NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 D 4.6187 8.2233 120.5194 54.2525 42.8090 177.3999 18 Q 3.2939 7.8488 118.1215 58.1587 28.4996 176.8849 19 M 3.6877 7.8001 119.8805 57.9832 32.5999 177.8142 20 E 3.8579 7.7925 119.1844 59.4894 29.8964 178.8026 21 T 4.0277 8.9382 110.9836 64.6496 68.6531 176.7837 22 S 4.1320 7.8052 117.4936 61.6114 62.8576 175.6675 23 Y 4.1217 8.0693 122.1780 60.9700 38.4546 178.4606 24 V 3.6397 8.1404 118.9057 66.2215 31.4828 178.1681 25 S 4.2527 8.4831 115.1055 61.5005 62.6873 176.4670 26 L 4.1268 8.4010 123.4115 57.9748 41.8975 178.9104 27 K 3.7966 8.3042 120.0275 59.8668 31.9090 178.9342 28 T 3.9130 7.9861 115.0622 66.2727 68.1517 176.2255 29 W 4.1279 7.8939 130.4346 60.2530 30.6314 178.1059 30 I 3.1332 8.1444 120.1467 64.4776 36.3905 178.3142 31 E 3.9048 7.8996 117.5039 58.8745 29.2845 178.1760 32 D 4.6473 7.2378 116.0551 53.2529 41.3634 176.5018 33 S 4.3810 6.9076 115.0368 56.3526 64.7134 174.2443 34 L 3.8622 8.3376 121.7975 55.7031 43.2581 177.2739 35 D 4.2775 8.6563 125.3923 57.7216 40.5964 178.8976 36 L 3.7662 7.5524 118.8652 57.9624 42.1519 178.2762 37 F 4.8146 7.3079 116.4730 59.4262 39.4757 177.7124 38 K 3.8469 8.3360 119.8238 59.6384 31.6836 178.2857 39 N 4.3517 7.9830 115.7356 56.6294 38.5575 176.5585 40 D 4.6285 8.0589 118.1540 56.3799 41.5077 178.2377 41 L 4.3520 7.8323 119.7218 57.2528 41.8459 178.8544 42 L 3.9801 8.4642 119.3038 57.6717 41.5119 177.7492 43 P 4.3319 0.0000 0.0000 65.6616 31.0226 178.2453 44 L 4.2327 8.1435 119.2145 57.9780 41.9728 178.8757 45 L 4.1410 8.3287 119.2671 57.7237 41.4268 178.7208 46 Y 3.8681 7.8345 118.7000 60.0489 38.8249 175.9206 47 P 3.9950 0.0000 0.0000 65.8874 31.0570 177.9422 48 L 4.0861 7.8272 120.0608 57.7150 42.0151 178.6205 49 F 4.1590 8.2986 120.6546 61.5642 39.3484 177.2256 50 I 2.7848 7.1476 119.2117 64.2078 36.6210 178.2513 51 H 4.1733 7.9484 117.0469 58.9056 28.5373 177.9473 52 I 3.6251 8.0454 121.9322 64.2561 36.8267 177.6558 53 Y 4.1436 7.6191 120.3592 61.0166 38.5501 178.4980 54 F 4.3620 7.8927 118.4527 60.6083 38.8801 177.5296 55 D 4.3785 8.3225 118.6233 57.2383 40.5907 178.7445 56 L 3.8807 7.9205 119.4950 57.7994 41.5666 179.4917 57 I 3.5875 7.4850 119.6118 64.7178 36.8613 178.6221 58 Q 4.0050 8.3581 117.3146 58.3985 28.4551 177.7358 59 Q 4.3491 7.9764 117.8296 54.6600 29.5342 175.3586 60 N 4.1675 8.1863 115.8758 55.0079 37.3013 175.4435 61 K 4.6818 7.9058 113.8861 54.9944 32.9146 178.0822 62 T 3.9584 7.6811 118.1661 66.4552 68.8591 176.3515 63 D 4.4294 8.0467 120.6293 57.5576 40.9477 178.4888 64 E 4.0509 8.2088 118.3602 59.0647 29.4829 179.1475 65 A 4.1555 7.9751 120.6129 55.0869 18.5074 179.7905 66 K 4.0800 8.3239 116.9962 59.7935 32.2552 179.4010 67 E 4.0607 8.5294 118.8857 59.4630 29.5048 179.1272 68 F 4.3308 8.8416 121.0664 61.3654 39.5614 176.9406 69 F 3.9559 8.6481 120.1562 61.4979 39.0039 177.0654 70 E 4.0482 8.2755 116.7916 59.1585 29.2773 178.9722 71 K 3.8578 7.8200 119.0743 58.5656 32.6622 177.5159 72 Y 4.4460 7.3342 114.2147 57.6062 38.8876 177.8448 73 R 3.4899 7.5815 117.9191 58.9142 29.1907 178.8646 74 G 3.6733 7.9110 105.1687 47.8386 0.0000 174.8234 75 D 4.5104 7.7501 119.4058 56.0937 42.0025 176.6477 76 H 4.7339 7.5781 119.1182 55.0161 28.1710 175.7286 77 Y 4.2860 7.7061 116.2413 58.7852 38.5327 176.8812 78 N 4.3167 7.1154 117.0947 54.4496 39.4499 175.3627 79 K 4.5132 7.3958 118.8507 55.2565 33.0221 178.4425 80 S 4.0575 8.2908 114.4456 61.9830 62.5495 174.8023 81 E 3.9898 8.0417 120.1812 58.9938 29.2473 179.0738 82 E 4.1357 7.9068 119.9156 58.7320 29.7350 178.8673 83 I 4.1266 7.7604 119.6121 64.5863 36.9249 178.5980 84 K 4.2377 7.6685 118.3759 59.6937 31.7140 179.1933 85 Q 4.1701 7.7321 117.0757 58.5624 28.5398 178.3159 86 F 4.9843 7.9904 117.9658 59.0435 39.0955 177.7271 87 E 3.4547 8.1120 115.9595 58.5577 29.5085 178.3027 88 S 4.2630 7.9730 112.7892 59.9376 63.5917 174.1967 89 I 4.1447 7.6194 122.2893 61.2806 35.8359 174.7585 90 Y 4.4444 8.8802 123.5973 58.6404 39.3354 176.5587 91 T 4.7028 7.4642 108.8179 58.6711 73.4004 174.5991 92 V 3.4936 8.2344 120.3558 66.3493 31.4134 177.7772 93 Q 3.9467 7.9492 118.5555 59.4251 28.8468 177.8078 94 H 4.4009 7.8425 117.2787 59.1496 28.5891 177.5203 95 I 3.5234 7.4695 120.1138 65.0334 36.9911 177.5614 96 H 4.3691 7.8136 117.1845 58.8147 29.7402 176.7849 97 E 4.2166 7.9017 119.9933 57.3529 29.7282 176.4295 98 N 4.5862 8.1425 119.1876 52.3865 39.6752 175.1850 99 N 4.4867 8.4461 124.3290 56.4044 38.9910 176.6441 100 F 4.6261 8.2779 119.7523 60.6559 38.9244 177.4627 101 A 4.5118 8.5595 119.9089 55.3139 18.2569 178.6591 102 Y 4.0383 8.2558 118.0829 61.4369 38.7524 178.3069 103 T 3.8947 8.8636 116.8435 67.0014 68.3970 176.1698 104 F 4.1757 8.0669 120.9589 61.0195 39.6303 176.7644 105 K 4.1764 8.5066 118.7403 60.3328 32.0012 177.1944 106 N 4.4454 7.8366 116.3243 53.6952 38.5334 175.8513 107 S 4.2716 6.8996 118.6214 58.6841 64.2555 174.6777 108 K 4.4293 8.2248 120.5024 56.3062 33.2633 175.7316 109 Y 4.4079 8.7620 125.3893 56.8756 40.2177 173.9693 110 H 5.1479 8.1846 124.1151 55.1236 30.0358 174.6501 111 L 5.0480 9.1094 122.2623 52.9537 46.1342 175.2530 112 S 5.2294 8.6735 115.0692 57.0084 65.1757 173.1516 113 M 5.0778 9.0178 125.2967 53.7204 36.8476 175.0614 114 G 4.1569 9.6850 112.8634 45.5701 0.0000 174.6760 115 R 4.0481 8.4664 120.3783 59.2716 29.9443 178.6456 116 Y 3.9551 8.1948 118.9933 60.3690 38.9188 177.4137 117 A 3.9458 8.2170 121.3536 55.0429 18.5357 178.9886 118 F 4.1475 8.3846 119.1554 61.7915 39.4963 176.9765 119 D 4.1991 8.6368 118.6902 57.3322 40.5800 178.7889 120 L 3.9572 7.9780 119.5688 57.7223 41.5788 179.3850 121 L 3.8799 8.3990 120.3874 58.4042 42.1918 179.1974 122 I 3.5188 7.6542 119.8711 64.0436 36.7924 178.3224 123 N 4.1776 8.0242 117.5089 56.1005 38.4099 177.0208 124 F 3.6922 7.9156 121.9215 61.3150 39.3548 176.9316 125 L 3.6849 7.9332 118.6906 57.9093 41.0852 179.4684 126 E 3.9536 7.8764 117.8668 58.9375 29.3441 178.8589 127 E 3.8590 8.0267 118.2492 58.8465 29.5609 178.3873 128 R 4.0402 7.2747 115.5334 54.7834 30.6819 175.4771 129 N 4.0383 7.2558 113.1139 54.5530 37.3328 176.4581 130 L 4.4083 7.4465 118.3198 53.9767 38.9096 177.1663 131 T 4.0154 7.5986 111.9914 64.0810 69.4806 176.3739 132 Y 3.9792 7.9358 122.6885 60.7767 38.9696 177.5484 133 I 3.6288 7.8212 120.2475 64.4131 37.2658 178.2635 134 L 3.9240 7.8528 119.8221 57.4951 41.3932 179.4673 135 K 3.8060 7.9825 119.6084 59.5404 32.0711 178.9675 136 I 3.5231 7.3414 120.0369 63.9816 36.4191 178.0448 137 L 3.9425 7.9018 121.1900 58.4505 41.7347 178.9238 138 N 4.3524 7.9838 114.8788 56.1162 38.5224 176.9273 139 Q 4.0419 7.8339 119.7850 58.5188 29.6011 175.9637 140 H 4.9501 8.6491 114.0877 55.1794 31.0655 173.3666 141 L 5.1254 7.6600 117.8979 52.9182 44.0587 175.8958 142 D 4.7101 9.2170 123.5913 52.8031 42.6806 174.5984 143 I 4.7595 8.1399 127.0727 59.3255 38.7974 175.5643 144 K 4.0733 8.9133 130.5396 56.0025 33.1454 175.9327 145 V 4.5579 8.1145 128.6687 61.2527 31.8025 174.5117 146 Y 4.2203 8.9087 131.0508 57.7185 39.6766 175.1171 147 V 4.1447 7.3660 118.7792 59.9298 35.3090 176.8029 148 G 3.8645 8.3847 111.8657 44.2935 0.0000 172.1471 149 P 4.4288 0.0000 0.0000 62.9622 31.6326 175.9386 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 17 D 8.22 4.62 0.00 2.71 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 18 Q 7.85 3.29 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 19 M 7.80 3.69 0.00 1.51 1.67 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 1.97 0.81 0.00 20 E 7.79 3.86 0.00 1.84 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 2.60 2.76 0.00 21 T 8.94 4.03 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 1.26 0.00 0.00 22 S 7.81 4.13 0.00 4.21 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 0.00 23 Y 8.07 4.12 0.00 3.28 3.26 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 24 V 8.14 3.64 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.18 0.00 0.00 25 S 8.48 4.25 0.00 4.19 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 0.00 26 L 8.40 4.13 0.00 1.89 1.81 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.30 3.80 0.00 1.43 1.81 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.39 1.34 7.81 28 T 7.99 3.91 4.37 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 1.28 0.00 0.00 29 W 7.89 4.13 0.00 2.99 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 30 I 8.14 3.13 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 1.57 0.76 0.82 0.00 0.00 31 E 7.90 3.90 0.00 2.03 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 2.30 2.59 0.00 32 D 7.24 4.65 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 6.91 4.38 0.00 3.74 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.34 3.86 0.00 1.78 1.38 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.66 4.28 0.00 2.61 2.64 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 36 L 7.55 3.77 0.00 1.26 0.93 0.81 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 37 F 7.31 4.81 0.00 3.07 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 38 K 8.34 3.85 0.00 1.79 1.91 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.41 7.81 39 N 7.98 4.35 0.00 2.75 2.89 0.00 0.00 7.09 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 40 D 8.06 4.63 0.00 2.92 2.86 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 41 L 7.83 4.35 0.00 1.84 1.77 0.78 0.79 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 42 L 8.46 3.98 0.00 1.65 1.76 0.96 1.00 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 43 P 0.00 4.33 0.00 2.29 2.26 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 44 L 8.14 4.23 0.00 1.91 1.92 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.33 4.14 0.00 1.97 1.88 0.81 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.83 3.87 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 3.99 0.00 2.27 1.66 0.00 3.93 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.86 0.00 48 L 7.83 4.09 0.00 1.90 1.98 1.19 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.30 4.16 0.00 3.28 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.15 2.78 0.73 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.24 -1.48 0.00 0.00 51 H 7.95 4.17 0.00 3.51 3.45 0.00 5.62 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 52 I 8.05 3.63 1.71 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 1.26 0.92 -0.04 0.00 0.00 53 Y 7.62 4.14 0.00 2.71 2.62 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 54 F 7.89 4.36 0.00 3.16 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 55 D 8.32 4.38 0.00 2.81 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 56 L 7.92 3.88 0.00 1.72 1.80 0.74 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.49 3.59 1.84 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.33 0.77 0.00 0.00 58 Q 8.36 4.00 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.29 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 59 Q 7.98 4.35 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 60 N 8.19 4.17 0.00 2.83 2.85 0.00 0.00 6.65 7.82 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 61 K 7.91 4.68 0.00 1.86 1.68 0.00 1.61 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.53 7.81 62 T 7.68 3.96 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 1.41 0.00 0.00 63 D 8.05 4.43 0.00 2.72 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 64 E 8.21 4.05 0.00 2.01 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 2.43 2.40 0.00 65 A 7.98 4.16 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 66 K 8.32 4.08 0.00 2.10 2.00 0.00 1.93 0.00 0.00 2.20 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.74 7.81 67 E 8.53 4.06 0.00 2.33 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 2.40 2.56 0.00 68 F 8.84 4.33 0.00 3.27 3.41 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 69 F 8.65 3.96 0.00 3.02 3.09 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 70 E 8.28 4.05 0.00 2.04 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 2.69 2.55 0.00 71 K 7.82 3.86 0.00 1.73 1.60 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 1.03 7.81 72 Y 7.33 4.45 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.58 3.49 0.00 1.76 1.65 0.00 2.64 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 74 G 7.91 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.75 4.51 0.00 2.61 2.62 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 76 H 7.58 4.73 0.00 3.05 3.10 0.00 5.62 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 77 Y 7.71 4.29 0.00 3.06 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 78 N 7.12 4.32 0.00 2.28 2.64 0.00 0.00 6.78 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 79 K 7.40 4.51 0.00 1.38 1.24 0.00 1.09 0.00 0.00 1.31 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.88 0.21 7.81 80 S 8.29 4.06 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 81 E 8.04 3.99 0.00 1.99 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 2.37 2.37 0.00 82 E 7.91 4.14 0.00 2.08 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 2.48 2.20 0.00 83 I 7.76 4.13 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.26 0.93 0.00 0.00 84 K 7.67 4.24 0.00 1.87 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.66 7.81 85 Q 7.73 4.17 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 86 F 7.99 4.98 0.00 3.46 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 87 E 8.11 3.45 0.00 2.15 2.48 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 2.55 2.31 0.00 88 S 7.97 4.26 0.00 4.08 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 89 I 7.62 4.14 2.17 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.87 0.00 0.00 90 Y 8.88 4.44 0.00 2.94 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.46 4.70 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 1.18 0.00 0.00 92 V 8.23 3.49 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 0.98 0.00 0.00 0.91 0.00 0.00 93 Q 7.95 3.95 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 94 H 7.84 4.40 0.00 3.36 3.35 0.00 5.72 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 95 I 7.47 3.52 1.89 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.35 0.63 0.00 0.00 96 H 7.81 4.37 0.00 3.10 3.45 0.00 5.75 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.90 4.22 0.00 2.20 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 2.52 0.00 98 N 8.14 4.59 0.00 2.82 2.87 0.00 0.00 6.80 6.54 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 99 N 8.45 4.49 0.00 2.73 2.58 0.00 0.00 7.18 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.28 4.63 0.00 3.27 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 0.00 101 A 8.56 4.51 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.26 4.04 0.00 3.08 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 0.00 103 T 8.86 3.89 4.71 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 1.37 0.00 0.00 104 F 8.07 4.18 0.00 3.51 3.53 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 0.00 105 K 8.51 4.18 0.00 1.99 1.80 0.00 1.83 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.60 7.81 106 N 7.84 4.45 0.00 2.45 2.55 0.00 0.00 7.07 7.42 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 0.00 107 S 6.90 4.27 0.00 3.93 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 0.00 108 K 8.22 4.43 0.00 1.56 1.69 0.00 1.72 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.34 7.81 109 Y 8.76 4.41 0.00 2.98 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 0.00 110 H 8.18 5.15 0.00 2.85 3.16 0.00 5.89 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.11 5.05 0.00 1.66 1.64 1.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.67 5.23 0.00 3.86 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 0.00 113 M 9.02 5.08 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 114 G 9.68 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 0.00 115 R 8.47 4.05 0.00 2.16 2.05 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 116 Y 8.19 3.96 0.00 3.12 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.22 3.95 1.59 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 0.00 0.00 118 F 8.38 4.15 0.00 3.27 3.25 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 0.00 119 D 8.64 4.20 0.00 2.72 2.53 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 0.00 120 L 7.98 3.96 0.00 1.99 2.07 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.40 3.88 0.00 1.85 1.80 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.65 3.52 1.47 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.54 0.71 0.00 0.00 123 N 8.02 4.18 0.00 2.85 2.93 0.00 0.00 6.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 7.92 3.69 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.93 3.68 0.00 1.56 1.59 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.88 3.95 0.00 1.98 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 2.20 2.39 0.00 127 E 8.03 3.86 0.00 1.64 1.86 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 2.25 2.40 0.00 128 R 7.27 4.04 0.00 1.04 1.26 0.00 3.27 0.00 0.00 2.91 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.46 0.00 129 N 7.26 4.04 0.00 2.75 2.76 0.00 0.00 6.89 7.54 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 0.00 130 L 7.45 4.41 0.00 1.62 1.62 0.85 0.46 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 0.00 131 T 7.60 4.02 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 1.18 0.00 0.00 132 Y 7.94 3.98 0.00 3.12 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 0.00 133 I 7.82 3.63 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.65 0.95 0.00 0.00 134 L 7.85 3.92 0.00 1.64 1.65 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.98 3.81 0.00 1.84 1.76 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.39 7.81 136 I 7.34 3.52 1.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.45 0.79 0.00 0.00 137 L 7.90 3.94 0.00 1.81 1.82 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 138 N 7.98 4.35 0.00 2.67 2.82 0.00 0.00 7.08 7.21 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 0.00 139 Q 7.83 4.04 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 1.73 2.20 0.00 140 H 8.65 4.95 0.00 3.03 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.66 5.13 0.00 1.74 1.66 1.01 1.04 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 0.00 142 D 9.22 4.71 0.00 2.50 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 0.00 0.00 0.00 0.00 143 I 8.14 4.76 1.94 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 1.36 0.84 0.98 0.00 0.00 144 K 8.91 4.07 0.00 1.86 1.72 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.40 7.81 145 V 8.11 4.56 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 0.56 0.00 0.00 -0.03 0.00 0.00 146 Y 8.91 4.22 0.00 3.17 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 0.00 147 V 7.37 4.14 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 0.73 0.00 0.00 0.72 0.00 0.00 148 G 8.38 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 0.00 149 P 0.00 4.43 0.00 2.23 2.09 0.00 3.92 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 2.03 2.04 0.00