NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 V 3.9020 7.9133 120.3811 62.8657 33.6957 177.5135 29 R 4.0089 7.9329 118.7199 58.5824 29.9527 177.3341 30 G 3.7387 8.5733 107.1194 47.7781 0.0000 175.1065 31 A 3.9932 7.7765 121.5354 54.8727 18.5671 179.1631 32 I 3.8799 7.3912 116.8099 64.8560 37.6020 178.6131 33 F 4.4479 8.6769 118.0527 59.5935 38.5431 176.2455 34 N 4.8267 7.7924 116.0103 53.5837 39.2691 176.0219 *36 I 4.6105 7.8734 114.4123 60.3236 41.1695 175.8417 37 G 3.5407 8.5026 106.7303 45.1533 0.0000 173.3987 38 P 4.6968 0.0000 0.0000 63.3456 31.9573 175.2147 39 Y 4.8234 6.6899 115.8636 55.1794 41.3462 174.2982 40 F 4.9936 9.0704 118.4452 56.1582 43.2637 175.1464 41 N 5.2608 9.0388 119.3599 52.5580 38.3235 175.4584 42 G 3.9326 7.6666 103.0907 45.4596 0.0000 171.6417 43 G 4.2236 7.4980 104.3944 43.1084 0.0000 172.5329 44 R 4.8114 9.3897 119.6623 54.4008 32.3011 175.9514 45 V 4.8202 8.7151 123.7068 61.1275 34.4042 174.0358 46 L 4.7827 8.9653 129.0316 53.2456 44.7150 174.4514 47 D 5.4112 9.2396 127.1277 52.6257 43.2154 174.4370 48 L 4.2456 8.6191 125.6690 53.7616 43.6062 176.9496 49 F 4.1366 7.9937 118.4496 58.1178 36.5396 176.3456 50 A 4.5221 7.7286 124.2317 52.7544 20.0637 181.0535 51 G 4.1124 8.9333 103.9043 47.3957 0.0000 175.3261 52 S 4.3447 9.0009 123.0055 57.7410 63.3867 175.1507 53 G 4.0941 8.6066 109.7788 46.0788 0.0000 175.7130 54 G 3.7824 7.5764 108.2146 47.9497 0.0000 176.1953 55 L 3.9139 7.7262 120.4337 57.3234 41.6212 179.2575 56 A 4.2678 7.7377 119.5616 55.3168 18.3458 179.7683 57 I 3.9401 7.9299 118.3294 64.6561 37.2141 178.3522 58 E 3.8510 8.3673 119.9683 59.0678 29.1849 178.6646 59 A 4.2005 8.1976 120.2400 55.2559 18.8300 179.5050 60 V 3.7236 8.0931 116.8644 66.1421 31.3941 178.2092 61 S 4.2142 8.1365 112.1168 60.9977 62.4172 175.4047 62 R 4.4989 8.4923 118.9238 55.3115 31.4017 174.0191 63 G 3.9760 7.5576 107.0412 46.2839 0.0000 174.1778 *65 S 4.4794 7.8885 119.0285 58.5239 65.5643 174.0731 66 A 4.6484 7.7451 118.7860 50.7828 23.2799 174.6945 67 A 5.1388 8.7799 119.6638 50.5682 23.2773 175.4356 68 V 4.7737 9.0462 121.5285 61.1239 34.1425 174.3532 69 L 5.2651 9.3475 127.9405 52.8993 44.8673 175.5131 70 V 4.7813 8.6953 123.1180 61.0348 34.3727 174.0683 71 E 4.7476 8.8453 128.6649 55.2631 32.5257 175.9382 72 K 4.0396 8.8879 126.7452 58.6263 33.0670 177.7620 73 N 4.4905 8.3976 118.2116 53.3206 40.4087 175.8997 74 R 3.9509 8.5793 126.7623 59.3653 30.3904 179.3829 75 K 4.0125 8.1864 117.6630 59.2540 32.0757 179.1442 76 A 3.9937 8.6769 121.4763 55.2261 18.2411 179.5566 77 Q 3.9324 8.1444 116.3796 59.0919 28.8068 179.1103 78 A 3.9660 7.8784 121.2018 55.2201 18.3591 179.7508 79 I 3.6139 7.6567 118.1153 64.4998 37.0991 178.6194 80 I 3.6135 8.0493 120.9528 64.6485 36.7641 178.3517 81 Q 3.9490 7.9661 117.3472 59.1516 28.8461 178.7238 82 D 4.4576 8.0263 119.6168 57.5302 40.6994 178.5460 83 N 4.3082 8.0904 115.8385 56.3974 38.5460 177.2519 84 I 3.4661 7.6628 120.6743 63.7696 37.5758 178.4508 85 I 3.9936 7.4187 121.8521 61.2819 36.8133 177.6710 *87 T 4.1993 7.8832 109.5957 60.1765 70.5433 173.9860 88 K 3.8987 8.3069 119.4159 57.1898 30.7554 175.1316 89 A 4.8678 7.8508 121.1171 51.1924 19.4844 178.7687 90 E 4.3297 8.5162 120.6009 60.3018 29.9337 178.4918 91 N 4.6071 8.2200 115.2867 55.0395 38.8150 175.4789 92 R 4.2361 8.1024 117.1848 56.1146 30.6678 175.4968 93 F 5.3877 8.0007 116.8143 55.8414 42.1764 175.0363 94 T 4.6143 9.0436 118.8090 61.8322 71.5310 172.4957 95 L 5.0722 8.6963 128.9108 53.3479 43.9702 175.2136 96 L 4.6777 9.1929 126.4706 52.8655 44.4862 175.5329 97 K 4.7813 8.5440 125.5872 54.2558 32.4089 175.2198 *99 E 4.0534 8.4604 126.1052 55.6123 30.9804 177.0639 100 A 3.7354 8.4499 124.2921 55.4056 18.0265 180.0018 101 E 3.8904 8.0283 115.2604 59.6805 29.8036 179.4036 102 R 4.0304 7.9132 117.2561 59.0263 30.1451 178.5897 103 A 3.9378 8.2737 120.9803 55.5327 18.1580 179.6122 104 I 3.6302 7.9044 118.2340 64.8061 36.9404 178.0542 105 D 4.3241 7.8647 117.6961 56.1472 40.8187 176.7509 106 C 4.5787 8.0035 115.7699 59.7290 29.5259 174.3406 107 L 4.4303 7.2651 119.5407 54.8311 41.8520 176.8220 108 T 4.4563 8.3849 108.5353 62.3690 71.0074 174.9061 109 G 3.6420 7.7092 109.0990 44.3944 0.0000 173.0259 110 R 4.2129 7.9904 119.3674 55.8868 30.9885 176.0562 111 F 4.7307 9.0296 122.0549 56.0907 41.3756 176.3024 112 D 4.5645 9.0963 122.2230 54.9096 42.6629 176.2648 113 L 4.7780 7.7347 120.2419 53.2307 45.7080 174.9592 114 V 4.7444 8.1623 125.3526 61.0295 34.9952 173.6658 115 F 5.4304 9.2199 126.6879 55.8191 41.7126 174.6413 116 L 5.1120 9.3227 123.2976 53.1222 45.0465 175.8221 117 D 5.1218 8.4535 123.2918 52.2153 41.3001 172.2624 118 P 4.2382 0.0000 0.0000 59.3016 33.7946 174.1576 119 P 4.2768 0.0000 0.0000 62.9854 32.6008 175.1358 120 Y 3.3910 7.8814 113.7579 59.7320 35.0139 172.2283 121 A 3.6102 7.0452 119.7481 55.5152 19.0590 178.8073 122 K 3.7507 8.0253 115.3619 59.4812 32.5209 179.0726 123 E 3.9599 8.1504 117.8509 59.9882 29.4773 179.5152 124 T 3.9582 8.4212 116.0122 66.3874 68.4053 177.0741 125 I 3.6644 8.2646 122.2604 64.2702 37.1414 178.5984 126 V 3.4419 7.6064 118.2378 65.9947 31.4250 177.8848 127 A 3.9920 7.9025 120.4569 55.4919 18.1321 179.8150 128 T 3.8899 8.3792 114.6416 66.8860 68.5135 177.1670 129 I 3.7088 7.9031 121.8234 64.2813 37.0518 178.3465 130 E 3.9041 8.3389 119.3336 59.2962 29.3855 179.3164 131 A 3.9920 8.1325 120.7741 55.1445 18.4729 179.6677 132 L 3.9486 8.3405 117.7528 57.8813 41.7264 179.6963 133 A 3.9834 8.2834 120.6497 55.1276 18.1239 179.6114 134 A 4.0390 8.0308 118.2302 54.5365 18.4471 178.9496 135 K 4.2945 7.7460 114.5144 55.0851 32.9686 176.3788 136 N 4.1520 7.6901 115.6758 54.5893 36.6902 174.5112 137 L 4.6431 7.9970 115.0642 54.7208 43.4510 177.0916 138 L 5.0849 7.6519 119.8040 52.6311 43.4186 176.7072 139 S 4.3032 8.8939 118.6617 58.1252 64.0476 175.2356 140 E 3.9421 8.9158 120.3197 59.6812 29.1991 178.6161 141 Q 4.5185 7.7366 115.0233 55.6282 29.5140 178.1155 142 V 4.4640 7.0504 118.3957 60.8627 31.7411 175.3350 *144 V 3.8638 8.1975 119.9104 63.4657 32.8393 175.6886 145 V 4.7081 8.8107 129.6895 61.8275 33.1452 174.1810 146 C 5.8259 9.5121 126.2599 57.2616 30.6918 172.3773 147 E 5.2234 8.9378 125.0220 54.7418 31.3258 174.7337 148 T 4.7581 8.8359 116.2286 60.2037 73.1206 172.9303 149 D 4.7948 8.5965 120.6215 53.7930 41.4322 177.9055 150 K 3.9737 8.5746 121.0043 60.1472 32.6188 178.4844 151 T 4.0005 7.7446 108.2155 63.2919 69.2460 174.9776 152 V 3.5835 7.3820 122.9975 62.8905 31.7560 174.7882 153 L 4.6102 8.4554 127.2976 53.0978 42.9661 175.7822 154 L 4.8296 8.1876 123.5927 51.9276 43.5484 174.6706 155 P 4.5427 0.0000 0.0000 62.4390 32.3041 177.7576 156 K 4.1824 8.7543 119.6465 58.8550 32.3577 176.9711 157 E 5.3207 7.6453 113.3900 54.5362 33.1180 175.3135 158 I 4.4188 8.4058 122.4077 60.4993 41.4606 174.9321 159 A 3.8855 8.3767 129.7758 54.0242 17.1476 177.8215 160 T 4.3312 8.6268 108.4765 63.9790 69.3245 174.4648 161 L 4.9168 8.1938 123.5439 53.7461 43.8883 175.3424 162 G 4.6968 8.8196 106.5830 44.5026 0.0000 172.0749 163 I 3.8033 8.3633 123.0575 61.2824 36.9389 175.6591 164 W 4.7293 9.3436 135.0000 58.9801 31.6588 176.4308 165 K 4.5366 7.6069 117.2785 54.5958 36.3430 175.2254 166 E 4.9925 8.1840 120.1420 55.0906 32.3445 174.2363 167 K 4.4182 8.9799 125.1881 54.3754 36.0724 174.7842 168 I 4.5772 8.0342 127.1721 59.3939 39.5610 174.6980 169 Y 4.8849 8.5202 122.6857 56.6186 41.9540 174.4769 170 G 3.9752 8.5682 111.8662 47.3148 0.0000 174.4086 171 I 4.7395 8.4718 114.4986 59.9885 37.8380 174.2448 172 S 4.9671 8.2893 115.5242 57.9952 67.2967 172.3472 173 K 4.8889 9.1664 120.9668 54.6703 35.7632 174.7430 174 V 4.8404 8.5426 127.0403 61.4192 34.1198 174.1957 175 T 4.8682 9.1182 124.5616 61.6345 71.9550 172.9467 176 V 4.8531 8.8303 126.3978 61.4184 33.9456 173.8187 177 Y 5.1793 9.2465 125.9537 56.8275 39.9562 175.3997 178 V 4.7252 8.6792 114.5626 59.7906 36.9858 174.6910 179 N 4.8951 8.6453 119.4261 52.5793 39.2629 176.2987 180 E 3.9573 8.8578 118.2510 59.3124 29.5060 178.0349 181 G 3.9533 7.8321 106.0876 45.1962 0.0000 172.7888 182 H 4.1068 7.8567 120.3075 56.0840 30.1656 175.0188 183 H 4.5742 8.7184 125.0125 55.2053 29.3110 175.1902 184 H 4.3669 8.7780 118.1596 56.3590 28.8566 174.4089 185 H 4.8490 8.5451 117.7767 54.2419 30.5766 174.5966 186 H 4.6558 8.4560 117.4532 55.8896 29.4901 175.2270 187 H 4.4648 8.7348 115.6253 55.9866 28.8869 174.9023 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 28 V 7.91 3.90 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 0.95 0.00 0.00 0.87 0.00 0.00 29 R 7.93 4.01 0.00 2.08 2.26 0.00 3.35 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 30 G 8.57 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 31 A 7.78 3.99 0.97 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 0.00 0.00 32 I 7.39 3.88 1.89 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 1.64 0.79 0.64 0.00 0.00 33 F 8.68 4.45 0.00 3.27 3.21 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 0.00 0.00 0.00 0.00 34 N 7.79 4.83 0.00 2.94 2.88 0.00 0.00 6.95 7.30 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 *36 I 7.87 4.61 2.19 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 1.64 0.96 1.09 0.00 0.00 37 G 8.50 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.70 0.00 2.27 2.39 0.00 3.71 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 2.26 2.08 0.00 39 Y 6.69 4.82 0.00 3.01 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 40 F 9.07 4.99 0.00 3.00 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 41 N 9.04 5.26 0.00 2.75 2.85 0.00 0.00 7.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.67 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 43 G 7.50 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.39 4.81 0.00 1.59 1.88 0.00 2.65 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 45 V 8.72 4.82 2.27 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 1.20 0.00 0.00 0.94 0.00 0.00 46 L 8.97 4.78 0.00 0.27 1.00 0.48 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.24 5.41 0.00 2.89 2.61 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 0.00 0.00 0.00 0.00 48 L 8.62 4.25 0.00 1.75 1.00 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.99 4.14 0.00 3.26 3.11 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 0.00 50 A 7.73 4.52 1.39 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 0.00 0.00 51 G 8.93 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 0.00 0.00 0.00 0.00 52 S 9.00 4.34 0.00 3.88 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 53 G 8.61 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 54 G 7.58 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.73 3.91 0.00 1.07 0.13 0.65 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.74 4.27 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 57 I 7.93 3.94 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.65 0.87 0.00 0.00 58 E 8.37 3.85 0.00 2.16 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 2.10 1.47 0.00 59 A 8.20 4.20 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 0.00 0.00 0.00 0.00 0.00 60 V 8.09 3.72 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 0.91 0.00 0.00 0.86 0.00 0.00 61 S 8.14 4.21 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.49 4.50 0.00 2.22 2.06 0.00 2.21 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 63 G 7.56 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 0.00 0.00 0.00 *65 S 7.89 4.48 0.00 3.88 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 66 A 7.75 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.78 5.14 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 68 V 9.05 4.77 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 1.09 0.00 0.00 1.13 0.00 0.00 69 L 9.35 5.27 0.00 1.65 1.55 1.17 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.70 4.78 1.88 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 0.92 0.00 0.00 0.82 0.00 0.00 71 E 8.85 4.75 0.00 2.11 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 2.22 2.35 0.00 72 K 8.89 4.04 0.00 1.80 1.87 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.55 7.81 73 N 8.40 4.49 0.00 2.80 2.82 0.00 0.00 7.09 7.81 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 74 R 8.58 3.95 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 75 K 8.19 4.01 0.00 1.98 1.85 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 76 A 8.68 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.14 3.93 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 78 A 7.88 3.97 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 79 I 7.66 3.61 2.00 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 1.51 0.82 0.89 0.00 0.00 80 I 8.05 3.61 1.99 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 1.61 0.93 0.85 0.00 0.00 81 Q 7.97 3.95 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 82 D 8.03 4.46 0.00 2.88 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 83 N 8.09 4.31 0.00 2.71 2.78 0.00 0.00 7.13 8.25 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 84 I 7.66 3.47 1.90 0.00 0.00 0.77 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 9.04 4.61 4.31 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 1.25 0.00 0.00 95 L 8.70 5.07 0.00 1.65 1.58 1.01 1.05 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 96 L 9.19 4.68 0.00 1.53 1.51 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.54 4.78 0.00 1.76 1.75 0.00 1.63 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.29 7.81 *99 E 8.46 4.05 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 100 A 8.45 3.74 0.71 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 0.00 0.00 101 E 8.03 3.89 0.00 1.95 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 2.34 2.45 0.00 102 R 7.91 4.03 0.00 1.99 1.96 0.00 3.14 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 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3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 9.10 4.56 0.00 2.63 2.67 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 0.00 113 L 7.73 4.78 0.00 1.48 1.24 0.53 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.16 4.74 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 0.77 0.00 0.00 0.87 0.00 0.00 115 F 9.22 5.43 0.00 3.14 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 0.00 116 L 9.32 5.11 0.00 1.61 1.62 0.96 0.76 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 0.00 117 D 8.45 5.12 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.24 0.00 1.20 0.49 0.00 3.67 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 119 P 0.00 4.28 0.00 2.22 2.06 0.00 3.42 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.38 3.89 4.35 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 1.32 0.00 0.00 129 I 7.90 3.71 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.75 0.00 0.00 130 E 8.34 3.90 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 131 A 8.13 3.99 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 0.00 132 L 8.34 3.95 0.00 1.81 1.74 0.90 0.67 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 0.00 133 A 8.28 3.98 1.36 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 0.00 0.00 0.00 134 A 8.03 4.04 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 0.00 135 K 7.75 4.29 0.00 1.79 1.86 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.61 1.62 7.81 136 N 7.69 4.15 0.00 2.82 2.84 0.00 0.00 6.83 7.81 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 0.00 137 L 8.00 4.64 0.00 1.71 1.92 1.03 0.74 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 0.00 138 L 7.65 5.08 0.00 1.52 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.89 4.30 0.00 3.86 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.92 3.94 0.00 1.93 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 2.29 2.27 0.00 141 Q 7.74 4.52 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 142 V 7.05 4.46 2.30 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 1.02 0.00 0.00 0.95 0.00 0.00 *144 V 8.20 3.86 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 0.80 0.00 0.00 0.93 0.00 0.00 145 V 8.81 4.71 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 1.15 0.00 0.00 0.90 0.00 0.00 146 C 9.51 5.83 0.00 3.03 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.94 5.22 0.00 2.01 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 2.22 2.32 0.00 148 T 8.84 4.76 4.23 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 1.22 0.00 0.00 149 D 8.60 4.79 0.00 2.71 2.61 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 0.00 0.00 0.00 0.00 150 K 8.57 3.97 0.00 1.83 1.94 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 151 T 7.74 4.00 4.23 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 1.20 0.00 0.00 152 V 7.38 3.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.91 0.00 0.00 153 L 8.46 4.61 0.00 1.66 1.58 0.92 0.98 0.00 0.00 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0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.82 4.70 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 0.00 163 I 8.36 3.80 1.72 0.00 0.00 0.73 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 0.36 0.72 0.00 0.00 164 W 9.34 4.73 0.00 3.06 3.31 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 0.00 165 K 7.61 4.54 0.00 1.13 1.14 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.52 0.21 7.81 166 E 8.18 4.99 0.00 1.76 1.70 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 2.02 2.17 0.00 167 K 8.98 4.42 0.00 1.54 1.18 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.64 1.17 7.81 168 I 8.03 4.58 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.86 0.00 0.00 169 Y 8.52 4.88 0.00 2.97 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 0.00 170 G 8.57 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 0.00 0.00 0.00 171 I 8.47 4.74 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 1.42 0.78 0.92 0.00 0.00 172 S 8.29 4.97 0.00 3.97 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 0.00 173 K 9.17 4.89 0.00 1.70 1.56 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.38 7.81 174 V 8.54 4.84 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 1.02 0.00 0.00 1.05 0.00 0.00 175 T 9.12 4.87 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 0.85 0.00 0.00 176 V 8.83 4.85 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 1.07 0.00 0.00 0.97 0.00 0.00 177 Y 9.25 5.18 0.00 2.82 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 0.00 178 V 8.68 4.73 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.81 0.00 0.00 179 N 8.65 4.90 0.00 2.92 2.72 0.00 0.00 6.55 7.66 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 0.00 180 E 8.86 3.96 0.00 2.08 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 2.28 2.32 0.00 181 G 7.83 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 H 7.86 4.11 0.00 3.14 3.04 0.00 5.95 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 0.00 183 H 8.72 4.57 0.00 3.01 3.11 0.00 5.74 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 0.00 184 H 8.78 4.37 0.00 3.37 3.38 0.00 5.51 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 H 8.55 4.85 0.00 3.31 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 H 8.46 4.66 0.00 3.36 3.38 0.00 5.49 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 H 8.73 4.46 0.00 3.17 3.30 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.