NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1772 7.8833 121.4004 61.1975 39.3234 173.7635 3 R 4.8434 8.2858 125.6573 53.8854 32.4286 173.4338 4 L 5.1596 9.2877 124.1692 52.9097 45.9105 175.1309 5 I 5.1448 8.3177 121.7383 59.5406 41.6608 173.6262 6 F 5.2334 9.3873 128.4961 56.3319 40.6758 174.9625 7 L 5.2587 8.9881 122.8049 53.0649 45.8354 175.9562 8 D 5.0296 8.7529 120.9967 53.3390 42.8675 176.1723 9 I 4.5530 7.8189 119.5155 60.1017 37.4300 174.0431 10 D 4.8952 7.1453 122.2732 51.5863 41.7123 176.8938 11 K 3.9539 8.6486 115.9375 60.4986 32.4012 178.6127 12 T 3.9672 8.0237 108.6424 63.0828 69.0821 174.7254 13 L 4.4737 7.2870 123.1417 55.5470 44.7109 176.5616 14 I 4.5238 7.9043 110.8447 58.5988 37.1399 173.7441 15 P 4.2046 0.0000 0.0000 64.9751 31.8952 177.3626 16 G 3.9728 8.5092 111.0866 44.6875 0.0000 173.8020 17 Y 3.9563 7.7651 115.9501 58.2096 37.3817 169.5535 18 E 4.5880 7.9611 117.9788 55.1121 30.7357 175.0203 19 P 4.5512 0.0000 0.0000 65.7092 32.1168 178.4749 20 D 4.4165 8.4885 118.0292 57.4041 40.4320 177.3720 21 P 4.2795 0.0000 0.0000 65.2462 31.5085 177.9029 22 A 4.1760 8.2709 119.2379 53.6759 18.3572 179.1617 23 K 3.7560 7.9210 118.9849 59.4586 32.2252 176.7975 24 P 4.2225 0.0000 0.0000 65.6622 31.2001 178.7071 25 I 3.6316 7.5877 117.9046 64.3995 37.1123 178.3062 26 I 3.6511 7.8854 120.7382 64.5211 36.9584 178.3419 27 E 3.9383 8.4364 119.6278 59.3983 29.0448 179.1358 28 E 3.9260 7.8861 118.2322 59.2235 30.0237 178.4914 29 L 4.0410 8.0494 119.1771 57.6555 41.3779 179.6946 30 K 4.0873 8.0554 117.8257 59.2182 32.2603 180.2296 31 D 4.7417 7.9878 119.7237 53.7906 40.6909 176.8870 *33 G 3.8566 7.9686 102.9690 46.1322 0.0000 173.5555 34 F 4.9135 8.4411 118.2912 55.8625 41.1152 175.5817 35 E 4.4946 8.9069 122.0281 55.1525 30.9958 175.3790 36 I 4.1588 8.2790 126.5489 60.3691 38.1922 175.5515 37 I 4.2350 8.2151 129.6932 59.2530 39.1705 175.2779 38 F 5.0396 8.5190 126.9968 57.4993 40.2034 174.3297 39 N 5.4556 9.6077 122.7617 51.7438 39.8810 172.8894 40 S 5.0840 9.0741 119.6182 55.8900 66.1807 174.5201 41 S 4.5968 8.7938 116.5216 59.8026 63.7496 174.7193 42 K 4.3095 8.3124 122.2334 56.3729 32.5366 176.6685 43 T 4.5291 8.9055 112.6111 61.2605 70.9090 175.7608 44 R 3.9317 8.6501 121.1104 59.5850 29.8976 178.2869 45 A 3.9624 7.9962 119.9400 55.3324 18.4010 179.3045 46 E 3.9994 8.2163 116.8890 59.8156 29.5336 179.7234 47 Q 3.9821 8.3220 118.1518 58.9227 28.7279 178.5915 48 E 3.7196 8.4936 120.0814 59.2287 29.4115 178.7725 49 Y 4.0107 7.6814 119.6542 61.0174 38.8607 177.7620 50 Y 3.5714 7.4570 117.0307 60.8660 37.8246 178.7759 51 R 4.0005 8.2308 119.4065 59.1580 30.0472 179.0415 52 K 3.8822 7.9465 119.2255 59.6604 32.0232 178.7965 53 E 3.9164 7.7520 117.4896 58.6065 29.3816 178.3164 54 L 4.3980 7.8554 116.2527 53.3211 42.7081 175.9815 55 E 3.7113 7.6951 117.4512 57.5512 27.3689 174.9069 56 V 4.3390 8.0790 117.8381 61.4796 33.0226 174.7813 57 E 4.7087 8.7192 126.5572 56.2533 30.3947 176.0857 58 T 3.9277 7.7359 109.4443 59.7189 70.2947 172.1234 59 P 4.7271 0.0000 0.0000 62.7844 32.2322 175.7588 60 F 5.3719 8.7704 115.5795 55.7062 42.2796 173.2017 61 I 5.2732 9.3640 120.2875 59.6440 40.5274 175.0794 62 S 5.2329 9.1939 120.7472 56.0402 66.4652 173.3120 63 E 4.0015 9.0954 117.5510 57.1428 27.8345 175.3540 64 N 4.0199 8.9140 113.8804 54.6003 36.8907 176.5263 65 G 3.9884 8.2045 100.9084 46.3316 0.0000 174.5118 66 S 4.0669 8.0133 117.7783 60.6034 63.3080 173.9358 67 A 4.7402 7.4052 120.1859 50.4796 22.5596 174.9716 68 I 4.5786 8.2329 122.1649 59.3852 40.1522 174.6294 69 F 4.8703 8.8484 126.0301 55.6021 40.8528 174.6088 70 I 4.4969 8.6505 125.4484 58.5371 39.7302 173.7121 71 P 4.3428 0.0000 0.0000 62.4712 31.7939 176.0810 72 K 3.9062 8.8588 120.9985 58.4147 32.2370 176.7169 73 G 4.0061 9.0809 110.7225 46.5755 0.0000 173.8034 74 Y 3.9820 8.3442 122.9229 59.6659 38.8462 176.5437 75 F 4.5587 7.9803 117.9879 55.3137 40.1147 174.5131 76 P 4.3386 0.0000 0.0000 62.3449 29.8237 174.6844 *83 E 3.9609 8.3369 122.5881 56.7641 31.1687 175.5432 84 V 4.1909 8.4141 121.9208 58.6990 30.9354 172.7939 85 G 3.7577 8.8881 117.7610 45.5661 0.0000 174.3214 *86 N 4.1104 8.3152 116.7812 53.8394 34.9373 177.2050 *87 Y 4.4905 7.3467 115.7288 57.0717 37.7716 178.0258 88 I 4.7215 8.3604 124.8003 59.6783 40.4979 175.6934 89 V 4.4780 7.6961 120.6182 60.8790 34.2691 174.8717 90 I 4.2573 8.3999 129.2451 59.6866 38.9921 174.4147 91 E 4.4713 8.5738 127.5118 55.3580 29.7227 176.3114 92 L 4.4474 8.8928 124.2133 54.5365 44.1563 177.7043 93 G 4.5790 7.5502 109.6472 45.7326 0.0000 172.5961 94 I 4.6883 8.0275 120.8218 59.0960 40.7394 175.1822 95 R 4.5665 8.4337 122.1163 55.9729 30.7580 178.4849 96 V 3.7357 8.5723 122.6599 64.8647 31.1312 178.5843 97 E 3.9974 8.2115 117.9163 59.4293 29.1598 179.2620 98 K 4.3718 8.0002 120.3308 58.6940 32.0245 179.4475 99 I 3.5190 7.6964 119.6980 64.4703 37.1147 178.6071 100 R 3.7713 8.3895 119.1871 59.0107 29.3453 178.9841 101 E 4.0108 8.1095 118.8141 59.1968 29.3661 178.9114 102 E 3.9534 7.9303 119.4097 59.1248 29.6755 178.7884 103 L 3.8129 7.9202 119.2559 57.3381 40.1579 179.2999 104 K 4.0045 8.0357 119.9028 59.4636 31.9013 178.7914 105 K 4.1382 7.8716 116.9242 58.1119 32.3254 178.0844 106 L 4.8004 7.2379 117.9013 54.3884 43.0891 177.7111 107 E 4.0195 8.3179 120.4862 59.8334 29.4686 178.7351 108 N 4.4051 8.1190 115.4611 56.2336 38.5857 177.4035 109 I 3.6186 7.7889 119.6451 64.0606 37.4108 176.3996 110 Y 4.5982 8.3704 115.3805 56.6993 38.6702 175.9007 111 G 4.3441 7.6858 106.4816 45.2903 0.0000 173.7266 112 L 4.6785 7.7605 117.5837 54.2529 42.8490 177.8703 113 K 4.6856 8.7037 121.9400 54.8720 35.8409 175.1321 114 Y 4.3393 8.6856 121.6307 55.8304 41.2357 175.1270 115 Y 4.3417 9.1239 115.9224 61.5371 37.9868 179.4575 116 G 3.8913 9.3392 107.8345 47.7541 0.0000 173.6555 117 N 4.9351 7.3624 116.2067 52.2501 37.6626 174.1676 118 S 4.9262 7.6277 113.2087 57.1219 66.3856 174.7813 119 T 4.3132 8.1903 113.6415 60.9845 71.0468 176.1669 120 K 3.8931 8.4649 120.9684 59.5441 31.9991 179.2273 121 E 3.8150 7.9790 119.1305 59.2696 29.5843 178.5655 122 E 3.4768 7.9165 118.5844 59.2473 29.4157 179.4133 123 I 3.2814 7.8222 120.1103 64.2655 37.0857 178.3457 124 E 3.8508 8.1092 119.4082 59.1687 28.9994 179.6437 125 K 3.8296 7.3901 117.5971 59.3658 32.1699 179.1231 126 F 4.5798 7.6105 117.2795 60.6378 38.8541 177.1579 127 T 4.6677 7.8973 107.5317 61.0158 70.5427 173.0543 128 G 3.4919 7.9461 111.0498 44.8896 0.0000 170.0915 *130 P 4.0397 0.0000 0.0000 61.6815 32.7247 176.0419 131 P 4.1840 0.0000 0.0000 65.8002 30.9981 178.5579 132 E 4.0597 8.0146 114.1256 58.2198 30.0267 177.8977 133 L 4.2363 7.7471 119.4097 55.4835 42.1708 178.4824 134 V 3.6201 7.2493 117.9254 65.8198 31.1677 176.1376 135 P 4.2543 0.0000 0.0000 65.4928 31.1563 178.2703 136 L 4.1300 7.6671 117.1233 57.2100 41.8545 178.9138 137 A 4.2824 7.5137 122.1076 52.1229 18.0971 177.6290 *139 E 4.0679 7.9340 117.9630 57.4205 30.2689 174.8591 140 R 4.3359 7.4750 118.9157 55.3986 31.9730 176.6979 141 E 4.3139 9.3973 120.2819 56.9944 31.6696 177.3102 142 Y 5.5762 8.8787 112.1318 56.2134 40.2536 174.2074 143 S 4.9149 7.6690 113.0181 57.9313 65.8361 173.5444 144 E 4.9652 9.0317 118.9380 54.8950 33.8759 174.9843 145 T 4.9867 8.5895 117.7043 61.8835 71.6963 173.3717 146 I 4.0453 8.4545 128.1667 60.5513 37.1086 175.9005 147 F 4.2130 8.3277 127.8529 59.7946 39.6566 175.7545 148 E 4.4976 7.7247 114.0340 55.4860 32.3123 174.3614 149 W 6.1202 8.0042 116.1475 55.9306 31.0360 174.4703 150 S 4.7883 9.5815 115.2510 58.7701 64.1643 173.7298 151 R 4.9904 8.2226 119.2211 55.3056 32.8449 173.7798 152 D 4.7025 8.6326 123.5141 53.9429 42.1736 176.2163 153 G 4.0167 7.9693 107.9951 45.8001 0.0000 176.5668 154 W 3.3417 7.3620 117.4622 58.8608 28.0067 178.1874 155 E 3.0955 6.1011 119.0551 59.0665 28.7282 178.8573 156 E 3.7784 7.5144 117.9548 59.2335 29.5231 179.4402 157 V 3.5218 7.2636 118.2730 65.9680 31.6083 178.0872 158 L 4.0235 7.8484 118.6613 57.8632 41.4666 179.6869 159 V 4.1117 7.6869 119.4510 65.5866 31.1936 177.8977 160 E 4.0940 8.2764 117.8301 59.1533 29.3846 178.7889 161 G 4.0061 7.8986 102.7916 45.1125 0.0000 174.3306 162 G 3.7172 8.0718 108.9961 45.0613 0.0000 173.4055 163 F 4.7277 8.0822 118.4940 55.8514 42.0102 174.6114 164 K 4.6969 9.0038 119.6537 54.7561 34.7024 176.1188 165 V 4.7040 8.3265 123.1263 61.7865 33.3768 174.0798 166 T 4.6854 8.9393 130.4484 63.0766 71.5578 171.9201 *168 G 3.7702 8.3519 112.3155 46.5881 0.0000 173.2031 169 S 4.2609 8.7335 113.1887 60.7477 63.4542 175.0329 170 R 4.1780 7.5162 113.9978 56.4240 32.8559 174.5746 171 F 5.2401 7.7420 113.2564 55.4277 42.7445 173.8674 172 Y 4.7957 8.7550 119.7467 58.3952 39.3467 174.6782 173 T 5.0911 9.3988 120.0998 61.8378 72.0915 173.0972 174 V 4.8580 8.9651 126.7094 61.8615 33.6323 174.4155 175 H 5.1547 9.0250 123.0500 55.7730 32.0464 172.3212 176 G 4.2509 8.9663 104.0318 46.1364 0.0000 173.4603 177 N 4.0886 8.8919 116.0740 53.5971 36.6128 173.4615 178 S 4.4844 7.4843 111.0547 57.0817 65.5122 172.3852 179 D 5.1210 7.9248 121.8772 52.1413 42.8338 176.0378 180 K 4.0480 8.6684 118.7124 59.4232 31.7397 179.8598 181 G 3.5837 7.9640 106.9772 47.0085 0.0000 175.8343 182 K 3.9300 8.9045 121.3678 59.0990 32.0429 179.3714 183 A 3.9632 7.9645 120.5801 55.0438 18.2374 179.5045 184 A 3.9224 7.9750 119.3476 55.0839 18.4536 179.7031 185 K 3.9028 8.2826 118.3282 59.7461 32.0369 179.1173 186 I 3.9604 7.3750 118.9730 64.3999 37.4973 177.8540 187 L 4.2200 8.1225 121.2268 58.2278 41.8716 178.8541 188 L 4.3520 8.6243 119.3028 58.2040 41.3491 179.2678 189 D 4.4216 7.9852 117.5666 57.3401 40.4770 178.5367 190 F 3.7600 8.3157 118.0162 60.6663 38.7505 177.3744 191 Y 4.2886 8.1920 115.8916 60.9693 37.5627 178.2199 192 K 4.3198 8.6308 120.8988 58.4474 31.8751 178.9073 193 R 3.9815 7.5112 116.9420 58.2691 30.0876 177.4118 194 L 4.4470 8.7896 117.6187 56.9427 42.7022 177.5275 195 G 3.7337 7.0274 106.2622 45.1627 0.0000 171.7251 196 Q 4.3939 8.1615 123.3574 55.8964 29.9949 176.0739 197 I 5.0165 8.0249 123.2079 59.5266 41.5977 174.0460 198 E 4.8990 9.4107 126.2878 54.3913 32.3080 174.6271 199 S 5.5112 9.6288 121.8573 56.8699 66.0256 172.6997 200 Y 5.5272 9.4980 119.5195 56.3872 42.1293 174.3524 201 A 5.3714 9.2210 122.6493 50.4387 23.0318 175.1718 202 V 4.9460 9.0917 122.0580 61.2219 33.7778 174.8817 203 G 4.8202 9.4118 114.3841 44.3158 0.0000 172.4167 204 D 4.9934 9.6026 115.2915 52.9148 41.5317 174.6475 205 S 4.4052 7.8414 113.9168 57.1083 66.2366 174.2851 206 Y 3.1442 7.9714 117.1509 60.4828 37.5242 178.1171 207 N 4.5880 7.7020 115.6611 54.4501 37.5924 175.4734 208 D 4.5566 7.7330 118.2403 55.4775 41.7570 177.5139 209 F 3.1834 7.6320 117.5699 59.9509 38.8520 176.6489 210 P 4.4093 0.0000 0.0000 62.0134 30.3165 178.3641 *212 F 4.9381 8.2562 118.5580 57.6757 40.7035 176.9631 213 E 4.1443 8.2419 115.0338 57.2069 29.9342 177.0053 214 V 4.0577 7.2263 118.6637 63.2880 32.6042 175.7498 215 V 4.4443 7.4172 111.5528 59.5900 33.8735 175.5534 216 D 4.5122 8.5022 121.1164 56.8920 41.2729 177.6564 217 K 4.4888 8.1920 117.1896 54.2802 36.0874 175.5925 218 V 4.7955 7.9734 123.2573 60.9915 34.6166 174.0213 219 F 5.2076 9.2740 125.6796 55.6746 43.0738 174.0018 220 I 5.0445 8.6902 122.5795 59.5925 40.3780 174.6637 221 V 4.3487 8.9021 128.5082 64.0454 31.8593 173.7852 222 G 3.8030 7.9936 116.2609 44.5526 0.0000 172.9587 223 S 4.5934 8.4517 114.1903 57.6102 63.9029 174.0261 224 L 3.9986 7.8876 123.7874 55.5851 42.2330 175.9083 225 K 4.6533 8.5437 124.9962 55.2655 34.1136 175.3727 226 H 4.6895 8.3108 120.7625 54.4827 32.7988 174.2700 227 K 3.8372 8.5216 125.8001 59.0683 31.9371 177.6617 228 K 4.2301 8.1520 114.6340 56.0271 32.9707 175.6396 229 A 4.4800 7.5229 121.3850 50.2984 20.7663 176.4116 230 Q 4.2894 8.2752 123.2225 54.7571 30.5090 174.4356 231 N 5.2329 8.7102 124.4853 53.1952 39.6794 174.9179 232 V 4.6033 8.7292 115.2283 59.9750 36.2048 176.2624 233 S 4.2518 8.8842 115.9580 59.9468 63.0803 173.8637 234 S 4.6428 8.0772 113.3910 55.3337 65.5045 174.3494 235 I 3.6459 8.2733 123.7655 63.9588 37.5863 178.1689 236 I 3.6177 7.7221 121.0044 64.5413 36.9442 178.0493 237 D 4.3183 7.8966 119.4996 56.9753 40.5287 178.9873 238 V 2.7572 7.3269 118.3972 65.8012 31.5809 177.9059 239 L 3.7148 7.3250 118.4103 57.6020 41.1368 179.4567 240 E 3.8654 7.6191 117.6514 59.5338 29.6323 179.3613 241 V 3.3327 8.1212 118.4871 65.8393 31.3225 178.1448 242 I 3.9343 7.5795 119.0714 64.1514 36.9724 178.2506 243 K 4.1364 7.7126 118.4039 59.2063 31.8651 176.7366 244 H 4.4153 7.7118 120.5334 56.2641 28.6694 174.9359 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 2 I 7.88 4.18 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 0.93 0.00 0.00 3 R 8.29 4.84 0.00 0.84 0.95 0.00 2.82 0.00 0.00 2.65 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 4 L 9.29 5.16 0.00 1.44 1.14 0.44 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.32 5.14 1.68 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.81 0.72 0.00 0.00 6 F 9.39 5.23 0.00 3.13 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 7 L 8.99 5.26 0.00 1.76 1.66 0.87 0.75 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 8 D 8.75 5.03 0.00 2.68 2.62 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 9 I 7.82 4.55 1.61 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.39 0.14 0.00 0.00 10 D 7.15 4.90 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.65 3.95 0.00 1.85 1.99 0.00 1.45 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.39 7.81 12 T 8.02 3.97 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 1.28 0.00 0.00 13 L 7.29 4.47 0.00 1.71 1.56 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.90 4.52 1.87 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.36 0.65 0.00 0.00 15 P 0.00 4.20 0.00 2.15 2.17 0.00 3.77 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 1.95 1.93 0.00 16 G 8.51 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 0.00 0.00 0.00 17 Y 7.77 3.96 0.00 3.24 3.35 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 18 E 7.96 4.59 0.00 2.05 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 2.43 2.60 0.00 19 P 0.00 4.55 0.00 2.15 2.10 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 20 D 8.49 4.42 0.00 2.78 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 21 P 0.00 4.28 0.00 2.00 2.11 0.00 3.93 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 22 A 8.27 4.18 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 23 K 7.92 3.76 0.00 1.88 1.91 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 24 P 0.00 4.22 0.00 2.17 2.07 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 25 I 7.59 3.63 1.98 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 1.60 0.79 0.82 0.00 0.00 26 I 7.89 3.65 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.94 0.91 0.00 0.00 27 E 8.44 3.94 0.00 2.12 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 2.60 2.46 0.00 28 E 7.89 3.93 0.00 2.02 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 2.25 2.31 0.00 29 L 8.05 4.04 0.00 1.78 1.57 0.69 0.06 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 30 K 8.06 4.09 0.00 1.91 1.88 0.00 1.71 0.00 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1.59 0.61 -0.19 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 0.00 113 K 8.70 4.69 0.00 1.46 1.67 0.00 1.76 0.00 0.00 2.00 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.76 7.81 114 Y 8.69 4.34 0.00 3.04 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 0.00 115 Y 9.12 4.34 0.00 3.56 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 0.00 116 G 9.34 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 0.00 117 N 7.36 4.94 0.00 2.53 2.45 0.00 0.00 6.75 7.53 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 0.00 118 S 7.63 4.93 0.00 3.99 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 0.00 119 T 8.19 4.31 4.19 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 1.21 0.00 0.00 120 K 8.46 3.89 0.00 1.78 1.87 0.00 1.65 0.00 0.00 1.72 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 *130 P 0.00 4.04 0.00 2.08 1.92 0.00 3.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 131 P 0.00 4.18 0.00 2.09 2.05 0.00 3.52 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 2.05 2.26 0.00 132 E 8.01 4.06 0.00 2.00 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 2.14 2.22 0.00 133 L 7.75 4.24 0.00 1.75 1.72 1.08 0.20 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 0.00 134 V 7.25 3.62 2.18 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 1.08 0.00 0.00 0.89 0.00 0.00 135 P 0.00 4.25 0.00 2.00 2.07 0.00 3.77 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 1.97 2.15 0.00 136 L 7.67 4.13 0.00 1.74 1.69 0.61 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.51 4.28 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 7.93 4.07 0.00 1.92 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 2.15 2.31 0.00 140 R 7.47 4.34 0.00 1.77 1.91 0.00 2.44 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.32 0.00 141 E 9.40 4.31 0.00 1.16 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 2.07 2.14 0.00 142 Y 8.88 5.58 0.00 2.94 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 0.00 143 S 7.67 4.91 0.00 4.04 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 0.00 144 E 9.03 4.97 0.00 1.73 1.67 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 2.19 2.17 0.00 145 T 8.59 4.99 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 1.14 0.00 0.00 146 I 8.45 4.05 2.03 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 1.18 0.18 0.58 0.00 0.00 147 F 8.33 4.21 0.00 1.79 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 156 E 7.51 3.78 0.00 2.01 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 2.25 2.26 0.00 157 V 7.26 3.52 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 1.04 0.00 0.00 0.92 0.00 0.00 158 L 7.85 4.02 0.00 1.83 1.69 0.97 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 159 V 7.69 4.11 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 1.33 0.00 0.00 0.87 0.00 0.00 160 E 8.28 4.09 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 161 G 7.90 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.07 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 0.00 0.00 0.00 163 F 8.08 4.73 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 K 9.00 4.70 0.00 1.26 1.52 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.27 7.81 165 V 8.33 4.70 1.85 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 0.45 0.00 0.00 0.89 0.00 0.00 166 T 8.94 4.69 4.38 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 1.27 0.00 0.00 *168 G 8.35 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 0.00 0.00 0.00 169 S 8.73 4.26 0.00 3.95 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.52 4.18 0.00 1.47 1.45 0.00 2.86 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 171 F 7.74 5.24 0.00 3.17 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 0.00 172 Y 8.75 4.80 0.00 3.33 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 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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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 K 8.90 3.93 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.79 7.81 183 A 7.96 3.96 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 0.00 184 A 7.97 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 K 8.28 3.90 0.00 1.96 1.99 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 186 I 7.38 3.96 2.08 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 0.82 1.11 0.00 0.00 187 L 8.12 4.22 0.00 1.92 2.13 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.62 4.35 0.00 2.23 1.87 1.34 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 189 D 7.99 4.42 0.00 2.96 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 F 8.32 3.76 0.00 3.06 1.86 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 0.00 191 Y 8.19 4.29 0.00 3.38 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 0.00 192 K 8.63 4.32 0.00 1.97 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.61 7.81 193 R 7.51 3.98 0.00 1.71 2.00 0.00 3.07 0.00 0.00 3.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 194 L 8.79 4.45 0.00 1.90 1.79 1.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 195 G 7.03 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 0.00 0.00 0.00 196 Q 8.16 4.39 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 197 I 8.02 5.02 1.94 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 1.37 0.74 0.98 0.00 0.00 198 E 9.41 4.90 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.11 0.00 199 S 9.63 5.51 0.00 4.10 4.05 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 0.00 200 Y 9.50 5.53 0.00 2.97 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 0.00 201 A 9.22 5.37 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 V 9.09 4.95 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 0.84 0.00 0.00 0.96 0.00 0.00 203 G 9.41 4.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 D 9.60 4.99 0.00 2.77 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 0.00 205 S 7.84 4.41 0.00 3.95 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 0.00 206 Y 7.97 3.14 0.00 2.94 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 0.00 207 N 7.70 4.59 0.00 2.82 2.98 0.00 0.00 6.94 7.81 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 0.00 208 D 7.73 4.56 0.00 2.88 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 0.00 209 F 7.63 3.18 0.00 2.95 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 0.00 210 P 0.00 4.41 0.00 2.20 2.12 0.00 3.66 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 2.11 2.13 0.00 *212 F 8.26 4.94 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 8.24 4.14 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 214 V 7.23 4.06 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 0.81 0.00 0.00 0.97 0.00 0.00 215 V 7.42 4.44 2.36 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 0.94 0.00 0.00 1.01 0.00 0.00 216 D 8.50 4.51 0.00 2.52 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 0.00 217 K 8.19 4.49 0.00 1.30 1.49 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 1.03 7.81 218 V 7.97 4.80 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 -0.36 0.00 0.00 0.71 0.00 0.00 219 F 9.27 5.21 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 I 8.69 5.04 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 1.12 0.00 0.00 221 V 8.90 4.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.94 0.00 0.00 222 G 7.99 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 0.00 223 S 8.45 4.59 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 L 7.89 4.00 0.00 1.63 1.76 0.30 0.47 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 0.00 225 K 8.54 4.65 0.00 1.86 1.75 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.62 7.81 226 H 8.31 4.69 0.00 2.70 2.86 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 K 8.52 3.84 0.00 1.67 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 228 K 8.15 4.23 0.00 1.59 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.46 7.81 229 A 7.52 4.48 0.78 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 0.00 0.00 230 Q 8.28 4.29 0.00 1.91 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 231 N 8.71 5.23 0.00 2.66 2.75 0.00 0.00 6.92 7.68 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 0.00 232 V 8.73 4.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 233 S 8.88 4.25 0.00 3.83 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 0.00 234 S 8.08 4.64 0.00 3.83 3.75 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 0.00 235 I 8.27 3.65 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.94 0.86 0.00 0.00 236 I 7.72 3.62 1.82 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 1.47 0.73 0.95 0.00 0.00 237 D 7.90 4.32 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 V 7.33 2.76 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 0.07 0.00 0.00 0.69 0.00 0.00 239 L 7.32 3.71 0.00 1.75 1.56 0.70 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 240 E 7.62 3.87 0.00 2.00 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 2.31 2.46 0.00 241 V 8.12 3.33 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 1.27 0.00 0.00 0.99 0.00 0.00 242 I 7.58 3.93 1.84 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.56 0.89 0.00 0.00 243 K 7.71 4.14 0.00 2.00 1.91 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.71 1.61 7.81 244 H 7.71 4.42 0.00 3.25 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.91 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.