NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8198 8.1676 115.8793 57.1827 40.1274 176.4110 11 H 4.0262 5.2900 116.7508 53.9635 29.2513 170.1277 12 E 4.3284 9.4523 122.6514 57.5682 29.9568 176.8455 13 M 4.5447 7.0944 114.5637 55.0267 32.3773 176.4119 14 R 4.5586 7.7050 116.9388 55.6617 32.6042 175.6565 15 E 4.0704 7.9638 117.2407 54.9698 30.2977 174.5767 16 P 4.1833 0.0000 0.0000 62.7475 32.3064 174.9861 17 R 4.1074 7.3656 112.5719 55.6499 32.9173 173.7020 18 I 4.3544 8.5339 121.8484 60.7047 38.2629 175.0009 19 E 4.4871 8.7250 128.7541 54.4767 31.3695 171.8793 20 K 4.6150 8.7346 132.5569 55.5314 34.1159 174.8629 21 V 4.5176 7.8265 119.7236 61.2737 34.7214 173.9770 22 V 4.4619 8.2807 129.0969 61.8061 33.0545 174.9196 23 V 4.6668 8.3899 122.2908 59.9395 33.6065 174.4619 24 H 5.1866 8.8767 125.2440 54.6224 34.0419 172.1459 25 M 4.0949 8.5600 125.1383 53.4924 33.0993 175.4670 26 G 4.0648 8.0025 113.2845 45.7577 0.0000 171.9259 27 I 4.1277 7.5551 122.2989 60.4903 39.5765 176.4030 28 G 4.0856 8.2285 111.6529 45.1829 0.0000 172.7646 29 H 5.0530 7.9618 120.8883 55.6740 29.8206 173.7267 *35 A 4.1724 7.0730 123.7856 52.1851 19.4028 177.2400 36 N 4.4145 8.7214 113.4308 56.5153 36.5813 176.6313 37 A 3.8802 8.0219 122.4811 54.6822 18.3872 178.8878 38 E 3.8939 8.6691 118.0133 59.9237 29.4273 178.9469 39 D 4.4275 7.5788 118.4743 57.7857 40.8943 179.5499 40 I 3.7549 7.7224 112.5615 64.0357 37.5917 177.9846 41 L 4.0866 7.8076 120.8146 57.4567 41.4625 179.5917 42 G 3.6525 8.4459 106.1588 47.8328 0.0000 175.5484 43 E 4.0669 7.8072 119.7836 58.9878 29.7907 178.7751 44 I 3.9128 8.1413 118.1990 63.3288 38.0099 176.5410 45 T 4.5807 8.0944 108.2657 64.0299 70.1378 174.5772 46 G 3.7628 6.8886 108.9478 44.1752 0.0000 173.2462 47 Q 4.5747 7.7214 116.3945 54.2177 31.6311 174.2523 48 M 3.8533 8.5346 118.3993 55.8776 32.4398 174.7470 49 P 4.8552 0.0000 0.0000 61.7012 33.5667 175.1052 50 V 4.4685 8.4179 120.6103 60.8232 34.3775 175.3619 51 R 4.3738 8.7199 125.6319 57.3043 31.2383 176.8452 52 T 4.5249 8.5970 116.9927 61.3557 70.2184 174.0112 53 K 5.3491 8.7543 124.6992 55.8237 33.3207 175.4024 54 A 4.8814 8.5920 122.2226 50.2609 22.1991 175.5954 55 K 4.5672 8.4525 117.5073 55.6462 35.0824 174.8665 56 R 4.1620 8.6503 123.8955 56.3476 29.7076 176.0131 57 T 4.6110 8.2730 117.5591 62.6154 69.8335 174.5526 58 V 4.5522 8.9928 125.4446 60.5774 35.0422 175.9363 59 G 3.8428 8.9270 112.8579 48.7589 0.0000 174.6541 60 E 4.2446 8.1237 118.3966 58.6346 28.2848 176.1335 61 F 4.1624 7.6509 112.4966 60.2506 38.8962 175.0174 62 D 4.9337 7.8870 118.4465 51.8584 40.2407 175.5799 63 I 4.1022 7.6660 114.5578 61.2290 39.4398 177.4571 64 R 3.8598 7.8952 121.6040 56.2918 29.4910 174.7162 65 E 4.0268 8.1919 128.9574 58.5725 29.3286 176.2936 66 G 3.9173 7.9358 111.5357 46.3848 0.0000 171.9469 67 D 4.5769 8.3456 122.5727 51.4706 42.5489 173.3247 68 P 4.5742 0.0000 0.0000 62.6492 31.1741 176.5343 69 I 4.6030 9.0877 127.2539 59.1313 39.2797 174.9969 70 G 4.4331 7.5446 107.0854 43.3787 0.0000 172.3665 71 A 5.8194 8.1508 120.3592 49.7798 23.2917 174.9825 72 K 5.0137 8.3232 116.9093 55.7629 37.2206 175.5842 73 V 4.5001 8.4148 120.3024 61.9649 34.7487 173.2765 74 T 4.6846 8.5277 119.4750 60.6155 69.7469 173.9144 75 L 4.7116 8.5228 127.2276 52.9756 43.9393 176.0699 76 R 4.8141 8.0815 121.0638 54.5193 34.0064 175.9976 77 D 4.5262 8.9439 121.0097 55.7816 38.8585 176.5305 78 E 3.9891 8.9352 124.8260 60.9032 28.6339 178.2014 79 M 4.0514 8.2682 117.9241 58.4927 31.8405 178.5023 80 A 4.3784 7.8791 120.3436 54.8909 18.8700 179.3460 81 E 3.9526 8.0455 116.6561 59.5902 29.5890 179.0361 82 E 4.1481 8.4137 118.5361 59.1439 29.8779 179.1095 83 F 4.3833 7.6045 120.9622 60.7851 39.8481 177.5985 84 L 4.2293 8.2373 118.1131 57.1668 41.0714 178.8252 85 Q 4.0826 8.0957 116.1455 56.5088 28.3177 176.1369 86 T 4.5168 7.6026 108.9901 62.6646 73.8972 174.8790 87 A 3.9493 7.5481 125.6091 54.4604 19.0397 179.1329 88 L 3.5392 8.0258 114.0466 57.4176 41.9793 178.2163 89 P 3.7736 0.0000 0.0000 65.6854 31.2555 177.1400 90 L 4.3597 8.2910 115.4315 54.6535 41.6366 176.1630 91 A 4.8433 8.4691 122.2146 50.4721 21.7694 174.9004 92 E 4.4337 8.1307 116.3160 58.3868 31.8998 176.4276 93 L 3.6621 6.5523 116.9947 51.8098 43.9625 175.7481 94 A 4.4721 8.6143 122.8727 52.6255 20.8318 174.7276 95 T 3.2210 8.6913 111.9131 62.4652 69.7246 173.7908 96 S 3.7867 8.7222 119.0137 60.6349 63.2787 173.6136 97 Q 4.4804 10.7000 119.3634 55.8002 28.4656 174.5898 98 F 4.9675 7.7456 113.9093 54.9140 41.3153 175.0194 99 D 4.6852 9.6050 124.3548 54.3995 41.6800 175.8570 100 D 4.6940 8.5388 119.6029 55.3691 41.2620 177.5771 101 T 4.5555 7.2151 113.4563 62.2701 68.8108 174.6351 102 G 3.9404 8.3238 108.8059 46.6303 0.0000 172.9922 103 N 5.2291 7.7159 116.5495 51.2142 41.9264 173.1900 104 F 4.4696 7.3714 108.6267 56.4162 41.0777 173.0460 105 S 5.0572 8.2663 117.8724 56.4876 65.1405 172.8563 106 F 4.9189 8.7383 120.4914 55.5256 41.5123 172.6127 107 G 4.2044 8.9591 102.3512 44.4005 0.0000 173.4250 *128 L 4.0217 8.5429 123.2911 55.1402 43.6048 176.2357 129 D 4.8715 8.5599 125.8428 52.7960 44.0920 176.1418 130 V 4.2050 7.8670 120.5966 62.0243 34.6007 173.8037 131 T 4.7452 8.7381 125.4414 61.5909 71.6868 173.8953 132 V 4.3598 7.7691 124.1411 61.0928 34.5007 173.5717 133 N 4.8072 8.6419 126.9688 52.2161 40.4047 173.5236 134 L 5.3318 8.2683 125.6538 53.2089 44.7831 175.7923 135 V 4.3041 8.0106 120.7737 61.1949 35.2312 171.8987 136 R 4.4461 8.4357 116.7541 54.8896 31.3708 177.3713 137 P 3.9845 0.0000 0.0000 65.2266 32.1341 177.1575 138 G 4.1581 7.8181 106.6687 45.9950 0.0000 175.3852 139 Y 4.3195 8.1512 122.9842 60.1130 38.9436 176.1255 140 R 3.7785 8.2161 119.4486 59.4231 29.9462 178.1880 141 V 3.5517 7.5058 116.2992 65.2084 31.1741 176.8132 142 A 4.5650 7.6063 119.3843 51.3158 19.6026 177.7549 143 K 4.3088 7.4226 114.8450 55.7339 33.8477 176.3014 144 R 4.2485 7.6624 115.7494 55.6541 30.6418 176.0367 145 D 4.5153 8.3056 116.7692 56.6468 41.3021 177.5153 146 K 3.9903 7.8291 118.3461 57.6545 32.6619 176.8840 147 A 3.7693 8.8518 124.1496 52.5360 16.3484 176.9752 148 S 4.5341 7.1597 111.9471 61.0074 63.3470 173.7485 149 R 4.6409 8.7868 119.9892 54.9399 33.7606 174.0706 150 S 4.3686 8.5877 120.3354 58.1154 63.2520 173.7931 151 I 3.9656 8.2843 127.6710 60.3148 37.8552 174.2783 152 P 4.3861 0.0000 0.0000 62.5474 32.0481 177.2512 153 T 3.9797 8.8913 114.0117 65.4526 67.9971 176.3766 154 K 4.0255 7.9920 119.5771 59.1805 32.2812 177.7332 155 H 4.6012 8.3644 115.8211 55.8156 30.1392 175.1575 156 R 4.2278 7.3105 118.9547 56.4889 30.8058 175.1552 157 L 4.5477 8.1529 120.4950 53.7139 43.3928 175.6492 158 N 4.8059 8.2317 122.7998 51.7455 41.0632 174.4872 159 P 4.3216 0.0000 0.0000 65.8008 31.3893 178.9241 160 A 3.8377 7.8460 118.8292 55.3786 18.7115 179.2522 161 D 4.4312 8.1770 116.1166 56.6418 40.7945 178.7872 162 A 4.2394 7.6176 121.8065 54.9104 18.9712 179.2852 163 V 3.1503 7.4284 116.4612 66.5681 31.3038 177.5105 164 A 3.8919 7.9840 119.9375 54.9956 17.9176 178.9041 165 F 4.1148 7.8471 117.2029 61.7249 39.7864 177.8417 166 I 3.4704 7.8818 118.6799 64.4006 36.8279 177.8715 167 E 4.4880 8.1598 120.4018 58.5497 29.3096 177.6039 168 S 4.5531 7.9382 111.7735 57.9332 64.7272 175.0715 169 T 4.7647 7.8380 113.0316 62.5319 70.4926 173.2283 170 Y 3.3690 7.8286 117.0063 57.6920 35.0513 168.7077 171 D 4.3982 6.7668 117.0191 53.9622 43.5479 175.4644 172 V 4.7413 7.9006 117.0234 61.1246 35.6614 178.3315 173 E 4.3677 8.9912 122.4475 56.4820 28.7449 177.3178 174 V 3.9538 7.7320 116.5893 63.7846 31.7849 175.1107 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 10 F 8.17 4.82 0.00 3.36 3.38 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 11 H 5.29 4.03 0.00 3.07 2.31 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.45 4.33 0.00 1.64 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 2.06 2.16 0.00 13 M 7.09 4.54 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 14 R 7.71 4.56 0.00 1.76 1.96 0.00 3.42 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 15 E 7.96 4.07 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 16 P 0.00 4.18 0.00 0.94 1.65 0.00 3.63 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 2.11 1.99 0.00 17 R 7.37 4.11 0.00 1.80 1.81 0.00 2.73 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 18 I 8.53 4.35 1.99 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 1.46 0.91 0.98 0.00 0.00 19 E 8.72 4.49 0.00 1.84 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 2.20 2.22 0.00 20 K 8.73 4.62 0.00 2.10 1.98 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.32 7.81 21 V 7.83 4.52 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 0.98 0.00 0.00 0.97 0.00 0.00 22 V 8.28 4.46 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 0.88 0.00 0.00 0.85 0.00 0.00 23 V 8.39 4.67 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 -0.07 0.00 0.00 0.73 0.00 0.00 24 H 8.88 5.19 0.00 3.19 2.97 0.00 5.55 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 25 M 8.56 4.09 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 26 G 8.00 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 27 I 7.56 4.13 1.77 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 1.10 0.71 0.75 0.00 0.00 28 G 8.23 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 29 H 7.96 5.05 0.00 3.22 3.36 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.07 4.17 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 36 N 8.72 4.41 0.00 2.92 3.14 0.00 0.00 5.86 7.46 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 37 A 8.02 3.88 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 38 E 8.67 3.89 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 39 D 7.58 4.43 0.00 2.77 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 40 I 7.72 3.75 1.88 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 1.93 1.13 0.91 0.00 0.00 41 L 7.81 4.09 0.00 1.87 1.72 0.92 0.75 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 42 G 8.45 3.65 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 0.00 0.00 0.00 43 E 7.81 4.07 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 44 I 8.14 3.91 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.88 1.07 0.00 0.00 45 T 8.09 4.58 4.11 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 0.94 0.00 0.00 46 G 6.89 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 0.00 0.00 0.00 47 Q 7.72 4.57 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 48 M 8.53 3.85 0.00 2.01 2.07 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 2.61 2.59 0.00 49 P 0.00 4.86 0.00 1.90 1.94 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 50 V 8.42 4.47 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 1.00 0.00 0.00 0.91 0.00 0.00 51 R 8.72 4.37 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 T 8.60 4.52 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 1.21 0.00 0.00 53 K 8.75 5.35 0.00 1.63 1.75 0.00 1.73 0.00 0.00 2.36 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.59 4.88 1.24 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 55 K 8.45 4.57 0.00 1.61 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 R 8.65 4.16 0.00 1.99 2.01 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 57 T 8.27 4.61 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 1.24 0.00 0.00 58 V 8.99 4.55 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 59 G 8.93 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 0.00 0.00 0.00 60 E 8.12 4.24 0.00 2.14 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 2.31 2.34 0.00 61 F 7.65 4.16 0.00 3.04 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 62 D 7.89 4.93 0.00 2.95 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 63 I 7.67 4.10 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 1.05 0.00 0.00 64 R 7.90 3.86 0.00 1.77 2.06 0.00 3.20 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 65 E 8.19 4.03 0.00 2.02 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 2.29 2.32 0.00 66 G 7.94 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 67 D 8.35 4.58 0.00 2.65 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 68 P 0.00 4.57 0.00 1.94 2.04 0.00 3.61 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 2.01 2.11 0.00 69 I 9.09 4.60 1.96 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 1.14 1.10 0.92 0.00 0.00 70 G 7.54 4.43 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 0.00 71 A 8.15 5.82 1.24 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 72 K 8.32 5.01 0.00 1.74 1.87 0.00 1.44 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.37 7.81 73 V 8.41 4.50 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 0.82 0.00 0.00 0.86 0.00 0.00 74 T 8.53 4.68 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 75 L 8.52 4.71 0.00 1.49 1.54 0.50 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.08 4.81 0.00 1.63 1.78 0.00 3.30 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 77 D 8.94 4.53 0.00 2.89 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 0.00 0.00 0.00 78 E 8.94 3.99 0.00 2.02 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 2.42 0.00 79 M 8.27 4.05 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 80 A 7.88 4.38 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 81 E 8.05 3.95 0.00 2.15 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 2.45 2.65 0.00 82 E 8.41 4.15 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 83 F 7.60 4.38 0.00 3.47 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 84 L 8.24 4.23 0.00 1.92 1.79 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.10 4.08 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 86 T 7.60 4.52 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 1.13 0.00 0.00 87 A 7.55 3.95 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 88 L 8.03 3.54 0.00 1.66 1.68 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 3.77 0.00 2.12 2.13 0.00 3.66 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 2.12 0.00 90 L 8.29 4.36 0.00 1.78 1.74 0.91 0.68 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 91 A 8.47 4.84 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 92 E 8.13 4.43 0.00 1.94 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 2.20 2.29 0.00 93 L 6.55 3.66 0.00 1.74 1.80 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.61 4.47 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.69 3.22 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 1.13 0.00 0.00 96 S 8.72 3.79 0.00 4.22 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 0.00 97 Q 10.70 4.48 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 98 F 7.75 4.97 0.00 3.09 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.61 4.69 0.00 2.61 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 0.00 100 D 8.54 4.69 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.22 4.56 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 1.24 0.00 0.00 102 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 0.00 103 N 7.72 5.23 0.00 2.96 2.81 0.00 0.00 6.60 8.13 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 0.00 104 F 7.37 4.47 0.00 2.48 1.64 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 0.00 105 S 8.27 5.06 0.00 3.76 3.66 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 0.00 106 F 8.74 4.92 0.00 3.16 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 0.00 107 G 8.96 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 0.00 0.00 0.00 0.00 *128 L 8.54 4.02 0.00 1.75 1.60 0.94 1.15 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 0.00 129 D 8.56 4.87 0.00 2.72 2.43 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 0.00 130 V 7.87 4.20 0.98 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 0.90 0.00 0.00 0.91 0.00 0.00 131 T 8.74 4.75 4.07 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 1.08 0.00 0.00 132 V 7.77 4.36 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 1.08 0.00 0.00 0.76 0.00 0.00 133 N 8.64 4.81 0.00 2.81 2.89 0.00 0.00 6.53 6.03 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 0.00 134 L 8.27 5.33 0.00 1.74 1.52 1.33 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.01 4.30 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.71 0.00 0.00 136 R 8.44 4.45 0.00 1.81 1.96 0.00 2.98 0.00 0.00 2.93 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 137 P 0.00 3.98 0.00 2.27 2.14 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 138 G 7.82 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 0.00 0.00 0.00 0.00 139 Y 8.15 4.32 0.00 3.00 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 0.00 140 R 8.22 3.78 0.00 1.93 1.94 0.00 3.25 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 141 V 7.51 3.55 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 0.98 0.00 0.00 0.96 0.00 0.00 142 A 7.61 4.57 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 0.00 143 K 7.42 4.31 0.00 1.59 1.77 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.72 1.34 7.81 144 R 7.66 4.25 0.00 1.90 1.94 0.00 3.11 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.55 0.00 145 D 8.31 4.52 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.83 3.99 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.42 7.81 147 A 8.85 3.77 1.28 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 0.00 0.00 0.00 148 S 7.16 4.53 0.00 3.90 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.79 4.64 0.00 1.80 1.72 0.00 3.08 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 150 S 8.59 4.37 0.00 3.91 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 0.00 151 I 8.28 3.97 1.98 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 1.44 1.14 1.05 0.00 0.00 152 P 0.00 4.39 0.00 2.22 2.00 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 153 T 8.89 3.98 4.27 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 1.23 0.00 0.00 154 K 7.99 4.03 0.00 1.77 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 8.36 4.60 0.00 3.09 3.45 0.00 5.95 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.31 4.23 0.00 2.09 1.89 0.00 3.41 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 1.91 1.75 0.00 157 L 8.15 4.55 0.00 1.66 1.72 0.89 0.55 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 0.00 158 N 8.23 4.81 0.00 3.22 2.72 0.00 0.00 6.59 7.91 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 0.00 159 P 0.00 4.32 0.00 2.16 2.25 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.43 0.00 160 A 7.85 3.84 1.28 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 0.00 0.00 0.00 161 D 8.18 4.43 0.00 2.71 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 0.00 162 A 7.62 4.24 1.56 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 0.00 163 V 7.43 3.15 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 0.70 0.00 0.00 0.26 0.00 0.00 164 A 7.98 3.89 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 0.00 165 F 7.85 4.11 0.00 3.10 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.88 3.47 1.82 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.84 0.88 0.00 0.00 167 E 8.16 4.49 0.00 1.87 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 0.00 2.27 2.14 0.00 168 S 7.94 4.55 0.00 3.86 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 0.00 169 T 7.84 4.76 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 1.17 0.00 0.00 170 Y 7.83 3.37 0.00 3.02 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 0.00 171 D 6.77 4.40 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 0.00 172 V 7.90 4.74 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 0.89 0.00 0.00 173 E 8.99 4.37 0.00 1.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.20 0.00 174 V 7.73 3.95 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 0.94 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.