NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4687 8.1927 115.4150 57.8440 64.8283 173.8860 3 L 3.3045 8.2882 120.5274 57.3983 41.6515 177.0373 4 R 3.4439 7.9169 118.5226 59.4040 30.2795 177.9248 5 S 3.9791 7.7428 113.3099 61.4872 62.9760 176.0403 6 D 4.3107 8.2393 122.8956 56.8391 40.6318 178.4673 7 L 3.8982 8.3666 120.9515 58.3833 42.0997 179.0759 8 I 3.7066 7.8080 119.7449 64.4820 36.9723 178.2552 9 N 4.3486 8.4774 117.5213 56.0210 38.3413 177.4070 10 A 3.9688 8.5290 122.5119 55.1545 18.5702 179.6069 11 L 3.9532 8.3462 117.8834 58.1507 41.8580 179.1404 12 Y 4.0271 8.0275 119.3322 60.9502 38.7401 177.9723 13 D 4.4412 8.3326 119.8254 57.2026 40.9043 178.4392 14 E 4.0187 8.3944 119.9077 59.4524 29.5124 178.4685 15 N 4.6588 8.2228 115.6609 56.5665 38.9912 176.3429 16 Q 3.9931 7.6715 122.7153 59.5535 29.2544 178.4151 17 K 3.9076 7.8399 123.5421 57.6789 32.1619 178.5630 18 Y 5.1221 7.5980 114.8009 56.3193 40.8904 175.0531 19 D 4.9007 8.6639 123.1874 52.1520 42.0651 176.1656 20 V 3.8151 7.8160 125.1122 63.0611 31.8935 175.6313 21 C 4.6736 8.3408 119.1885 57.2267 31.0160 173.0986 22 G 4.0836 7.3866 105.7833 46.2121 0.0000 172.1080 23 I 4.6561 8.4182 113.8640 59.1172 39.8255 174.6247 24 I 5.0434 8.2959 124.9501 59.4483 40.2873 175.2345 25 S 4.6108 9.2712 125.0278 57.4153 63.9371 175.3726 26 A 3.9928 8.4303 124.6603 55.1413 18.2277 178.6067 27 E 4.1628 8.1525 113.0821 56.9674 29.7924 177.5674 28 G 3.9556 8.3584 108.3123 44.6944 0.0000 173.6822 29 K 4.3740 7.7251 121.3967 56.0319 33.8729 175.3373 30 I 5.1679 8.6331 127.0265 59.7759 40.6357 173.8446 31 Y 4.9747 9.2580 125.0938 55.3219 39.9322 174.0060 32 P 4.7027 0.0000 0.0000 62.8976 32.4033 175.6349 33 L 4.4261 8.2557 120.1951 53.4758 42.8783 177.3169 34 G 3.8054 8.4418 113.3509 46.2855 0.0000 174.0068 35 S 4.6007 8.3458 114.1081 57.6022 63.1168 174.6107 36 D 4.8563 7.5905 120.2358 53.9925 43.6241 176.8668 37 T 3.9356 8.5637 119.5161 65.0691 67.3274 176.2544 38 K 3.9494 8.2549 121.4233 59.2814 32.2511 178.7873 39 V 3.5601 7.7770 117.9742 66.1200 31.5078 178.1122 40 L 3.2549 7.7969 118.7316 57.3512 41.2498 179.7529 41 S 4.2786 8.4617 116.8386 61.3293 62.8338 176.7074 42 T 3.8422 7.3369 116.7960 66.9933 68.1349 176.2511 43 I 3.5275 7.3870 121.3936 64.5323 37.0539 178.1764 44 F 4.1667 7.9251 121.0116 61.4867 38.8159 178.5488 45 E 4.1644 8.3280 117.6380 61.2940 29.3795 181.5967 46 L 4.3380 7.8328 119.1707 57.4978 41.7116 179.1118 47 F 4.3727 8.4251 120.2280 61.4153 39.5472 177.1151 48 S 4.2765 8.4245 114.9987 61.1291 62.6897 176.2034 49 R 3.6468 7.9173 121.4562 59.1356 29.6812 176.7532 50 P 4.2410 0.0000 0.0000 65.7292 31.3050 178.4194 51 I 3.5762 7.4703 119.0292 64.2154 37.1572 178.0093 52 I 3.5477 7.6396 120.6754 64.6046 36.9154 178.0344 53 N 4.2977 8.0961 117.5960 56.6379 38.7388 176.3307 54 K 3.8636 8.2211 121.3516 59.6419 31.8047 178.5436 55 I 3.6946 8.2310 119.4743 64.3923 37.1337 178.2621 56 A 4.0759 8.2262 123.8678 56.0390 18.3382 180.1840 57 E 3.9554 8.2808 116.6671 61.0979 29.5664 180.7966 58 K 4.3499 7.9703 118.6207 58.4052 32.3243 177.3995 59 H 4.9578 7.8393 113.3795 55.2564 29.7282 174.4078 60 G 3.8621 8.0356 108.5003 45.8008 0.0000 172.6404 61 Y 4.5932 8.0099 116.5578 56.0532 39.8334 175.5898 62 I 4.0164 8.3288 124.8826 60.6687 38.7660 174.8526 63 V 4.9432 8.3642 126.3811 61.2775 33.2661 174.4873 64 E 4.8948 9.4247 127.0727 54.7465 33.0387 175.1584 65 E 5.1080 8.9924 122.8224 52.8911 32.2066 174.0192 66 P 4.3424 0.0000 0.0000 63.3542 32.0075 177.6650 67 K 4.0962 8.7110 125.1026 56.8916 32.1709 176.0596 68 Q 4.7547 7.5961 116.5399 53.7860 31.2604 180.7197 69 Q 4.1885 8.6201 117.9971 58.7217 28.6940 179.1307 70 N 4.8558 7.8608 115.2240 53.3458 38.0669 175.7025 71 H 5.0859 7.8175 114.1195 54.0777 32.2631 173.4271 72 Y 4.4249 8.9040 126.7582 56.8026 40.0749 172.7603 73 P 4.3422 0.0000 0.0000 60.6189 33.4360 174.4745 74 D 4.2862 8.7296 118.7447 56.9493 41.7356 177.3403 75 F 5.1014 8.5037 116.1879 55.9192 43.5577 174.1257 76 T 5.1159 9.2579 120.2405 62.0015 70.9972 173.0422 77 L 5.9114 9.0742 127.4140 52.5939 44.5971 175.3358 78 Y 4.9693 7.9723 118.0028 56.2968 40.9226 173.5284 79 K 4.2267 7.9078 120.9538 54.8238 33.1696 176.4883 80 P 4.5739 0.0000 0.0000 65.0315 31.5955 177.8021 81 S 4.2467 7.9587 113.4859 60.4570 63.9442 174.2233 82 E 4.6898 7.7463 119.6544 53.8151 29.2084 174.7887 83 P 4.0927 0.0000 0.0000 65.6604 32.0171 178.5133 84 N 4.5049 7.9117 114.1911 52.7641 38.3032 180.1143 85 K 4.7508 7.5205 116.0391 56.2663 31.1609 176.5990 86 K 4.4611 8.3511 121.1791 56.1350 34.3723 177.9299 87 I 4.6821 9.0264 123.9142 59.4730 39.7983 174.3621 88 A 4.8701 8.6543 129.5254 50.5116 20.8964 175.6007 89 I 4.9520 8.8060 123.0407 59.3014 41.1877 173.4381 90 D 5.3588 9.2517 129.3361 52.5632 44.0935 174.5468 91 I 4.9858 9.0658 126.5728 60.0487 38.6027 175.3383 92 K 4.9712 9.1975 126.3212 55.0346 35.7293 175.4393 93 T 5.5809 8.6231 118.1182 62.8753 73.5867 172.6051 94 T 4.6389 8.9204 118.2115 61.5259 71.5272 171.2964 95 Y 4.8976 7.7847 120.7649 55.0381 41.2532 174.6111 96 T 4.4773 8.7695 112.8012 60.9819 71.6836 175.4387 97 N 4.4516 9.0310 122.6991 55.5254 37.9247 177.8889 98 K 4.1272 7.6212 121.9170 56.8000 32.6075 178.8285 *102 K 4.3559 7.5068 123.0481 54.8214 33.6505 176.2735 103 I 4.7598 8.8794 116.3584 58.8531 41.5435 173.8697 104 K 5.0172 7.9036 118.9825 56.0098 35.1700 174.8728 105 F 5.0658 9.7746 120.6285 55.9506 43.4191 174.0773 106 T 4.7771 8.6865 110.6075 60.1051 69.8162 173.9125 107 L 4.5658 8.6331 127.5819 54.8548 42.4392 177.3259 108 G 3.9742 8.2744 105.9807 44.5311 0.0000 174.1750 109 G 3.7774 8.1584 107.9753 45.4432 0.0000 173.3721 110 Y 4.4894 8.1722 118.9559 56.6370 38.5020 176.7695 111 T 4.6000 7.4587 108.7740 61.5886 71.0720 173.8493 112 S 4.7394 6.9267 118.8624 57.5553 61.6578 177.5351 113 F 5.0190 8.9837 113.8110 58.8761 37.1142 176.3134 114 I 3.0240 6.4229 113.4810 62.5038 37.5830 176.7125 115 R 4.2575 7.5172 117.8226 56.0485 31.4333 175.4363 116 N 4.8123 8.0141 116.2764 51.3922 41.0981 174.0484 117 N 4.4083 9.0567 125.6899 56.4578 39.0374 175.6364 118 T 4.6993 8.4616 105.3829 60.8162 69.4361 173.1895 119 K 4.2338 8.2757 123.5871 56.5535 32.7158 175.9864 120 N 4.0895 8.8409 125.0569 53.9937 36.0581 173.6891 121 I 5.0158 7.3123 115.0748 59.0721 41.6240 174.4610 122 V 3.7811 8.9967 127.7388 65.6061 31.5379 175.9199 123 Y 4.8289 7.6020 113.9843 54.9251 41.4713 173.4652 124 P 4.6186 0.0000 0.0000 63.1737 32.2266 177.0651 125 F 4.4487 9.7959 125.4193 61.6718 39.3573 176.7969 126 D 4.5857 9.0023 118.6190 55.2415 39.3703 176.8420 127 Q 4.1196 8.4724 119.0863 56.5791 29.2605 174.6025 128 Y 4.8295 7.6181 116.9950 56.5584 39.0574 175.3954 129 I 4.4550 8.4235 117.1820 60.9277 38.9667 175.4116 130 A 4.7085 7.4618 123.8286 51.2592 22.8776 175.0525 131 H 5.0649 9.0612 117.7358 54.0725 31.9109 172.4795 132 W 5.5313 9.5929 124.5217 55.2513 31.8130 175.6653 133 I 4.9498 8.9826 123.8434 59.7483 39.8747 174.6227 134 I 4.3941 9.0274 129.4332 59.9372 38.5398 174.8837 135 G 3.3327 7.5507 115.5319 44.0486 0.0000 171.0235 136 Y 4.9631 9.1657 122.6965 56.0248 40.7480 174.9806 137 V 4.9539 9.0588 124.3187 61.4252 34.2387 173.5263 138 Y 5.2354 8.3915 126.5870 55.5226 40.9528 174.9236 139 T 4.7590 8.9676 121.5946 63.3416 70.0348 175.2007 140 R 4.6608 9.0461 128.5213 57.7340 30.1101 171.2188 141 V 3.8109 8.7614 123.2692 61.3360 29.8287 178.5750 *147 S 4.2369 9.0285 115.1864 58.8317 63.3072 172.3162 148 L 4.7910 8.5207 120.0683 53.9951 42.1818 173.0874 149 K 4.8731 7.9016 121.9553 54.5959 35.8218 178.7761 150 T 4.6285 7.9644 107.1160 61.7536 71.6137 172.5532 151 Y 4.9042 8.6982 118.6353 56.6350 43.0976 173.9915 152 N 5.3356 9.2369 117.2258 51.2966 41.6840 176.5022 153 I 3.8394 8.7319 123.3497 64.8663 37.2514 177.7955 154 N 4.6211 8.0870 115.2349 53.3652 38.0196 180.4409 155 E 4.6446 8.4658 115.9290 56.6901 29.8631 177.5181 156 L 3.7560 8.1104 121.8127 58.0783 41.6546 179.0592 157 N 4.4875 8.1900 115.5974 55.1670 37.5801 176.0291 158 E 4.2837 8.4943 115.1463 57.0491 30.5654 182.3475 159 I 3.1340 6.7283 117.5691 60.6230 37.2751 174.2935 160 P 4.1713 0.0000 0.0000 62.1602 31.7870 175.9589 161 K 3.8088 8.3111 124.7872 55.4772 32.5862 174.8442 162 P 4.7250 0.0000 0.0000 62.5046 31.4636 175.1382 163 Y 5.0081 6.6012 117.3889 57.1008 40.7618 175.3929 164 K 4.2534 9.2609 126.3599 58.0380 32.6958 176.8393 165 G 4.3372 8.1137 104.0138 46.2194 0.0000 172.8717 166 V 5.0380 8.2229 118.8174 60.1090 34.2920 174.1664 167 K 4.7597 9.0442 122.9029 54.4604 35.9128 175.4649 168 V 4.7565 8.3255 121.4721 59.8705 34.3523 174.5166 169 F 5.0521 8.3499 116.9564 55.0866 41.9243 173.0956 170 L 5.1101 8.5438 121.1789 53.5114 44.1438 175.1506 171 Q 4.5017 9.1578 126.5141 54.3008 33.0275 173.5853 172 D 5.0007 8.7376 124.2237 53.9391 41.2691 177.4428 173 K 3.9174 9.2144 126.2223 59.3983 32.5052 178.8932 174 W 2.8291 8.0418 116.0013 59.1520 27.8552 178.1130 175 V 2.3482 6.2774 117.9831 64.5570 30.7305 177.0284 176 I 3.9294 6.9701 109.1867 59.7122 38.6554 175.5097 177 A 4.4372 7.2357 125.2638 52.4689 18.9336 177.3104 178 G 4.4511 8.8816 110.8591 44.0198 0.0000 172.6705 179 D 4.4272 8.5370 116.4604 52.8310 40.5836 175.7631 180 L 5.0924 7.7516 120.4643 52.8062 44.2073 175.8253 181 A 4.5499 9.1841 124.6818 52.7034 18.6185 177.7538 182 G 4.0350 9.2680 108.0365 47.7907 0.0000 174.0907 183 S 4.3607 7.9202 113.2240 57.8259 65.6294 173.4848 184 G 3.7532 9.1502 110.8278 47.3410 0.0000 175.2824 185 N 4.3145 8.4155 121.2281 55.0155 38.0435 176.3356 186 T 4.1552 7.7828 107.2582 61.6041 69.6653 175.7821 187 T 3.0705 7.2534 110.1311 62.7204 67.7523 170.7720 188 N 5.2132 7.7611 123.5173 51.9955 41.8402 176.2602 189 I 2.9116 8.9119 124.3283 61.0646 38.3287 175.4255 190 G 4.8980 8.3474 112.9253 44.3137 0.0000 173.5193 191 S 5.3133 8.2965 117.6605 56.5516 65.4433 173.6438 192 I 3.8549 8.4531 113.9607 61.5036 38.1211 176.0408 193 H 5.0803 8.7912 124.4808 55.1827 29.8008 173.0905 194 A 4.6419 8.6648 126.2723 50.5008 23.5306 174.3432 195 H 4.8177 8.7583 114.8762 55.5537 29.9736 176.4774 196 Y 4.3307 9.0819 126.0456 61.8284 38.5562 179.7422 197 K 4.0082 8.2870 124.0463 59.8902 31.7846 181.0841 198 D 4.3540 8.5273 119.8602 56.8498 40.6722 178.9683 199 F 3.4437 7.7777 118.2929 60.0817 38.6915 177.7651 200 V 3.3566 6.8121 116.2513 65.8513 31.4361 177.5365 201 E 3.9816 8.4000 118.0608 56.8437 29.4601 176.8927 202 G 3.4978 7.1386 107.3387 47.0642 0.0000 175.7795 203 K 4.1635 7.7274 122.3788 53.2298 30.0654 180.0020 204 G 4.4724 7.5938 113.0188 43.5692 0.0000 170.4367 205 I 4.2414 7.0201 109.0858 60.8130 39.4251 176.1604 206 F 4.8167 7.8991 119.1888 57.2110 39.6063 175.3244 207 D 4.6673 9.9189 124.3552 57.2101 41.1306 176.8506 208 S 3.8717 7.4756 112.2139 56.2834 66.5964 175.3087 209 E 3.3356 6.8269 121.0474 58.6337 29.1340 177.9333 210 D 4.2550 7.6465 118.0090 57.2573 41.3463 177.6572 211 E 4.0480 7.9843 119.3935 59.0786 29.7352 178.3196 212 F 2.3000 7.8220 120.6356 60.7990 39.4063 176.9586 213 L 3.4017 8.1197 118.6810 57.7878 41.3472 179.1701 214 D 4.3223 8.0421 117.7701 57.3667 40.9294 177.5449 215 Y 3.0408 7.4521 119.1688 60.2628 38.9240 177.9263 216 W 4.1576 7.6312 118.8794 59.1671 28.9819 178.8284 217 R 4.1407 7.9971 117.3768 57.9598 29.5095 177.0345 218 N 4.7420 7.3196 113.8323 52.7219 39.2180 173.6191 219 Y 3.3801 7.1310 119.5618 56.6039 38.4610 175.0171 220 E 4.0606 7.3222 127.0135 55.5439 30.3513 178.0521 221 R 4.8850 8.4351 118.3743 58.0852 30.1550 177.0613 222 T 4.7467 7.1303 115.2437 60.6479 73.4790 174.6781 223 S 4.0537 8.7066 121.4881 62.7857 62.6989 177.3466 224 Q 3.9662 8.0633 120.9368 60.9454 27.9798 180.3955 225 L 4.1204 7.9576 120.0214 58.1573 41.7320 179.5358 226 R 3.7206 7.9246 114.8931 57.9350 29.2509 178.0320 227 N 4.3540 8.2465 120.7824 56.2692 39.4109 175.1030 228 D 4.9609 7.5613 119.3729 51.6200 39.8094 179.3305 229 K 4.5123 6.7146 125.0508 55.8457 40.3500 173.7090 230 Y 4.8397 7.0778 115.6303 56.5319 41.2345 173.7955 231 N 4.7749 9.7510 120.9965 53.7677 41.1359 173.2700 232 N 5.3069 7.8457 113.5952 50.3902 40.8459 174.5739 233 I 3.8499 9.1816 117.4656 64.4233 37.8044 177.9924 234 S 4.1644 8.1664 115.4866 61.9112 62.7044 176.5000 235 E 4.1197 8.8714 121.2627 59.4346 29.1364 178.8641 236 Y 3.5403 8.1362 119.7607 60.6567 38.8153 178.3231 237 R 3.7127 8.3717 119.1486 59.0274 30.0182 178.6116 238 N 4.4256 8.2459 117.1706 56.3071 38.9441 176.7617 239 W 4.1785 8.5058 130.2046 60.3989 30.6542 178.0784 240 I 3.1650 7.7427 119.7611 64.3267 36.3300 177.5314 241 Y 4.0567 7.5882 118.8579 60.8985 38.7150 178.1870 242 R 3.6518 7.7576 116.1488 56.8904 30.1375 177.1009 243 G 3.5182 7.3899 107.3286 45.7589 0.0000 173.5991 244 R 2.0000 7.0406 116.1478 55.8559 27.8475 177.5776 245 K 4.2263 6.8644 122.6214 55.0893 32.5381 177.8013 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 S 8.19 4.47 0.00 4.03 4.12 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 0.00 0.00 0.00 3 L 8.29 3.30 0.00 1.51 1.62 0.78 -0.15 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 4 R 7.92 3.44 0.00 1.57 1.71 0.00 2.62 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 5 S 7.74 3.98 0.00 4.06 4.03 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 6 D 8.24 4.31 0.00 3.00 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 7 L 8.37 3.90 0.00 1.81 1.79 0.89 1.25 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 8 I 7.81 3.71 1.87 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.84 0.00 0.00 9 N 8.48 4.35 0.00 2.91 2.86 0.00 0.00 6.91 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.53 3.97 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 11 L 8.35 3.95 0.00 1.65 1.72 0.86 0.80 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 12 Y 8.03 4.03 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 13 D 8.33 4.44 0.00 3.03 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 14 E 8.39 4.02 0.00 2.16 2.08 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 1.59 2.08 0.00 15 N 8.22 4.66 0.00 3.00 2.98 0.00 0.00 7.26 6.37 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 16 Q 7.67 3.99 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 17 K 7.84 3.91 0.00 1.92 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.39 1.35 7.81 18 Y 7.60 5.12 0.00 3.35 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 19 D 8.66 4.90 0.00 2.71 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 20 V 7.82 3.82 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 0.76 0.00 0.00 0.84 0.00 0.00 21 C 8.34 4.67 0.00 2.94 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 22 G 7.39 4.08 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 0.00 0.00 0.00 23 I 8.42 4.66 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.30 0.90 0.00 0.00 24 I 8.30 5.04 1.91 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 1.38 1.15 0.94 0.00 0.00 25 S 9.27 4.61 0.00 4.16 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 26 A 8.43 3.99 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 27 E 8.15 4.16 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 28 G 8.36 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.73 4.37 0.00 1.83 1.69 0.00 1.60 0.00 0.00 1.20 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.06 1.29 7.81 30 I 8.63 5.17 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 1.26 0.78 1.00 0.00 0.00 31 Y 9.26 4.97 0.00 2.90 2.91 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 32 P 0.00 4.70 0.00 2.11 2.14 0.00 3.90 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 33 L 8.26 4.43 0.00 1.57 1.55 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.44 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 0.00 0.00 0.00 35 S 8.35 4.60 0.00 3.62 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.59 4.86 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.56 3.94 4.73 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 1.40 0.00 0.00 38 K 8.25 3.95 0.00 1.87 1.93 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.50 7.81 39 V 7.78 3.56 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 0.91 0.00 0.00 0.92 0.00 0.00 40 L 7.80 3.25 0.00 1.32 0.73 -0.11 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.46 4.28 0.00 3.84 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 42 T 7.34 3.84 4.34 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 1.17 0.00 0.00 43 I 7.39 3.53 1.24 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.66 0.00 0.00 44 F 7.93 4.17 0.00 2.69 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.33 4.16 0.00 1.99 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 2.24 2.22 0.00 46 L 7.83 4.34 0.00 1.84 1.82 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.43 4.37 0.00 3.00 3.29 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 48 S 8.42 4.28 0.00 4.17 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 49 R 7.92 3.65 0.00 2.21 2.19 0.00 3.18 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.02 0.00 50 P 0.00 4.24 0.00 2.21 2.24 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 51 I 7.47 3.58 1.87 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.33 0.86 0.00 0.00 52 I 7.64 3.55 1.49 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 0.50 0.00 0.00 53 N 8.10 4.30 0.00 3.05 2.79 0.00 0.00 6.89 5.70 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 54 K 8.22 3.86 0.00 1.97 1.95 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 55 I 8.23 3.69 1.87 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 1.64 1.04 0.97 0.00 0.00 56 A 8.23 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.28 3.96 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 2.24 2.19 0.00 58 K 7.97 4.35 0.00 1.75 2.06 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.43 7.81 59 H 7.84 4.96 0.00 3.37 3.50 0.00 5.73 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 60 G 8.04 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 61 Y 8.01 4.59 0.00 2.88 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 62 I 8.33 4.02 0.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.53 0.82 0.00 0.00 63 V 8.36 4.94 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.96 0.00 0.00 64 E 9.42 4.89 0.00 2.16 1.95 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 2.37 2.51 0.00 65 E 8.99 5.11 0.00 1.77 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 1.84 2.12 0.00 66 P 0.00 4.34 0.00 2.39 2.10 0.00 3.61 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 1.90 2.02 0.00 67 K 8.71 4.10 0.00 1.80 1.76 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.00 7.81 68 Q 7.60 4.75 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.03 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 69 Q 8.62 4.19 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.72 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 70 N 7.86 4.86 0.00 2.79 2.91 0.00 0.00 6.67 8.16 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 71 H 7.82 5.09 0.00 3.23 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.90 4.42 0.00 3.05 2.58 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 73 P 0.00 4.34 0.00 1.63 0.49 0.00 3.69 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 1.65 1.33 0.00 74 D 8.73 4.29 0.00 2.90 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.50 5.10 0.00 2.92 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 76 T 9.26 5.12 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 77 L 9.07 5.91 0.00 1.50 1.62 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.97 4.97 0.00 2.84 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 79 K 7.91 4.23 0.00 1.59 1.48 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.55 0.55 7.81 80 P 0.00 4.57 0.00 2.17 2.18 0.00 3.57 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 81 S 7.96 4.25 0.00 3.96 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 82 E 7.75 4.69 0.00 1.89 1.83 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 2.17 2.15 0.00 83 P 0.00 4.09 0.00 1.93 2.03 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 84 N 7.91 4.50 0.00 2.77 2.75 0.00 0.00 6.48 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.52 4.75 0.00 1.69 1.75 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.33 7.81 86 K 8.35 4.46 0.00 0.97 1.26 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.05 7.81 87 I 9.03 4.68 1.49 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.64 -0.37 0.00 0.00 88 A 8.65 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.81 4.95 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.66 1.06 0.00 0.00 90 D 9.25 5.36 0.00 2.96 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 91 I 9.07 4.99 2.06 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 1.69 1.30 1.20 0.00 0.00 92 K 9.20 4.97 0.00 1.55 1.58 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.62 7.81 93 T 8.62 5.58 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 94 T 8.92 4.64 3.59 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 0.00 0.00 0.00 0.24 0.00 0.00 95 Y 7.78 4.90 0.00 2.16 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 0.00 0.00 0.00 96 T 8.77 4.48 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 1.14 0.00 0.00 97 N 9.03 4.45 0.00 2.76 2.76 0.00 0.00 6.60 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.62 4.13 0.00 1.77 1.67 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 1.00 7.81 *102 K 7.51 4.36 0.00 1.56 1.67 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 103 I 8.88 4.76 1.52 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 1.55 0.31 0.82 0.00 0.00 104 K 7.90 5.02 0.00 1.82 1.90 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.38 7.81 105 F 9.77 5.07 0.00 3.11 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 0.00 106 T 8.69 4.78 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 107 L 8.63 4.57 0.00 1.52 1.77 1.00 1.41 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 0.00 108 G 8.27 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 0.00 109 G 8.16 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 0.00 0.00 0.00 110 Y 8.17 4.49 0.00 3.14 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 0.00 111 T 7.46 4.60 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 1.16 0.00 0.00 112 S 6.93 4.74 0.00 4.15 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 0.00 113 F 8.98 5.02 0.00 3.19 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 6.42 3.02 1.48 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 1.03 0.36 0.29 0.00 0.00 115 R 7.52 4.26 0.00 1.73 1.97 0.00 3.16 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 116 N 8.01 4.81 0.00 2.65 2.62 0.00 0.00 6.61 6.23 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 0.00 117 N 9.06 4.41 0.00 2.95 2.94 0.00 0.00 6.66 7.22 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 0.00 118 T 8.46 4.70 4.30 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 1.29 0.00 0.00 119 K 8.28 4.23 0.00 1.91 1.79 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.47 7.81 120 N 8.84 4.09 0.00 3.15 3.08 0.00 0.00 6.47 7.29 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 0.00 121 I 7.31 5.02 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.07 1.15 0.00 0.00 122 V 9.00 3.78 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 0.70 0.00 0.00 0.99 0.00 0.00 123 Y 7.60 4.83 0.00 2.96 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.62 0.00 2.39 2.13 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 125 F 9.80 4.45 0.00 3.25 3.46 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 0.00 126 D 9.00 4.59 0.00 2.84 2.91 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 0.00 127 Q 8.47 4.12 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 128 Y 7.62 4.83 0.00 2.79 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 0.00 129 I 8.42 4.45 1.88 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 1.24 0.58 0.87 0.00 0.00 130 A 7.46 4.71 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 0.00 131 H 9.06 5.06 0.00 3.27 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.59 5.53 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.98 4.95 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.79 0.00 0.00 134 I 9.03 4.39 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 1.14 0.84 0.66 0.00 0.00 135 G 7.55 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 0.00 0.00 0.00 136 Y 9.17 4.96 0.00 2.88 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 9.06 4.95 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 1.00 0.00 0.00 1.27 0.00 0.00 138 Y 8.39 5.24 0.00 3.31 3.12 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 0.00 0.00 0.00 139 T 8.97 4.76 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 1.30 0.00 0.00 140 R 9.05 4.66 0.00 1.57 1.73 0.00 3.25 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 141 V 8.76 3.81 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 0.89 0.00 0.00 0.94 0.00 0.00 *147 S 9.03 4.24 0.00 3.99 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 0.00 148 L 8.52 4.79 0.00 1.65 1.45 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.90 4.87 0.00 1.45 1.58 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.21 7.81 150 T 7.96 4.63 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 0.86 0.00 0.00 151 Y 8.70 4.90 0.00 2.88 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 0.00 152 N 9.24 5.34 0.00 2.65 2.69 0.00 0.00 7.44 8.32 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 0.00 153 I 8.73 3.84 1.88 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 1.29 0.48 0.92 0.00 0.00 154 N 8.09 4.62 0.00 2.74 2.72 0.00 0.00 6.62 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 0.00 155 E 8.47 4.64 0.00 2.27 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 0.00 2.31 2.32 0.00 156 L 8.11 3.76 0.00 1.68 1.73 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.19 4.49 0.00 2.79 2.93 0.00 0.00 5.84 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 0.00 158 E 8.49 4.28 0.00 1.96 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 2.21 2.14 0.00 159 I 6.73 3.13 1.52 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.51 0.59 0.00 0.00 160 P 0.00 4.17 0.00 1.96 1.93 0.00 3.56 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 2.04 2.05 0.00 161 K 8.31 3.81 0.00 1.55 1.15 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.09 0.36 7.81 162 P 0.00 4.72 0.00 2.21 2.15 0.00 3.38 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.88 0.00 163 Y 6.60 5.01 0.00 3.16 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 0.00 164 K 9.26 4.25 0.00 1.54 1.76 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.66 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.27 7.81 165 G 8.11 4.34 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 0.00 166 V 8.22 5.04 1.75 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 0.46 0.00 0.00 0.52 0.00 0.00 167 K 9.04 4.76 0.00 1.19 1.10 0.00 0.61 0.00 0.00 1.35 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.07 7.81 168 V 8.33 4.76 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 0.68 0.00 0.00 0.07 0.00 0.00 169 F 8.35 5.05 0.00 2.86 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 0.00 170 L 8.54 5.11 0.00 1.52 1.41 0.15 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 9.16 4.50 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.78 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 172 D 8.74 5.00 0.00 2.47 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.21 3.92 0.00 1.93 1.93 0.00 1.81 0.00 0.00 1.93 0.00 0.00 3.43 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.34 1.46 7.81 174 W 8.04 2.83 0.00 3.07 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 0.00 175 V 6.28 2.35 1.65 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 0.58 0.00 0.00 -0.46 0.00 0.00 176 I 6.97 3.93 1.75 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 1.63 1.14 0.58 0.00 0.00 177 A 7.24 4.44 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.88 4.45 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 0.00 179 D 8.54 4.43 0.00 2.51 2.08 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 0.00 180 L 7.75 5.09 0.00 1.75 1.76 0.99 1.22 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 0.00 181 A 9.18 4.55 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 9.27 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 7.92 4.36 0.00 3.86 3.82 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 0.00 184 G 9.15 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 0.00 0.00 0.00 185 N 8.42 4.31 0.00 2.82 2.99 0.00 0.00 5.95 7.71 0.00 0.00 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 T 7.78 4.16 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 187 T 7.25 3.07 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 1.11 0.00 0.00 188 N 7.76 5.21 0.00 2.69 2.72 0.00 0.00 7.08 7.32 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 0.00 189 I 8.91 2.91 1.58 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.41 0.22 0.00 0.00 190 G 8.35 4.90 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 0.00 191 S 8.30 5.31 0.00 4.37 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 0.00 192 I 8.45 3.85 1.67 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.08 0.82 0.00 0.00 193 H 8.79 5.08 0.00 3.18 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.66 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 H 8.76 4.82 0.00 3.32 3.29 0.00 5.86 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.08 4.33 0.00 3.14 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 0.00 197 K 8.29 4.01 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.10 7.81 198 D 8.53 4.35 0.00 2.47 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 7.78 3.44 0.00 2.47 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 0.00 200 V 6.81 3.36 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 0.68 0.00 0.00 0.54 0.00 0.00 201 E 8.40 3.98 0.00 1.93 1.83 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 2.22 2.38 0.00 202 G 7.14 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 4.16 0.00 1.78 1.65 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.25 7.81 204 G 7.59 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.02 4.24 1.58 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 1.04 -0.04 0.75 0.00 0.00 206 F 7.90 4.82 0.00 3.57 3.46 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 0.00 207 D 9.92 4.67 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 S 7.48 3.87 0.00 3.69 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 E 6.83 3.34 0.00 1.16 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 2.42 2.46 0.00 210 D 7.65 4.26 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 7.98 4.05 0.00 2.25 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 0.00 2.67 2.73 0.00 212 F 7.82 2.30 0.00 2.77 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 0.00 213 L 8.12 3.40 0.00 1.86 1.65 1.14 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 214 D 8.04 4.32 0.00 2.98 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 0.00 215 Y 7.45 3.04 0.00 2.32 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 0.00 216 W 7.63 4.16 0.00 3.09 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 0.00 217 R 8.00 4.14 0.00 1.91 1.98 0.00 3.18 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 218 N 7.32 4.74 0.00 2.60 2.47 0.00 0.00 6.96 7.36 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 0.00 219 Y 7.13 3.38 0.00 2.35 2.27 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 0.00 220 E 7.32 4.06 0.00 1.57 1.57 0.00 0.00 0.00 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 1.86 0.00 221 R 8.44 4.89 0.00 2.07 2.32 0.00 2.60 0.00 0.00 3.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 222 T 7.13 4.75 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 223 S 8.71 4.05 0.00 3.84 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 0.00 224 Q 8.06 3.97 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.06 0.00 225 L 7.96 4.12 0.00 1.65 1.67 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 226 R 7.92 3.72 0.00 1.63 1.47 0.00 2.21 0.00 0.00 2.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.33 0.00 227 N 8.25 4.35 0.00 2.82 2.93 0.00 0.00 6.89 8.33 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 0.00 228 D 7.56 4.96 0.00 2.73 2.49 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 0.00 229 K 6.71 4.51 0.00 1.37 1.03 0.00 1.43 0.00 0.00 0.95 0.00 0.00 2.20 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.45 1.17 7.81 230 Y 7.08 4.84 0.00 3.03 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 0.00 231 N 9.75 4.77 0.00 2.62 3.07 0.00 0.00 6.94 7.49 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 0.00 232 N 7.85 5.31 0.00 3.15 2.98 0.00 0.00 5.92 7.85 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 0.00 233 I 9.18 3.85 1.56 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 1.41 1.49 0.85 0.00 0.00 234 S 8.17 4.16 0.00 4.12 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 0.00 235 E 8.87 4.12 0.00 2.31 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 0.00 2.41 2.64 0.00 236 Y 8.14 3.54 0.00 2.19 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 0.00 237 R 8.37 3.71 0.00 2.10 1.97 0.00 3.26 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 238 N 8.25 4.43 0.00 2.96 3.04 0.00 0.00 6.76 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 0.00 239 W 8.51 4.18 0.00 3.55 3.21 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 0.00 240 I 7.74 3.16 1.84 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 0.86 0.30 0.77 0.00 0.00 241 Y 7.59 4.06 0.00 2.90 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 0.00 242 R 7.76 3.65 0.00 1.83 1.80 0.00 3.23 0.00 0.00 3.33 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.02 0.00 243 G 7.39 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 R 7.04 2.00 0.00 1.51 1.20 0.00 3.01 0.00 0.00 3.10 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.11 0.00 245 K 6.86 4.23 0.00 1.72 1.49 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.