NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2757 7.8827 121.4439 61.1618 38.7698 173.7716 17 V 4.3106 8.6819 125.3448 61.5919 33.0484 174.2502 18 G 4.0513 8.9893 114.9625 46.6500 0.0000 173.0337 19 G 4.4494 7.8531 108.8840 44.6849 0.0000 172.6359 20 Y 5.0947 8.1756 117.5219 55.1788 42.3306 174.7589 21 T 4.2562 8.5574 116.8032 63.5770 68.4739 175.5791 22 C 4.2248 8.4898 125.1823 60.8515 35.8429 174.5573 23 G 4.1791 8.4321 106.9682 43.8228 0.0000 172.9474 24 A 4.0910 8.6614 125.2332 53.8289 18.6269 177.0351 25 N 4.2192 8.7817 119.7460 54.4816 36.3006 175.1780 26 T 4.2749 7.5210 106.8467 62.2661 69.9811 175.1806 27 V 4.0485 6.9823 122.1497 60.1673 31.4286 173.6315 28 P 4.4849 0.0000 0.0000 63.9087 32.0682 178.1498 29 Y 4.9420 6.6829 115.5244 56.2414 38.7067 174.5735 30 Q 4.4836 7.4766 123.5094 56.3572 29.2214 175.4259 31 V 4.8784 8.8659 118.6256 59.6248 36.2841 174.1705 32 S 5.0002 8.9377 116.8635 56.5754 65.2315 172.5748 33 L 4.6330 8.6064 127.5212 53.2312 43.2511 174.8847 34 N 6.0471 9.1308 123.2696 50.1569 41.7595 175.0665 *37 S 4.2702 8.3954 120.7004 58.4932 64.1676 174.3638 38 G 3.9918 9.4175 109.4066 46.7037 0.0000 173.0406 39 Y 4.5914 6.4383 115.3688 56.0193 40.2505 172.8611 40 H 4.6680 8.7768 121.3790 56.1723 30.3546 174.7151 41 F 5.0892 7.8797 119.4785 56.7424 39.5889 173.7316 42 C 4.7254 6.9250 114.9008 56.3163 44.6978 173.2441 43 G 4.2675 8.5836 109.3954 45.3572 0.0000 172.1802 44 G 4.5313 7.6225 104.1856 46.4887 0.0000 172.6178 45 S 5.5188 8.7249 115.3267 56.4435 67.0099 173.6560 46 L 4.6704 9.0910 127.1929 54.7578 42.4366 177.0697 47 I 4.4505 8.3968 119.7241 60.8353 38.4010 174.5108 48 N 4.5085 7.6245 117.5627 52.1630 39.2633 175.2119 49 S 4.2578 8.5104 112.5912 60.9729 63.0746 175.2711 50 Q 4.6047 9.0234 117.8993 55.0171 30.8314 174.9940 51 W 5.5002 8.4455 118.5714 54.8214 33.3056 174.4673 52 V 5.1930 9.1146 123.1972 61.0694 34.5861 174.4324 53 V 4.9670 8.7289 125.9267 60.5805 34.1307 174.9076 54 S 5.0878 8.8517 115.8337 57.8847 66.1267 172.2050 55 A 4.5842 8.5230 121.0318 50.8378 20.1450 178.6003 56 A 3.8583 8.2569 124.3026 55.1626 18.4920 179.2018 57 H 4.5565 8.2971 109.6948 57.4073 28.6988 175.3554 58 C 4.7219 7.7729 117.1120 57.1676 40.5664 173.3684 59 Y 4.2450 7.7734 122.0936 57.6242 38.8086 174.9498 60 K 3.4413 6.7399 123.1250 56.3341 34.5631 174.0197 61 S 4.3956 8.1184 113.9979 57.8814 65.0747 173.3888 62 G 3.5576 8.4010 106.8828 46.5243 0.0000 173.5499 63 I 4.6053 7.2383 118.6289 59.5117 40.2355 176.0753 64 Q 4.7933 8.8169 127.2929 54.2248 31.9172 174.1059 65 V 4.4899 8.8620 126.8936 61.7579 33.5566 174.5634 65A R 5.1264 9.0188 127.1527 54.6737 32.5798 175.1877 66 L 4.7646 8.9939 124.3010 52.6735 45.0544 177.1729 *69 G 4.0192 8.2254 105.1880 46.3053 0.0000 172.7546 70 E 4.6697 8.4157 118.8038 55.1608 30.4145 174.0262 71 D 4.7636 7.8600 117.1795 55.0050 44.0743 174.2400 72 N 5.1068 9.0274 120.3910 52.7159 39.2254 176.2014 73 I 3.9272 8.3398 119.7551 62.2980 37.7602 176.2510 74 N 4.7977 8.6670 118.0492 52.9925 39.3233 174.6439 75 V 4.3208 7.4907 118.3829 60.6592 34.1724 174.9038 76 V 4.0482 8.5215 127.1424 62.8723 31.3784 175.1995 77 E 4.4444 9.2778 127.0032 55.4176 30.3029 176.4489 78 G 4.0124 7.9893 107.1283 45.4761 0.0000 174.5515 79 N 4.9082 8.2184 115.4601 53.0067 39.9757 174.5707 80 E 5.2382 7.8633 118.2983 55.8056 30.8710 176.2676 81 Q 4.3550 8.5083 120.1644 54.2903 32.8025 173.8952 82 F 5.5564 8.7926 122.9405 55.8965 41.2581 175.1020 83 I 4.7118 8.7604 124.3289 59.5445 41.0619 175.5620 84 S 4.7321 8.6485 121.5135 57.9786 64.5772 173.0826 85 A 4.5188 8.1322 123.4837 51.9148 18.7699 177.4901 86 S 4.5492 8.8966 116.2395 59.8437 63.7967 174.3473 87 K 4.6310 7.4328 115.7747 55.9826 35.3409 174.7404 88 S 5.3526 8.7722 117.0151 56.9756 66.4540 173.8010 89 I 4.6249 9.1292 123.8067 59.7049 40.3682 174.7881 90 V 4.2941 8.4928 127.3894 61.8390 32.9431 175.1037 91 H 3.4848 8.5272 126.3945 55.9241 29.9444 174.1554 92 P 4.2470 0.0000 0.0000 65.5501 30.9319 177.0205 93 S 4.7231 7.8519 112.4984 57.9904 63.5187 173.1983 94 Y 4.3171 7.9683 122.9295 57.7078 39.0300 174.4572 95 N 4.5675 8.2122 125.8166 51.3484 39.7042 174.9359 96 S 4.0321 7.6075 120.1875 59.6049 63.5541 175.3266 97 N 4.3991 8.2775 119.1388 55.3662 38.5777 176.0940 98 T 3.9908 7.7247 105.5771 60.8212 69.9592 175.1422 99 L 3.7915 8.0672 120.9686 55.3217 39.7477 173.8166 100 N 4.4849 7.6453 118.1553 54.5648 39.5981 174.6084 101 N 4.6181 8.6920 120.0982 54.2742 35.7505 175.7085 102 D 4.6650 7.8950 117.6864 52.8727 39.8497 174.8034 103 I 4.8991 7.1346 121.0789 59.4084 42.1846 172.9260 104 M 5.4803 9.2864 124.5538 54.0074 35.2216 173.3803 105 L 5.3528 9.2226 120.2339 53.2111 45.1144 175.4950 106 I 4.9855 9.0729 123.6603 59.4662 40.5178 174.3131 107 K 3.6899 8.7292 129.1839 54.6335 33.6312 175.5094 108 L 4.5823 8.2209 127.3595 53.7061 42.2903 177.0072 109 K 4.1597 8.7426 124.3977 59.1066 32.6124 176.9939 110 S 4.6224 7.6711 111.1996 56.0327 66.1615 173.0328 111 A 4.4706 8.3078 122.7277 51.8308 18.8943 177.4034 112 A 4.3689 8.7924 123.4264 51.7743 19.9795 177.2236 113 S 4.6116 9.1641 116.3569 57.2547 63.7964 174.3521 114 L 4.8488 8.4983 125.4691 53.5378 43.6198 176.1981 115 N 4.6604 8.7090 121.8942 52.4817 39.1225 175.2899 116 S 4.3837 8.7612 109.4461 60.7484 63.5992 175.7277 117 R 4.1052 8.9145 119.7273 57.1082 30.4139 175.9930 118 V 4.5818 7.7966 116.9003 60.9688 33.5645 173.5498 119 A 5.1485 8.4402 127.7705 50.5560 23.0471 175.0785 120 S 5.0262 8.6650 114.0432 57.5664 65.1312 173.0417 121 I 4.4924 8.1464 120.6363 59.1265 39.6557 175.5610 122 S 4.3731 8.3953 123.7166 58.2212 63.6226 173.9492 123 L 4.3643 8.0880 123.1830 53.3819 42.5422 175.0858 124 P 4.5921 0.0000 0.0000 62.7147 32.5560 176.1362 125 T 4.1909 8.2142 108.8353 62.3722 70.1587 174.5829 *127 S 5.1218 7.5704 114.5730 58.1509 64.0420 173.9404 128 C 4.4411 8.3969 118.0097 56.5303 40.8230 173.5875 129 A 4.4154 8.0270 124.9863 51.5722 19.6757 177.3206 130 S 4.4166 8.0592 115.4823 56.9987 64.8875 173.5632 *132 A 4.2575 8.1767 124.1501 53.4920 19.2879 176.3631 133 G 4.0784 8.9186 109.5215 45.7137 0.0000 174.7991 134 T 3.9612 7.7126 116.9634 63.7089 69.4403 173.4447 135 Q 4.8177 8.5604 127.0835 55.3508 30.5132 175.0354 136 C 5.2838 9.3898 122.4387 55.1078 46.6284 172.2583 137 L 5.1892 8.9769 122.3057 53.5216 44.1175 174.9994 138 I 5.3715 9.1750 127.2741 58.7404 40.1947 174.8374 139 S 4.9386 8.9284 119.4732 56.2032 66.7308 173.0309 140 G 3.8095 7.3167 108.6898 46.1197 0.0000 172.7996 141 W 4.6329 8.4501 116.9491 56.3208 29.2475 176.9266 142 G 4.1308 8.4175 107.6443 45.2191 0.0000 173.4069 143 N 3.8649 8.5102 119.2241 54.2749 39.0498 174.6593 144 T 5.1989 8.1998 113.5609 60.6021 69.6928 174.0934 145 K 4.6734 7.9501 120.9743 54.8238 35.0629 176.2265 146 S 4.4224 8.5554 115.8219 59.6980 63.8268 174.5884 147 S 4.4535 7.8511 116.3798 57.7313 65.7818 174.3387 148 G 3.9817 9.7658 111.6994 44.8442 0.0000 171.8373 149 T 4.9156 7.6800 106.8361 60.3737 72.2857 174.0103 150 S 4.4452 9.2096 116.6265 58.2213 65.9693 172.8868 151 Y 4.9699 8.8471 125.8860 55.6645 39.3301 174.2339 152 P 4.7113 0.0000 0.0000 62.3741 33.0355 175.6160 153 D 4.6800 8.6672 118.4229 55.5174 41.7302 176.8864 154 V 5.4913 7.4325 110.4159 58.3137 34.6859 175.6783 155 L 3.2898 8.3215 123.7122 55.1354 42.9888 176.0370 156 K 4.8586 8.1801 124.7281 54.8723 35.3252 174.5350 157 C 5.3051 8.5872 119.3112 55.2229 42.6780 172.9326 158 L 5.0600 8.5981 122.1323 53.8016 45.6346 174.4618 159 K 5.1823 8.9797 125.1360 54.9642 33.8090 175.5691 160 A 4.8277 9.0550 126.1128 49.7912 23.1784 173.4232 161 P 5.0228 0.0000 0.0000 61.9172 33.9272 175.0053 162 I 4.3753 8.2906 122.0778 61.1451 38.3010 175.6331 163 L 4.9303 8.6970 126.9154 53.0024 43.6613 176.8613 164 S 4.3579 8.4186 114.9230 58.2631 63.8302 175.2343 165 D 4.4610 8.6408 121.7453 57.2155 40.4642 179.2967 166 S 4.1314 7.9905 114.7284 61.6271 63.2018 176.5891 167 S 4.0970 8.3924 119.5168 61.1042 62.5369 175.8136 168 C 4.3127 8.3405 121.1287 59.8963 41.7165 175.9500 169 K 4.0142 8.4654 120.2949 59.5189 31.3644 179.6505 170 S 4.2646 8.1955 114.7920 61.3149 62.7588 176.1469 171 A 4.0696 7.8493 122.9133 53.5780 19.7839 177.2778 172 Y 4.8545 7.8080 114.3259 55.0909 38.2221 173.1647 173 P 4.5428 0.0000 0.0000 63.5301 32.1195 177.2684 174 G 4.0333 8.9762 107.7604 46.4618 0.0000 173.8246 175 Q 4.5867 8.2132 116.4490 55.0696 30.8283 175.5467 176 I 4.4126 7.8949 119.3340 60.0351 38.4527 175.3013 177 T 4.6080 8.1818 115.3009 59.6485 71.0688 174.9258 178 S 4.3788 8.5602 114.4607 60.1438 63.2741 174.2448 179 N 5.0012 8.2143 118.6202 53.3411 38.5700 173.7942 180 M 5.6164 7.8185 117.2868 53.8423 36.2456 174.5549 181 F 5.0997 8.7399 114.9583 55.9073 42.1203 172.4694 182 C 5.5382 9.0278 116.3183 55.6636 41.5314 172.7010 183 A 5.0113 9.1793 122.3161 50.8582 22.4786 176.5683 184 G 3.7021 6.9519 107.5911 44.8648 0.0000 172.1651 184A Y 4.6723 8.2198 119.8125 55.9718 40.5263 176.4979 185 L 4.0634 8.6439 125.6901 57.1038 42.0135 179.0713 186 E 4.1452 8.2159 115.7439 57.1870 30.0929 177.2040 187 G 3.7771 7.8601 106.6409 44.7524 0.0000 171.4584 188 G 4.2005 9.0131 106.2799 44.6511 0.0000 174.2502 188A K 4.8708 7.2320 117.1435 54.6827 35.5025 175.3672 189 D 4.5990 8.8057 123.1751 54.0303 45.7445 174.8756 190 S 4.9181 8.7629 116.6506 57.9915 65.3577 172.9220 191 C 4.7295 9.2491 118.4760 55.5352 45.2413 172.2126 192 Q 4.3034 8.6757 118.5460 58.0598 28.4783 177.7789 193 G 4.3160 9.3268 110.6896 45.7931 0.0000 174.0664 194 D 4.6745 8.4857 118.6207 55.3990 41.6606 176.6203 195 S 4.4407 8.0301 114.9169 60.3028 63.4944 175.4040 196 G 3.9738 8.8601 113.0458 46.4383 0.0000 173.6933 197 G 4.4724 7.9133 107.4291 45.1203 0.0000 171.0611 198 P 5.2315 0.0000 0.0000 62.0963 33.7403 175.6824 199 V 4.5796 8.4433 120.2938 61.4733 34.3560 173.9676 200 V 4.8153 8.6746 128.6665 61.2266 34.1718 173.6938 201 C 5.0964 8.6604 124.4329 55.5530 43.8362 174.5898 202 S 3.4254 9.7461 120.5988 59.7676 60.0253 173.2858 203 G 3.9280 8.4582 104.3726 45.7061 0.0000 173.8794 204 K 4.7055 7.5679 117.6033 52.9117 35.4442 175.4284 *209 L 4.2965 8.2823 122.3484 55.4371 42.5167 175.9519 210 Q 4.5601 8.8928 125.6331 56.5852 31.2591 175.6892 211 G 5.3827 7.9802 104.4532 45.8603 0.0000 171.4333 212 I 5.2432 8.1882 119.2578 58.9113 41.2588 175.2950 213 V 3.6566 8.9020 127.2208 63.9985 31.7647 174.2140 214 S 4.9884 8.5144 121.4491 58.6189 64.2220 174.9104 215 W 5.0346 7.5130 114.6326 56.3319 31.8547 172.7641 216 G 4.0581 8.4787 107.0959 46.7687 0.0000 173.1976 217 S 4.6715 8.4418 117.1424 57.0952 63.0134 173.8450 *219 G 4.1418 8.0161 115.6514 45.6301 0.0000 171.0139 220 C 4.9366 8.1108 115.1498 56.4766 43.9042 173.8919 221 A 4.0004 9.3051 126.0547 53.2430 16.7669 177.0067 221A Q 4.6006 7.2940 117.5782 55.9776 29.9797 175.9052 222 K 4.1891 8.4652 121.8198 58.1079 32.6852 175.9327 223 N 4.2530 9.2179 121.1613 54.0562 37.0433 175.3874 224 K 4.2444 7.5846 116.2881 53.7726 32.2840 173.6495 225 P 4.6379 0.0000 0.0000 62.0619 33.2766 177.0970 226 G 3.7124 8.4139 105.6913 45.8073 0.0000 172.9048 227 V 4.4389 7.4918 121.7171 60.7001 34.1967 174.1045 228 Y 4.8966 8.2886 124.1690 56.0214 42.0891 174.9887 229 T 4.4602 8.5342 119.6779 63.5800 70.1970 174.3685 230 K 5.1040 9.2643 127.8676 55.2441 31.5228 177.1638 231 V 3.9714 8.7152 126.1580 65.9789 31.3814 174.8824 232 C 4.4573 8.3846 112.5965 58.5051 41.3615 174.9558 233 N 4.2165 7.9611 116.5052 54.5248 38.5659 175.5761 234 Y 4.7772 8.1000 117.7527 57.4976 38.7455 177.2807 235 V 3.6894 7.9146 120.8018 66.3811 31.4689 177.9348 236 S 4.1196 8.0851 114.1911 61.2337 62.7198 176.2378 237 W 4.1879 8.2901 130.5619 60.5184 30.5140 177.6830 238 I 3.0579 8.3261 120.0491 64.2791 36.7026 178.4459 239 K 3.7610 8.1064 119.4072 59.5298 31.6883 179.4730 240 Q 3.9329 7.9562 116.8257 59.3706 28.7948 178.4675 241 T 3.7355 7.5942 117.6771 66.4367 68.0571 176.7010 242 I 2.6796 7.0905 121.3728 64.0100 36.7433 178.3285 243 A 4.1555 7.5823 120.0664 53.9738 18.1700 178.2484 244 S 4.7171 7.4547 111.3980 58.2384 63.6582 174.0563 245 N 4.6710 7.9712 122.9333 53.6916 39.5258 174.1790 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 16 I 7.88 4.28 1.79 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 1.38 0.69 0.92 0.00 0.00 17 V 8.68 4.31 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 1.03 0.00 0.00 0.90 0.00 0.00 18 G 8.99 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 19 G 7.85 4.45 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 0.00 20 Y 8.18 5.09 0.00 2.93 2.97 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 21 T 8.56 4.26 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 1.22 0.00 0.00 22 C 8.49 4.22 0.00 2.87 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 23 G 8.43 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 24 A 8.66 4.09 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 25 N 8.78 4.22 0.00 2.83 2.89 0.00 0.00 7.27 7.57 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 26 T 7.52 4.27 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 1.29 0.00 0.00 27 V 6.98 4.05 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 0.47 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.48 0.00 2.37 2.43 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 29 Y 6.68 4.94 0.00 3.26 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 30 Q 7.48 4.48 0.00 1.81 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.55 0.00 0.00 0.00 0.00 0.00 1.88 2.47 0.00 31 V 8.87 4.88 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 1.02 0.00 0.00 1.02 0.00 0.00 32 S 8.94 5.00 0.00 3.02 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.61 4.63 0.00 0.54 0.97 0.80 0.24 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 34 N 9.13 6.05 0.00 2.44 2.49 0.00 0.00 6.60 6.95 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 *37 S 8.40 4.27 0.00 3.68 3.63 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 38 G 9.42 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.44 4.59 0.00 3.16 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 40 H 8.78 4.67 0.00 2.88 3.20 0.00 5.86 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 41 F 7.88 5.09 0.00 3.09 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 42 C 6.93 4.73 0.00 2.23 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.58 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.62 4.53 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 0.00 0.00 0.00 45 S 8.72 5.52 0.00 3.81 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 46 L 9.09 4.67 0.00 1.88 1.67 1.05 0.80 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 47 I 8.40 4.45 1.89 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 1.59 0.89 1.00 0.00 0.00 48 N 7.62 4.51 0.00 2.97 2.98 0.00 0.00 6.17 7.68 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 49 S 8.51 4.26 0.00 4.05 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 50 Q 9.02 4.60 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 51 W 8.45 5.50 0.00 3.30 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 52 V 9.11 5.19 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 1.17 0.00 0.00 0.99 0.00 0.00 53 V 8.73 4.97 2.16 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 0.84 0.00 0.00 1.02 0.00 0.00 54 S 8.85 5.09 0.00 3.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.52 4.58 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.26 3.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.30 4.56 0.00 3.38 3.57 0.00 5.55 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 58 C 7.77 4.72 0.00 3.23 3.32 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 0.00 59 Y 7.77 4.25 0.00 2.94 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 60 K 6.74 3.44 0.00 1.45 1.34 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.64 0.91 7.81 61 S 8.12 4.40 0.00 3.92 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 62 G 8.40 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.24 4.61 1.87 0.00 0.00 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 1.39 1.01 0.93 0.00 0.00 64 Q 8.82 4.79 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.87 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 65 V 8.86 4.49 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 0.94 0.00 0.00 0.91 0.00 0.00 65A R 9.02 5.13 0.00 1.67 1.76 0.00 2.67 0.00 0.00 2.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.23 0.00 66 L 8.99 4.76 0.00 1.62 1.63 0.96 0.91 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 *69 G 8.23 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 70 E 8.42 4.67 0.00 2.15 1.95 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 2.38 2.10 0.00 71 D 7.86 4.76 0.00 2.76 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 72 N 9.03 5.11 0.00 2.82 2.80 0.00 0.00 7.22 8.54 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 73 I 8.34 3.93 1.45 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 -0.42 0.00 0.00 74 N 8.67 4.80 0.00 2.80 2.87 0.00 0.00 6.62 7.49 0.00 0.00 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 V 7.49 4.32 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 0.87 0.00 0.00 1.00 0.00 0.00 76 V 8.52 4.05 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 0.78 0.00 0.00 1.03 0.00 0.00 77 E 9.28 4.44 0.00 1.99 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 2.28 2.49 0.00 78 G 7.99 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 0.00 0.00 0.00 79 N 8.22 4.91 0.00 2.83 2.81 0.00 0.00 7.19 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 80 E 7.86 5.24 0.00 1.43 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.31 0.00 81 Q 8.51 4.36 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 82 F 8.79 5.56 0.00 2.81 2.77 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 83 I 8.76 4.71 1.88 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 1.24 0.72 0.95 0.00 0.00 84 S 8.65 4.73 0.00 3.75 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 85 A 8.13 4.52 1.25 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 0.00 0.00 86 S 8.90 4.55 0.00 3.74 3.72 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 87 K 7.43 4.63 0.00 1.86 1.83 0.00 1.64 0.00 0.00 1.91 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.43 7.81 88 S 8.77 5.35 0.00 3.96 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 89 I 9.13 4.62 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 1.15 0.00 0.00 90 V 8.49 4.29 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 0.63 0.00 0.00 0.76 0.00 0.00 91 H 8.53 3.48 0.00 2.84 3.07 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.25 0.00 2.15 2.18 0.00 2.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.87 0.00 93 S 7.85 4.72 0.00 3.93 3.90 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 94 Y 7.97 4.32 0.00 2.94 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 95 N 8.21 4.57 0.00 2.59 2.47 0.00 0.00 6.52 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 96 S 7.61 4.03 0.00 3.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.28 4.40 0.00 2.74 2.79 0.00 0.00 6.81 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 98 T 7.72 3.99 4.12 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 1.11 0.00 0.00 99 L 8.07 3.79 0.00 1.41 1.87 0.60 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.65 4.48 0.00 2.76 2.65 0.00 0.00 7.27 6.58 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 0.00 101 N 8.69 4.62 0.00 3.08 2.64 0.00 0.00 7.25 8.28 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 0.00 102 D 7.90 4.67 0.00 3.07 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 0.00 103 I 7.13 4.90 1.47 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 1.56 1.11 0.08 0.00 0.00 104 M 9.29 5.48 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 105 L 9.22 5.35 0.00 1.68 1.85 -0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.07 4.99 1.93 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 1.20 0.85 0.89 0.00 0.00 107 K 8.73 3.69 0.00 0.79 1.07 0.00 1.37 0.00 0.00 1.35 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.71 0.21 7.81 108 L 8.22 4.58 0.00 1.47 1.54 0.97 0.84 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 0.00 109 K 8.74 4.16 0.00 1.92 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.35 7.81 110 S 7.67 4.62 0.00 3.93 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 0.00 111 A 8.31 4.47 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.79 4.37 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 0.00 113 S 9.16 4.61 0.00 3.72 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.50 4.85 0.00 1.65 1.61 0.99 1.06 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 0.00 115 N 8.71 4.66 0.00 2.74 2.66 0.00 0.00 6.99 7.70 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 0.00 116 S 8.76 4.38 0.00 4.01 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 0.00 117 R 8.91 4.11 0.00 1.85 2.01 0.00 3.07 0.00 0.00 3.10 7.38 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.57 5.12 0.00 4.00 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 0.00 128 C 8.40 4.44 0.00 2.94 2.99 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 0.00 0.00 0.00 129 A 8.03 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.06 4.42 0.00 3.83 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 *132 A 8.18 4.26 1.26 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 0.00 0.00 133 G 8.92 4.08 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 0.00 0.00 0.00 134 T 7.71 3.96 4.17 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 1.14 0.00 0.00 135 Q 8.56 4.82 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 136 C 9.39 5.28 0.00 2.76 2.99 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 0.00 0.00 0.00 137 L 8.98 5.19 0.00 1.76 1.56 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.17 5.37 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.60 1.02 0.00 0.00 139 S 8.93 4.94 0.00 3.51 3.60 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 0.00 140 G 7.32 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 0.00 141 W 8.45 4.63 0.00 3.19 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 0.00 142 G 8.42 4.13 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 0.00 0.00 0.00 143 N 8.51 3.86 0.00 2.15 2.55 0.00 0.00 7.30 7.20 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 0.00 144 T 8.20 5.20 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 145 K 7.95 4.67 0.00 1.68 1.88 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.31 1.34 7.81 146 S 8.56 4.42 0.00 3.98 4.17 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 0.00 147 S 7.85 4.45 0.00 3.82 3.77 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 0.00 148 G 9.77 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 0.00 149 T 7.68 4.92 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 150 S 9.21 4.45 0.00 3.86 3.69 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 0.00 151 Y 8.85 4.97 0.00 2.90 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 0.00 152 P 0.00 4.71 0.00 2.42 2.08 0.00 4.09 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 153 D 8.67 4.68 0.00 2.79 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 0.00 154 V 7.43 5.49 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 1.06 0.00 0.00 0.97 0.00 0.00 155 L 8.32 3.29 0.00 1.35 1.27 -0.66 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.18 4.86 0.00 1.69 1.51 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 157 C 8.59 5.31 0.00 1.38 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 0.00 0.00 0.00 0.00 158 L 8.60 5.06 0.00 1.73 1.46 1.09 0.75 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 0.00 159 K 8.98 5.18 0.00 1.80 1.81 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.66 7.81 160 A 9.06 4.83 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 0.00 161 P 0.00 5.02 0.00 2.03 2.28 0.00 3.16 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 162 I 8.29 4.38 1.74 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.64 0.76 0.00 0.00 163 L 8.70 4.93 0.00 1.55 1.60 0.92 0.77 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 0.00 164 S 8.42 4.36 0.00 4.00 3.99 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 0.00 0.00 0.00 165 D 8.64 4.46 0.00 2.74 2.80 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 0.00 166 S 7.99 4.13 0.00 4.06 4.13 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 0.00 167 S 8.39 4.10 0.00 3.98 3.96 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 0.00 168 C 8.34 4.31 0.00 3.18 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 0.00 169 K 8.47 4.01 0.00 1.87 1.90 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.73 7.81 170 S 8.20 4.26 0.00 4.02 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 0.00 171 A 7.85 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.81 4.85 0.00 3.06 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 0.00 173 P 0.00 4.54 0.00 2.21 2.11 0.00 3.65 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 174 G 8.98 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 0.00 0.00 0.00 175 Q 8.21 4.59 0.00 2.46 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 7.03 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 176 I 7.89 4.41 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.07 0.99 0.00 0.00 177 T 8.18 4.61 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 1.28 0.00 0.00 178 S 8.56 4.38 0.00 4.01 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 0.00 179 N 8.21 5.00 0.00 3.09 3.09 0.00 0.00 6.64 7.38 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 0.00 180 M 7.82 5.62 0.00 1.78 1.98 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 181 F 8.74 5.10 0.00 3.07 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 0.00 182 C 9.03 5.54 0.00 2.97 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 0.00 183 A 9.18 5.01 1.16 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 0.00 184 G 6.95 3.70 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 184A Y 8.22 4.67 0.00 3.03 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 0.00 185 L 8.64 4.06 0.00 1.73 1.73 0.92 0.87 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 0.00 186 E 8.22 4.15 0.00 2.10 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 0.00 2.36 2.26 0.00 187 G 7.86 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 0.00 188 G 9.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188A K 7.23 4.87 0.00 1.60 1.76 0.00 1.19 0.00 0.00 1.52 0.00 0.00 2.44 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.15 7.81 189 D 8.81 4.60 0.00 2.83 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.76 4.92 0.00 3.99 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 0.00 191 C 9.25 4.73 0.00 2.92 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 0.00 192 Q 8.68 4.30 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 5.32 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 193 G 9.33 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 0.00 0.00 0.00 0.00 194 D 8.49 4.67 0.00 2.95 2.78 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 0.00 195 S 8.03 4.44 0.00 4.00 3.96 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 0.00 196 G 8.86 3.97 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 0.00 197 G 7.91 4.47 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 0.00 198 P 0.00 5.23 0.00 2.28 2.33 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 199 V 8.44 4.58 2.28 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 0.82 0.00 0.00 0.66 0.00 0.00 200 V 8.67 4.82 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 0.85 0.00 0.00 0.56 0.00 0.00 201 C 8.66 5.10 0.00 2.80 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 0.00 202 S 9.75 3.43 0.00 3.95 3.90 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 0.00 203 G 8.46 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 0.00 204 K 7.57 4.71 0.00 1.73 1.63 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.40 7.81 *209 L 8.28 4.30 0.00 1.49 1.62 1.01 0.74 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 0.00 210 Q 8.89 4.56 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.31 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 211 G 7.98 5.38 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 0.00 212 I 8.19 5.24 1.92 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 1.30 1.12 0.98 0.00 0.00 213 V 8.90 3.66 2.35 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 1.06 0.00 0.00 1.18 0.00 0.00 214 S 8.51 4.99 0.00 3.89 3.77 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 0.00 215 W 7.51 5.03 0.00 3.34 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 0.00 216 G 8.48 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.44 4.67 0.00 4.14 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 *219 G 8.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 C 8.11 4.94 0.00 2.95 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 0.00 221 A 9.31 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A Q 7.29 4.60 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.25 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 222 K 8.47 4.19 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.57 7.81 223 N 9.22 4.25 0.00 2.78 2.78 0.00 0.00 6.75 7.47 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 0.00 224 K 7.58 4.24 0.00 1.73 1.79 0.00 1.57 0.00 0.00 1.22 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.48 7.81 225 P 0.00 4.64 0.00 2.13 2.11 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 226 G 8.41 3.71 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 0.00 227 V 7.49 4.44 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 0.00 0.00 0.52 0.00 0.00 -0.62 0.00 0.00 228 Y 8.29 4.90 0.00 1.43 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 0.00 229 T 8.53 4.46 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 1.21 0.00 0.00 230 K 9.26 5.10 0.00 2.14 1.92 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.62 7.81 231 V 8.72 3.97 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 1.08 0.00 0.00 1.15 0.00 0.00 232 C 8.38 4.46 0.00 3.17 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 7.96 4.22 0.00 2.32 2.41 0.00 0.00 7.00 7.27 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 0.00 234 Y 8.10 4.78 0.00 3.20 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 0.00 235 V 7.91 3.69 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 1.11 0.00 0.00 1.11 0.00 0.00 236 S 8.09 4.12 0.00 3.97 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 0.00 237 W 8.29 4.19 0.00 3.43 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 0.00 238 I 8.33 3.06 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.00 0.71 0.00 0.00 239 K 8.11 3.76 0.00 1.72 1.78 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.56 7.81 240 Q 7.96 3.93 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.14 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 241 T 7.59 3.74 3.60 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 0.79 0.00 0.00 242 I 7.09 2.68 1.45 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.18 0.60 0.00 0.00 243 A 7.58 4.16 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 0.00 244 S 7.45 4.72 0.00 3.83 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 0.00 245 N 7.97 4.67 0.00 3.09 2.93 0.00 0.00 6.74 7.64 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 * Residues marked with a * may have inaccurate shift predictions.