NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3817 8.3033 116.7515 55.2565 31.5205 176.4060 7 L 3.5237 8.6071 122.5613 56.7198 41.5991 177.3563 8 F 4.8483 7.8736 115.3039 57.4742 40.1052 176.5922 9 T 4.0552 8.3043 114.0497 64.5705 69.0643 174.6947 10 G 4.0784 7.6975 112.3882 44.5978 0.0000 172.1573 11 V 4.6216 8.2167 120.1709 61.0186 33.4130 176.7642 12 V 4.7211 8.7122 126.7227 60.4276 34.3471 173.0129 13 P 4.9772 0.0000 0.0000 62.8804 33.1425 175.0418 14 I 5.8218 8.6816 121.5985 58.8142 41.6599 173.9436 15 L 5.1924 8.5831 127.2061 53.2802 45.9225 175.0777 16 V 4.9851 9.2292 123.7387 61.4116 35.1388 173.6537 17 E 4.9187 9.1627 127.7848 54.5979 31.9822 174.7304 18 L 5.1550 8.6994 126.4444 53.1824 45.7013 174.6946 19 D 4.8445 9.0068 125.7829 52.4741 43.5827 175.3701 20 G 3.5821 7.5154 110.3988 43.6489 0.0000 171.5129 21 D 5.4019 7.8031 119.6579 53.5145 44.4146 174.0563 22 V 4.8660 8.2316 125.6933 61.7221 35.0711 175.0071 23 N 4.2944 9.8484 125.2581 54.3798 36.7021 176.2818 24 G 4.0262 8.5497 104.9787 45.8250 0.0000 173.9866 25 H 4.6011 8.0855 118.8677 55.2301 29.1014 175.0206 26 K 4.7874 8.5403 124.4084 56.3758 33.1827 176.2596 27 F 4.8060 8.0288 114.5749 56.6219 41.5378 172.7230 28 S 5.0369 9.2028 114.9996 56.8784 66.5096 172.7028 29 V 5.6619 8.7449 125.8027 60.3020 34.5237 173.7522 30 S 5.3476 8.6215 121.0419 56.6588 64.4440 172.9684 31 G 4.5470 9.6452 114.8656 44.6256 0.0000 171.5110 32 E 5.0678 7.9635 118.2726 55.0572 33.3007 175.4246 33 G 3.6698 7.9450 108.4930 46.0757 0.0000 171.5001 34 E 5.1568 7.9638 118.7353 54.8268 34.5283 175.7033 35 G 4.0283 8.6831 107.8719 45.3492 0.0000 171.4637 36 D 5.4113 9.2386 126.5462 52.7989 42.0877 177.0722 37 A 4.8422 9.0399 129.7426 55.0804 18.7149 179.0717 38 T 3.6518 7.9439 111.0914 66.1411 68.4429 174.1983 39 Y 4.7370 7.3740 115.7804 56.7384 40.1518 175.1379 40 G 4.5889 8.4973 107.0033 45.3118 0.0000 172.5786 41 K 5.1036 8.0310 121.0489 54.5698 34.2447 175.3049 42 L 5.0620 8.7826 126.7648 53.3253 45.9946 175.7688 43 T 4.7951 8.9504 117.6541 62.2003 72.9427 173.0769 44 L 4.8513 8.4880 125.5580 52.9931 46.8339 174.7019 45 K 4.5694 8.5894 124.0317 54.4668 35.1306 174.6570 46 F 5.2692 8.4925 125.2657 55.7894 42.2730 173.9196 47 I 4.8673 8.9405 125.4725 59.7444 39.5625 175.0343 48 C 5.0820 9.7863 128.9272 59.2280 30.2773 173.9941 49 T 4.0422 9.2057 117.2438 63.9098 68.5189 175.8728 50 T 4.2737 8.5659 110.4383 61.5369 70.5981 172.8630 51 G 3.6751 7.3166 115.4532 44.4680 0.0000 175.4975 52 K 4.3340 8.5353 129.7889 51.7773 33.7520 178.0663 53 L 3.5281 8.6252 127.7879 53.8821 42.0191 176.3147 54 P 4.1604 0.0000 0.0000 64.6411 31.5583 177.1082 55 V 4.2309 6.1170 106.4646 58.0989 34.1594 173.7825 56 P 4.2975 0.0000 0.0000 62.6653 32.0562 177.4847 57 W 4.1812 9.0100 121.6443 59.6875 29.5415 176.8252 58 P 4.2991 0.0000 0.0000 65.8885 30.8222 178.2917 59 T 4.1729 7.5470 104.4999 63.2495 68.5773 174.3145 60 L 4.9199 8.2598 121.7771 54.4727 43.3787 178.3574 61 V 3.4879 8.3084 121.0038 66.2751 31.1326 178.1531 62 T 3.9845 8.0519 107.6291 64.6715 68.8270 176.4265 63 T 4.1742 7.2959 116.3690 66.1344 69.6802 176.9126 64 L 4.1715 7.4560 120.7146 54.2982 39.4369 178.2579 *68 V 4.2253 7.3999 109.3127 60.9970 33.5017 177.9403 69 Q 3.8028 8.2143 119.7465 58.4648 29.0160 178.9645 70 C 4.2085 7.9678 111.1415 59.3861 29.7853 174.0529 71 F 4.3431 8.2996 119.6010 57.3609 39.3678 175.8015 72 S 4.7018 7.7378 116.0185 58.2610 64.0249 173.7233 73 R 4.4392 8.4100 121.4046 55.6074 31.3091 174.4905 74 Y 4.5161 8.5208 124.9217 55.5545 39.2723 173.8869 75 P 4.2964 0.0000 0.0000 62.3556 32.7449 177.2304 76 D 4.4277 8.8994 120.0537 58.0894 40.4519 179.0822 77 H 4.3289 8.2309 113.9787 58.5827 28.8949 176.5977 78 M 4.4099 7.7205 118.9956 55.7346 31.8917 177.9423 79 K 3.2483 7.5893 118.9838 59.0231 32.3149 177.6568 80 R 4.1047 7.8379 113.2152 57.5722 30.0319 176.5400 81 H 4.7607 8.8154 116.5454 55.8560 28.7229 175.3442 82 D 3.7815 7.3671 121.3110 52.7666 40.1466 176.1297 83 F 3.9644 8.3518 128.3408 60.6553 39.4685 176.2612 84 F 3.5192 8.0960 116.0654 60.4752 38.9379 177.1740 85 K 4.3003 8.0654 115.8010 57.7599 31.8028 179.2982 86 S 3.9523 7.1334 113.2214 61.2904 62.7738 175.2552 87 A 3.9634 7.7032 123.8146 54.5458 18.0756 177.8201 88 M 4.4144 7.1705 116.2252 55.2943 32.7190 174.3111 89 P 5.0875 0.0000 0.0000 62.9313 31.6755 177.0197 90 E 4.0523 7.9057 118.3871 57.6145 29.8294 178.0199 91 G 3.8956 9.4027 107.7928 45.0094 0.0000 171.2613 92 Y 5.1242 7.7626 114.4255 55.9900 41.7878 173.8605 93 V 4.8308 9.2418 122.2372 61.7279 33.8182 174.2143 94 Q 5.2305 9.1321 128.4535 54.4376 31.8925 173.6805 95 E 5.3641 9.3930 125.9811 54.8040 32.8606 175.3219 96 R 5.2911 9.5620 121.6944 54.9103 35.3877 174.3771 97 T 4.8678 9.2445 118.8731 62.0841 71.5970 172.8764 98 I 4.5782 8.8302 128.3320 59.2504 40.0777 174.9089 99 F 4.7449 9.0530 125.6362 55.7518 41.3462 174.3108 100 F 5.1450 8.4899 123.3815 55.4595 40.1236 176.0639 101 K 3.6971 9.3838 126.2712 57.5695 32.4235 176.3174 102 D 4.4938 8.6937 127.9454 54.6597 39.1153 172.3017 103 D 4.2382 7.6220 119.4284 54.3010 44.8968 172.5104 104 G 3.0157 7.6064 107.4015 44.2893 0.0000 171.0492 105 N 5.3626 7.9806 117.1783 51.6844 40.9423 173.5818 106 Y 5.6259 9.0261 120.4750 56.9830 40.5628 174.7677 107 K 5.1954 9.6256 122.3526 54.9683 36.2703 175.4994 108 T 5.4623 9.0811 114.2846 59.0614 72.5543 172.6983 109 R 5.1500 8.6923 123.4702 54.6314 33.4872 173.8363 110 A 5.1880 9.7899 127.3114 50.2955 23.6540 174.7713 111 E 4.8327 9.1237 118.7398 54.8161 32.5569 175.9619 112 V 5.4041 8.5901 118.9823 58.5305 34.2856 175.2955 113 K 4.7210 8.0730 123.5816 54.8493 36.8177 175.2801 114 F 4.2048 8.4235 119.6610 57.0807 38.8765 176.9346 115 E 4.6073 8.3760 126.9797 53.1853 30.0011 175.2190 116 G 4.1844 8.7217 111.9584 44.3494 0.0000 172.8936 117 D 4.7166 9.2988 123.2184 53.1149 42.1572 176.3319 118 T 4.6730 7.7877 117.5437 61.7698 70.2472 173.9081 119 L 3.8415 8.8641 130.2092 55.1946 43.3007 175.6446 120 V 4.8468 8.5734 126.8142 61.1087 34.1471 173.5046 121 N 5.2885 8.8999 126.6882 51.9532 41.2745 173.3860 122 R 5.1138 9.3806 125.4431 54.5898 33.3574 174.4516 123 I 5.0069 9.3828 120.8202 59.6117 41.2595 175.4012 124 E 4.9369 8.6445 120.9987 54.9246 33.3214 174.8513 125 L 4.9517 8.8967 128.6793 52.2471 44.2667 175.0549 126 K 4.9888 9.4001 127.5982 54.7377 35.3985 174.8810 127 G 5.5333 9.0795 112.6421 46.0753 0.0000 171.5123 128 I 5.2044 8.5952 114.8869 60.6483 41.1155 175.1617 129 D 4.7300 9.0178 121.8473 54.0298 37.9924 174.8569 130 F 4.3794 7.8727 118.4331 56.9326 39.0785 175.3544 131 K 4.1807 9.6387 127.3358 56.4649 32.2965 177.3278 132 E 4.7029 8.6813 121.5488 56.4813 29.8090 177.0062 133 D 4.6838 7.8890 115.3865 53.0669 42.5002 175.8363 134 G 3.9514 8.1886 108.0246 43.9025 0.0000 174.3620 135 N 4.3068 8.6087 118.5768 56.7153 38.3798 177.2308 136 I 3.3952 7.2338 118.1342 64.4493 37.4198 177.9603 137 L 4.1699 7.8233 118.6544 57.7113 41.6633 180.3109 138 G 3.8219 8.2286 106.0143 48.5040 0.0000 173.8054 139 H 3.8585 7.2471 112.6965 56.4455 26.5019 175.2424 140 K 4.7419 7.9197 118.2235 55.4830 33.9338 177.9136 141 L 4.8708 7.6950 120.7532 53.8802 42.9902 176.6122 142 E 4.2420 9.1175 123.0479 56.3896 31.0724 176.2192 143 Y 4.2480 8.6632 124.4177 57.0879 37.8356 174.1115 144 N 4.0964 7.7808 122.7121 54.2544 40.6202 172.8033 145 Y 4.6165 7.8197 116.5978 57.8462 42.2093 173.3589 146 N 5.2125 7.8830 119.9806 51.6062 41.8964 173.8913 147 S 4.9277 8.0655 113.1506 58.2279 66.4935 173.0391 148 H 4.9359 8.4018 117.8921 54.9245 34.0905 171.8042 149 N 5.0807 8.7196 116.0561 51.7041 40.7868 174.7322 150 V 3.8248 8.4810 125.4413 61.3358 33.1977 174.1376 151 Y 5.0242 8.4849 126.4795 57.3446 39.4224 174.8082 152 I 5.1716 8.9607 124.5300 59.9627 41.3700 174.6264 153 M 4.8155 9.1957 124.1563 53.5771 36.5291 174.1019 154 A 4.1297 8.7791 125.4895 52.0789 18.6306 176.5469 155 D 4.3335 8.0528 121.5721 54.7432 40.6117 176.2800 156 K 4.1125 8.7392 126.8336 59.4689 32.2985 179.0576 157 Q 4.0455 8.3596 118.9646 59.8674 28.9808 178.5441 158 K 4.1055 8.7268 118.9048 54.1735 31.7102 178.5457 159 N 4.3128 7.7603 114.2423 55.1293 39.0676 174.4440 160 G 4.0715 7.4031 103.9386 45.8060 0.0000 172.8161 161 I 4.9519 8.5022 116.0917 59.1291 41.8336 174.8307 162 K 5.1317 9.2452 121.7414 54.7902 35.8054 175.2855 163 A 5.6112 9.3272 124.1633 50.4088 23.1874 175.0647 164 N 5.3094 9.1643 119.7063 52.8778 41.6028 173.3937 165 F 5.1678 8.2813 120.0814 55.5796 41.7057 172.7698 166 K 4.7376 8.7881 120.4971 54.7072 34.6368 175.0210 167 I 4.3921 8.2444 126.2626 59.4068 40.6184 174.6855 168 R 5.0989 8.3023 124.0714 54.8497 32.5130 174.6890 169 H 4.8316 9.4185 122.6760 54.3664 30.8073 174.4235 170 N 5.0978 8.7773 120.5653 52.9649 40.2866 174.2556 171 I 4.9313 8.5866 123.6677 59.4358 39.5271 176.6855 172 E 4.5695 9.6698 123.2256 58.1981 29.5053 177.8662 173 D 4.6745 7.9840 119.3667 52.8938 40.1543 178.8035 174 G 4.1000 7.9663 114.2287 47.7121 0.0000 175.4531 175 S 3.8454 8.1619 114.9707 58.2510 63.1045 173.9253 176 V 4.4331 8.0948 125.5148 61.2934 31.1131 174.0261 177 Q 4.1443 9.3280 129.5056 56.0118 30.1343 174.5821 178 L 4.8411 8.6869 126.9725 53.9408 43.7697 175.6796 179 A 4.7790 9.5776 126.8218 49.6838 20.7036 174.1895 180 D 4.5505 9.2896 121.8287 55.2649 42.2245 175.2684 181 H 4.9766 8.1387 120.0527 54.0355 32.1963 172.7141 182 Y 4.5681 8.8592 120.2201 56.2711 40.3981 173.6881 183 Q 5.1258 9.5993 126.8013 54.2658 31.3905 173.7651 184 Q 5.0983 9.1381 127.9700 54.3388 32.1167 173.6689 185 N 5.7261 9.1010 123.6667 51.6253 42.2591 173.5282 186 T 4.9465 8.8979 113.2574 58.8340 72.0237 171.7920 187 P 4.8656 0.0000 0.0000 63.9633 31.5453 176.0128 188 I 4.2977 8.3366 120.6697 61.7463 38.1182 175.3128 189 G 4.3032 7.7048 108.9926 43.1687 0.0000 172.1059 190 D 4.7644 8.6387 118.2905 53.7527 41.4217 176.7327 191 G 3.7131 8.3682 109.4444 44.9623 0.0000 171.5234 192 P 4.0326 0.0000 0.0000 61.4036 32.2398 175.7015 193 V 4.4466 8.1533 120.3468 60.0638 34.0202 175.4212 194 L 4.5723 8.2695 120.1777 52.6835 40.8629 175.7230 195 L 4.0613 8.2768 123.0736 53.9301 42.2464 175.3309 196 P 5.0435 0.0000 0.0000 60.7978 33.7468 174.5778 197 D 4.5993 8.5766 118.7707 53.7269 41.4846 176.1635 198 N 4.6990 8.7173 119.6346 54.7751 39.1022 173.7602 199 H 5.1482 8.8921 118.5584 54.8585 32.9729 171.3943 200 Y 5.2214 8.3706 115.8000 55.0966 41.9695 174.2961 201 L 4.8525 9.2255 120.4379 52.9468 44.7917 175.8840 202 S 5.0928 8.8897 120.5764 57.4442 63.2036 173.0337 203 T 5.0787 8.3662 117.8557 60.4170 71.7155 173.7272 204 Q 4.7375 8.8086 120.7547 53.4830 32.9417 174.4069 205 S 5.2011 8.9744 118.6490 56.7254 67.2459 173.3423 206 A 4.6432 9.0118 125.2518 50.1627 21.5467 175.2290 207 L 4.7273 8.4748 122.7094 54.9331 43.0025 176.4053 208 S 4.8320 9.1143 116.1085 58.3657 66.4446 172.3007 209 K 4.5899 8.3980 119.0836 54.7724 34.5965 174.9128 210 D 4.5478 8.3586 118.8390 52.4749 43.2255 173.0981 211 P 4.3393 0.0000 0.0000 66.7021 31.3052 178.1135 212 N 4.3855 8.2571 114.6798 54.5846 37.7404 176.8920 213 E 4.0580 7.9911 120.2555 55.8247 29.7612 176.5296 214 K 4.2864 8.4748 125.2214 57.2741 33.1031 177.1911 215 R 4.2499 8.0120 118.4624 54.9906 30.9708 175.6914 216 D 4.6591 8.7237 121.7012 55.6343 42.1666 174.9676 217 H 4.8592 8.2338 119.8492 55.6012 31.7519 171.8847 218 M 4.4158 7.4246 115.9208 53.7956 36.0543 173.7194 219 V 4.5981 8.7304 124.0851 60.9525 34.5822 173.8453 220 L 5.1636 8.6537 129.4671 53.1360 45.2571 174.4708 221 L 4.5146 8.9455 128.9017 53.4305 43.9618 174.6652 222 E 5.1967 8.4147 125.2781 54.5368 33.2498 175.2579 223 F 5.5423 9.2539 121.7788 56.0152 42.7613 173.9818 224 V 5.1800 9.5693 124.6269 61.2392 35.1122 174.3965 225 T 4.9629 8.5157 115.9015 59.9294 72.3344 172.5085 226 A 4.2691 8.9848 128.3581 51.2119 19.2144 176.5558 227 A 4.2264 9.0882 123.7186 49.8132 22.7492 177.0038 228 G 4.2454 8.1370 116.4558 46.6207 0.0000 173.0343 229 I 4.0042 7.0695 125.7897 60.7835 37.2722 175.9244 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 6 E 8.30 4.38 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 1.91 0.00 7 L 8.61 3.52 0.00 1.15 1.14 -0.13 0.43 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 8 F 7.87 4.85 0.00 2.98 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 9 T 8.30 4.06 4.26 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 1.30 0.00 0.00 10 G 7.70 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 11 V 8.22 4.62 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 1.00 0.00 0.00 1.15 0.00 0.00 12 V 8.71 4.72 2.58 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 1.29 0.00 0.00 0.98 0.00 0.00 13 P 0.00 4.98 0.00 2.19 2.18 0.00 3.92 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 14 I 8.68 5.82 1.74 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.91 1.01 0.00 0.00 15 L 8.58 5.19 0.00 1.65 1.47 0.94 0.79 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 16 V 9.23 4.99 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.11 0.00 0.00 17 E 9.16 4.92 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 18 L 8.70 5.15 0.00 1.77 1.54 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.01 4.84 0.00 2.56 2.37 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 20 G 7.52 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 21 D 7.80 5.40 0.00 2.55 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 0.00 0.00 0.00 0.00 22 V 8.23 4.87 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 1.01 0.00 0.00 0.92 0.00 0.00 23 N 9.85 4.29 0.00 2.91 2.81 0.00 0.00 6.58 9.19 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 24 G 8.55 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 25 H 8.09 4.60 0.00 3.25 3.26 0.00 5.61 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 26 K 8.54 4.79 0.00 1.64 1.71 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 27 F 8.03 4.81 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 9.20 5.04 0.00 3.84 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 29 V 8.74 5.66 2.29 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 1.43 0.00 0.00 1.26 0.00 0.00 30 S 8.62 5.35 0.00 3.97 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 31 G 9.65 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 5.07 0.00 1.95 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 2.14 2.22 0.00 33 G 7.94 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 34 E 7.96 5.16 0.00 1.85 1.80 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 2.18 2.17 0.00 35 G 8.68 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 36 D 9.24 5.41 0.00 2.98 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 37 A 9.04 4.84 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 38 T 7.94 3.65 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 0.14 0.00 0.00 39 Y 7.37 4.74 0.00 3.04 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 40 G 8.50 4.59 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 0.00 41 K 8.03 5.10 0.00 2.33 1.92 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.18 1.00 7.81 42 L 8.78 5.06 0.00 1.47 1.36 0.90 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.95 4.80 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 1.10 0.00 0.00 44 L 8.49 4.85 0.00 1.25 0.73 0.78 0.26 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 45 K 8.59 4.57 0.00 1.55 1.62 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.69 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.41 7.81 46 F 8.49 5.27 0.00 2.92 3.15 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 0.00 0.00 0.00 47 I 8.94 4.87 1.96 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 1.12 0.97 1.00 0.00 0.00 48 C 9.79 5.08 0.00 3.24 3.18 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 49 T 9.21 4.04 4.30 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 1.27 0.00 0.00 50 T 8.57 4.27 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 1.23 0.00 0.00 51 G 7.32 3.68 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 0.00 0.00 0.00 52 K 8.54 4.33 0.00 1.75 1.61 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 0.95 7.81 53 L 8.63 3.53 0.00 1.15 0.93 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.16 0.00 1.86 2.06 0.00 2.78 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 55 V 6.12 4.23 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 0.40 0.00 0.00 0.42 0.00 0.00 56 P 0.00 4.30 0.00 2.07 2.00 0.00 3.30 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 57 W 9.01 4.18 0.00 3.69 3.40 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 58 P 0.00 4.30 0.00 2.33 2.45 0.00 3.76 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.03 0.00 59 T 7.55 4.17 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 0.76 0.00 0.00 60 L 8.26 4.92 0.00 1.80 1.66 0.45 0.60 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 61 V 8.31 3.49 1.91 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 0.56 0.00 0.00 0.73 0.00 0.00 62 T 8.05 3.98 4.49 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 0.00 0.00 0.00 1.51 0.00 0.00 63 T 7.30 4.17 4.43 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 1.25 0.00 0.00 64 L 7.46 4.17 0.00 1.26 1.06 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 *68 V 7.40 4.23 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 1.02 0.00 0.00 1.01 0.00 0.00 69 Q 8.21 3.80 0.00 1.38 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 70 C 7.97 4.21 0.00 2.92 3.45 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 71 F 8.30 4.34 0.00 3.21 3.15 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 0.00 0.00 0.00 72 S 7.74 4.70 0.00 3.72 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 73 R 8.41 4.44 0.00 2.01 1.82 0.00 3.11 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 74 Y 8.52 4.52 0.00 2.70 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 75 P 0.00 4.30 0.00 2.00 2.02 0.00 3.47 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 76 D 8.90 4.43 0.00 2.71 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 77 H 8.23 4.33 0.00 3.32 3.41 0.00 5.52 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 7.72 4.41 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 79 K 7.59 3.25 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 80 R 7.84 4.10 0.00 1.83 1.98 0.00 2.92 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.00 81 H 8.82 4.76 0.00 3.08 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.37 3.78 0.00 1.87 2.18 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 83 F 8.35 3.96 0.00 3.35 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.10 3.52 0.00 2.99 3.15 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 0.00 0.00 0.00 85 K 8.07 4.30 0.00 1.67 1.86 0.00 1.47 0.00 0.00 1.12 0.00 0.00 2.43 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.58 1.02 7.81 86 S 7.13 3.95 0.00 3.84 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 87 A 7.70 3.96 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 88 M 7.17 4.41 0.00 2.25 2.39 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 3.01 0.00 89 P 0.00 5.09 0.00 2.38 2.29 0.00 3.71 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 1.92 0.00 90 E 7.91 4.05 0.00 2.29 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 2.35 2.28 0.00 91 G 9.40 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 0.00 0.00 0.00 92 Y 7.76 5.12 0.00 3.13 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 V 9.24 4.83 2.18 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 1.03 0.00 0.00 1.03 0.00 0.00 94 Q 9.13 5.23 0.00 2.44 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 95 E 9.39 5.36 0.00 1.98 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 2.28 2.31 0.00 96 R 9.56 5.29 0.00 1.77 1.84 0.00 3.25 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 97 T 9.24 4.87 4.49 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 0.00 0.00 0.00 1.01 0.00 0.00 98 I 8.83 4.58 1.51 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.68 -0.11 0.00 0.00 99 F 9.05 4.74 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 0.00 100 F 8.49 5.15 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 9.38 3.70 0.00 1.76 2.05 0.00 1.97 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.49 7.81 102 D 8.69 4.49 0.00 2.85 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 0.00 103 D 7.62 4.24 0.00 2.63 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.61 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.98 5.36 0.00 2.34 2.63 0.00 0.00 7.36 8.33 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 0.00 106 Y 9.03 5.63 0.00 2.91 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 0.00 107 K 9.63 5.20 0.00 1.65 1.68 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.49 7.81 108 T 9.08 5.46 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 1.26 0.00 0.00 109 R 8.69 5.15 0.00 1.90 1.79 0.00 3.15 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 110 A 9.79 5.19 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 0.00 111 E 9.12 4.83 0.00 1.85 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 2.23 2.41 0.00 112 V 8.59 5.40 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 0.91 0.00 0.00 0.31 0.00 0.00 113 K 8.07 4.72 0.00 1.74 1.91 0.00 1.48 0.00 0.00 1.96 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.43 7.81 114 F 8.42 4.20 0.00 3.14 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 0.00 115 E 8.38 4.61 0.00 2.00 1.92 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 2.27 2.23 0.00 116 G 8.72 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 0.00 117 D 9.30 4.72 0.00 2.73 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 0.00 118 T 7.79 4.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 119 L 8.86 3.84 0.00 1.55 1.81 0.92 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.57 4.85 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 1.04 0.00 0.00 0.99 0.00 0.00 121 N 8.90 5.29 0.00 2.95 2.71 0.00 0.00 6.58 7.46 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 0.00 122 R 9.38 5.11 0.00 1.71 1.81 0.00 3.13 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 123 I 9.38 5.01 1.88 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 1.14 1.20 1.03 0.00 0.00 124 E 8.64 4.94 0.00 1.58 1.83 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 2.12 2.09 0.00 125 L 8.90 4.95 0.00 1.56 1.37 0.64 -0.58 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 0.00 126 K 9.40 4.99 0.00 1.78 1.74 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.36 7.81 127 G 9.08 5.53 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 0.00 128 I 8.60 5.20 1.91 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 1.40 1.16 0.98 0.00 0.00 129 D 9.02 4.73 0.00 2.45 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 0.00 130 F 7.87 4.38 0.00 3.22 3.03 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 0.00 131 K 9.64 4.18 0.00 1.78 1.88 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.35 7.81 132 E 8.68 4.70 0.00 2.10 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 2.28 2.25 0.00 133 D 7.89 4.68 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 0.00 135 N 8.61 4.31 0.00 2.92 2.88 0.00 0.00 6.83 7.39 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 0.00 136 I 7.23 3.40 2.07 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.34 0.00 0.00 137 L 7.82 4.17 0.00 1.93 1.73 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.23 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 0.00 0.00 0.00 139 H 7.25 3.86 0.00 3.26 3.45 0.00 5.63 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 0.00 140 K 7.92 4.74 0.00 1.72 1.82 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.50 7.81 141 L 7.70 4.87 0.00 1.53 1.65 0.91 0.82 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 0.00 142 E 9.12 4.24 0.00 1.98 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 2.39 2.31 0.00 143 Y 8.66 4.25 0.00 2.96 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 0.00 144 N 7.78 4.10 0.00 2.86 2.84 0.00 0.00 6.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 7.82 4.62 0.00 2.82 3.07 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 0.00 146 N 7.88 5.21 0.00 2.56 2.60 0.00 0.00 6.79 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 0.00 147 S 8.07 4.93 0.00 3.69 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 0.00 148 H 8.40 4.94 0.00 3.09 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.72 5.08 0.00 2.43 1.78 0.00 0.00 6.69 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 0.00 150 V 8.48 3.82 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 -0.05 0.00 0.00 0.07 0.00 0.00 151 Y 8.48 5.02 0.00 3.21 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 0.00 152 I 8.96 5.17 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.52 0.93 0.00 0.00 153 M 9.20 4.82 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 154 A 8.78 4.13 1.31 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 0.00 0.00 155 D 8.05 4.33 0.00 2.79 2.54 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 0.00 156 K 8.74 4.11 0.00 1.77 1.85 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.37 7.81 157 Q 8.36 4.05 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 158 K 8.73 4.11 0.00 1.69 1.84 0.00 1.96 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.25 7.81 159 N 7.76 4.31 0.00 2.81 2.88 0.00 0.00 6.92 7.86 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 0.00 160 G 7.40 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 8.50 4.95 1.59 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 0.57 0.37 0.04 0.00 0.00 162 K 9.25 5.13 0.00 1.82 1.73 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.34 7.81 163 A 9.33 5.61 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 9.16 5.31 0.00 2.65 2.72 0.00 0.00 7.13 7.02 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 0.00 165 F 8.28 5.17 0.00 3.29 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 0.00 166 K 8.79 4.74 0.00 1.68 1.68 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.68 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.25 1.35 7.81 167 I 8.24 4.39 1.77 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.75 0.49 0.00 0.00 168 R 8.30 5.10 0.00 1.59 1.80 0.00 3.19 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 169 H 9.42 4.83 0.00 3.21 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.78 5.10 0.00 2.72 2.75 0.00 0.00 7.05 7.23 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 0.00 171 I 8.59 4.93 1.89 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 1.63 1.29 1.09 0.00 0.00 172 E 9.67 4.57 0.00 2.13 2.29 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 2.45 2.27 0.00 173 D 7.98 4.67 0.00 2.84 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 0.00 174 G 7.97 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 S 8.16 3.85 0.00 3.87 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 0.00 176 V 8.09 4.43 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 0.75 0.00 0.00 0.99 0.00 0.00 177 Q 9.33 4.14 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 178 L 8.69 4.84 0.00 1.67 1.57 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 179 A 9.58 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 9.29 4.55 0.00 2.78 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 0.00 181 H 8.14 4.98 0.00 2.03 2.51 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.86 4.57 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 0.00 183 Q 9.60 5.13 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 184 Q 9.14 5.10 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 185 N 9.10 5.73 0.00 2.44 2.54 0.00 0.00 6.13 7.07 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 0.00 186 T 8.90 4.95 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 1.20 0.00 0.00 187 P 0.00 4.87 0.00 2.22 2.37 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 188 I 8.34 4.30 2.18 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 1.24 0.78 0.97 0.00 0.00 189 G 7.70 4.30 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 0.00 190 D 8.64 4.76 0.00 2.67 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 0.00 191 G 8.37 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 0.00 192 P 0.00 4.03 0.00 2.21 2.08 0.00 3.73 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 2.00 2.02 0.00 193 V 8.15 4.45 2.24 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 1.16 0.00 0.00 1.02 0.00 0.00 194 L 8.27 4.57 0.00 1.69 1.70 0.96 1.01 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 0.00 195 L 8.28 4.06 0.00 1.62 1.61 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 5.04 0.00 2.37 2.31 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 197 D 8.58 4.60 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 8.72 4.70 0.00 2.65 2.90 0.00 0.00 6.75 8.16 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 0.00 199 H 8.89 5.15 0.00 3.13 3.33 0.00 5.20 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 8.37 5.22 0.00 2.37 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 9.23 4.85 0.00 1.22 1.38 0.68 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 202 S 8.89 5.09 0.00 3.99 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 0.00 203 T 8.37 5.08 4.30 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 1.25 0.00 0.00 204 Q 8.81 4.74 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 205 S 8.97 5.20 0.00 3.88 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.01 4.64 1.21 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 0.00 0.00 207 L 8.47 4.73 0.00 0.55 0.90 0.58 0.46 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 0.00 208 S 9.11 4.83 0.00 3.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 K 8.40 4.59 0.00 1.63 1.73 0.00 1.20 0.00 0.00 0.87 0.00 0.00 2.30 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.12 1.24 7.81 210 D 8.36 4.55 0.00 2.51 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 P 0.00 4.34 0.00 2.19 2.17 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 212 N 8.26 4.39 0.00 2.77 2.78 0.00 0.00 6.60 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 0.00 213 E 7.99 4.06 0.00 1.85 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 1.97 2.37 0.00 214 K 8.47 4.29 0.00 1.77 1.83 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.37 7.81 215 R 8.01 4.25 0.00 1.98 1.90 0.00 3.22 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 216 D 8.72 4.66 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 H 8.23 4.86 0.00 3.02 3.15 0.00 5.15 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 M 7.42 4.42 0.00 1.19 1.14 0.00 0.00 0.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 219 V 8.73 4.60 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 0.83 0.00 0.00 0.95 0.00 0.00 220 L 8.65 5.16 0.00 1.75 1.56 0.82 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.95 4.51 0.00 1.64 1.37 0.72 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 222 E 8.41 5.20 0.00 1.86 1.75 0.00 0.00 0.00 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 2.18 0.00 223 F 9.25 5.54 0.00 2.97 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 0.00 224 V 9.57 5.18 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 0.98 0.00 0.00 0.98 0.00 0.00 225 T 8.52 4.96 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 1.17 0.00 0.00 226 A 8.98 4.27 -0.06 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 0.00 227 A 9.09 4.23 0.81 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 0.00 228 G 8.14 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 0.00 0.00 0.00 0.00 229 I 7.07 4.00 1.80 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.57 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.