NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6013 8.4201 119.2044 54.0018 39.7444 175.4541 0 A 4.4731 8.4834 113.2663 51.3427 19.1657 174.5970 2 E 4.4998 7.9506 122.3867 54.7830 32.1439 175.2713 3 N 4.1900 9.0479 122.9819 56.8382 39.1061 175.8344 4 Q 4.0943 8.1565 116.8407 59.1196 29.2583 179.2621 5 K 4.0603 7.4583 118.5093 56.4152 31.2346 178.1134 *7 Q 4.2625 8.0819 116.8005 54.8522 30.6525 175.5951 8 E 4.0087 7.7216 119.5445 55.1214 30.0745 174.8329 9 P 4.3251 0.0000 0.0000 62.6227 32.0324 175.3444 10 L 4.4806 8.1550 121.8591 53.0761 44.1456 175.8522 11 V 3.9307 7.8391 124.9838 60.6193 33.9589 174.4921 12 Y 4.3448 8.1811 125.0588 58.3171 38.2892 175.9800 13 R 4.3425 9.3818 123.3483 57.2887 31.3360 177.0585 14 R 4.6694 8.6414 117.5792 55.2090 34.5724 174.0618 15 I 4.8243 8.9605 125.8753 59.3752 40.0040 174.5328 16 L 5.0226 9.0173 129.2954 53.2809 44.4478 174.5629 17 L 4.9467 8.9147 129.9443 54.0789 43.6791 174.9851 18 T 5.0484 8.5803 123.6889 62.1287 69.9236 174.6124 19 V 4.5888 8.7669 119.4557 59.7064 35.4355 175.0795 20 D 5.0819 8.3185 122.2188 51.9599 41.7413 175.5829 21 E 4.3607 8.5404 117.5374 57.1615 29.8959 176.1396 22 D 4.7643 8.1974 119.3689 53.2548 42.2420 175.3267 23 D 4.9407 8.0490 120.9394 52.7374 43.1017 176.0507 24 N 4.6263 8.0636 119.7136 51.4352 40.8986 175.6679 25 T 3.9033 8.2340 116.8812 66.9160 68.2384 177.1045 26 S 4.1547 8.0630 116.9076 61.5063 62.8972 176.7395 27 S 4.2024 8.7013 117.3305 61.2087 62.7357 176.1116 28 E 4.0564 8.2518 122.9640 59.3944 29.4256 179.1842 29 R 3.9997 8.4278 118.0317 59.0256 29.9942 178.9328 30 A 4.0770 8.4914 121.1844 55.0477 18.3274 179.4169 31 F 4.0707 8.5014 119.1315 61.6531 39.4721 177.6107 32 R 3.8018 8.4858 117.9121 59.2032 29.7440 178.4689 33 Y 4.0085 8.5379 119.5453 60.7287 38.8286 177.9600 34 A 3.7515 8.2530 122.0973 55.2568 18.3995 179.6326 35 T 3.7446 7.7555 108.2952 64.7086 68.9900 177.3096 36 T 3.7384 7.9705 119.0162 66.2238 68.4615 176.2161 37 L 3.9170 7.8104 122.1047 58.2405 42.1970 178.9106 38 A 4.0373 8.0483 120.7826 55.2718 17.7203 179.1704 39 H 4.0227 8.5786 117.1520 59.7024 29.8179 177.4265 40 D 4.2384 8.4221 119.5789 56.7445 40.6998 176.7964 41 Y 4.3628 7.9292 113.8413 56.8198 39.0846 174.7253 42 D 4.4105 7.6785 117.7647 55.6308 39.7156 172.8093 43 V 4.6845 7.6958 111.3068 58.7905 36.1238 175.9715 44 P 4.7586 0.0000 0.0000 62.6381 32.8671 174.9999 45 L 5.2504 9.1937 124.8108 53.2832 45.2999 175.2076 46 G 3.8266 9.3394 113.2621 44.1952 0.0000 172.0060 47 I 4.9321 8.5712 125.0084 59.5802 39.7239 174.0680 48 C 5.7918 9.0219 128.1404 57.0729 34.4400 172.4880 49 S 5.1291 8.4175 117.9507 57.0778 66.4463 172.1621 50 V 4.9440 8.1892 121.3789 60.8531 34.2304 174.1643 51 L 4.4751 9.0597 130.5863 54.3600 43.3561 175.0281 52 E 4.9575 8.7502 126.0526 55.2156 30.6495 176.4258 53 S 4.2100 8.5476 120.4905 58.3705 63.4137 175.7670 54 E 4.5115 8.6518 127.9705 55.7142 28.6852 177.1729 *64 P 4.5226 0.0000 0.0000 63.4772 33.5634 178.6555 65 S 4.1827 7.9522 112.9707 61.0256 62.6119 176.4845 66 K 3.9309 8.0942 123.1964 59.3695 32.0364 178.6485 67 I 3.6959 7.6801 112.9898 64.1985 37.4515 177.8123 68 Q 3.9268 8.2772 121.0812 58.4919 28.7818 178.0484 69 A 3.9962 7.8759 121.9281 54.9432 18.4342 179.7265 70 K 3.9550 8.3437 117.3337 59.5415 32.0408 179.5744 71 R 3.8866 8.2518 119.1534 59.3624 30.0501 178.4370 72 K 4.0561 8.3630 119.7278 59.6675 32.0528 178.1836 73 H 4.1472 8.3486 118.6080 59.2742 29.8366 177.4361 74 V 3.5465 7.8228 119.9571 66.0750 31.3170 177.6373 75 E 3.9874 8.4331 118.5558 59.7445 29.3311 179.2489 76 D 4.3400 8.5184 119.1811 57.1439 40.9809 178.9635 77 V 3.5085 7.9221 118.9485 66.0910 31.5007 178.3470 78 V 3.7777 8.0390 117.7754 65.9664 31.2844 177.8077 79 A 4.0042 8.4459 121.0371 54.9994 18.1360 179.2869 80 E 3.7989 8.2952 117.8851 59.6612 29.6801 178.6149 81 Y 3.9432 7.8063 116.4171 60.9951 37.8206 178.8528 82 V 3.6928 8.2604 119.3989 66.0065 31.6403 177.6725 83 Q 4.2683 8.2716 120.8667 58.7904 28.8985 178.5221 84 L 4.0539 8.1903 119.6325 57.7746 41.7261 179.4081 85 A 4.1984 8.6971 120.9751 55.2083 18.0059 179.5357 86 E 3.9887 8.6177 117.3868 59.7874 29.3361 179.6460 87 Q 4.0492 8.1661 117.0835 58.8603 28.8286 178.5295 88 R 4.1068 7.9147 118.8762 57.6592 30.1144 177.2320 89 G 4.0855 7.7881 106.1996 45.0619 0.0000 173.6177 90 V 3.7177 7.4595 119.8103 62.6679 31.7914 176.0558 91 N 4.4274 8.8508 125.1920 55.6318 38.8518 174.6521 92 Q 4.5915 7.9744 119.0654 54.2088 31.9990 174.3237 93 V 5.1772 8.4710 125.8551 59.9092 34.3616 174.6993 94 E 4.9418 9.1840 121.8667 53.6853 33.2263 172.9959 95 P 4.7530 0.0000 0.0000 63.0306 32.7377 176.3566 96 L 4.7355 9.0065 122.3841 52.8432 42.9755 173.3983 97 V 4.6782 8.0061 120.5793 61.6963 32.7891 174.0873 98 Y 4.7819 8.9123 124.9833 56.0883 41.9323 174.1930 99 E 5.0736 8.5851 120.7093 54.4442 33.0857 174.6915 100 G 3.8719 8.3526 112.2101 46.3956 0.0000 174.7312 101 G 3.5585 9.0620 108.5550 47.9254 0.0000 174.0463 102 D 4.8201 7.7381 120.9060 51.4289 43.5466 176.2480 103 V 3.3810 8.3718 126.6529 66.2415 31.3505 177.5647 104 D 4.2851 8.1137 117.9437 57.5798 40.7960 178.3917 105 D 4.3001 8.2011 119.0062 57.0689 40.6842 178.9782 106 V 3.5266 7.8464 118.9351 66.0219 31.4393 178.2434 107 I 3.4994 7.7487 119.5327 64.3973 36.7396 178.5110 108 L 3.9763 7.9282 118.7130 57.1529 41.5926 178.5081 109 E 4.3971 8.5428 117.0141 56.9249 30.3491 176.6994 110 Q 4.4842 7.5881 115.0070 57.3196 30.9079 177.8531 111 V 3.0234 7.4765 118.7711 65.8674 31.5275 178.1449 112 I 3.7158 7.8404 119.7855 64.1416 36.7963 176.8703 113 P 4.2585 0.0000 0.0000 65.0932 31.2045 178.3107 114 E 4.2168 7.9578 117.0411 59.1901 29.7886 178.3825 115 F 4.4223 8.6364 119.0424 58.1184 40.4027 175.0920 116 K 3.8230 8.2322 117.2805 56.7507 29.7687 173.2454 117 P 4.5768 0.0000 0.0000 62.8310 32.3706 175.8846 118 D 4.9655 8.9271 117.5222 53.2175 41.2373 175.3921 119 L 4.7530 7.6270 121.7763 53.3669 45.7108 174.0659 120 L 5.0529 8.7393 128.4975 53.4321 44.1861 174.8956 121 V 4.8529 8.9406 126.5005 61.5672 34.1446 174.1484 122 T 4.8163 8.6282 120.5946 60.5473 71.3975 173.1006 123 G 4.1010 8.7148 113.4755 45.9563 0.0000 174.5811 124 A 4.2005 8.8931 125.1124 54.3198 18.5088 178.5436 125 D 4.6363 7.8287 113.4788 54.7766 41.8902 177.0527 126 T 4.0326 7.5872 118.0921 63.7626 68.5434 173.0480 127 E 4.8774 8.5260 122.3503 55.3195 32.9237 174.0577 128 F 4.9258 8.4036 118.0824 54.9555 42.1091 174.6573 129 P 4.3704 0.0000 0.0000 65.1414 31.4372 176.7289 130 H 5.0204 8.2511 115.3406 55.2509 29.0603 174.5172 131 S 4.2851 7.7555 114.1398 58.1164 63.3341 174.2686 132 K 3.9815 8.8305 124.7381 59.2181 32.0660 177.0761 133 I 4.3210 7.4999 117.9410 59.3680 38.4915 175.4053 134 A 4.1645 8.3502 128.2624 52.9239 19.2609 176.5073 135 G 3.7388 8.6338 105.0118 43.1606 0.0000 172.6305 136 A 4.2204 8.3466 122.2011 52.3420 18.7853 178.5879 137 I 4.0268 8.8366 124.0035 63.5810 37.9696 178.2982 138 G 3.7023 8.1089 106.5283 47.6232 0.0000 173.7960 139 P 4.3194 0.0000 0.0000 64.8514 31.3229 179.0518 140 R 3.9415 7.9172 116.7240 59.2767 30.0035 178.8675 141 L 3.9851 8.2182 118.7239 57.6610 41.3544 179.2646 142 A 3.9562 8.1594 120.3788 55.2079 18.2974 179.4259 143 R 3.9798 7.6668 115.8631 59.0700 30.3310 178.0568 144 K 4.3020 7.8106 115.7665 56.3431 33.2978 177.1056 145 A 4.2249 7.5896 122.0994 51.3929 18.8851 175.2493 146 P 4.6532 0.0000 0.0000 62.6379 31.6870 174.9544 147 I 4.7314 7.1415 111.5032 58.8523 41.0833 175.0525 148 S 4.3768 8.1937 117.8340 58.8255 63.8595 174.1195 149 V 4.7389 8.1328 122.1254 61.2444 34.4557 173.9690 150 I 4.3431 8.7329 128.4447 59.1341 40.4090 174.0953 151 V 4.6035 8.3150 129.3665 61.4431 32.6235 174.6760 152 V 4.1629 8.6366 129.3005 61.4501 33.3348 176.2807 153 R 4.5236 8.2900 124.5807 55.4740 30.5771 175.4715 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 N 8.42 4.60 0.00 2.68 2.66 0.00 0.00 6.82 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 0 A 8.48 4.47 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 E 7.95 4.50 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 3 N 9.05 4.19 0.00 2.67 2.87 0.00 0.00 7.17 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 4 Q 8.16 4.09 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.52 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 5 K 7.46 4.06 0.00 1.94 1.89 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.40 7.81 *7 Q 8.08 4.26 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 8 E 7.72 4.01 0.00 1.85 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 2.28 2.25 0.00 9 P 0.00 4.33 0.00 2.04 1.95 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 10 L 8.15 4.48 0.00 1.40 1.32 0.73 0.04 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 11 V 7.84 3.93 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 0.44 0.00 0.00 0.56 0.00 0.00 12 Y 8.18 4.34 0.00 3.01 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 13 R 9.38 4.34 0.00 1.76 1.96 0.00 3.30 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 14 R 8.64 4.67 0.00 1.63 1.57 0.00 2.93 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 15 I 8.96 4.82 1.92 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 1.31 0.92 0.90 0.00 0.00 16 L 9.02 5.02 0.00 1.87 1.55 0.71 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.91 4.95 0.00 1.74 1.45 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.58 5.05 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 1.32 0.00 0.00 19 V 8.77 4.59 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 0.03 0.00 0.00 0.93 0.00 0.00 20 D 8.32 5.08 0.00 2.29 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 0.00 0.00 0.00 21 E 8.54 4.36 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 22 D 8.20 4.76 0.00 2.73 2.55 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 23 D 8.05 4.94 0.00 2.61 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 24 N 8.06 4.63 0.00 2.93 2.87 0.00 0.00 6.28 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 25 T 8.23 3.90 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 26 S 8.06 4.15 0.00 3.97 4.15 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 27 S 8.70 4.20 0.00 4.17 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 28 E 8.25 4.06 0.00 2.13 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 0.00 2.42 2.44 0.00 29 R 8.43 4.00 0.00 2.00 2.01 0.00 3.21 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 30 A 8.49 4.08 1.44 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 0.00 0.00 31 F 8.50 4.07 0.00 3.34 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.49 3.80 0.00 1.98 2.01 0.00 3.29 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 33 Y 8.54 4.01 0.00 3.06 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 34 A 8.25 3.75 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.76 3.74 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 0.52 0.00 0.00 36 T 7.97 3.74 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 37 L 7.81 3.92 0.00 1.25 1.51 0.80 1.34 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 38 A 8.05 4.04 1.40 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 0.00 0.00 39 H 8.58 4.02 0.00 3.18 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.42 4.24 0.00 2.42 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 0.00 0.00 0.00 41 Y 7.93 4.36 0.00 3.13 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 42 D 7.68 4.41 0.00 2.77 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 43 V 7.70 4.68 2.33 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 0.92 0.00 0.00 1.04 0.00 0.00 44 P 0.00 4.76 0.00 2.14 2.03 0.00 3.81 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 2.07 2.22 0.00 45 L 9.19 5.25 0.00 1.74 1.51 0.90 1.23 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 46 G 9.34 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 0.00 0.00 0.00 47 I 8.57 4.93 1.88 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 1.10 0.84 0.80 0.00 0.00 48 C 9.02 5.79 0.00 2.81 2.66 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 49 S 8.42 5.13 0.00 3.98 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.19 4.94 1.49 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 0.70 0.00 0.00 0.72 0.00 0.00 51 L 9.06 4.48 0.00 1.80 1.54 0.96 0.84 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 52 E 8.75 4.96 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 53 S 8.55 4.21 0.00 3.78 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 54 E 8.65 4.51 0.00 1.96 1.52 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 2.33 2.34 0.00 *64 P 0.00 4.52 0.00 2.20 2.14 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 65 S 7.95 4.18 0.00 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 0.00 66 K 8.09 3.93 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 67 I 7.68 3.70 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 1.53 0.47 0.95 0.00 0.00 68 Q 8.28 3.93 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 69 A 7.88 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.34 3.96 0.00 1.97 1.91 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.71 7.81 71 R 8.25 3.89 0.00 1.88 2.14 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 72 K 8.36 4.06 0.00 2.06 1.81 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 73 H 8.35 4.15 0.00 3.38 3.51 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.82 3.55 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 1.04 0.00 0.00 1.00 0.00 0.00 75 E 8.43 3.99 0.00 2.25 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 2.33 2.41 0.00 76 D 8.52 4.34 0.00 2.83 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 0.00 77 V 7.92 3.51 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 1.18 0.00 0.00 0.82 0.00 0.00 78 V 8.04 3.78 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 1.14 0.00 0.00 1.00 0.00 0.00 79 A 8.45 4.00 1.40 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 0.00 0.00 80 E 8.30 3.80 0.00 2.03 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 0.00 2.03 2.21 0.00 81 Y 7.81 3.94 0.00 3.26 2.95 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 82 V 8.26 3.69 2.28 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 1.13 0.00 0.00 1.04 0.00 0.00 83 Q 8.27 4.27 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 84 L 8.19 4.05 0.00 1.81 1.82 0.47 0.61 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 85 A 8.70 4.20 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 0.00 0.00 0.00 0.00 0.00 86 E 8.62 3.99 0.00 2.24 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 0.00 2.37 2.53 0.00 87 Q 8.17 4.05 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 88 R 7.91 4.11 0.00 1.97 2.21 0.00 3.22 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 89 G 7.79 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.46 3.72 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 0.84 0.00 0.00 0.97 0.00 0.00 91 N 8.85 4.43 0.00 2.76 2.87 0.00 0.00 6.81 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 92 Q 7.97 4.59 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 93 V 8.47 5.18 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 0.88 0.00 0.00 0.99 0.00 0.00 94 E 9.18 4.94 0.00 2.05 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 2.25 2.19 0.00 95 P 0.00 4.75 0.00 2.11 2.11 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 96 L 9.01 4.74 0.00 1.61 1.77 0.16 0.78 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 97 V 8.01 4.68 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 0.80 0.00 0.00 0.95 0.00 0.00 98 Y 8.91 4.78 0.00 2.81 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 99 E 8.59 5.07 0.00 1.92 1.76 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 2.18 2.29 0.00 100 G 8.35 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 9.06 3.56 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 0.00 0.00 0.00 102 D 7.74 4.82 0.00 2.75 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 0.00 103 V 8.37 3.38 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 0.27 0.00 0.00 0.47 0.00 0.00 104 D 8.11 4.29 0.00 3.01 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 0.00 105 D 8.20 4.30 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 0.00 106 V 7.85 3.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 107 I 7.75 3.50 1.90 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 1.36 0.50 0.83 0.00 0.00 108 L 7.93 3.98 0.00 1.62 1.70 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.54 4.40 0.00 1.98 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 2.26 2.31 0.00 110 Q 7.59 4.48 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 111 V 7.48 3.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 -0.04 0.00 0.00 112 I 7.84 3.72 1.91 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 0.52 0.91 0.00 0.00 113 P 0.00 4.26 0.00 2.03 2.12 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 114 E 7.96 4.22 0.00 2.19 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 2.42 2.47 0.00 115 F 8.64 4.42 0.00 2.97 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 0.00 116 K 8.23 3.82 0.00 1.76 1.77 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.53 7.81 117 P 0.00 4.58 0.00 2.40 2.34 0.00 3.92 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 118 D 8.93 4.97 0.00 2.86 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 0.00 119 L 7.63 4.75 0.00 0.66 1.20 0.44 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.74 5.05 0.00 1.73 1.46 0.89 0.53 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 0.00 121 V 8.94 4.85 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 1.13 0.00 0.00 1.06 0.00 0.00 122 T 8.63 4.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 123 G 8.71 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.89 4.20 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.83 4.64 0.00 2.65 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 0.00 126 T 7.59 4.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 127 E 8.53 4.88 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 128 F 8.40 4.93 0.00 3.07 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 0.00 129 P 0.00 4.37 0.00 1.99 2.12 0.00 3.91 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 130 H 8.25 5.02 0.00 3.30 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.76 4.29 0.00 4.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.83 3.98 0.00 1.76 1.90 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 133 I 7.50 4.32 1.89 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 1.36 0.73 0.92 0.00 0.00 134 A 8.35 4.16 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 0.00 135 G 8.63 3.74 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 0.00 0.00 0.00 136 A 8.35 4.22 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.84 4.03 2.05 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 1.51 1.69 1.10 0.00 0.00 138 G 8.11 3.70 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 0.00 0.00 0.00 139 P 0.00 4.32 0.00 2.17 2.10 0.00 3.82 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 2.10 2.16 0.00 140 R 7.92 3.94 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 141 L 8.22 3.99 0.00 1.82 1.70 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.16 3.96 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 0.00 143 R 7.67 3.98 0.00 1.85 2.12 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 144 K 7.81 4.30 0.00 1.85 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.54 7.81 145 A 7.59 4.22 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.65 0.00 2.19 2.15 0.00 3.70 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 1.95 1.94 0.00 147 I 7.14 4.73 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.99 0.00 0.00 148 S 8.19 4.38 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.13 4.74 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 0.75 0.00 0.00 1.03 0.00 0.00 150 I 8.73 4.34 1.72 0.00 0.00 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 0.85 1.11 0.84 0.00 0.00 151 V 8.32 4.60 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 0.80 0.00 0.00 0.89 0.00 0.00 152 V 8.64 4.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.74 0.00 0.00 153 R 8.29 4.52 0.00 1.77 1.75 0.00 3.33 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.