 P 4.3294 0.0000 0.0000 64.4256 31.6009 176.3833 161 I 4.2865 7.5681 119.7777 59.6419 38.4969 174.6645 162 T 4.3706 8.1798 122.4335 60.8996 69.6554 173.1142 163 P 4.3416 0.0000 0.0000 62.3957 32.1973 176.9766 164 V 3.6152 8.2229 120.6870 66.0279 31.7322 176.7819 165 E 4.1360 7.7097 117.6662 54.7440 30.1422 174.8773 166 P 4.1552 0.0000 0.0000 62.6854 31.8963 176.6572 167 D 4.5847 8.0641 119.9684 53.5823 39.6135 175.6870 168 L 4.1768 7.9444 123.8711 56.8582 42.5161 179.9502 169 A 3.9096 7.8337 120.5197 52.3391 17.8393 179.4075 *171 V 4.0111 8.0108 119.9060 65.0028 33.4375 177.5226 172 T 4.3387 7.8393 117.5281 66.2848 68.1290 176.5123 173 Q 3.9674 8.1592 119.7483 59.1161 28.7483 179.1253 174 L 3.9973 7.8236 119.4411 57.6712 41.2052 179.2753 175 S 4.1041 8.4016 113.5427 61.7922 62.1385 176.0121 176 H 4.4168 8.4388 117.7632 58.1541 28.4699 176.6093 177 A 4.4431 7.4449 120.8273 51.9565 18.5896 177.9518 178 G 3.8974 7.9169 106.2163 45.4159 0.0000 173.9081 179 C 4.0134 7.4596 117.0043 59.3404 29.2103 174.2654 180 R 4.0870 8.3840 123.2467 55.6420 30.0575 174.3260 181 V 4.6031 8.2641 126.4311 61.7985 33.5685 174.3578 182 I 4.9704 8.6843 129.4209 59.5456 38.8523 174.8268 183 A 4.5179 8.7703 131.1130 51.6851 19.2804 175.8734 184 E 4.8095 9.7369 123.7421 55.5318 33.7251 174.1563 185 G 4.2701 10.2269 116.3961 46.7029 0.0000 173.0654 186 R 3.9010 8.6992 123.4390 56.8252 27.5849 177.9285 187 Y 4.3242 7.7083 116.9937 56.9985 36.2257 174.9841 188 N 4.9918 7.8490 114.2302 52.9242 39.9368 175.6006 189 T 4.7450 7.3648 108.8586 58.7086 73.1376 172.7729 190 P 4.2615 0.0000 0.0000 65.7936 31.3695 178.8543 191 A 3.9941 7.9554 119.1277 55.1894 18.3424 179.5418 192 L 4.0210 8.0895 117.3172 57.8066 41.6819 179.5486 193 A 3.9306 8.1861 120.6300 55.0527 18.2948 179.4671 194 A 3.9385 8.2475 119.3958 55.4852 18.4610 179.6046 195 N 4.7485 8.4944 116.0596 55.8586 38.5812 177.4858 196 A 4.0137 8.0645 122.2249 55.1796 18.4268 179.7265 197 I 3.7827 7.5226 117.8219 64.7236 37.0827 178.6172 198 E 4.0587 8.4263 119.1779 59.2160 29.3706 178.1107 199 H 4.6891 8.1233 114.7697 55.6091 28.7760 176.3739 200 G 4.1970 8.2339 108.3734 45.7235 0.0000 174.2079 201 A 4.1406 7.8320 123.1523 51.9733 18.9490 177.9187 202 W 4.5174 9.0682 133.1978 60.1813 31.3816 176.0030 203 A 4.6389 8.0112 118.8273 50.4794 22.7110 174.8603 204 V 4.5042 8.5726 119.1598 61.3515 34.3973 174.5028 205 T 4.8966 8.9118 125.4332 62.4320 69.5622 174.2585 206 V 3.9774 9.0362 127.5260 61.6782 33.6000 174.1063 207 G 4.1729 8.9642 114.0823 46.4821 0.0000 174.7288 208 S 4.0051 8.5366 113.7454 61.0349 63.5674 176.9853 209 A 4.5456 8.1679 120.8752 54.0785 18.4119 177.8647 210 I 4.3645 7.8899 115.2678 62.1679 39.0962 176.4858 211 T 4.5490 8.2566 106.4677 61.0932 69.3731 174.5876 212 R 4.4065 7.6685 122.9566 53.7148 30.3625 175.9332 213 I 3.5917 8.0391 123.4380 64.3895 37.3135 177.3563 214 E 3.9397 8.0114 118.6614 59.6333 29.3208 179.0443 215 H 3.8601 7.8964 115.6867 58.7231 28.8185 177.7528 216 I 2.6646 7.0350 121.4523 64.2325 36.9056 178.1807 217 C 4.1462 8.2602 117.9258 63.0728 27.8962 176.3061 218 Q 4.0792 7.8693 119.5089 58.6752 28.1210 178.8135 219 W 4.4242 7.9819 120.0132 60.0031 29.1397 178.6518 220 F 4.1342 8.5679 117.7704 60.4165 38.3545 177.7804 221 S 4.1715 8.9303 113.2454 61.7320 62.0055 175.6014 222 H 4.1124 8.5991 119.9635 59.2749 29.6017 176.7737 223 A 4.1598 7.6308 121.7005 55.2434 18.3629 179.6809 224 V 3.8326 7.8025 109.2293 62.4272 32.1514 177.3911 225 K 4.0891 7.6587 118.9448 55.5208 32.4846 177.1110 226 R 4.1324 8.4168 118.5078 57.2007 28.7058 173.8946 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 N 8.28 4.74 0.00 2.67 2.66 0.00 0.00 6.66 6.27 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 A 8.74 4.13 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 2 S 8.60 3.35 0.00 3.96 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 0.00 3 L 7.69 4.03 0.00 1.80 1.88 0.97 0.60 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 4 L 8.01 4.09 0.00 1.94 1.64 0.70 0.91 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 5 A 7.97 4.01 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 6 R 8.13 3.85 0.00 2.02 2.17 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 7 L 8.48 4.10 0.00 2.18 2.13 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 8 E 9.04 4.43 0.00 2.30 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 0.00 2.68 2.58 0.00 9 Q 8.41 4.03 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 10 S 8.47 4.11 0.00 3.88 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 11 V 7.98 3.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.16 0.00 0.00 12 H 8.03 4.08 0.00 3.24 3.51 0.00 5.80 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.20 4.13 0.00 1.99 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 2.61 0.00 14 N 8.46 4.75 0.00 2.71 2.79 0.00 0.00 7.26 7.17 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 15 G 7.84 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 0.00 0.00 0.00 16 G 8.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 5.07 0.00 1.68 1.44 0.89 0.92 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 18 I 8.70 4.89 1.82 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 1.03 0.41 0.93 0.00 0.00 19 V 8.26 4.76 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 0.98 0.00 0.00 0.92 0.00 0.00 20 S 9.03 4.78 0.00 3.92 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 21 C 8.50 4.72 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 22 Q 7.74 4.37 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 23 P 0.00 4.58 0.00 2.14 2.03 0.00 3.75 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 1.96 1.92 0.00 24 V 8.11 3.59 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 1.08 0.00 0.00 0.92 0.00 0.00 25 P 0.00 4.60 0.00 2.21 2.04 0.00 3.82 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 1.98 1.96 0.00 26 G 9.19 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.66 4.26 0.00 3.85 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 28 P 0.00 4.29 0.00 2.06 2.06 0.00 3.89 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 *30 D 7.87 4.45 0.00 2.80 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 31 K 7.36 4.70 0.00 1.76 1.78 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.48 7.81 32 P 0.00 4.68 0.00 2.15 2.10 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 33 E 8.12 3.97 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 110 S 8.50 4.30 0.00 3.88 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 0.00 111 R 7.81 4.49 0.00 1.85 1.86 0.00 3.22 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 112 P 0.00 4.45 0.00 2.40 2.35 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.66 0.00 113 V 7.40 4.43 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.06 0.00 0.00 114 D 8.46 4.68 0.00 3.01 2.79 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 0.00 115 I 8.27 3.75 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.71 1.15 0.00 0.00 116 D 8.18 4.36 0.00 2.92 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 0.00 117 S 8.48 4.09 0.00 4.03 3.89 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 0.00 126 G 7.98 3.92 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 0.00 0.00 0.00 127 L 7.71 4.73 0.00 1.69 1.80 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.05 4.41 0.00 1.86 1.83 1.15 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.60 5.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *131 A 8.40 3.28 1.09 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 0.00 0.00 132 D 8.52 4.86 0.00 2.63 2.56 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 0.00 133 C 8.89 5.14 0.00 2.92 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 0.00 134 S 9.28 4.63 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 0.00 135 T 7.36 4.69 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 136 V 8.30 3.54 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 1.16 0.00 0.00 1.02 0.00 0.00 137 N 8.19 4.38 0.00 2.85 3.06 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 0.00 138 E 8.12 3.60 0.00 1.90 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 1.47 0.00 139 G 7.99 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 3.75 1.93 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 1.70 1.08 0.96 0.00 0.00 141 S 7.88 4.19 0.00 4.25 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 0.00 142 C 8.16 4.37 0.00 3.04 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 0.00 143 H 8.58 4.20 0.00 3.33 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 8.03 4.10 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 145 K 7.73 4.31 0.00 1.97 1.89 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.71 7.81 146 G 7.78 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.43 3.83 2.05 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.65 1.02 0.00 0.00 148 E 8.71 3.73 0.00 1.20 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 149 F 7.49 5.01 0.00 2.92 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 0.00 150 I 8.81 4.32 1.86 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 1.13 1.06 0.89 0.00 0.00 151 G 9.16 4.84 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 0.00 0.00 0.00 152 T 8.28 4.63 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 1.25 0.00 0.00 153 T 7.97 4.07 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 0.00 154 L 7.92 4.56 0.00 1.78 1.74 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.99 4.29 0.00 3.91 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 0.00 156 G 9.11 3.61 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 0.00 0.00 0.00 157 Y 7.88 4.79 0.00 3.11 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 0.00 158 T 8.09 4.47 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 1.28 0.00 0.00 159 G 7.60 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 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0.00 1.63 1.35 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 169 A 7.83 3.91 1.29 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 0.00 0.00 0.00 *171 V 8.01 4.01 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 1.21 0.00 0.00 1.06 0.00 0.00 172 T 7.84 4.34 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 1.00 0.00 0.00 173 Q 8.16 3.97 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 174 L 7.82 4.00 0.00 1.68 1.69 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 175 S 8.40 4.10 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.44 4.42 0.00 3.32 3.34 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 A 7.44 4.44 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 0.00 178 G 7.92 3.90 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 0.00 0.00 0.00 179 C 7.46 4.01 0.00 2.92 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 0.00 180 R 8.38 4.09 0.00 1.52 1.73 0.00 2.36 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.00 181 V 8.26 4.60 2.15 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 0.97 0.00 0.00 0.94 0.00 0.00 182 I 8.68 4.97 1.96 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 1.52 0.88 0.94 0.00 0.00 183 A 8.77 4.52 0.80 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 0.00 184 E 9.74 4.81 0.00 2.07 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 2.24 2.32 0.00 185 G 10.23 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 0.00 186 R 8.70 3.90 0.00 1.74 1.94 0.00 3.28 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 1.59 1.72 0.00 187 Y 7.71 4.32 0.00 3.02 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 0.00 188 N 7.85 4.99 0.00 2.38 2.57 0.00 0.00 7.00 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 0.00 189 T 7.36 4.75 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 1.07 0.00 0.00 190 P 0.00 4.26 0.00 2.19 2.16 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 191 A 7.96 3.99 1.31 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 0.00 0.00 0.00 192 L 8.09 4.02 0.00 1.94 1.86 0.82 0.89 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 0.00 193 A 8.19 3.93 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 0.00 194 A 8.25 3.94 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 0.00 195 N 8.49 4.75 0.00 3.03 2.94 0.00 0.00 6.47 7.41 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 0.00 196 A 8.06 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 I 7.52 3.78 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.96 0.88 0.00 0.00 198 E 8.43 4.06 0.00 2.20 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 2.34 2.49 0.00 199 H 8.12 4.69 0.00 3.48 3.35 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 G 8.23 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 0.00 0.00 0.00 201 A 7.83 4.14 1.26 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 0.00 0.00 202 W 9.07 4.52 0.00 3.28 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 0.00 203 A 8.01 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 V 8.57 4.50 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 0.70 0.00 0.00 0.66 0.00 0.00 205 T 8.91 4.90 4.33 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 1.26 0.00 0.00 206 V 9.04 3.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.04 0.00 0.00 207 G 8.96 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 0.00 208 S 8.54 4.01 0.00 4.21 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 0.00 209 A 8.17 4.55 1.62 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 0.00 0.00 210 I 7.89 4.36 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 1.52 0.76 0.92 0.00 0.00 211 T 8.26 4.55 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 1.25 0.00 0.00 212 R 7.67 4.41 0.00 1.81 1.59 0.00 2.83 0.00 0.00 2.72 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 213 I 8.04 3.59 1.81 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 1.57 0.55 0.84 0.00 0.00 214 E 8.01 3.94 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 2.37 2.42 0.00 215 H 7.90 3.86 0.00 2.88 2.75 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 I 7.04 2.66 1.82 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 1.21 0.37 1.15 0.00 0.00 217 C 8.26 4.15 0.00 3.05 2.97 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 0.00 218 Q 7.87 4.08 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 219 W 7.98 4.42 0.00 3.52 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 F 8.57 4.13 0.00 3.23 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 0.00 221 S 8.93 4.17 0.00 3.93 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 0.00 222 H 8.60 4.11 0.00 3.29 3.54 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 A 7.63 4.16 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 0.00 224 V 7.80 3.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.08 0.00 0.00 225 K 7.66 4.09 0.00 1.97 1.73 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.53 7.81 226 R 8.42 4.13 0.00 1.95 1.90 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.00 * Residues marked with a * may have inaccurate shift predictions.