NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0551 8.0549 120.3876 62.6642 33.9992 177.2939 8 K 3.9571 7.9667 119.2299 58.6952 31.9288 175.4531 9 E 4.3485 8.8048 120.8619 59.1096 29.6743 179.1730 10 L 3.9720 7.8140 116.9328 58.2834 41.9759 178.2812 11 L 4.2064 7.7100 120.3615 55.7801 41.2594 178.5482 12 E 3.9277 8.3631 117.1902 60.1994 29.6312 179.7149 13 A 3.8564 8.1127 120.3831 53.4847 18.3413 179.4413 14 G 3.8239 8.3680 104.6120 47.2021 0.0000 175.2283 15 V 4.5309 7.5845 108.6390 59.8256 33.9548 173.3397 16 H 4.9519 8.8749 112.9448 53.4511 30.6741 174.0058 17 F 4.8525 7.9221 112.1628 56.1850 40.7342 172.5677 18 G 3.8569 8.6746 114.6208 45.9092 0.0000 170.8896 19 H 4.4318 8.0391 123.7517 56.2541 36.5644 174.6655 20 E 4.1535 6.0221 115.7837 56.5928 31.5300 176.8753 21 R 4.8195 8.3815 120.0947 55.4043 31.6452 177.3779 22 K 4.5085 9.3272 122.6689 57.4783 31.2830 177.1422 23 R 4.3706 8.1970 117.4423 56.0225 29.6152 175.9663 24 W 4.4270 7.8472 114.4116 55.9444 29.2904 174.7436 25 N 4.6464 8.4649 115.9322 51.2340 40.1853 172.7390 26 P 4.5771 0.0000 0.0000 66.1305 31.5893 177.2472 27 K 3.9374 8.4236 119.1232 59.3273 32.0490 178.4478 28 F 4.5617 8.4447 116.0672 58.7510 39.0032 175.7163 29 A 4.1842 8.3104 125.7662 54.5864 18.4250 180.3660 30 R 3.9615 7.5447 108.7617 57.7581 29.7323 176.2924 31 Y 4.9842 6.9683 114.9394 55.6291 37.9958 174.7172 32 I 4.4480 7.0981 116.9048 60.5750 41.5051 173.0416 33 Y 4.4196 8.7024 126.9904 58.2112 40.1932 176.5290 34 A 4.4172 6.7273 122.9409 52.7218 21.3199 178.2016 35 E 5.1438 7.9038 123.2609 56.1699 30.8616 173.8668 36 R 4.3430 8.4303 127.8177 55.4327 30.1522 175.4298 37 N 4.1029 9.7744 122.4699 54.6131 37.4323 174.1624 38 G 4.4123 8.3571 105.6658 46.3994 0.0000 174.9763 39 I 3.9896 7.7519 121.2245 61.2543 38.0802 175.3603 40 H 5.0808 8.0164 122.4982 54.1176 27.2661 173.6761 41 I 4.2447 7.8363 123.8259 59.9963 35.7822 174.8055 42 I 3.9654 8.3606 124.3139 61.1540 38.1679 174.8577 43 D 4.4528 8.7448 126.5485 54.3116 40.9333 176.0633 44 L 4.2231 8.5203 129.6355 57.3425 41.4516 179.1392 45 Q 3.9284 8.1237 118.6614 58.1748 28.7435 177.1637 46 K 5.0315 8.0896 120.4666 56.7292 32.4293 178.2311 47 T 3.7425 7.9913 116.7585 67.1187 68.4196 176.3182 48 M 4.1766 7.9793 119.5452 58.3915 32.3749 177.3073 49 E 4.2564 7.6866 114.5445 57.7127 29.6585 177.8804 50 E 4.4387 7.4710 118.2061 57.5006 31.1565 178.0915 51 L 4.2017 9.2297 119.6982 57.6309 41.5440 178.8553 52 E 3.9893 8.2659 119.4488 59.3700 29.4755 178.7799 53 R 3.9458 7.9972 117.7929 59.8584 30.2745 178.0378 54 T 3.9287 8.1318 115.5068 67.2777 68.5830 176.5224 55 F 4.0855 8.5877 119.1762 60.3138 38.7174 177.7588 56 R 4.2818 8.2733 116.8361 58.0291 30.1783 177.7690 57 F 4.4156 7.7065 120.4639 60.0240 39.9480 177.4693 58 I 3.4084 7.7029 119.5203 64.4542 37.0780 178.0330 59 E 4.0707 8.6597 120.2633 58.7698 29.2244 176.4836 60 D 5.0164 7.2285 115.7115 53.9720 42.8786 176.2975 61 L 4.3890 7.3510 117.7524 56.0674 47.5345 177.4475 62 A 3.9882 8.4009 120.8545 54.9953 18.3112 178.0778 63 M 4.4319 7.7373 110.6361 55.9316 32.3892 176.3756 64 R 4.2842 7.3393 115.0240 60.0030 29.1141 179.2302 65 G 3.5721 7.4830 100.0913 47.4682 0.0000 172.8224 66 G 3.8782 7.7861 114.4868 44.3971 0.0000 171.1326 67 T 4.3602 8.3649 116.2359 61.3202 70.4230 173.8213 68 I 4.9035 8.4331 124.7321 59.4640 40.2396 174.3645 69 L 5.0968 8.3545 127.4434 53.6236 44.2216 174.9076 70 F 5.4660 9.3136 124.9134 56.0026 41.7880 174.9902 71 V 4.8615 8.9338 122.3526 61.3944 35.3049 174.5768 72 G 4.1415 8.4960 110.3630 45.5952 0.0000 173.6594 73 T 5.0081 9.9648 120.9122 61.1371 69.5884 174.0615 74 K 4.6403 7.8177 120.0926 55.6303 35.0294 176.7542 75 K 4.1972 8.7388 122.4043 58.9984 32.2526 176.9957 76 Q 4.5645 7.8629 115.9761 55.6384 28.7371 176.1844 77 A 4.5121 8.2116 119.5172 50.5751 20.7207 178.9390 78 Q 4.1239 8.2277 119.3003 58.2407 28.8697 176.7358 79 D 4.4006 8.9395 125.0418 58.3745 41.8568 178.5663 80 I 3.7478 7.6785 112.5459 63.5476 37.6442 178.4004 81 V 3.6131 8.3322 120.8506 65.5763 31.4190 177.5952 82 R 2.8742 7.8071 118.0353 60.0091 29.6441 177.5215 83 M 3.8409 7.7132 117.4744 58.5048 31.5889 178.2848 84 E 3.3494 7.9116 116.9623 59.5032 29.7079 179.8215 85 A 3.6141 7.6272 120.4807 54.8464 18.6307 179.1703 86 E 3.8297 7.5705 116.8307 59.8377 29.6235 179.2970 87 R 4.2228 8.5356 115.4112 56.7769 29.8576 176.1475 88 A 4.5347 7.0991 117.3867 51.1792 20.2864 176.4910 89 G 4.0179 8.1752 103.8047 47.0000 0.0000 173.6089 90 M 5.0001 8.2751 117.5759 52.2065 35.5122 174.7976 91 P 4.8596 0.0000 0.0000 63.1721 32.7770 174.9135 92 Y 5.6094 8.2169 120.4590 55.8683 42.2508 174.9778 93 V 4.2902 9.0541 118.5654 61.7049 33.0346 175.4850 94 N 4.6139 9.0544 125.1139 56.1983 40.2365 176.4025 95 Q 4.6046 7.8043 122.2196 55.7038 28.6074 176.3353 96 R 4.0653 8.7595 123.6533 56.9327 30.7635 176.1183 97 W 4.4064 8.4030 131.5335 55.2796 30.5471 175.8394 98 L 3.7911 7.4962 125.7207 54.4569 41.6982 177.2713 99 G 3.6247 7.9893 109.6404 45.5886 0.0000 174.6535 100 G 3.9217 10.1052 111.2897 45.2355 0.0000 175.3865 101 M 3.4547 7.3334 118.8336 57.5335 31.9566 177.1013 102 L 4.6584 8.1714 116.5209 55.3709 43.7698 177.2898 103 T 4.4352 7.9770 113.2504 63.7808 69.9171 173.7911 104 N 5.1957 8.9684 121.3896 51.5698 39.2716 174.7784 105 F 4.4371 8.3459 125.3022 61.6740 40.0766 175.6833 106 K 3.6880 8.2955 117.1413 59.0822 32.0056 177.5405 107 T 4.3035 7.4985 114.4447 65.7763 69.5633 176.6809 108 I 3.6824 8.1044 121.9717 64.4882 37.1647 178.5208 109 S 4.2995 8.2485 115.7962 60.9079 60.9640 175.8753 110 Q 4.2288 8.0535 119.8052 56.9900 28.3430 177.3513 111 R 4.5772 8.3638 120.4051 57.6283 31.3975 178.4465 112 V 3.6613 7.6235 117.5779 66.3200 31.5578 177.6877 113 H 4.0881 8.4616 116.1110 58.7625 28.6802 177.7672 114 R 3.9755 7.5085 119.3295 58.8677 29.7165 178.5189 115 L 4.0470 7.8638 120.8118 58.1324 42.2175 178.7955 116 E 3.9541 7.9224 117.4150 59.2327 29.1259 178.6125 117 E 3.9799 8.2420 119.8502 59.2128 29.3561 179.1660 118 L 4.1522 7.4292 117.2945 57.3450 41.9428 178.6977 119 E 3.8724 8.3304 117.8611 58.7653 29.3728 178.4067 120 A 4.2945 7.9996 120.8141 54.7896 18.9032 179.2481 121 L 4.0266 7.5089 116.9170 58.0759 42.1011 178.0715 122 F 4.3192 8.4092 120.2543 60.5568 39.8658 175.7950 123 A 4.1295 7.7868 130.1559 50.9863 17.4735 176.1922 124 S 4.5580 7.5533 113.5825 57.2738 65.2502 173.5561 125 P 4.7165 0.0000 0.0000 63.4792 30.7666 176.2730 126 E 4.6967 7.7052 117.0878 57.0121 29.1717 176.6449 127 I 4.4347 7.4767 118.1553 60.9171 39.1735 177.2401 128 E 4.1527 8.2208 120.4833 58.0609 30.5993 176.6239 129 E 4.5174 6.8720 120.2730 54.4995 30.1419 177.0141 130 R 3.7308 8.6494 123.3510 55.8169 26.6917 173.3337 131 P 4.2253 0.0000 0.0000 62.6307 32.0672 177.7254 132 K 4.1343 8.5783 118.6451 57.7737 31.5954 179.0056 133 K 4.0321 7.8234 118.6936 60.3092 32.1242 178.6670 134 E 3.9386 8.4913 118.9759 58.9732 29.6066 178.4578 135 Q 4.0592 8.1657 117.5695 59.5152 28.6483 179.1591 136 V 3.6077 7.5498 117.7653 66.1591 31.4687 178.3275 137 R 3.9264 7.4642 117.8897 59.4998 30.0782 178.5345 138 L 4.0059 8.7181 119.3168 57.6327 41.7002 179.3535 139 K 3.9013 8.1056 118.5407 60.1215 32.0445 178.7583 140 H 4.1867 8.0168 118.3114 58.9099 29.6647 176.8232 141 E 3.8828 8.3125 121.3969 59.3357 29.5150 178.4856 142 L 3.7817 8.0363 120.2374 58.1601 41.8319 178.4733 143 E 3.8771 7.7258 117.7661 59.4901 29.6919 179.3529 144 R 3.8733 7.8435 115.4796 58.8012 30.0800 177.9648 145 L 3.9164 8.5336 122.7075 58.2317 42.0337 178.8863 146 Q 3.9806 8.5114 119.3371 59.0247 28.7027 178.1481 147 K 4.0138 8.0532 119.9263 58.4614 32.1835 177.2555 148 Y 4.9232 7.6259 114.3055 57.7557 39.5932 176.1736 149 L 4.8630 7.3205 117.9474 54.4468 42.2911 178.6896 150 S 4.0008 8.3520 117.4836 60.8101 63.0714 175.5936 151 G 3.1466 7.3820 106.7061 45.3135 0.0000 173.2493 152 F 4.7883 8.0069 121.9951 58.5855 40.5772 175.7610 153 R 4.0144 8.4723 118.0231 55.4258 32.1577 181.0651 154 L 3.1305 9.5265 120.7461 56.1784 42.8590 176.5081 155 L 4.3065 8.9009 124.0793 54.9597 43.2727 177.5861 156 K 4.9041 8.4678 126.1338 55.6616 32.1040 176.2043 157 R 4.8075 7.3999 116.5051 54.3730 33.5710 173.9362 158 L 3.7572 8.2457 122.9103 53.7446 42.0018 175.6124 159 P 4.4171 0.0000 0.0000 63.1089 31.8454 176.2797 160 D 4.6391 8.5402 122.0263 57.4065 41.7380 175.7333 161 A 4.8332 7.7304 118.2761 51.2173 23.3756 174.9467 162 I 4.8642 8.0753 111.1087 59.8758 41.0957 174.0745 163 F 6.0255 8.6684 129.2494 56.5379 41.3724 174.5547 164 V 5.0167 7.3110 123.0274 62.7798 34.8571 173.4641 165 V 3.5515 8.6874 121.2479 62.8308 31.6679 177.2270 166 D 4.4606 9.0609 135.0000 53.1586 41.6440 174.0332 167 P 4.1681 0.0000 0.0000 66.1071 31.1155 178.4162 168 T 3.8707 7.6476 108.2393 64.1297 69.0389 176.1534 169 K 4.0084 8.0139 121.2553 58.1572 33.3535 176.4363 170 E 4.5899 7.9692 117.0488 54.8945 29.9188 176.8613 171 A 4.2325 7.4966 122.2188 53.3307 19.0678 179.1356 172 I 3.6119 7.6798 118.4380 64.4893 37.2206 177.6929 173 A 3.6228 7.3445 120.6191 55.3080 17.9645 179.3870 174 V 3.4435 7.1625 116.3688 66.3306 31.2851 178.3908 175 R 3.8013 8.1213 118.2583 59.5753 29.8706 177.7055 176 E 4.0571 8.5363 119.3766 58.9909 29.6039 179.1844 177 A 4.0700 8.5285 120.3803 55.5247 18.3251 179.5880 178 R 3.7258 7.7475 115.4702 59.5436 30.1974 178.3536 179 K 3.8882 8.5092 118.6100 59.0512 32.2517 178.1101 180 L 4.3344 7.3597 117.4534 55.3654 41.9470 177.5791 181 F 4.0089 7.6375 116.6212 56.5918 37.5360 174.6525 182 I 3.9743 7.4571 122.0784 60.6342 37.1321 174.3788 183 P 4.6984 0.0000 0.0000 62.3465 32.9673 175.2064 184 V 4.9072 8.2809 120.0770 61.1481 34.5147 174.0764 185 I 5.6440 9.1190 121.6827 58.5989 40.0310 174.5042 186 A 4.7016 8.4541 126.0776 50.2595 22.5759 175.5690 187 L 5.0830 8.2658 124.9670 53.6138 40.0905 176.4257 188 A 4.2903 7.8490 122.5255 50.6921 19.3946 178.5802 189 D 5.1188 8.4079 123.6140 53.7030 39.7387 176.5473 190 T 3.3176 8.3235 106.5617 64.2369 69.3681 174.0593 191 D 5.1511 7.4113 121.9883 53.8327 41.3669 175.4686 192 S 4.5207 7.2600 111.3706 57.3780 66.9886 173.5500 193 D 5.1945 8.2697 121.5749 50.7143 41.9386 175.2069 194 P 4.8027 0.0000 0.0000 60.1991 29.6867 176.8497 195 D 4.3063 8.5757 113.1677 55.8026 40.2630 173.8652 196 L 4.3200 7.6922 117.7866 56.1012 40.8793 176.7156 197 V 4.2915 7.1336 118.4955 61.3417 33.2608 174.9484 198 D 4.2620 8.8210 127.3966 57.1760 41.9205 175.6422 199 Y 4.5836 8.5861 117.0216 56.0530 40.4918 174.6821 200 I 4.7535 8.5189 124.7433 59.5174 39.8289 176.2173 201 I 4.6289 8.7826 129.1542 58.4146 37.0758 171.3601 202 P 5.5233 0.0000 0.0000 63.5519 32.0605 176.6360 203 G 4.0612 8.8216 110.9697 45.6033 0.0000 170.4679 204 N 4.1247 8.8312 117.2455 54.1003 38.9996 173.7482 205 D 4.9563 8.2649 124.0182 53.0469 40.4082 175.6027 206 D 4.4757 7.9521 117.3870 56.6641 45.1186 175.8759 207 A 4.0976 7.8418 126.8922 52.2346 17.2087 177.5598 208 I 3.7211 8.2395 123.4617 65.2973 36.9455 177.6727 209 R 3.9210 8.1250 118.4799 59.3738 29.6582 177.9188 210 S 4.5248 8.7773 110.9372 59.2781 62.5445 175.7524 211 I 3.9400 7.7354 122.5203 64.5264 37.3392 177.4204 212 Q 4.1152 7.9330 118.7801 57.7219 28.7461 177.5148 213 L 4.1152 7.2900 122.4450 58.6411 42.2906 178.4906 214 I 4.0770 7.3637 119.3471 63.5501 37.0513 178.1238 215 L 4.3245 8.4296 121.9669 57.8216 41.9233 178.5901 216 S 4.4750 7.5708 112.8964 61.2155 62.2482 176.4864 217 R 3.4917 7.7029 118.4534 58.6960 29.9812 178.6633 218 A 4.9303 7.9753 121.5831 55.2747 18.4309 179.5128 219 V 3.5694 8.4271 116.4393 66.4300 31.6946 178.1756 220 D 4.3566 9.2057 119.4831 56.9790 40.4053 177.5977 221 L 4.3645 7.7701 118.0613 55.8522 42.3432 177.9001 222 I 4.1048 7.8768 119.6087 64.6724 37.6898 177.9863 223 I 3.7941 7.5491 119.6527 63.7692 36.8164 177.9733 224 Q 4.2188 7.9015 119.2058 57.6591 29.4118 175.7408 225 A 4.6573 7.6674 123.5871 51.1158 19.1763 176.4498 226 R 4.5333 7.3668 123.7933 58.6288 37.7400 172.5298 227 G 3.4591 8.9623 102.8839 43.9452 0.0000 172.5646 228 G 3.4559 8.3005 114.8069 45.7358 0.0000 176.5315 229 V 3.9300 7.3771 118.5830 61.9014 31.1253 175.5140 230 V 4.5798 7.6025 123.1196 59.7759 33.3722 175.6573 231 E 4.2099 8.5162 120.5838 56.0301 30.4096 174.5985 232 P 4.4011 0.0000 0.0000 62.7539 31.9835 175.9138 233 S 4.6288 8.1196 114.2707 56.0291 64.5124 172.2270 234 P 4.3936 0.0000 0.0000 63.5194 31.1876 176.0436 235 S 4.4550 8.3535 112.3305 58.6217 68.0518 173.7616 236 Y 4.6801 7.4655 118.9269 56.4578 39.4103 173.7133 237 A 4.5154 8.5595 130.3879 52.9052 23.5368 177.3771 238 L 4.5684 7.8669 111.4160 56.7014 42.1771 177.3744 239 V 3.7343 7.5815 120.6537 63.3805 28.2565 173.4119 240 Q 3.6160 7.6486 127.8968 56.7084 29.1679 173.6582 *241 E 4.1630 7.8532 118.7643 56.1385 30.4602 177.7973 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 7 V 8.05 4.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 8 K 7.97 3.96 0.00 1.85 1.95 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.48 7.81 9 E 8.80 4.35 0.00 1.92 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 2.18 0.00 10 L 7.81 3.97 0.00 1.60 1.72 0.91 0.94 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 11 L 7.71 4.21 0.00 1.79 1.51 0.93 0.75 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 12 E 8.36 3.93 0.00 2.32 2.29 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 2.31 2.48 0.00 13 A 8.11 3.86 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.37 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 0.00 0.00 0.00 15 V 7.58 4.53 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 0.67 0.00 0.00 0.88 0.00 0.00 16 H 8.87 4.95 0.00 3.26 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.92 4.85 0.00 3.14 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 18 G 8.67 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 19 H 8.04 4.43 0.00 3.12 3.01 0.00 5.96 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 6.02 4.15 0.00 2.09 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 0.00 2.30 2.63 0.00 21 R 8.38 4.82 0.00 2.18 2.03 0.00 3.20 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 22 K 9.33 4.51 0.00 2.10 2.18 0.00 1.82 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.54 1.44 7.81 23 R 8.20 4.37 0.00 1.78 1.94 0.00 3.25 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 24 W 7.85 4.43 0.00 3.53 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 25 N 8.46 4.65 0.00 2.47 2.70 0.00 0.00 7.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.58 0.00 2.20 2.06 0.00 3.60 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 27 K 8.42 3.94 0.00 1.95 1.98 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.53 7.81 28 F 8.44 4.56 0.00 3.20 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 29 A 8.31 4.18 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 30 R 7.54 3.96 0.00 1.71 1.86 0.00 2.73 0.00 0.00 3.01 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 31 Y 6.97 4.98 0.00 2.25 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.10 4.45 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.45 0.87 0.00 0.00 33 Y 8.70 4.42 0.00 2.90 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 34 A 6.73 4.42 1.02 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 0.00 0.00 35 E 7.90 5.14 0.00 1.72 1.69 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 2.21 2.18 0.00 36 R 8.43 4.34 0.00 1.97 1.83 0.00 3.50 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 37 N 9.77 4.10 0.00 2.89 2.86 0.00 0.00 7.45 7.98 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 38 G 8.36 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.75 3.99 1.92 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 1.27 0.68 0.90 0.00 0.00 40 H 8.02 5.08 0.00 3.61 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.84 4.24 2.03 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 1.57 0.93 1.31 0.00 0.00 42 I 8.36 3.97 2.13 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 1.73 1.32 1.12 0.00 0.00 43 D 8.74 4.45 0.00 2.91 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 44 L 8.52 4.22 0.00 1.66 1.65 0.81 0.79 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 45 Q 8.12 3.93 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 46 K 8.09 5.03 0.00 2.03 1.76 0.00 1.80 0.00 0.00 2.08 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.32 7.81 47 T 7.99 3.74 4.41 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 0.00 0.00 0.00 1.25 0.00 0.00 48 M 7.98 4.18 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 49 E 7.69 4.26 0.00 2.29 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 2.33 2.52 0.00 50 E 7.47 4.44 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 51 L 9.23 4.20 0.00 1.82 2.00 0.99 0.99 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 52 E 8.27 3.99 0.00 2.26 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 2.36 2.36 0.00 53 R 8.00 3.95 0.00 1.99 1.99 0.00 3.30 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 54 T 8.13 3.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 55 F 8.59 4.09 0.00 3.26 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 56 R 8.27 4.28 0.00 2.11 2.07 0.00 3.35 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.84 0.00 57 F 7.71 4.42 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.70 3.41 1.81 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 1.24 0.19 0.85 0.00 0.00 59 E 8.66 4.07 0.00 2.11 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 2.29 2.32 0.00 60 D 7.23 5.02 0.00 2.90 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 61 L 7.35 4.39 0.00 1.17 1.32 0.77 0.86 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 62 A 8.40 3.99 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 63 M 7.74 4.43 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 64 R 7.34 4.28 0.00 1.88 1.89 0.00 2.98 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 65 G 7.48 3.57 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 0.00 0.00 0.00 66 G 7.79 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.36 4.36 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 68 I 8.43 4.90 1.93 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 1.11 0.48 0.29 0.00 0.00 69 L 8.35 5.10 0.00 1.89 1.58 1.29 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.31 5.47 0.00 3.23 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.93 4.86 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 0.75 0.00 0.00 0.97 0.00 0.00 72 G 8.50 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 0.00 0.00 0.00 73 T 9.96 5.01 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 74 K 7.82 4.64 0.00 1.91 1.91 0.00 1.49 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.36 1.37 7.81 75 K 8.74 4.20 0.00 1.75 1.90 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.43 7.81 76 Q 7.86 4.56 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.24 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 77 A 8.21 4.51 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.23 4.12 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.54 6.70 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 79 D 8.94 4.40 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.68 3.75 1.81 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 1.50 0.79 0.85 0.00 0.00 81 V 8.33 3.61 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 1.04 0.00 0.00 0.98 0.00 0.00 82 R 7.81 2.87 0.00 2.10 2.00 0.00 3.35 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 83 M 7.71 3.84 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 84 E 7.91 3.35 0.00 1.98 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 2.42 2.46 0.00 85 A 7.63 3.61 1.15 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 0.00 0.00 86 E 7.57 3.83 0.00 2.10 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 2.42 2.26 0.00 87 R 8.54 4.22 0.00 1.78 1.85 0.00 3.33 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 88 A 7.10 4.53 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.18 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 8.28 5.00 0.00 2.29 1.95 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.93 0.00 91 P 0.00 4.86 0.00 2.18 1.97 0.00 3.92 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 92 Y 8.22 5.61 0.00 3.04 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 93 V 9.05 4.29 2.37 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 1.29 0.00 0.00 1.30 0.00 0.00 94 N 9.05 4.61 0.00 3.14 3.01 0.00 0.00 7.28 7.08 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 95 Q 7.80 4.60 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 96 R 8.76 4.07 0.00 1.71 1.79 0.00 3.34 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 97 W 8.40 4.41 0.00 3.19 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 98 L 7.50 3.79 0.00 1.02 1.14 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.99 3.62 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 0.00 100 G 10.11 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 0.00 101 M 7.33 3.45 0.00 1.33 1.16 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 102 L 8.17 4.66 0.00 1.96 1.81 1.41 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.98 4.44 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 104 N 8.97 5.20 0.00 2.66 2.66 0.00 0.00 6.74 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.35 4.44 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.30 3.69 0.00 1.82 1.87 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.53 7.81 107 T 7.50 4.30 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 1.25 0.00 0.00 108 I 8.10 3.68 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.87 0.92 0.00 0.00 109 S 8.25 4.30 0.00 3.51 3.62 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 0.00 110 Q 8.05 4.23 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 111 R 8.36 4.58 0.00 1.88 1.96 0.00 3.28 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 112 V 7.62 3.66 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 113 H 8.46 4.09 0.00 3.34 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.51 3.98 0.00 1.94 2.03 0.00 3.45 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 115 L 7.86 4.05 0.00 1.83 1.82 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.92 3.95 0.00 2.18 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 2.43 2.32 0.00 117 E 8.24 3.98 0.00 2.18 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 0.00 2.47 2.53 0.00 118 L 7.43 4.15 0.00 1.87 1.73 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.33 3.87 0.00 2.02 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 2.29 2.34 0.00 120 A 8.00 4.29 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.51 4.03 0.00 1.87 1.76 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.41 4.32 0.00 3.02 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.79 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.55 4.56 0.00 3.96 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.72 0.00 2.20 2.10 0.00 3.77 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 1.97 1.97 0.00 126 E 7.71 4.70 0.00 1.94 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 2.24 2.23 0.00 127 I 7.48 4.43 1.80 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 1.43 1.13 0.86 0.00 0.00 128 E 8.22 4.15 0.00 1.88 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 2.28 2.38 0.00 129 E 6.87 4.52 0.00 2.13 1.53 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 2.22 2.23 0.00 130 R 8.65 3.73 0.00 1.95 1.98 0.00 3.41 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.84 0.00 131 P 0.00 4.23 0.00 2.21 2.22 0.00 3.70 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 2.09 2.00 0.00 132 K 8.58 4.13 0.00 1.84 1.82 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.69 7.81 133 K 7.82 4.03 0.00 1.81 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.47 7.81 134 E 8.49 3.94 0.00 2.05 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 2.49 0.00 135 Q 8.17 4.06 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.83 0.00 136 V 7.55 3.61 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 0.95 0.00 0.00 1.01 0.00 0.00 137 R 7.46 3.93 0.00 2.16 1.91 0.00 3.32 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 138 L 8.72 4.01 0.00 1.72 1.72 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.11 3.90 0.00 2.21 1.93 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.54 1.67 7.81 140 H 8.02 4.19 0.00 3.51 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.31 3.88 0.00 2.09 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 0.00 2.32 2.34 0.00 142 L 8.04 3.78 0.00 1.76 1.83 0.89 0.82 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 0.00 143 E 7.73 3.88 0.00 2.03 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 2.63 2.48 0.00 144 R 7.84 3.87 0.00 1.90 2.02 0.00 2.81 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 145 L 8.53 3.92 0.00 1.85 1.73 0.96 0.55 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 0.00 146 Q 8.51 3.98 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 147 K 8.05 4.01 0.00 1.80 1.45 0.00 1.60 0.00 0.00 1.31 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.04 1.29 7.81 148 Y 7.63 4.92 0.00 2.97 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 0.00 149 L 7.32 4.86 0.00 1.79 1.73 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.35 4.00 0.00 3.85 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 0.00 151 G 7.38 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 0.00 0.00 0.00 152 F 8.01 4.79 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 0.00 153 R 8.47 4.01 0.00 1.76 1.62 0.00 3.34 0.00 0.00 3.22 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 154 L 9.53 3.13 0.00 1.72 1.64 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.90 4.31 0.00 1.61 1.60 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.47 4.90 0.00 1.81 1.82 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.43 7.81 157 R 7.40 4.81 0.00 1.77 1.73 0.00 3.26 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 158 L 8.25 3.76 0.00 1.61 1.53 0.96 1.06 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 0.00 159 P 0.00 4.42 0.00 2.07 2.04 0.00 3.57 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 2.04 2.07 0.00 160 D 8.54 4.64 0.00 2.58 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 7.73 4.83 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.08 4.86 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.98 0.95 0.00 0.00 163 F 8.67 6.03 0.00 2.13 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 0.00 164 V 7.31 5.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.76 0.00 0.00 165 V 8.69 3.55 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 0.61 0.00 0.00 0.94 0.00 0.00 166 D 9.06 4.46 0.00 2.70 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 0.00 167 P 0.00 4.17 0.00 2.23 2.22 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 168 T 7.65 3.87 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 169 K 8.01 4.01 0.00 1.87 1.90 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 170 E 7.97 4.59 0.00 1.83 1.41 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 0.00 2.04 2.17 0.00 171 A 7.50 4.23 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 0.00 172 I 7.68 3.61 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.45 1.13 0.00 0.00 173 A 7.34 3.62 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 V 7.16 3.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.88 0.00 0.00 175 R 8.12 3.80 0.00 1.89 2.13 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 176 E 8.54 4.06 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.82 0.00 177 A 8.53 4.07 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 0.00 178 R 7.75 3.73 0.00 2.03 1.89 0.00 3.18 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 179 K 8.51 3.89 0.00 1.70 1.94 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 180 L 7.36 4.33 0.00 1.81 1.79 1.10 0.99 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 0.00 181 F 7.64 4.01 0.00 3.19 3.48 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 0.00 0.00 0.00 0.00 182 I 7.46 3.97 1.91 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 1.40 0.53 1.03 0.00 0.00 183 P 0.00 4.70 0.00 2.15 2.05 0.00 4.12 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 2.33 2.07 0.00 184 V 8.28 4.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.90 0.00 0.00 185 I 9.12 5.64 1.97 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.35 0.82 0.00 0.00 186 A 8.45 4.70 1.16 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 0.00 0.00 0.00 0.00 0.00 187 L 8.27 5.08 0.00 1.47 1.59 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 188 A 7.85 4.29 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 0.00 189 D 8.41 5.12 0.00 2.76 2.98 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 0.00 190 T 8.32 3.32 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 191 D 7.41 5.15 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 S 7.26 4.52 0.00 3.60 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 0.00 193 D 8.27 5.19 0.00 2.79 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 P 0.00 4.80 0.00 2.31 1.83 0.00 4.08 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 195 D 8.58 4.31 0.00 2.93 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 7.69 4.32 0.00 1.69 1.73 1.03 0.47 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 0.00 197 V 7.13 4.29 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 0.90 0.00 0.00 0.92 0.00 0.00 198 D 8.82 4.26 0.00 2.51 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 0.00 0.00 0.00 199 Y 8.59 4.58 0.00 2.74 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 0.00 200 I 8.52 4.75 1.81 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.98 0.00 0.00 201 I 8.78 4.63 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 1.08 0.00 0.00 202 P 0.00 5.52 0.00 2.16 2.14 0.00 3.49 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.43 0.00 203 G 8.82 4.06 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 0.00 0.00 0.00 204 N 8.83 4.12 0.00 2.76 2.76 0.00 0.00 6.67 8.47 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 0.00 205 D 8.26 4.96 0.00 2.71 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 0.00 206 D 7.95 4.48 0.00 2.79 2.71 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 0.00 207 A 7.84 4.10 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 0.00 208 I 8.24 3.72 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.75 0.85 0.00 0.00 209 R 8.13 3.92 0.00 1.80 2.09 0.00 3.34 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 210 S 8.78 4.52 0.00 3.88 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 0.00 211 I 7.74 3.94 1.94 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 1.38 0.47 0.90 0.00 0.00 212 Q 7.93 4.12 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.21 0.00 213 L 7.29 4.12 0.00 1.75 1.64 0.72 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 214 I 7.36 4.08 2.04 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 1.77 0.88 1.21 0.00 0.00 215 L 8.43 4.32 0.00 2.02 1.69 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 216 S 7.57 4.48 0.00 4.06 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 0.00 217 R 7.70 3.49 0.00 1.84 1.81 0.00 3.29 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 218 A 7.98 4.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 V 8.43 3.57 2.38 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 1.10 0.00 0.00 0.80 0.00 0.00 220 D 9.21 4.36 0.00 2.70 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 0.00 221 L 7.77 4.36 0.00 1.99 2.02 1.02 0.83 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 0.00 222 I 7.88 4.10 2.04 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 1.58 0.81 0.93 0.00 0.00 223 I 7.55 3.79 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.90 0.00 0.00 224 Q 7.90 4.22 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.46 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 225 A 7.67 4.66 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 0.00 226 R 7.37 4.53 0.00 1.72 1.99 0.00 3.23 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 227 G 8.96 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 0.00 0.00 0.00 228 G 8.30 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 0.00 0.00 0.00 229 V 7.38 3.93 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 0.82 0.00 0.00 0.92 0.00 0.00 230 V 7.60 4.58 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 0.81 0.00 0.00 0.92 0.00 0.00 231 E 8.52 4.21 0.00 2.08 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 2.27 2.33 0.00 232 P 0.00 4.40 0.00 2.10 2.07 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 233 S 8.12 4.63 0.00 3.93 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 0.00 234 P 0.00 4.39 0.00 2.18 2.11 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 235 S 8.35 4.45 0.00 3.54 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 Y 7.47 4.68 0.00 2.96 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 0.00 237 A 8.56 4.52 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 L 7.87 4.57 0.00 1.73 1.71 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 239 V 7.58 3.73 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 0.76 0.00 0.00 0.91 0.00 0.00 240 Q 7.65 3.62 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 *241 E 7.85 4.16 0.00 1.77 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.