NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2893 8.3031 122.0300 56.1553 33.0937 175.3591 3 G 3.6490 8.6402 115.4741 44.7547 0.0000 171.3725 4 D 4.4761 8.7092 121.4082 53.8811 42.1962 175.7188 5 K 3.9511 8.8766 126.4019 59.5063 32.2633 178.9841 6 K 3.9980 8.0798 118.3395 58.7826 32.0079 179.4473 7 V 3.5190 7.7853 118.8117 66.0825 31.5976 178.1549 8 I 3.8011 7.8370 119.4546 64.2743 36.8291 178.0845 9 Q 4.0066 7.7882 120.4543 58.8652 28.8422 177.5152 10 H 4.0716 8.0597 117.3789 58.9043 28.7833 177.4976 11 L 3.9861 8.2919 120.9888 58.1824 41.4267 179.5385 12 N 4.4397 8.1295 116.0347 56.0339 38.3952 177.4754 13 K 3.9396 8.0324 121.2880 59.4694 32.2552 179.0801 14 I 3.7443 8.0416 120.3782 64.1202 36.9429 177.8721 15 L 4.0281 8.4279 121.8822 58.3952 41.2923 179.4197 16 G 3.5833 8.2646 105.5574 47.7463 0.0000 175.4115 17 N 4.3654 8.1464 118.7874 56.1962 38.5635 177.2576 18 E 3.9492 8.3376 119.9528 59.5224 29.0837 179.3363 19 L 4.0391 8.2162 119.1972 57.8712 41.5103 179.8379 20 I 3.7297 7.4439 118.5137 64.1059 37.1653 178.2260 21 A 3.2585 7.6757 121.3962 54.7830 18.1076 179.4038 22 I 3.5659 7.8845 118.7572 65.0311 37.2824 178.4408 23 N 4.4427 7.7242 115.7205 56.0319 38.3664 177.5368 24 Q 3.8714 8.1954 121.4251 59.4513 29.1475 177.8182 25 Y 4.8018 8.2547 119.4158 60.3992 37.8453 178.1703 26 F 4.0853 8.3919 122.0414 61.0128 39.5219 177.0487 27 L 3.9591 8.2085 120.0337 58.5118 41.8522 178.5252 28 H 3.8756 8.0587 116.0973 58.7861 28.5425 177.4166 29 S 4.3568 8.4822 115.2089 61.9465 62.2298 176.7361 30 R 3.8351 7.8333 120.1898 58.9570 29.7732 179.0926 31 M 3.4784 8.0822 119.2578 57.9653 31.8561 178.6157 32 W 4.5510 7.9768 119.2093 60.0405 29.2098 178.3529 33 N 4.4025 8.4840 116.5163 56.4374 37.7781 177.0294 34 D 4.3937 7.9710 118.2147 56.6107 41.3569 177.4870 35 W 4.9102 7.8973 117.3887 57.0785 29.4965 177.2117 36 G 4.0526 8.2172 107.4617 45.3784 0.0000 174.7812 37 L 4.5722 8.0719 122.1784 53.6113 40.2092 177.2475 38 K 4.0850 8.5872 121.6105 58.3011 32.4637 178.8458 39 R 3.8616 7.8217 119.3801 59.1941 29.9887 178.1807 40 L 3.7257 7.8025 118.4649 57.6755 41.5198 179.6397 41 G 3.7264 8.3198 105.4055 47.8443 0.0000 175.6097 42 A 4.0669 8.3154 123.9542 55.1409 18.5497 179.2472 43 H 3.9743 8.4351 116.9103 59.2888 29.6451 177.1504 44 E 4.0494 8.6025 121.4671 59.1444 29.4422 178.0349 45 Y 4.2050 8.2607 119.8463 60.9821 38.8249 177.6006 46 H 3.9131 8.3346 119.1127 59.2731 30.0241 177.0841 47 E 3.8187 8.0630 120.0623 59.2869 29.2116 179.1109 48 S 4.3097 8.2999 113.2206 61.6952 62.4638 176.3939 49 I 3.5815 7.7083 122.4016 64.3440 36.6995 178.0075 50 D 4.2636 7.8779 119.7483 57.5519 40.6010 178.9084 51 E 4.0019 7.9801 118.4304 59.5401 29.4682 179.0348 52 M 4.0356 8.1669 118.8570 58.5434 31.9807 179.0485 53 K 4.0140 7.9748 118.4548 59.5230 32.2481 178.9952 54 H 4.1928 8.3445 116.5102 58.9122 28.5934 177.4427 55 A 3.9923 8.3918 122.7770 55.2796 18.2167 179.1075 56 D 4.2508 8.0649 116.3472 57.6092 41.3555 178.6611 57 K 4.0192 8.0547 118.8911 59.4185 31.9004 179.4263 58 L 4.0265 7.9451 119.3448 57.8011 41.5833 179.4929 59 I 3.7152 8.0058 119.9449 64.4517 37.0356 178.3521 60 E 4.0153 8.2710 119.4476 59.3522 29.2471 179.4725 61 R 4.0472 8.0355 118.7085 59.3340 30.2138 178.3468 62 I 3.6948 8.0461 119.9798 64.5812 37.0959 178.2754 63 L 4.0118 7.9688 119.5169 57.8674 41.2409 179.4426 64 F 4.2955 8.1804 119.3756 61.1814 39.6780 176.4536 65 L 3.8068 8.2916 116.7143 54.6738 41.1772 177.6096 66 E 3.9192 8.0100 119.2476 56.4368 28.6289 174.3446 67 G 3.9318 8.1253 107.1770 44.0397 0.0000 172.9564 68 L 4.6290 8.1045 118.8675 52.1828 43.3713 174.8362 69 P 4.4941 0.0000 0.0000 62.0403 32.0094 176.0659 70 N 4.5992 9.1695 122.7064 52.7122 37.8189 173.9862 71 L 4.5411 8.2527 123.8118 54.4927 42.1561 177.3935 72 Q 4.1730 8.7029 122.3259 57.6045 29.6128 175.7008 73 D 4.5415 8.1598 117.9404 53.1036 41.3056 175.2458 74 L 4.5370 8.3117 126.5401 52.7455 43.6379 176.6732 75 G 3.8091 8.3642 116.4704 44.9658 0.0000 171.0560 76 K 4.2091 8.3419 120.7921 55.2840 32.7255 177.1305 77 L 4.0580 8.4015 126.7686 54.5981 42.1900 176.8364 78 L 4.3998 8.5756 123.9940 53.4252 41.1183 175.8113 79 I 4.3387 8.0582 124.9761 59.1800 38.1425 176.6553 80 G 3.9198 8.7096 114.9304 45.2322 0.0000 172.4409 81 E 4.7244 8.7593 115.1861 55.6616 30.8434 175.3618 82 N 5.0948 7.6627 117.1532 50.8266 41.9605 174.9982 83 T 4.3226 8.5238 110.6114 64.9483 68.9716 176.1371 84 Q 3.9618 8.1969 121.9841 59.1642 29.0228 178.0126 85 E 3.9830 8.6892 120.1964 59.5587 29.6842 178.6706 86 M 3.9517 8.3146 118.9055 58.2694 31.8317 178.7777 87 L 4.1972 8.2823 119.3075 57.7898 41.7358 179.3051 88 Q 3.9722 8.1467 119.5165 59.2871 29.0370 178.0188 89 C 4.2209 8.4562 118.0712 62.9661 28.1801 175.8152 90 D 4.7007 8.4094 120.4881 57.3224 40.4078 178.6004 91 L 4.0122 8.2796 121.0176 58.3110 42.1254 178.7438 92 N 4.3701 8.6091 116.8475 56.3127 38.5017 177.1197 93 L 4.0294 7.9410 121.2182 58.2123 42.0781 178.9701 94 E 4.1171 8.4090 118.6499 59.3711 29.5355 179.2160 95 L 4.0069 8.0380 119.1365 57.6631 41.6926 179.5105 96 K 3.9564 8.1703 119.3755 59.4513 32.1742 178.7686 97 A 4.2036 8.0996 121.0818 55.5246 18.2978 179.7880 98 T 3.8734 8.2675 114.5660 66.5317 68.3195 176.9079 99 K 3.9708 8.0401 121.4074 59.6720 32.2613 178.6788 100 D 4.4005 8.2609 119.1753 57.2264 40.6045 178.8176 101 L 4.0052 8.0592 119.6018 57.8184 41.5948 179.6211 102 R 3.9184 8.0079 118.0051 59.4175 30.0524 179.0418 103 E 3.9412 8.0082 118.0500 59.2862 29.4490 179.2060 104 A 3.5337 8.0788 120.8396 54.9827 18.4134 179.7932 105 I 3.6166 7.9680 118.4563 64.5654 37.2458 178.5202 106 V 3.5830 7.8965 119.1855 66.5663 31.1883 177.6057 107 H 4.0719 7.9684 117.1458 59.1851 29.6941 176.7496 108 C 3.9493 8.1514 118.6917 62.9044 27.9444 175.8006 109 E 3.8233 8.2780 120.4107 59.4888 29.0755 178.4207 110 Q 3.8286 7.4526 118.2471 59.0599 29.1965 178.9184 111 V 3.9916 7.1991 108.9904 60.6020 32.0099 175.5846 112 H 3.1295 7.6744 114.7007 57.2060 26.4960 176.2214 113 D 4.5417 7.7343 120.9790 53.5324 38.7141 175.3427 114 Y 4.3562 7.6182 121.7030 60.1204 38.4262 177.3741 115 V 3.6878 7.8869 119.2855 66.1027 31.7611 178.1027 116 S 4.2298 8.6621 115.0164 61.2267 62.5807 176.5307 117 R 3.9191 7.9843 121.5356 59.4458 29.8347 178.3208 118 D 4.3268 8.1544 118.6043 57.2945 40.9104 178.1755 119 L 3.9462 7.8147 120.8005 58.5947 41.9456 179.2311 120 L 4.0378 8.0724 118.5324 57.5354 41.5522 179.3861 121 K 3.9824 8.3368 119.7992 59.2393 32.1795 178.7959 122 D 4.3520 8.2453 119.5448 57.1770 40.7214 178.4850 123 I 3.4689 7.7212 120.3407 64.3025 37.0548 178.0797 124 L 3.9180 8.0329 121.0586 58.2389 41.9235 178.5096 125 E 3.9166 8.2374 119.1408 59.4195 29.4929 178.8203 126 S 4.0787 8.0048 112.8430 61.4314 62.5014 175.9828 127 E 3.9632 8.5221 121.7539 59.4657 29.1537 179.2415 128 E 4.0739 8.6485 119.0922 59.2014 29.4690 179.1576 129 E 4.0287 8.3577 118.8384 59.7754 29.4782 178.9632 130 H 4.3812 8.3678 116.1980 59.1204 28.7864 177.9344 131 I 3.7821 7.9722 121.5128 64.2679 36.8474 177.8365 132 D 4.3225 8.3020 118.9474 57.5407 40.9754 177.6244 133 Y 4.1012 8.1837 119.7568 60.8503 38.8353 178.0986 134 L 3.5035 8.2913 120.0626 57.8326 41.6901 179.5253 135 E 3.9394 8.6089 118.8293 59.5857 29.2678 179.5548 136 T 3.8303 8.1104 116.2204 66.7017 68.4799 176.7897 137 Q 3.7507 7.8978 120.2233 58.5905 28.4628 178.7989 138 L 3.8611 7.6556 120.3083 57.5777 41.6087 179.4944 139 G 3.6655 8.2550 106.0828 47.9548 0.0000 175.6477 140 L 3.9523 7.9836 121.4295 57.3952 41.6311 179.3308 141 I 3.5135 7.2024 119.7888 64.6977 36.8276 178.3736 142 Q 3.9621 7.4331 117.0468 59.0311 28.6287 178.8359 143 K 4.1688 8.1557 118.4225 58.3808 32.2287 178.7907 144 V 4.3194 8.2929 109.9527 59.6789 33.4629 176.9815 145 G 4.0891 7.6951 104.5781 45.8063 0.0000 174.6201 146 L 3.9470 8.4456 121.5841 58.2038 42.3009 179.2862 147 E 3.9841 8.1575 118.0491 59.4302 29.3907 179.0436 148 N 4.3502 8.1075 116.1038 56.4203 38.5136 176.6549 149 Y 4.0138 7.8668 119.7416 60.6677 39.1492 177.7457 150 L 4.0598 8.3807 120.2568 57.8331 41.6155 179.1071 151 Q 3.9027 8.0623 119.4309 59.3331 28.7553 178.0796 152 S 4.4093 7.7324 112.9213 59.5103 63.3440 174.2659 153 H 4.6682 7.7312 118.8425 55.7020 29.8675 175.8558 154 M 4.0874 7.9764 121.7107 58.4041 31.9735 176.0279 155 H 5.1604 7.5763 114.0055 53.9122 30.8179 174.9321 156 E 4.1308 8.6611 121.2405 56.7832 29.3289 176.8505 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 2 K 8.30 4.29 0.00 1.98 1.74 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.03 7.81 3 G 8.64 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 4 D 8.71 4.48 0.00 2.79 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 5 K 8.88 3.95 0.00 1.93 1.77 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.10 7.81 6 K 8.08 4.00 0.00 2.11 1.63 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.53 1.06 7.81 7 V 7.79 3.52 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 1.05 0.00 0.00 0.96 0.00 0.00 8 I 7.84 3.80 1.98 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 1.38 0.88 0.89 0.00 0.00 9 Q 7.79 4.01 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 10 H 8.06 4.07 0.00 3.37 3.30 0.00 5.69 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 11 L 8.29 3.99 0.00 1.80 1.74 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.13 4.44 0.00 2.89 2.85 0.00 0.00 6.71 8.01 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 13 K 8.03 3.94 0.00 1.91 2.00 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.04 3.74 1.88 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 1.42 0.43 0.92 0.00 0.00 15 L 8.43 4.03 0.00 1.81 1.89 0.92 1.00 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 16 G 8.26 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.15 4.37 0.00 2.99 2.89 0.00 0.00 7.00 7.53 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 18 E 8.34 3.95 0.00 2.12 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 2.57 2.53 0.00 19 L 8.22 4.04 0.00 1.78 1.69 0.90 0.85 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 20 I 7.44 3.73 1.95 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 1.42 0.78 0.90 0.00 0.00 21 A 7.68 3.26 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.88 3.57 1.96 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 1.54 0.67 0.87 0.00 0.00 23 N 7.72 4.44 0.00 2.80 2.84 0.00 0.00 6.76 7.63 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 24 Q 8.20 3.87 0.00 2.06 1.92 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 2.39 2.35 0.00 25 Y 8.25 4.80 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.39 4.09 0.00 3.33 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 27 L 8.21 3.96 0.00 1.83 1.67 0.87 0.87 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 28 H 8.06 3.88 0.00 3.51 3.00 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.48 4.36 0.00 4.05 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 30 R 7.83 3.84 0.00 1.85 1.86 0.00 2.91 0.00 0.00 2.49 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 31 M 8.08 3.48 0.00 0.79 1.67 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.08 0.00 32 W 7.98 4.55 0.00 3.71 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.48 4.40 0.00 2.87 2.85 0.00 0.00 6.68 8.17 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 34 D 7.97 4.39 0.00 2.59 2.63 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 35 W 7.90 4.91 0.00 3.80 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 36 G 8.22 4.05 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 37 L 8.07 4.57 0.00 2.12 1.64 1.27 1.00 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 38 K 8.59 4.09 0.00 1.91 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.63 7.81 39 R 7.82 3.86 0.00 1.89 1.92 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 L 7.80 3.73 0.00 1.39 0.23 0.48 0.18 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 41 G 8.32 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 0.00 0.00 0.00 42 A 8.32 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.44 3.97 0.00 3.26 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.60 4.05 0.00 2.53 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 2.80 2.65 0.00 45 Y 8.26 4.21 0.00 3.04 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 46 H 8.33 3.91 0.00 3.26 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.06 3.82 0.00 2.14 1.77 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 2.38 2.26 0.00 48 S 8.30 4.31 0.00 4.13 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 49 I 7.71 3.58 1.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.28 0.78 0.00 0.00 50 D 7.88 4.26 0.00 2.96 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 51 E 7.98 4.00 0.00 2.10 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 2.74 2.51 0.00 52 M 8.17 4.04 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 53 K 7.97 4.01 0.00 1.93 1.84 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.53 7.81 54 H 8.34 4.19 0.00 3.50 3.41 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.39 3.99 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 56 D 8.06 4.25 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.05 4.02 0.00 2.00 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 58 L 7.95 4.03 0.00 1.89 1.72 0.96 0.72 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 59 I 8.01 3.72 2.01 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 1.52 0.92 0.92 0.00 0.00 60 E 8.27 4.02 0.00 2.28 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 2.34 2.33 0.00 61 R 8.04 4.05 0.00 2.00 2.10 0.00 3.36 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.05 3.69 2.02 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 0.53 0.91 0.00 0.00 63 L 7.97 4.01 0.00 2.08 1.78 0.97 0.93 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 64 F 8.18 4.30 0.00 2.98 3.35 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 65 L 8.29 3.81 0.00 1.83 1.58 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.01 3.92 0.00 1.96 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 2.13 2.23 0.00 67 G 8.13 3.93 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 0.00 0.00 0.00 68 L 8.10 4.63 0.00 1.59 1.57 0.91 0.98 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 69 P 0.00 4.49 0.00 2.04 1.98 0.00 3.66 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 2.03 2.07 0.00 70 N 9.17 4.60 0.00 2.64 2.75 0.00 0.00 7.15 7.35 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 71 L 8.25 4.54 0.00 1.63 1.64 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.70 4.17 0.00 1.93 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 73 D 8.16 4.54 0.00 2.69 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 74 L 8.31 4.54 0.00 1.51 1.52 0.88 1.07 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 75 G 8.36 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 0.00 0.00 0.00 76 K 8.34 4.21 0.00 1.70 1.72 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.51 7.81 77 L 8.40 4.06 0.00 1.64 1.55 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.58 4.40 0.00 1.79 1.69 0.96 0.70 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 79 I 8.06 4.34 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.91 0.00 0.00 80 G 8.71 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 81 E 8.76 4.72 0.00 2.13 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 2.40 2.28 0.00 82 N 7.66 5.09 0.00 2.90 2.86 0.00 0.00 5.98 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 83 T 8.52 4.32 5.23 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 1.70 0.00 0.00 84 Q 8.20 3.96 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 85 E 8.69 3.98 0.00 2.38 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 2.37 0.00 86 M 8.31 3.95 0.00 1.31 1.86 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.11 0.00 87 L 8.28 4.20 0.00 1.91 1.72 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.15 3.97 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.46 4.22 0.00 3.32 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 90 D 8.41 4.70 0.00 2.96 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 91 L 8.28 4.01 0.00 1.87 1.87 0.95 0.88 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 92 N 8.61 4.37 0.00 2.80 2.89 0.00 0.00 6.70 6.29 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 93 L 7.94 4.03 0.00 1.99 1.95 0.93 1.03 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 94 E 8.41 4.12 0.00 2.29 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 2.74 2.65 0.00 95 L 8.04 4.01 0.00 1.89 1.75 0.95 0.64 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 96 K 8.17 3.96 0.00 1.91 2.00 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.10 4.20 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 98 T 8.27 3.87 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 1.23 0.00 0.00 99 K 8.04 3.97 0.00 1.88 1.99 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 8.26 4.40 0.00 2.76 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 L 8.06 4.01 0.00 1.96 1.72 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.01 3.92 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 103 E 8.01 3.94 0.00 2.16 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 0.00 2.35 2.51 0.00 104 A 8.08 3.53 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 0.00 105 I 7.97 3.62 2.02 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 1.41 1.01 0.93 0.00 0.00 106 V 7.90 3.58 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 0.97 0.00 0.00 0.98 0.00 0.00 107 H 7.97 4.07 0.00 3.37 3.29 0.00 5.86 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 0.00 108 C 8.15 3.95 0.00 3.19 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 0.00 109 E 8.28 3.82 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 110 Q 7.45 3.83 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 111 V 7.20 3.99 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 0.78 0.00 0.00 0.97 0.00 0.00 112 H 7.67 3.13 0.00 3.17 3.17 0.00 5.64 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.73 4.54 0.00 2.60 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 0.00 0.00 0.00 114 Y 7.62 4.36 0.00 3.10 2.94 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 0.00 115 V 7.89 3.69 2.17 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 1.11 0.00 0.00 1.01 0.00 0.00 116 S 8.66 4.23 0.00 3.95 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 0.00 117 R 7.98 3.92 0.00 1.96 2.19 0.00 3.17 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 118 D 8.15 4.33 0.00 3.09 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 0.00 119 L 7.81 3.95 0.00 1.87 1.87 0.94 0.72 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 0.00 120 L 8.07 4.04 0.00 1.89 1.69 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.34 3.98 0.00 1.93 1.99 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.25 4.35 0.00 2.89 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 0.00 123 I 7.72 3.47 1.97 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 1.16 0.67 0.79 0.00 0.00 124 L 8.03 3.92 0.00 1.85 1.90 0.93 0.91 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 0.00 125 E 8.24 3.92 0.00 2.21 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 2.32 2.33 0.00 126 S 8.00 4.08 0.00 4.00 4.03 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 0.00 127 E 8.52 3.96 0.00 2.12 2.14 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 2.49 2.52 0.00 128 E 8.65 4.07 0.00 2.00 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 2.35 2.48 0.00 129 E 8.36 4.03 0.00 2.22 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 0.00 2.36 2.52 0.00 130 H 8.37 4.38 0.00 3.55 3.44 0.00 5.64 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 0.00 131 I 7.97 3.78 2.11 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 1.47 0.70 0.94 0.00 0.00 132 D 8.30 4.32 0.00 2.92 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 0.00 133 Y 8.18 4.10 0.00 3.15 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 0.00 134 L 8.29 3.50 0.00 1.92 1.64 0.96 0.96 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 0.00 135 E 8.61 3.94 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 136 T 8.11 3.83 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 1.20 0.00 0.00 137 Q 7.90 3.75 0.00 1.77 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 1.31 2.01 0.00 138 L 7.66 3.86 0.00 1.72 1.61 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.25 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 0.00 140 L 7.98 3.95 0.00 1.69 1.80 1.03 0.91 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 0.00 141 I 7.20 3.51 1.81 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 1.03 -0.18 0.82 0.00 0.00 142 Q 7.43 3.96 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 143 K 8.16 4.17 0.00 1.71 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 144 V 8.29 4.32 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 0.79 0.00 0.00 1.11 0.00 0.00 145 G 7.70 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 0.00 146 L 8.45 3.95 0.00 1.77 1.67 0.97 0.96 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 0.00 147 E 8.16 3.98 0.00 2.06 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 2.39 2.40 0.00 148 N 8.11 4.35 0.00 3.07 2.89 0.00 0.00 6.78 7.48 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 0.00 149 Y 7.87 4.01 0.00 3.03 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 0.00 150 L 8.38 4.06 0.00 1.73 1.72 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.06 3.90 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 7.73 4.41 0.00 3.78 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 0.00 153 H 7.73 4.67 0.00 2.87 3.09 0.00 5.81 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 0.00 154 M 7.98 4.09 0.00 1.77 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 155 H 7.58 5.16 0.00 3.09 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.66 4.13 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00