NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.8409 8.3501 109.7382 45.5384 0.0000 173.2278 13 A 4.0922 8.3227 123.2105 50.3655 19.3540 175.7459 14 R 4.0730 9.1089 121.4808 56.1736 31.6619 174.2491 15 Q 4.6676 8.4169 123.4433 54.2531 31.5228 174.4993 16 H 4.7449 8.5575 117.8473 53.9982 31.3881 173.7943 17 V 3.8698 8.2217 124.9366 61.9195 31.6321 174.5110 18 F 4.8875 8.5633 126.0986 55.9520 41.5962 176.2510 19 L 4.6966 8.4514 120.6377 52.9601 42.2036 175.7361 20 V 4.2663 8.0921 123.9383 62.0194 33.3116 176.2456 21 S 4.2542 8.4198 124.4023 58.5043 63.0084 176.5072 22 E 4.1114 8.9259 119.7233 58.7189 29.2521 177.8613 23 Y 4.7438 7.9355 114.4464 58.5928 38.4454 176.7420 24 L 3.9050 7.1756 119.6023 55.8101 42.1032 177.8904 25 K 4.0740 7.6134 119.3951 58.6236 32.4310 176.8802 26 D 4.6712 7.3554 117.2833 52.5446 40.3920 176.1366 27 A 4.3547 8.4892 125.5549 54.0869 19.9245 179.4802 28 S 4.4321 7.8437 114.1279 57.6278 62.0677 180.4999 *34 G 4.0177 8.2058 111.6492 45.9311 0.0000 174.2715 35 L 5.3642 8.7649 122.1389 53.6156 44.8066 179.6659 36 M 4.9337 9.1510 121.4777 53.0480 36.2001 173.1365 37 F 5.2246 9.1131 122.7131 56.3946 40.8133 176.3583 38 V 4.5960 9.4105 125.1961 60.2497 36.0795 172.5576 39 K 4.8817 9.0302 130.0278 54.5535 31.1330 175.5113 40 L 4.8308 8.9444 130.8112 52.7528 43.0086 176.1745 41 V 3.6412 8.5253 119.6998 60.5066 31.9082 174.7065 42 N 4.7122 8.8032 124.0891 52.0493 39.3858 172.9046 43 P 4.4597 0.0000 0.0000 65.7307 31.7258 177.1886 44 C 4.1043 8.1088 116.6863 61.4502 32.0603 173.1874 *49 A 4.1822 7.5930 119.8085 51.4133 19.8487 175.4827 50 I 4.5506 7.9253 119.9755 61.0092 39.5846 174.3538 51 Y 5.1934 9.3803 126.3536 56.2770 42.6764 173.7217 52 L 4.7529 9.2835 127.7971 54.1901 44.3079 175.7809 *53 F 5.3584 9.3017 125.9774 55.6678 42.1416 170.8909 54 N 5.1066 9.1923 120.7663 52.3399 39.8604 175.5269 55 M 4.2258 9.4638 125.0470 58.1339 33.1888 178.3483 56 C 4.2802 8.4301 116.4362 60.6802 28.3652 176.6894 57 L 4.4085 8.0654 120.3464 54.1581 41.6438 178.2776 58 Q 3.6242 8.1869 117.6338 55.0765 24.4912 177.3158 59 Q 4.6358 7.7350 123.4974 54.6344 33.1535 173.2139 60 L 4.8363 8.0820 123.6924 52.9779 43.6011 175.2439 61 F 5.5451 9.5298 122.4151 54.8257 42.6043 174.2732 62 E 5.0839 9.3345 120.3194 55.1983 32.3376 174.6422 63 V 4.9003 7.5508 120.4207 61.2769 33.7622 175.1323 64 K 4.6872 8.6609 125.3323 54.6928 35.9116 175.1213 65 V 4.6830 8.5602 124.6971 61.1361 33.8444 174.8212 66 F 4.7563 9.3361 133.6685 57.8589 40.0856 175.2832 67 K 4.1911 8.3650 130.6005 53.3526 33.3823 172.0152 68 E 4.3364 7.8236 128.9819 53.1964 31.6825 176.5250 69 K 3.7418 8.3979 127.1290 55.9998 32.0358 173.5183 70 H 4.0374 8.7543 124.0274 55.0216 25.2611 173.0700 71 H 4.7755 7.7121 117.7276 54.6707 33.3722 172.4381 72 S 4.7732 7.9839 114.8163 57.0895 65.6554 174.0500 73 W 4.6182 9.3078 123.3030 56.2098 30.7542 175.4149 74 F 5.9913 8.7080 119.4797 56.0619 38.4209 173.7880 75 I 3.9140 8.7835 120.6037 61.2310 37.6145 177.8259 76 N 4.2240 8.9521 123.3268 53.8473 38.3246 174.5915 77 Q 4.6741 8.2802 120.0669 55.0013 31.1675 175.4546 78 S 4.7048 8.4156 110.7704 57.0605 66.3526 173.2649 79 V 4.9992 8.2915 121.9495 60.5054 33.6431 175.3436 80 Q 4.5167 8.9722 124.2219 54.2175 31.4366 174.4005 81 S 4.3369 8.6666 121.3042 59.2986 63.6428 173.2546 82 G 4.1807 8.7592 112.9847 46.1368 0.0000 175.4149 83 G 3.3878 7.8058 105.2407 45.8300 0.0000 173.5355 84 L 4.9273 8.0803 118.0932 53.0890 43.1746 177.2646 85 L 4.6658 8.6724 125.5308 53.6555 44.6223 174.5805 86 H 4.9314 8.6461 124.6969 54.6905 30.1430 174.5452 87 F 5.0967 8.8789 120.1127 55.8029 42.3077 174.6502 88 A 5.0491 8.7923 126.9333 50.7388 17.6661 175.2661 89 T 4.6720 8.4015 110.2865 59.2901 71.3997 173.7070 90 P 4.9949 0.0000 0.0000 62.9586 32.4973 175.7183 91 V 4.4791 8.0924 120.4512 61.3410 35.1084 174.2745 92 D 4.6727 8.8477 126.9518 52.9585 41.5000 175.1114 93 P 4.3587 0.0000 0.0000 65.0259 31.0412 177.9910 94 L 3.8283 7.6265 117.9521 57.7861 42.2010 178.5066 95 F 4.5584 8.4446 119.7725 60.6919 38.9077 178.6246 96 L 4.1815 8.0507 122.9330 60.0696 40.9703 181.2709 97 L 4.3309 8.3044 122.6629 57.6572 40.8757 180.4903 98 L 4.1341 7.5278 118.8248 59.1436 41.7835 178.4930 99 H 4.3375 8.2326 113.7767 58.5673 28.4928 176.5129 100 Y 4.1526 7.6472 124.0712 60.0188 37.6455 177.1519 101 L 4.7547 7.8355 122.4688 56.5141 42.9378 182.2706 102 I 4.4057 7.8350 122.7162 66.5064 35.2565 184.2157 103 K 4.3272 8.0051 123.3861 59.6099 31.6182 180.7961 104 A 4.1969 7.4784 123.7620 53.8934 18.6692 179.3768 105 D 4.8843 7.9994 116.9394 54.1458 39.6630 178.3644 106 K 4.5176 7.7527 115.5478 54.2256 33.2902 178.3725 *123 P 4.5192 0.0000 0.0000 63.5791 32.6406 177.2365 124 N 4.8529 7.7684 114.6114 52.2180 39.1696 176.7021 125 C 4.2889 8.1588 124.3181 62.9576 32.4535 176.5162 126 I 3.7227 8.0547 119.9214 63.4690 35.1464 182.4791 127 L 4.2302 7.3437 122.9403 56.9839 41.0922 180.8017 128 L 4.1278 7.5150 118.6411 58.1058 41.0783 183.6395 129 L 4.1289 7.8645 120.4893 57.1798 41.3085 180.9694 130 K 4.4281 7.0908 121.0979 54.1689 28.9355 177.4029 131 L 4.8317 7.4145 122.6882 51.4975 46.0870 174.7018 132 P 4.2378 0.0000 0.0000 64.1263 31.6474 176.3044 133 G 3.7328 8.9073 111.7668 47.9026 0.0000 176.0996 134 L 4.2167 7.9972 126.8796 58.8853 41.5602 180.8311 135 E 4.2035 8.0076 118.7747 60.9503 29.5205 181.5138 136 K 4.3233 8.0619 120.8143 60.1463 32.8710 179.4396 137 L 4.1924 7.0592 119.9759 58.9942 41.0249 182.6265 138 L 4.2603 8.2420 121.5881 58.2929 41.7024 179.2491 *139 H 4.5458 7.5887 115.8523 54.7553 27.2429 178.7672 140 H 4.6075 7.8934 116.9958 57.1759 32.0122 174.8437 141 V 3.9785 7.4459 118.5599 64.3365 33.5556 175.8602 142 T 4.7271 6.7846 114.1711 61.1372 66.9713 178.5690 *154 K 4.4427 8.8401 120.3321 55.7113 33.5322 174.8260 155 Y 4.6317 7.0279 116.5926 55.6764 39.1979 174.3124 156 Y 4.7120 8.6858 122.5392 56.6806 41.2931 175.5808 157 K 4.6951 8.7392 127.5484 53.2285 35.4782 173.0772 *158 Y 4.3314 8.5082 122.4574 55.5964 37.3563 173.0385 159 S 4.7990 8.4288 120.0851 55.8820 65.9901 175.9464 160 K 4.0094 8.7668 130.2160 60.1043 31.6173 178.2249 161 E 4.2230 8.1011 118.7836 61.0451 29.6671 181.6116 162 K 4.3623 7.9832 118.7259 59.5667 32.4120 179.5376 163 T 4.1138 7.7045 118.3295 67.2412 67.8624 177.4626 164 L 4.2989 8.4690 126.9841 59.9434 41.0436 182.1741 165 K 4.3648 7.9057 122.6675 59.3622 31.4239 181.8702 166 W 4.5798 8.5200 131.9224 61.0407 30.2694 178.8891 167 L 3.7484 8.4777 124.8349 59.7175 39.8688 181.6714 168 E 4.4059 8.0981 119.1435 61.3260 29.7387 183.2482 169 K 4.0746 7.5813 121.4381 59.8784 31.8107 183.9935 170 K 4.1188 7.4412 117.9378 59.1728 31.7755 179.6955 171 V 3.5655 7.3860 117.4938 66.0883 31.2826 177.7935 172 N 4.4702 7.5222 114.3395 55.5774 37.2315 176.7546 173 Q 4.1360 7.8616 121.3628 58.7187 29.2221 177.5829 174 T 4.2741 8.3179 113.1553 64.7064 69.2046 177.9803 175 V 3.6799 7.6917 122.0816 65.5874 31.5182 182.6739 176 A 4.1994 7.8868 119.2546 55.0557 18.3893 179.4147 177 A 4.0013 7.6334 119.8737 55.8084 18.5410 180.3798 178 L 4.2356 8.2345 122.9113 59.2690 40.7744 182.0160 179 K 4.4258 7.3072 122.3104 59.5223 32.2357 184.5052 180 T 4.4213 7.8368 115.6574 66.7512 68.8700 181.1088 181 N 4.9111 8.5783 122.6768 54.1122 38.9638 176.6154 182 N 4.3978 8.0178 117.6926 54.1791 34.1142 178.1940 183 V 4.1565 8.3796 121.5152 59.4543 33.1771 177.0367 184 N 4.4121 8.6002 125.2761 50.7716 36.6836 171.9160 *206 E 4.2805 8.3719 122.5402 55.4778 29.9842 175.1852 207 D 4.4936 8.3437 117.8601 55.4453 40.4394 179.0553 208 Y 4.4998 8.1198 117.8370 62.0520 37.6061 178.4140 209 I 3.8618 7.5673 123.6806 66.3578 35.5206 183.1640 210 R 4.2543 7.9876 121.7278 60.9524 29.1459 180.1957 211 Y 4.0812 7.4534 116.6728 60.9108 39.3012 177.6374 212 A 4.2336 8.9739 122.0360 55.1365 18.4517 179.1687 213 H 4.3400 8.2022 117.4708 59.3699 29.7896 177.7075 214 G 3.5849 7.8953 106.0057 46.6666 0.0000 175.3843 215 L 4.0792 7.3977 120.4173 57.7456 41.7986 179.0867 216 I 3.6275 7.6012 118.7045 63.2695 37.3792 178.0872 217 S 4.2359 7.5917 114.7653 60.7596 62.5670 175.1748 218 D 4.8445 7.5233 122.7159 55.4618 40.9759 176.7254 *219 Y 4.6690 7.6212 116.3535 56.1565 38.7461 180.6188 220 I 4.7978 7.4188 118.4010 59.1353 41.0976 173.3274 221 P 4.6118 0.0000 0.0000 65.2545 31.7469 178.5199 222 K 4.2674 8.1267 124.9685 58.6235 31.6958 184.3264 223 E 4.4056 8.3041 120.4795 62.4309 29.4144 184.9684 224 L 4.3420 7.5106 122.7868 60.3720 41.0526 184.0668 225 S 4.7038 8.0686 119.2396 62.1521 62.5179 177.2728 226 D 4.8257 7.6069 123.1907 53.8553 39.9662 181.3365 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 12 G 8.35 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 13 A 8.32 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.11 4.07 0.00 1.76 1.82 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 15 Q 8.42 4.67 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.46 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 16 H 8.56 4.74 0.00 3.19 3.23 0.00 5.69 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 17 V 8.22 3.87 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 0.25 0.00 0.00 -0.04 0.00 0.00 18 F 8.56 4.89 0.00 2.84 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 19 L 8.45 4.70 0.00 1.47 1.57 0.73 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.09 4.27 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 0.50 0.00 0.00 0.91 0.00 0.00 21 S 8.42 4.25 0.00 3.69 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 22 E 8.93 4.11 0.00 1.88 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 2.32 1.88 0.00 23 Y 7.94 4.74 0.00 3.19 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 24 L 7.18 3.90 0.00 1.57 1.55 0.73 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.61 4.07 0.00 1.84 1.82 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.35 7.81 26 D 7.36 4.67 0.00 3.02 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 27 A 8.49 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.84 4.43 0.00 3.64 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 *34 G 8.21 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 0.00 0.00 0.00 35 L 8.76 5.36 0.00 1.41 1.42 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 M 9.15 4.93 0.00 1.58 1.87 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 37 F 9.11 5.22 0.00 2.86 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 38 V 9.41 4.60 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 0.72 0.00 0.00 0.93 0.00 0.00 39 K 9.03 4.88 0.00 1.53 1.67 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.00 7.81 40 L 8.94 4.83 0.00 1.43 1.46 0.92 0.84 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 41 V 8.53 3.64 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 0.87 0.00 0.00 0.93 0.00 0.00 42 N 8.80 4.71 0.00 2.77 2.83 0.00 0.00 7.21 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.46 0.00 2.40 2.35 0.00 3.88 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 2.17 2.18 0.00 44 C 8.11 4.10 0.00 3.06 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 *49 A 7.59 4.18 1.19 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 0.00 0.00 0.00 50 I 7.93 4.55 1.90 0.00 0.00 1.00 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 1.41 0.90 0.00 0.00 51 Y 9.38 5.19 0.00 2.99 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 52 L 9.28 4.75 0.00 1.26 1.52 -0.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *53 F 9.30 5.36 0.00 1.91 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 0.00 0.00 0.00 54 N 9.19 5.11 0.00 2.92 2.84 0.00 0.00 6.67 8.11 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 55 M 9.46 4.23 0.00 1.84 2.14 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 2.55 2.70 0.00 56 C 8.43 4.28 0.00 2.73 2.84 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 57 L 8.07 4.41 0.00 1.65 1.60 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.19 3.62 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.64 0.00 0.00 0.00 0.00 0.00 2.18 1.86 0.00 59 Q 7.73 4.64 0.00 1.69 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.86 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 60 L 8.08 4.84 0.00 1.31 1.55 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 61 F 9.53 5.55 0.00 2.94 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 62 E 9.33 5.08 0.00 2.11 2.38 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 2.50 2.32 0.00 63 V 7.55 4.90 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 0.93 0.00 0.00 1.20 0.00 0.00 64 K 8.66 4.69 0.00 1.80 1.71 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.48 7.81 65 V 8.56 4.68 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 0.58 0.00 0.00 0.95 0.00 0.00 66 F 9.34 4.76 0.00 3.39 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 67 K 8.36 4.19 0.00 1.54 1.59 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 0.96 7.81 68 E 7.82 4.34 0.00 1.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 69 K 8.40 3.74 0.00 1.81 1.61 0.00 2.00 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.04 7.81 70 H 8.75 4.04 0.00 3.18 3.28 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.71 4.78 0.00 2.85 2.85 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.98 4.77 0.00 3.70 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 73 W 9.31 4.62 0.00 3.29 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.71 5.99 0.00 2.93 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 75 I 8.78 3.91 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.89 0.00 0.00 76 N 8.95 4.22 0.00 2.82 2.66 0.00 0.00 6.95 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.28 4.67 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 78 S 8.42 4.70 0.00 4.01 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 79 V 8.29 5.00 2.39 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 0.80 0.00 0.00 1.05 0.00 0.00 80 Q 8.97 4.52 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 81 S 8.67 4.34 0.00 3.89 3.85 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 82 G 8.76 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 0.00 0.00 0.00 0.00 83 G 7.81 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 0.00 0.00 0.00 84 L 8.08 4.93 0.00 1.59 1.50 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.67 4.67 0.00 2.10 1.69 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.65 4.93 0.00 1.40 1.77 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.88 5.10 0.00 2.88 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 88 A 8.79 5.05 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.40 4.67 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 90 P 0.00 4.99 0.00 2.05 2.12 0.00 3.76 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 2.20 2.44 0.00 91 V 8.09 4.48 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 0.76 0.00 0.00 1.01 0.00 0.00 92 D 8.85 4.67 0.00 2.97 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 93 P 0.00 4.36 0.00 2.13 2.02 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 94 L 7.63 3.83 0.00 1.80 1.35 0.61 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.44 4.56 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 96 L 8.05 4.18 0.00 1.74 1.58 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.30 4.33 0.00 1.61 1.69 0.92 0.38 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 98 L 7.53 4.13 0.00 2.07 1.74 0.86 0.93 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 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0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 124 N 7.77 4.85 0.00 2.81 2.88 0.00 0.00 6.59 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 0.00 125 C 8.16 4.29 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.05 3.72 1.87 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 1.27 0.56 0.91 0.00 0.00 127 L 7.34 4.23 0.00 1.82 1.61 0.92 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 0.00 128 L 7.51 4.13 0.00 1.76 1.62 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.86 4.13 0.00 1.66 1.60 0.92 0.70 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 0.00 130 K 7.09 4.43 0.00 1.85 1.67 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.28 7.81 131 L 7.41 4.83 0.00 1.49 1.48 0.91 1.09 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 140 H 7.89 4.61 0.00 2.60 2.79 0.00 5.64 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 0.00 141 V 7.45 3.98 1.65 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 0.92 0.00 0.00 -0.20 0.00 0.00 142 T 6.78 4.73 4.24 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 1.21 0.00 0.00 *154 K 8.84 4.44 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 155 Y 7.03 4.63 0.00 2.96 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 0.00 156 Y 8.69 4.71 0.00 2.98 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 0.00 157 K 8.74 4.70 0.00 1.71 1.52 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 0.96 7.81 *158 Y 8.51 4.33 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 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 176 A 7.89 4.20 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 0.00 177 A 7.63 4.00 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 0.00 178 L 8.23 4.24 0.00 1.69 1.69 0.92 0.67 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 0.00 179 K 7.31 4.43 0.00 1.97 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.31 7.81 180 T 7.84 4.42 4.24 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 1.21 0.00 0.00 181 N 8.58 4.91 0.00 2.79 2.75 0.00 0.00 7.06 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 0.00 182 N 8.02 4.40 0.00 2.88 2.72 0.00 0.00 6.53 7.67 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 0.00 183 V 8.38 4.16 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 0.84 0.00 0.00 0.93 0.00 0.00 184 N 8.60 4.41 0.00 2.73 2.69 0.00 0.00 6.71 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 *206 E 8.37 4.28 0.00 1.91 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 2.21 1.88 0.00 207 D 8.34 4.49 0.00 2.60 2.70 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 0.00 208 Y 8.12 4.50 0.00 2.99 3.05 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 0.00 209 I 7.57 3.86 1.87 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 1.38 0.72 0.91 0.00 0.00 210 R 7.99 4.25 0.00 1.81 1.96 0.00 3.22 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 211 Y 7.45 4.08 0.00 2.90 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 0.00 212 A 8.97 4.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 H 8.20 4.34 0.00 3.24 3.55 0.00 5.59 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 0.00 214 G 7.90 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 0.00 215 L 7.40 4.08 0.00 1.89 1.66 1.03 0.65 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 0.00 216 I 7.60 3.63 1.84 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 1.67 0.86 1.01 0.00 0.00 217 S 7.59 4.24 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 D 7.52 4.84 0.00 2.60 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 *219 Y 7.62 4.67 0.00 2.31 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 0.00 0.00 0.00 220 I 7.42 4.80 2.16 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.16 1.07 0.00 0.00 221 P 0.00 4.61 0.00 2.34 2.32 0.00 3.83 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 222 K 8.13 4.27 0.00 1.79 1.84 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.07 7.81 223 E 8.30 4.41 0.00 1.97 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 2.31 1.94 0.00 224 L 7.51 4.34 0.00 1.85 1.62 0.92 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 0.00 225 S 8.07 4.70 0.00 3.72 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 D 7.61 4.83 0.00 2.62 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 * Residues marked with a * may have inaccurate shift predictions.