NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4317 7.7374 119.3920 56.4538 34.7146 175.3983 4 G 3.9019 7.8791 107.1386 46.6384 0.0000 171.6427 5 E 4.0539 8.2019 121.8678 58.5449 30.5691 176.9380 6 E 4.0602 8.2567 116.6257 59.1608 29.7495 178.5087 7 L 3.9685 7.6328 117.7032 56.1824 41.3118 177.4151 8 F 5.0949 8.2223 116.7914 57.3506 39.6739 177.2644 9 T 4.0410 7.8832 118.5650 65.8721 68.6471 173.7321 10 G 4.4606 7.1529 106.4603 43.7766 0.0000 171.4184 11 V 4.0635 8.4836 120.7486 62.8706 32.1492 176.8256 12 V 4.6499 9.3747 129.4668 60.4096 33.9761 173.1817 13 P 4.9485 0.0000 0.0000 63.0543 33.0211 175.0998 14 I 5.7555 8.1586 121.3571 59.2319 42.2487 173.8468 15 L 5.2020 8.4263 126.2956 53.5016 45.7638 175.0445 16 V 5.0475 9.1892 124.7623 61.4336 35.7977 173.5779 17 E 5.2595 9.1918 125.3824 54.5897 33.3758 174.2681 18 L 5.3148 9.5035 126.6649 53.3747 45.5279 174.5627 19 D 5.1540 9.1717 126.2302 52.6047 43.5106 175.6634 20 G 3.6449 8.7484 108.9962 44.2209 0.0000 171.4694 21 D 4.6598 7.8603 119.5305 53.5288 44.3004 174.3607 22 V 4.5457 9.0032 128.1850 61.0074 33.5949 175.1504 23 N 4.2978 9.7636 128.8258 54.5084 35.7802 176.0567 24 G 3.7827 8.2999 103.9917 45.9542 0.0000 173.3948 25 H 4.4152 7.8513 120.5513 54.6732 29.0614 173.6166 26 K 4.9377 8.4036 127.2413 55.5791 32.7736 176.4691 27 F 5.0763 8.8556 119.7075 55.6885 41.5990 173.3920 28 S 5.3768 9.3537 114.8817 57.1315 67.4224 173.3858 29 V 5.0793 9.0922 121.2569 61.6655 35.4773 173.7173 30 S 5.2663 9.3056 121.0366 56.6151 66.4494 173.0719 31 G 4.0063 9.6980 109.6164 44.4609 0.0000 171.1789 32 E 5.0075 8.3543 121.0361 54.6899 34.1190 175.6351 33 G 4.1751 8.0089 107.5202 46.5882 0.0000 171.7418 34 E 4.9266 9.4079 119.6855 54.4821 34.0641 175.3105 35 G 3.1573 9.0317 109.3403 44.3604 0.0000 171.6161 36 D 5.1996 9.4726 121.7860 51.9283 42.0185 175.0596 37 A 4.3847 9.2484 126.8983 55.1509 18.8968 180.2341 38 T 3.6853 8.1331 104.3250 64.5820 68.2994 174.4000 39 Y 4.4893 8.2341 117.7584 56.7271 38.1467 176.2266 40 G 4.2402 8.2736 107.3879 46.0505 0.0000 172.6761 41 K 4.6403 7.7587 120.2289 54.8980 33.9212 175.3727 42 L 4.9101 8.2871 126.9140 53.1518 44.8445 175.6128 43 T 4.8429 8.7621 120.0462 61.8327 71.9263 173.0380 44 L 4.7186 8.7303 125.6574 52.7471 46.8867 175.7079 45 K 4.7584 7.9289 120.9670 54.7987 35.6543 174.8872 46 F 5.0252 8.7503 125.6548 55.6643 42.3614 174.5358 47 I 5.1201 8.7135 122.3613 59.7789 41.6318 174.4380 48 C 4.9723 9.7884 128.3237 58.9670 31.3995 173.2237 49 T 4.6054 8.5001 115.2644 61.9508 68.8908 175.3328 50 T 4.5701 7.9851 110.0972 61.3025 70.2578 173.2953 51 G 4.0402 7.4093 105.0308 44.4120 0.0000 174.3630 52 K 4.2954 8.4857 122.7164 55.9877 32.8550 176.5202 53 L 3.8113 9.1246 125.1481 54.3558 42.4141 175.3953 54 P 4.2547 0.0000 0.0000 63.4217 31.8218 175.7627 55 V 4.1376 6.4853 109.6696 58.0013 35.1777 173.0563 56 P 4.4405 0.0000 0.0000 62.1019 31.9118 177.7650 57 W 4.4021 9.1157 123.0377 59.8189 28.5056 176.8636 58 P 4.5830 0.0000 0.0000 65.7595 30.5483 178.1578 59 T 4.3862 7.8586 106.5967 63.2973 69.1831 175.4837 60 L 4.4025 8.1316 121.4394 54.3803 42.4886 178.0816 61 V 3.6120 7.5929 119.1051 66.4269 31.2204 178.0083 62 T 3.8122 7.8928 107.4424 65.0341 68.7515 176.2025 63 T 4.0369 7.1146 115.5337 66.2756 68.5716 176.3960 64 F 4.6247 7.5114 118.5756 59.8764 40.3039 175.5952 *68 L 4.3218 7.6542 118.3441 54.1667 42.6600 177.8473 69 Q 3.8352 7.9096 118.5906 58.2840 29.2798 179.4294 70 C 4.0863 7.7415 111.4872 60.1123 29.9677 174.1306 71 F 4.4329 8.1778 119.3975 57.5089 38.5783 175.2533 72 A 4.1562 7.5250 123.1657 52.0049 19.3640 177.7404 73 R 4.5455 8.6186 120.6471 55.0670 31.6680 174.9761 74 Y 4.3806 8.5688 125.4374 56.0037 38.6555 174.3095 75 P 4.3550 0.0000 0.0000 62.2938 32.3999 176.7285 76 D 4.4215 8.9966 121.5420 57.9327 41.0713 179.0195 77 H 4.2741 8.3813 112.3026 58.0609 28.6303 175.7121 78 M 4.5917 8.1112 119.3288 54.9264 32.3355 177.7839 79 K 4.1280 7.8418 120.7854 58.8683 32.2623 179.4060 80 R 3.9331 7.7571 116.8438 58.6198 30.1117 176.7890 81 H 4.7009 7.5079 113.4597 55.7229 28.6456 175.7203 82 D 3.5142 7.1970 121.9588 52.5484 39.2880 176.2837 83 F 4.3438 7.9513 125.9683 59.7636 40.1417 176.6537 84 F 4.3864 8.0724 118.5337 60.5499 38.9079 176.7166 85 K 4.1356 7.9053 119.5472 58.8633 32.1421 179.1148 86 S 4.5553 7.4779 111.2366 58.3271 62.4057 175.1739 87 A 4.5870 8.3360 120.6109 52.6703 21.1091 176.7337 88 M 4.9310 7.8734 115.5467 53.3826 33.3048 174.7223 89 P 4.6599 0.0000 0.0000 65.0841 32.3214 178.2008 90 E 3.6517 8.4130 118.7072 59.8345 29.5621 177.3295 91 G 4.2185 9.7689 103.0033 45.5661 0.0000 170.9992 92 Y 5.4605 7.2033 114.6945 55.4463 42.3205 173.9943 93 V 4.9137 9.1548 120.3145 61.4040 33.8332 173.9152 94 Q 5.2065 9.3302 129.7279 54.5527 31.2855 173.9553 95 E 5.3495 9.1922 125.1658 54.9775 33.7022 175.0094 96 R 5.8215 9.0105 120.8144 55.7796 35.7199 174.1345 97 T 5.0549 8.3840 116.4911 62.0652 72.7532 173.0230 98 I 5.1902 8.5792 126.5527 58.4558 40.9865 174.3516 99 F 5.0148 8.5497 126.7058 55.8823 40.8084 175.3579 100 F 3.5573 10.0337 124.6095 58.8979 39.0687 177.4836 101 K 4.1434 8.8070 122.4593 55.1689 33.3788 175.1000 102 D 5.0790 7.8693 121.7916 53.4858 42.6746 175.6348 103 D 4.2648 8.5016 121.5440 53.4993 43.4640 173.2953 104 G 2.8674 8.7143 106.5185 45.4480 0.0000 171.9180 105 N 5.6218 8.0342 115.5402 51.3851 41.4300 172.9022 106 Y 5.4863 9.5842 117.7550 56.1949 41.5261 174.7036 107 K 5.0552 9.3511 125.5877 54.8690 34.5900 174.8727 108 T 5.1787 9.5776 118.2807 59.9076 72.7723 172.9443 109 R 5.0957 8.7556 122.3209 54.8107 33.3074 173.6535 110 A 5.3103 9.6960 127.9538 50.1145 23.1828 174.3391 111 E 4.8013 9.2232 122.4888 54.6358 31.7779 174.6530 112 V 4.6589 8.7474 129.0450 61.4804 33.0447 174.7650 113 K 4.5554 8.6827 125.2664 56.0970 36.0683 174.4582 114 F 4.8629 8.4821 120.5849 57.6167 39.9466 175.7793 115 E 4.5251 9.8532 123.3750 55.0268 31.0084 176.7813 116 G 3.9352 8.3201 116.4822 46.8602 0.0000 173.1771 117 D 4.5935 8.7971 123.2047 55.2429 41.4433 175.8598 118 T 4.8100 7.7361 117.2675 61.8812 71.0888 173.6355 119 L 4.2158 9.0003 128.7854 54.0981 43.1752 175.4078 120 V 5.2602 8.4787 126.8835 60.7607 34.6210 174.4348 121 N 5.7770 8.4744 123.9827 52.2862 42.0744 172.5660 122 R 5.1210 8.7497 127.1833 54.7703 32.5072 174.6604 123 I 5.8431 9.0252 126.0775 58.8592 42.3514 173.9492 124 E 5.1442 8.6884 122.8514 54.6548 33.4352 174.6258 125 L 5.0338 8.6415 123.9156 53.3154 46.3986 174.4844 126 K 4.7186 9.5155 126.9704 54.5923 34.9526 174.6297 127 G 5.0303 9.7873 116.3983 44.7808 0.0000 172.3418 128 I 5.0434 8.5979 116.4552 59.4890 41.9371 174.4655 129 D 4.5956 8.6754 118.4417 55.3381 38.1731 174.1916 130 F 4.6893 7.9594 116.5514 56.4799 40.0630 175.7056 131 K 4.4369 8.6555 122.8237 55.6085 32.9161 178.0925 132 E 4.0527 8.8166 121.1867 58.1203 30.1206 177.1237 133 D 4.5754 7.9886 117.4434 53.5750 40.3000 176.4002 134 G 4.0139 7.2830 109.2142 45.4482 0.0000 173.6883 135 N 4.3000 8.7424 114.9502 56.2804 38.3259 176.9271 136 I 3.7642 7.0562 119.2993 62.6722 37.4848 177.5164 137 L 3.6336 7.9786 126.7064 57.7288 42.1752 178.3632 138 G 3.9063 7.4618 105.2613 45.9104 0.0000 174.1202 139 H 3.9405 7.4157 113.2208 56.6233 25.5136 174.7318 140 K 4.6915 8.7606 117.6174 56.0829 33.9135 176.9808 141 L 4.7094 7.7290 120.3664 53.6993 42.9385 176.3201 142 E 4.2713 8.6197 122.6615 55.5541 30.4313 177.3581 143 Y 4.5935 8.3684 124.9146 56.3690 37.1410 172.8643 144 N 5.0719 7.4177 118.0599 52.3251 40.8741 173.6741 145 Y 4.2360 8.0365 117.7793 56.5970 41.5904 174.1514 146 N 4.6957 8.1457 124.5306 52.8274 39.7941 174.3448 147 S 4.7383 8.1786 114.5319 58.2768 63.9499 172.5232 148 Q 4.5381 8.5158 123.4591 55.7790 32.9836 172.1425 149 N 5.1747 8.5068 119.4791 51.4639 41.0482 174.7783 150 V 3.8901 7.9442 121.3407 61.1730 34.0255 173.8496 151 Y 5.2037 8.7427 126.0048 57.1935 39.4309 174.5397 152 I 4.7026 9.2530 127.0333 60.3932 39.2688 175.0498 153 M 5.1937 9.0104 122.6166 53.3361 34.8936 174.5529 154 A 4.2733 8.5461 122.2372 52.3581 19.9987 177.3852 155 D 4.4939 8.7244 118.4310 52.2980 42.0501 175.1987 156 K 4.4517 8.3417 120.3823 56.4440 32.7079 176.8720 157 Q 4.4504 8.0477 115.8234 57.5355 30.0959 178.0058 158 K 4.0518 8.0122 114.5231 57.1077 32.5330 176.4263 159 N 4.2373 7.4829 116.1146 53.6583 38.6532 172.8994 160 G 3.7224 7.7608 110.4892 45.7544 0.0000 173.1014 161 I 5.1354 7.8976 117.9385 59.0734 41.8830 174.5750 162 K 5.0896 9.0961 121.4193 54.6620 35.7853 175.7924 163 V 5.0050 8.6598 122.7123 61.3517 35.3068 173.5708 164 N 5.5528 8.5243 126.2757 52.1925 41.4388 173.1417 165 F 5.0221 7.9414 119.3192 56.1993 41.7403 172.8197 166 K 4.8710 8.8417 118.0227 55.4199 35.7472 175.2891 167 I 4.5092 9.2424 123.9723 59.8407 39.7301 174.6333 168 R 4.7631 8.3855 124.9932 54.9607 31.7615 175.1748 169 H 4.7750 8.8176 122.0026 53.9847 30.8803 174.2657 170 N 4.7243 8.7392 121.3054 53.3100 39.7911 174.0625 171 I 4.9786 8.6329 123.8541 59.3733 39.2584 175.5829 172 E 4.1845 8.3016 122.1783 59.7009 29.3719 178.9267 173 D 4.4925 8.4443 122.0436 54.2223 36.8495 176.8009 174 G 3.6261 7.2998 111.8993 45.9165 0.0000 172.6093 175 S 4.5520 10.1297 115.6750 57.7430 64.3094 172.4622 176 V 4.8295 8.0963 119.6845 61.0824 34.9336 174.6067 177 Q 4.5485 9.5333 128.3357 54.1065 30.4947 174.3790 178 L 4.5027 8.4870 129.4572 55.0779 43.7820 175.6053 179 A 4.4500 8.7434 126.8368 50.2083 21.7901 174.1548 180 D 4.8693 8.3781 121.9577 54.4143 42.7099 175.6981 181 H 4.8899 9.8879 120.5774 53.9828 31.4163 173.6682 182 Y 5.0313 8.6306 119.3419 56.5014 41.5285 174.1992 183 Q 5.7185 9.0571 125.0195 53.5526 33.4699 173.9581 184 Q 4.9806 8.4919 123.8877 55.2754 32.5904 172.5723 185 N 5.7082 9.0609 123.9598 52.0583 41.9557 173.5946 186 T 4.9498 8.9494 115.7570 59.9021 71.6088 170.9066 187 P 4.9777 0.0000 0.0000 63.0129 31.3827 176.4414 188 I 3.9119 9.1570 126.6679 64.0458 37.7471 176.9970 189 G 3.9420 8.0189 109.9594 45.0401 0.0000 172.6417 190 D 4.5508 8.4560 117.5596 55.1017 41.3938 177.4422 191 G 3.9059 7.7117 107.6588 44.1248 0.0000 171.0481 192 P 4.5401 0.0000 0.0000 62.4516 31.9351 176.3530 193 V 4.9536 7.7392 113.2971 58.9889 36.2370 174.3690 194 L 4.4350 10.3411 122.3077 54.0832 43.1453 175.9912 195 L 4.8832 8.5561 124.0081 52.4430 42.9907 174.5507 196 P 4.7887 0.0000 0.0000 61.7584 32.7761 175.6970 197 D 4.6206 7.8026 119.2499 53.4885 41.7482 176.0990 198 N 5.2403 8.7250 118.3591 54.1432 39.3197 174.0239 199 H 4.4432 8.1176 116.1938 55.6230 31.9375 171.5747 200 Y 5.3150 8.6502 116.4297 55.5175 42.1366 173.8984 201 L 4.9285 8.9536 120.9791 54.2948 42.6710 175.2150 202 S 4.9204 8.9419 120.2631 57.0461 63.9926 172.4966 203 Y 5.0852 9.1430 124.7959 55.8666 41.5308 175.1542 204 Q 4.9295 8.4565 119.4992 55.2087 33.1296 173.8831 205 S 5.3084 8.9701 119.1791 56.6800 67.2831 173.3929 206 A 4.6968 8.8090 123.1483 50.4469 22.0694 175.3028 207 L 4.9332 8.4169 122.5366 53.8154 43.7741 175.7538 208 S 4.7820 8.6065 115.2930 57.8968 66.9299 173.0796 209 K 4.8797 8.5453 118.5890 54.5357 35.2657 175.7602 210 D 4.6172 8.8157 123.4771 52.3654 41.8801 174.9146 211 P 4.2646 0.0000 0.0000 66.0939 31.2134 177.3626 212 N 4.3283 8.0393 115.4601 55.4362 38.6083 175.2785 213 E 4.0762 7.7978 119.5255 55.7711 29.9931 176.4413 214 K 4.2497 8.5160 125.2354 57.8376 33.0480 177.4254 215 R 4.2568 8.1803 117.4478 55.0154 31.0624 175.5836 216 D 4.7116 8.6261 119.7982 55.2908 42.1127 174.5853 217 H 4.6923 8.3185 120.9525 54.6979 32.2697 171.8386 218 M 4.5249 7.9177 116.3469 53.2738 35.9029 173.8011 219 V 4.5452 8.6795 125.9878 61.2338 33.8741 174.0674 220 L 5.1735 9.2146 129.9332 53.1078 45.3031 174.4944 221 L 5.1205 8.5859 127.8792 53.3237 44.7025 174.8995 222 E 5.2945 8.7411 124.7653 54.5930 34.3140 175.0375 223 F 5.2053 8.8804 119.6178 55.9950 43.0101 173.9217 224 V 4.1800 9.4930 125.3201 61.1678 34.0557 174.4693 225 T 4.9705 8.4565 123.1530 61.6306 72.6248 172.8876 226 A 4.7726 8.1309 126.8241 51.4781 19.9248 176.3615 227 A 4.3629 8.9844 121.7417 51.3499 22.9590 176.8479 228 G 3.0516 8.9239 106.6297 45.6156 0.0000 174.3392 229 I 3.9105 7.2436 120.3191 63.0842 37.2498 175.9378 230 T 3.5548 8.8056 121.4520 63.8401 68.0137 171.9201 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 3 K 7.74 4.43 0.00 1.86 1.98 0.00 1.08 0.00 0.00 0.66 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.40 7.81 4 G 7.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.20 4.05 0.00 2.03 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 2.41 2.36 0.00 6 E 8.26 4.06 0.00 2.21 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 2.36 2.41 0.00 7 L 7.63 3.97 0.00 1.11 1.00 0.99 0.48 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 8 F 8.22 5.09 0.00 3.10 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 9 T 7.88 4.04 4.50 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 1.25 0.00 0.00 10 G 7.15 4.46 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 11 V 8.48 4.06 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 0.75 0.00 0.00 0.97 0.00 0.00 12 V 9.37 4.65 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 1.23 0.00 0.00 1.30 0.00 0.00 13 P 0.00 4.95 0.00 2.25 2.15 0.00 3.70 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 2.24 2.14 0.00 14 I 8.16 5.76 1.86 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 1.06 1.15 0.97 0.00 0.00 15 L 8.43 5.20 0.00 1.66 1.45 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.19 5.05 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 1.31 0.00 0.00 1.08 0.00 0.00 17 E 9.19 5.26 0.00 1.96 1.84 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 2.27 2.41 0.00 18 L 9.50 5.31 0.00 1.92 1.77 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.17 5.15 0.00 2.53 2.41 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 20 G 8.75 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.86 4.66 0.00 2.56 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 22 V 9.00 4.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.99 0.00 0.00 23 N 9.76 4.30 0.00 2.97 3.00 0.00 0.00 7.03 7.61 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 24 G 8.30 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 25 H 7.85 4.42 0.00 3.42 3.30 0.00 5.58 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.40 4.94 0.00 1.64 1.71 0.00 1.67 0.00 0.00 2.01 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.40 7.81 27 F 8.86 5.08 0.00 3.05 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 9.35 5.38 0.00 3.80 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 29 V 9.09 5.08 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 1.36 0.00 0.00 1.26 0.00 0.00 30 S 9.31 5.27 0.00 3.97 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 31 G 9.70 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 32 E 8.35 5.01 0.00 1.71 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 2.12 2.10 0.00 33 G 8.01 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 0.00 0.00 0.00 0.00 34 E 9.41 4.93 0.00 1.56 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 2.14 2.14 0.00 35 G 9.03 3.16 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 0.00 36 D 9.47 5.20 0.00 2.74 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 37 A 9.25 4.38 1.48 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 0.00 0.00 38 T 8.13 3.69 3.54 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 1.23 0.00 0.00 39 Y 8.23 4.49 0.00 3.20 3.18 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 40 G 8.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.76 4.64 0.00 2.20 1.69 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.91 1.11 7.81 42 L 8.29 4.91 0.00 1.60 1.43 1.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.76 4.84 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 44 L 8.73 4.72 0.00 1.70 1.07 0.74 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.93 4.76 0.00 1.61 1.36 0.00 1.45 0.00 0.00 1.50 0.00 0.00 2.71 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.14 1.27 7.81 46 F 8.75 5.03 0.00 2.78 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 47 I 8.71 5.12 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 1.12 0.68 1.01 0.00 0.00 48 C 9.79 4.97 0.00 3.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.50 4.61 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 1.35 0.00 0.00 50 T 7.99 4.57 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 1.27 0.00 0.00 51 G 7.41 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.49 4.30 0.00 1.72 1.70 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.35 7.81 53 L 9.12 3.81 0.00 0.84 0.92 -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.25 0.00 1.75 1.63 0.00 2.45 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 55 V 6.49 4.14 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 0.39 0.00 0.00 0.50 0.00 0.00 56 P 0.00 4.44 0.00 2.12 1.97 0.00 3.32 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 57 W 9.12 4.40 0.00 3.67 3.42 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 58 P 0.00 4.58 0.00 2.22 2.49 0.00 3.73 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 59 T 7.86 4.39 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 0.86 0.00 0.00 60 L 8.13 4.40 0.00 1.84 0.85 0.60 0.35 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 61 V 7.59 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 0.50 0.00 0.00 1.01 0.00 0.00 62 T 7.89 3.81 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 63 T 7.11 4.04 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 0.87 0.00 0.00 64 F 7.51 4.62 0.00 2.95 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 *68 L 7.65 4.32 0.00 2.03 2.02 1.15 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.91 3.84 0.00 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.93 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 70 C 7.74 4.09 0.00 2.39 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 71 F 8.18 4.43 0.00 3.32 3.16 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 72 A 7.53 4.16 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 73 R 8.62 4.55 0.00 2.16 1.90 0.00 3.01 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 74 Y 8.57 4.38 0.00 2.83 2.87 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 75 P 0.00 4.35 0.00 2.20 2.00 0.00 3.53 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 2.07 2.05 0.00 76 D 9.00 4.42 0.00 2.69 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 77 H 8.38 4.27 0.00 3.31 3.41 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.11 4.59 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.32 0.00 79 K 7.84 4.13 0.00 1.72 1.82 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.75 1.65 7.81 80 R 7.76 3.93 0.00 1.57 1.79 0.00 3.15 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 81 H 7.51 4.70 0.00 3.24 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.20 3.51 0.00 1.72 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 0.00 0.00 0.00 83 F 7.95 4.34 0.00 3.03 2.59 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 0.00 84 F 8.07 4.39 0.00 2.96 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 85 K 7.91 4.14 0.00 1.73 1.96 0.00 1.56 0.00 0.00 1.35 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.80 1.52 7.81 86 S 7.48 4.56 0.00 3.95 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 0.00 87 A 8.34 4.59 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 88 M 7.87 4.93 0.00 2.46 2.48 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.23 2.86 0.00 89 P 0.00 4.66 0.00 2.22 2.16 0.00 3.74 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 2.05 1.92 0.00 90 E 8.41 3.65 0.00 1.98 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 2.35 2.43 0.00 91 G 9.77 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 0.00 0.00 0.00 0.00 92 Y 7.20 5.46 0.00 3.35 3.18 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 93 V 9.15 4.91 2.21 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 1.19 0.00 0.00 1.02 0.00 0.00 94 Q 9.33 5.21 0.00 2.52 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 95 E 9.19 5.35 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 96 R 9.01 5.82 0.00 1.73 1.77 0.00 3.17 0.00 0.00 3.29 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 97 T 8.38 5.05 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 0.35 0.00 0.00 98 I 8.58 5.19 1.82 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 0.75 0.84 0.25 0.00 0.00 99 F 8.55 5.01 0.00 2.89 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 0.00 100 F 10.03 3.56 0.00 3.27 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 0.00 101 K 8.81 4.14 0.00 1.73 1.70 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.53 7.81 102 D 7.87 5.08 0.00 2.71 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 0.00 103 D 8.50 4.26 0.00 2.62 2.54 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 0.00 104 G 8.71 2.87 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 0.00 0.00 0.00 105 N 8.03 5.62 0.00 2.26 2.74 0.00 0.00 7.22 8.91 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 0.00 106 Y 9.58 5.49 0.00 2.77 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 0.00 107 K 9.35 5.06 0.00 1.76 1.65 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.51 7.81 108 T 9.58 5.18 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 109 R 8.76 5.10 0.00 1.92 1.79 0.00 3.06 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 110 A 9.70 5.31 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 0.00 111 E 9.22 4.80 0.00 2.22 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 2.23 2.25 0.00 112 V 8.75 4.66 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 0.81 0.00 0.00 1.06 0.00 0.00 113 K 8.68 4.56 0.00 2.03 1.76 0.00 1.36 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.21 1.39 7.81 114 F 8.48 4.86 0.00 2.70 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 0.00 115 E 9.85 4.53 0.00 1.91 1.89 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 2.24 2.38 0.00 116 G 8.32 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.80 4.59 0.00 2.69 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 0.00 118 T 7.74 4.81 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 1.28 0.00 0.00 119 L 9.00 4.22 0.00 1.00 1.58 0.94 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.48 5.26 2.22 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 1.22 0.00 0.00 1.00 0.00 0.00 121 N 8.47 5.78 0.00 2.91 2.74 0.00 0.00 7.16 7.65 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 0.00 122 R 8.75 5.12 0.00 1.94 1.79 0.00 3.20 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 123 I 9.03 5.84 1.93 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 1.32 0.55 0.94 0.00 0.00 124 E 8.69 5.14 0.00 1.86 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 2.27 2.26 0.00 125 L 8.64 5.03 0.00 1.60 1.28 0.69 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.52 4.72 0.00 1.77 1.63 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.39 7.81 127 G 9.79 5.03 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 0.00 128 I 8.60 5.04 1.91 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 1.26 0.69 0.98 0.00 0.00 129 D 8.68 4.60 0.00 2.63 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 0.00 130 F 7.96 4.69 0.00 3.26 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 0.00 131 K 8.66 4.44 0.00 1.91 1.75 0.00 1.92 0.00 0.00 1.98 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.50 7.81 132 E 8.82 4.05 0.00 2.09 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 2.29 2.25 0.00 133 D 7.99 4.58 0.00 2.80 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 0.00 134 G 7.28 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 0.00 135 N 8.74 4.30 0.00 2.94 2.88 0.00 0.00 6.86 7.51 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 0.00 136 I 7.06 3.76 1.69 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.42 0.30 0.00 0.00 137 L 7.98 3.63 0.00 1.78 1.66 0.95 0.62 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 0.00 138 G 7.46 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 7.42 3.94 0.00 3.18 3.34 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.76 4.69 0.00 1.62 1.80 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.72 7.81 141 L 7.73 4.71 0.00 1.56 1.61 0.82 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 0.00 142 E 8.62 4.27 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 143 Y 8.37 4.59 0.00 3.05 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 0.00 144 N 7.42 5.07 0.00 2.83 2.79 0.00 0.00 6.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.04 4.24 0.00 2.93 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 0.00 146 N 8.15 4.70 0.00 2.66 2.71 0.00 0.00 7.02 7.57 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 0.00 147 S 8.18 4.74 0.00 3.93 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 0.00 148 Q 8.52 4.54 0.00 2.18 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 149 N 8.51 5.17 0.00 1.83 1.87 0.00 0.00 6.62 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 0.00 150 V 7.94 3.89 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 0.84 0.00 0.00 -0.19 0.00 0.00 151 Y 8.74 5.20 0.00 3.12 3.18 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 0.00 152 I 9.25 4.70 1.60 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 1.49 0.84 0.94 0.00 0.00 153 M 9.01 5.19 0.00 2.06 2.44 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 154 A 8.55 4.27 1.22 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 0.00 0.00 155 D 8.72 4.49 0.00 2.69 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 0.00 156 K 8.34 4.45 0.00 1.74 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 157 Q 8.05 4.45 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 158 K 8.01 4.05 0.00 2.17 1.78 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.43 7.81 159 N 7.48 4.24 0.00 2.92 2.86 0.00 0.00 6.90 7.86 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 0.00 160 G 7.76 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 0.00 161 I 7.90 5.14 1.70 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.02 0.40 0.00 0.00 162 K 9.10 5.09 0.00 1.65 1.73 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.33 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.31 7.81 163 V 8.66 5.01 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 1.22 0.00 0.00 1.05 0.00 0.00 164 N 8.52 5.55 0.00 3.07 2.77 0.00 0.00 7.06 6.90 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 0.00 165 F 7.94 5.02 0.00 3.30 3.27 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 0.00 166 K 8.84 4.87 0.00 1.64 1.86 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.41 7.81 167 I 9.24 4.51 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.59 0.00 0.00 168 R 8.39 4.76 0.00 1.61 1.81 0.00 3.16 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 169 H 8.82 4.77 0.00 3.18 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.74 4.72 0.00 2.68 2.73 0.00 0.00 6.95 7.47 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 0.00 171 I 8.63 4.98 2.06 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 1.30 0.61 1.01 0.00 0.00 172 E 8.30 4.18 0.00 2.11 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 2.33 2.28 0.00 173 D 8.44 4.49 0.00 2.93 2.89 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 0.00 174 G 7.30 3.63 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 0.00 0.00 0.00 175 S 10.13 4.55 0.00 3.88 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.10 4.83 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 0.91 0.00 0.00 0.92 0.00 0.00 177 Q 9.53 4.55 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 178 L 8.49 4.50 0.00 1.75 1.47 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 179 A 8.74 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 8.38 4.87 0.00 2.52 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 0.00 0.00 0.00 0.00 181 H 9.89 4.89 0.00 1.40 2.28 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.63 5.03 0.00 2.97 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 0.00 183 Q 9.06 5.72 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 184 Q 8.49 4.98 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 185 N 9.06 5.71 0.00 2.46 2.59 0.00 0.00 5.98 6.71 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 8.95 4.95 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 187 P 0.00 4.98 0.00 2.21 2.18 0.00 3.95 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 188 I 9.16 3.91 1.97 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 1.20 0.60 0.94 0.00 0.00 189 G 8.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 D 8.46 4.55 0.00 2.67 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 0.00 191 G 7.71 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.54 0.00 2.05 1.99 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 193 V 7.74 4.95 2.23 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 0.98 0.00 0.00 1.18 0.00 0.00 194 L 10.34 4.44 0.00 1.74 1.65 0.89 0.62 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 0.00 195 L 8.56 4.88 0.00 1.52 1.60 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.79 0.00 2.29 2.35 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 197 D 7.80 4.62 0.00 2.44 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 0.00 198 N 8.73 5.24 0.00 2.61 2.80 0.00 0.00 7.14 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 0.00 199 H 8.12 4.44 0.00 3.27 3.31 0.00 5.40 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 8.65 5.32 0.00 2.62 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 0.00 201 L 8.95 4.93 0.00 1.51 1.65 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 202 S 8.94 4.92 0.00 3.84 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 0.00 203 Y 9.14 5.09 0.00 2.96 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 0.00 204 Q 8.46 4.93 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 205 S 8.97 5.31 0.00 3.63 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 A 8.81 4.70 1.22 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 0.00 0.00 207 L 8.42 4.93 0.00 0.52 0.83 0.59 0.75 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 0.00 208 S 8.61 4.78 0.00 3.91 3.95 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 0.00 0.00 0.00 209 K 8.55 4.88 0.00 1.63 1.71 0.00 1.48 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.42 1.20 7.81 210 D 8.82 4.62 0.00 2.62 2.44 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 0.00 211 P 0.00 4.26 0.00 2.20 2.18 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 212 N 8.04 4.33 0.00 2.73 2.90 0.00 0.00 7.06 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 E 7.80 4.08 0.00 1.66 1.71 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 1.88 2.40 0.00 214 K 8.52 4.25 0.00 1.77 1.84 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.44 7.81 215 R 8.18 4.26 0.00 1.85 1.92 0.00 3.20 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 216 D 8.63 4.71 0.00 2.89 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 0.00 217 H 8.32 4.69 0.00 3.17 3.16 0.00 5.55 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 0.00 218 M 7.92 4.52 0.00 1.75 0.81 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.26 0.00 219 V 8.68 4.55 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 0.82 0.00 0.00 0.93 0.00 0.00 220 L 9.21 5.17 0.00 1.76 1.63 0.87 0.46 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 0.00 221 L 8.59 5.12 0.00 1.65 1.42 0.24 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 222 E 8.74 5.29 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 223 F 8.88 5.21 0.00 2.93 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 0.00 224 V 9.49 4.18 1.74 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 -0.16 0.00 0.00 0.34 0.00 0.00 225 T 8.46 4.97 4.16 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 1.19 0.00 0.00 226 A 8.13 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 A 8.98 4.36 1.32 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 0.00 0.00 0.00 228 G 8.92 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 0.00 0.00 0.00 229 I 7.24 3.91 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.93 0.00 0.00 230 T 8.81 3.55 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.