NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2785 8.4449 121.4689 56.4431 30.3287 176.4748 4 I 3.9108 7.4312 125.0514 58.9976 35.4589 174.2433 5 R 4.3324 7.5659 119.5657 54.5460 32.5472 173.7652 6 V 4.2529 8.3260 126.1322 63.0491 32.4383 175.0714 7 K 4.9715 8.9736 126.2538 55.0781 36.8339 174.4720 8 A 5.1561 8.7035 120.5166 51.0285 23.0579 175.5508 9 I 4.7919 9.1114 122.3008 59.5121 40.3030 174.6002 10 I 4.8272 8.6740 128.4139 59.4804 39.6709 174.9671 11 L 4.5911 9.1007 128.3941 53.4509 42.2098 176.6371 12 A 4.9136 8.4879 127.3423 51.7417 19.5694 176.5347 13 A 4.3431 8.4345 123.0530 54.9408 20.5692 179.2575 14 G 4.1895 8.2328 103.4240 45.5427 0.0000 173.6682 15 L 3.4231 8.5764 119.3872 55.2914 41.9258 177.8753 16 G 4.0826 8.2593 106.1488 46.2650 0.0000 175.5787 17 T 3.8298 8.2044 118.1928 66.4080 68.5460 176.7229 18 R 4.0574 7.9743 115.5472 58.3620 29.7013 176.9491 19 L 4.4537 8.1375 118.8154 54.1853 41.9659 176.4889 20 R 4.1570 7.6415 116.2678 56.3267 29.5370 174.8203 21 P 4.5867 0.0000 0.0000 63.1918 31.9235 177.7957 22 L 3.8712 7.7760 120.4598 57.7001 41.5494 178.0419 23 T 5.4571 7.5933 105.2937 60.6623 69.1030 174.9812 24 E 4.1783 8.1202 124.9220 59.3539 29.6265 177.3002 25 N 5.0643 8.0966 111.0389 52.7067 40.5832 173.8762 26 T 4.5776 7.6147 115.5265 60.6953 72.3249 171.7242 27 P 4.8761 0.0000 0.0000 62.2272 32.3825 177.4466 28 K 3.9139 9.0251 119.5217 60.1991 32.7346 178.6243 29 A 4.2464 8.3408 120.6033 53.8059 19.2569 178.7101 30 L 4.6537 7.8130 113.6087 54.3670 42.7161 177.2879 31 V 3.7306 7.6405 120.7568 63.1837 32.6194 174.7564 32 Q 4.9867 8.6697 126.4306 54.8076 30.4025 175.4679 33 V 4.4849 8.6431 116.9483 60.6527 34.3205 175.4448 34 N 4.2476 10.0416 123.3316 55.0159 37.6654 173.7312 35 Q 3.6313 8.4608 109.5285 56.1460 26.8151 173.7277 36 K 4.5000 7.9729 117.8104 53.8649 35.4654 173.6544 37 P 4.8189 0.0000 0.0000 63.1165 32.0655 176.6922 38 L 4.2673 9.0815 123.7785 58.5154 41.5969 180.0222 39 I 3.9070 8.1014 117.9405 64.0432 37.7968 177.7422 40 E 3.7393 8.2273 119.7813 59.3525 29.3328 178.7540 41 Y 3.7577 7.6448 116.9517 60.9348 37.8717 178.7829 42 Q 4.0235 7.8963 118.3476 59.0879 28.9680 178.4660 43 I 3.4401 7.7243 121.0818 64.4735 37.0304 178.4134 44 E 3.8887 7.9868 119.2594 59.2249 29.3762 179.3862 45 F 4.6691 7.9956 117.6018 60.6125 39.0255 177.6590 46 L 3.8073 7.9166 118.4416 57.8670 41.4490 179.9045 47 K 4.4309 8.0236 119.5835 58.8957 31.6960 179.2976 48 E 4.0708 8.2773 118.1809 58.4614 29.3824 178.3777 49 K 4.4542 7.3862 115.0222 55.6504 32.5461 177.2891 50 G 3.9007 8.0360 107.7169 45.6303 0.0000 174.9688 51 I 4.1366 7.3533 121.6774 60.1327 35.6065 175.1873 52 N 4.5705 8.1988 119.7799 53.1220 39.5984 174.3311 53 D 4.8753 7.7460 119.6475 52.8157 41.5244 173.6058 54 I 4.9746 7.9884 124.9667 59.0767 40.4296 174.1956 55 I 4.8714 8.7419 128.0392 59.4734 40.0158 174.5038 56 I 4.7718 8.7939 128.0135 59.4529 39.9775 174.7806 57 I 4.4743 8.6080 128.9946 60.8359 38.1522 175.5914 58 V 3.8953 8.5778 120.6956 60.3354 34.7368 174.5527 59 G 4.3464 8.3651 111.3772 46.6048 0.0000 172.8307 60 Y 3.6092 7.2214 121.1347 57.7694 39.8132 176.3744 61 L 3.7340 8.5633 126.8192 53.5936 39.6757 176.6872 62 K 4.1097 8.0635 119.6374 60.2333 31.8851 177.2555 63 E 4.1378 8.1374 117.8168 58.9808 29.2016 178.4809 64 Q 4.1722 7.9999 117.8518 57.7278 29.1634 177.2681 65 F 4.4792 8.5378 118.6662 58.6828 39.2271 177.1877 66 D 4.4817 7.8300 118.5895 57.8413 40.8447 178.4939 67 Y 4.2503 8.4249 117.0798 60.0511 37.5982 178.3624 68 L 3.6484 7.4442 120.5665 56.8759 41.5495 179.4544 69 K 4.0671 7.9171 119.0548 59.5749 31.8418 178.9332 70 E 4.0946 7.9485 116.2530 58.3104 29.7037 178.4746 71 K 3.8914 7.4848 119.0115 58.5597 32.3212 176.8290 72 Y 4.6744 7.8765 113.0656 56.6030 39.8812 176.2557 73 G 3.8675 8.3370 107.6223 45.8469 0.0000 174.1265 74 V 4.1224 7.5801 111.7785 60.9107 32.9793 175.5062 75 R 4.6722 8.9190 121.4399 54.5612 32.6108 175.2355 76 L 5.0733 8.4469 122.6403 52.9428 44.1663 175.9168 77 V 4.3374 8.6341 123.4516 60.8639 34.1739 174.1283 78 F 5.0876 8.9958 131.1287 58.1499 40.2630 174.1380 79 N 4.7812 9.5274 126.3560 51.7570 39.5318 174.6273 80 D 4.2560 8.1075 125.1682 54.5055 40.0956 177.2346 81 K 4.2519 8.4706 120.1179 56.1524 32.0943 177.5742 82 Y 4.2275 7.6849 119.7886 59.6260 37.6304 177.3625 83 A 4.3270 6.7752 120.7008 52.5893 20.2112 177.5112 84 D 4.4631 7.6932 114.6589 56.3211 41.6142 176.4551 85 Y 4.9595 7.5189 114.8542 56.1544 39.8888 174.9284 86 N 4.7538 8.9275 121.4919 52.8385 39.9033 175.3736 87 N 4.9199 8.8291 114.7044 53.8427 37.5399 176.5741 88 F 4.4706 8.5741 122.8774 62.0577 39.4159 176.3648 89 Y 4.2057 8.5669 119.1311 60.5778 38.3757 178.0354 90 S 4.0290 7.7440 115.8506 61.5153 63.2588 176.0927 91 L 3.8305 7.7381 122.4605 57.7613 41.8380 177.9135 92 Y 3.4798 7.5510 119.8111 60.5876 38.3812 178.2883 93 L 3.7953 7.2122 118.1574 56.6952 41.8086 178.1954 94 V 4.3004 7.1114 111.8193 60.3658 33.1110 177.6093 95 K 3.6485 7.5341 122.7869 60.1755 32.0558 178.2168 96 E 4.0877 7.7960 115.7042 57.3861 29.4693 176.8016 97 E 4.3850 7.9915 118.0611 55.8878 30.5242 176.7181 98 L 3.8010 7.7138 121.9518 57.5923 42.2921 177.1153 99 A 4.0201 7.8715 120.6765 53.7452 18.6611 176.6072 100 N 3.9641 8.7802 121.1484 54.5558 37.0537 173.7283 101 S 5.2947 7.1914 110.3456 56.7117 66.3353 172.4615 102 Y 5.0224 8.9989 122.9596 57.2804 39.9957 174.5881 103 V 4.8475 9.1841 122.4843 61.2635 34.5014 174.3205 104 I 5.2979 8.9963 128.4915 59.6264 40.7016 174.4811 105 D 5.0593 9.3380 126.9236 54.1516 41.6866 177.1169 106 A 4.5898 8.6654 124.5907 52.7558 19.3684 177.2908 107 D 5.0822 8.0591 115.3223 53.4954 41.0447 175.6803 108 N 5.5071 8.3321 115.1385 52.6850 43.0430 172.6408 109 Y 4.7318 9.1682 123.8288 55.9595 40.9358 174.3075 110 L 4.9294 7.6448 127.0350 53.6581 41.9660 176.7296 111 F 4.3433 9.3149 124.3471 59.2170 39.5400 176.4260 112 K 4.5862 7.9539 116.3010 54.3049 35.7069 175.0904 113 N 3.5995 7.7825 119.9314 52.0499 39.9818 174.4171 *115 F 4.3169 8.2555 121.3704 57.2687 40.1447 174.7574 116 R 4.7031 8.8021 120.2251 54.9239 32.3025 174.3990 117 N 4.8825 8.7436 116.2468 52.7909 37.5346 174.7760 118 D 4.8782 7.7410 115.3611 53.1922 39.9616 175.7321 119 L 3.9520 7.6329 119.8826 55.5149 41.8696 176.8824 120 T 4.6067 8.2856 111.3967 61.1813 69.5166 173.6078 121 R 5.1236 7.3871 116.7130 54.7675 32.6897 174.9489 122 S 4.2317 9.0222 116.7212 59.5625 64.0673 173.5204 123 T 4.9541 8.4685 120.2616 61.9809 73.2181 172.3108 124 Y 4.9161 8.7382 123.0930 56.3612 40.3875 174.9616 125 F 4.7960 9.3257 124.5529 56.6618 39.7410 175.1766 126 S 4.8981 8.9475 119.5280 56.4938 65.0170 173.3557 127 V 4.7471 8.5621 119.7998 59.9367 34.3210 174.2357 128 Y 4.9582 8.5878 124.2687 57.2803 39.7600 174.7669 129 R 4.6646 8.3807 123.9493 54.5321 34.9975 173.7762 130 E 4.9247 8.3457 119.4869 54.0278 33.7227 174.6975 131 D 4.3867 8.6610 116.8856 55.5906 38.5382 174.3988 132 C 4.4387 8.4451 114.9300 60.2624 28.6848 174.2882 133 T 4.4441 7.9727 117.6250 63.4883 71.2500 173.9719 134 N 4.8163 9.0340 122.4441 54.1680 36.2108 174.2505 135 E 4.2475 7.4997 117.3282 55.3444 30.9795 175.5111 136 W 5.0989 7.9140 119.0372 55.1262 32.3241 175.0916 137 F 5.4255 9.7959 122.5238 55.7742 42.1822 174.2182 138 L 4.8405 8.8984 121.8173 53.5753 43.0838 176.2373 139 V 4.4479 8.7970 125.0073 61.5835 32.9719 174.1684 140 Y 5.1171 8.1841 124.6947 56.2920 40.9463 174.7687 141 G 4.2733 8.3858 108.9905 44.9200 0.0000 174.6146 142 D 4.1247 8.7060 119.5590 56.8207 41.0205 176.6976 143 D 4.6727 7.9837 116.0875 52.7742 39.9922 176.0264 144 Y 3.6555 7.6139 116.4466 58.8327 36.2034 168.9344 145 K 4.0546 8.2658 121.5431 55.2645 32.8317 176.5529 146 V 3.9526 8.5015 127.4623 63.5980 31.1334 175.5408 147 Q 4.3942 9.3943 127.9425 57.9339 29.8927 175.1917 148 D 4.5673 7.5904 115.9166 53.6286 44.9383 174.2958 149 I 5.1207 8.3038 122.0219 59.4537 40.2166 174.9113 150 I 4.5656 8.8552 119.6405 59.3151 40.9118 176.2925 151 V 3.9417 8.2403 113.2186 61.5679 33.7715 176.6985 152 D 4.6274 7.8458 120.5297 51.6732 39.2387 174.5216 153 S 4.3080 7.1869 113.1039 57.4993 65.3665 175.0940 154 K 4.5447 8.0355 122.0766 56.1768 33.1323 175.7678 155 A 4.9135 7.1808 120.4434 50.5501 22.3901 176.9657 156 G 4.1055 7.3836 107.6529 44.2785 0.0000 171.7678 157 R 4.9141 8.5894 120.3125 55.8269 30.8114 176.6083 158 I 4.6219 8.0008 117.7939 58.9092 40.1571 175.5104 159 L 4.0772 8.1282 123.5178 55.0355 41.3904 177.6000 160 S 4.5102 9.0532 119.4567 58.2276 63.7204 174.9736 161 G 4.2590 9.2477 109.3145 43.8803 0.0000 172.9905 162 V 5.2313 7.9610 119.6911 61.3027 34.7667 174.1002 163 S 5.4528 9.3464 120.9232 57.3058 67.0562 172.6905 164 F 4.9247 8.9427 122.8100 56.0404 42.9479 173.5221 165 W 4.8704 7.1653 124.0847 54.5556 32.3770 175.4160 166 D 4.9131 8.6841 124.3563 52.2389 40.5186 177.4117 167 A 3.9845 8.6186 120.6873 55.0318 18.1194 177.9765 168 P 4.2094 0.0000 0.0000 66.0907 31.3677 179.0682 169 T 3.9704 8.9238 114.6391 66.6202 68.3570 176.7028 170 A 3.9066 8.3364 123.0236 54.9940 18.2757 179.2722 171 E 3.7625 8.2610 117.8382 59.3582 29.7524 179.2819 172 K 3.5706 7.6006 118.3670 59.4217 32.0209 179.4489 173 I 3.7298 7.6878 120.1068 64.2890 36.9657 178.6928 174 V 3.5312 7.9706 119.7673 65.8367 31.3349 178.2536 175 S 4.1859 7.6537 113.7652 61.5068 62.7588 176.5899 176 F 4.6572 7.6546 121.3449 60.2925 38.5408 177.8253 177 I 4.1828 8.2911 119.9932 64.5702 37.0878 177.9883 178 D 4.6249 8.7526 120.0694 57.4992 40.5178 178.8274 179 K 3.9805 8.1033 118.1581 59.6175 32.3749 178.3018 180 A 4.1762 8.4199 120.9889 55.4230 18.1208 179.0065 181 Y 3.3924 8.4192 117.1453 59.8312 38.7767 177.6913 182 V 4.1760 7.3897 110.2041 60.8661 31.7691 176.2357 183 S 4.5954 7.7088 113.8613 57.6023 63.4035 174.7178 184 G 3.9209 8.3073 107.5668 46.5085 0.0000 174.4697 185 E 4.6524 7.6414 110.0325 53.9678 29.3729 174.7710 186 F 4.4134 7.0018 112.3774 57.8755 42.4392 177.5855 187 V 2.6996 6.1864 114.3942 63.8301 31.1783 176.9609 188 D 4.5833 7.4464 115.5289 53.8987 41.4993 176.5798 189 L 4.2053 7.6648 120.7628 54.6162 42.5912 175.8812 190 Y 5.0236 8.5909 119.3154 56.1821 39.4608 177.2018 191 W 4.5950 9.5822 120.1637 59.7270 28.5427 177.5335 192 D 3.5650 7.4146 118.6784 56.8653 40.6758 177.3715 193 N 4.8423 8.1377 120.0267 53.0390 38.5033 176.9396 *195 V 4.0643 7.8814 119.0800 62.9661 33.7000 176.8068 196 K 3.8568 8.3297 119.3635 59.7499 31.8782 177.3292 197 D 4.5712 8.1241 115.3090 55.5307 41.0082 176.6549 198 N 4.8115 8.0456 115.2781 52.7909 40.8923 175.8219 199 I 3.7626 8.1398 121.8803 64.3559 37.8788 177.8956 200 K 4.1371 8.0606 117.5615 58.4771 31.9293 177.0863 201 E 4.6024 8.3728 117.0252 55.9723 30.3975 175.6702 202 L 4.8585 7.8229 118.6121 52.8752 44.4423 175.9919 203 D 4.7795 8.6840 121.4104 52.7926 41.5735 175.8702 204 V 4.7347 7.8331 123.5293 61.1713 35.3773 173.7217 205 Y 5.1242 9.0764 123.4419 56.1976 42.0443 174.3313 206 V 4.5778 8.6179 121.2402 61.1978 33.6420 174.7300 207 E 4.2037 8.7250 129.5063 54.0686 31.0463 174.5662 208 E 4.5924 8.4828 127.4638 56.5614 29.8824 176.7753 209 L 4.7201 8.9023 125.5755 53.0215 43.7905 176.8716 210 E 4.1544 8.8572 121.3252 56.1284 30.2784 178.4331 211 G 4.0182 8.7314 112.3815 48.7010 0.0000 173.9493 212 N 4.8741 7.9264 114.5733 52.5620 37.8505 176.2104 213 S 4.3964 8.5736 118.3943 61.4751 63.1232 174.2194 214 I 5.0235 7.7612 119.2626 59.4990 39.9108 174.5621 215 Y 4.7152 9.4500 128.3912 55.7948 40.8735 174.3973 216 E 5.0851 8.6380 126.8660 55.9470 30.5778 177.1505 217 I 4.5638 8.3955 125.7187 60.0783 37.1597 175.1202 218 D 4.8101 9.7118 125.9184 54.3187 42.0175 177.1037 219 S 4.8558 7.5734 113.5682 56.1350 66.9292 175.4667 220 V 3.8295 8.3640 122.0160 64.7331 31.0993 178.4930 221 Q 4.0764 8.1191 118.8446 59.0431 28.6798 177.9690 222 D 4.5352 8.2052 120.0014 57.5045 40.8928 178.2123 223 Y 4.0864 8.1151 119.9968 60.8723 38.9727 178.3957 224 R 3.7530 8.5678 119.3501 59.1282 30.1692 179.2463 225 K 3.9793 8.2230 118.2857 59.3496 32.0865 179.1550 226 L 3.5444 7.8666 120.5522 57.9425 41.8544 178.7675 227 E 3.6349 7.7066 118.4812 59.2988 29.1123 178.9716 228 E 3.8622 7.6455 117.7942 59.2069 29.7431 178.7031 229 I 3.8401 7.3472 118.7320 64.4871 37.3592 178.3563 230 L 3.9590 8.2145 118.0956 55.5936 41.3887 177.4449 231 K 4.1299 7.6043 122.7566 56.8209 32.8537 174.2875 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 3 E 8.44 4.28 0.00 1.92 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 2.17 2.32 0.00 4 I 7.43 3.91 1.89 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 1.32 0.77 0.94 0.00 0.00 5 R 7.57 4.33 0.00 1.71 1.80 0.00 3.22 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 6 V 8.33 4.25 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 1.11 0.00 0.00 1.04 0.00 0.00 7 K 8.97 4.97 0.00 1.72 1.95 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.60 7.81 8 A 8.70 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 9.11 4.79 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.75 0.00 0.00 10 I 8.67 4.83 1.84 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 1.18 0.75 0.99 0.00 0.00 11 L 9.10 4.59 0.00 1.65 1.70 1.04 0.36 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 12 A 8.49 4.91 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 13 A 8.43 4.34 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 14 G 8.23 4.19 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 0.00 15 L 8.58 3.42 0.00 1.56 1.43 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.26 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 17 T 8.20 3.83 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 18 R 7.97 4.06 0.00 1.94 2.10 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 19 L 8.14 4.45 0.00 1.86 1.72 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.64 4.16 0.00 1.92 2.20 0.00 3.12 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 21 P 0.00 4.59 0.00 2.24 2.32 0.00 3.70 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 2.04 1.98 0.00 22 L 7.78 3.87 0.00 1.69 1.59 0.48 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.59 5.46 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 1.33 0.00 0.00 24 E 8.12 4.18 0.00 1.97 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 2.36 2.34 0.00 25 N 8.10 5.06 0.00 2.66 2.72 0.00 0.00 6.65 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 26 T 7.61 4.58 4.42 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 1.15 0.00 0.00 27 P 0.00 4.88 0.00 2.50 2.54 0.00 3.68 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 1.81 1.85 0.00 28 K 9.03 3.91 0.00 2.05 2.22 0.00 1.60 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.64 1.58 7.81 29 A 8.34 4.25 1.63 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 0.00 0.00 30 L 7.81 4.65 0.00 1.44 1.53 0.25 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.64 3.73 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 0.91 0.00 0.00 0.88 0.00 0.00 32 Q 8.67 4.99 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.45 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 33 V 8.64 4.48 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 0.99 0.00 0.00 0.84 0.00 0.00 34 N 10.04 4.25 0.00 2.68 2.98 0.00 0.00 7.25 6.64 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 35 Q 8.46 3.63 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.45 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 36 K 7.97 4.50 0.00 1.65 1.50 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.71 1.30 7.81 37 P 0.00 4.82 0.00 2.28 2.01 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 38 L 9.08 4.27 0.00 1.98 1.89 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.10 3.91 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.99 0.00 0.00 40 E 8.23 3.74 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 41 Y 7.64 3.76 0.00 2.93 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 42 Q 7.90 4.02 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 43 I 7.72 3.44 1.14 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 -0.01 0.00 0.00 44 E 7.99 3.89 0.00 1.93 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 2.25 0.00 45 F 8.00 4.67 0.00 3.41 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.92 3.81 0.00 1.66 1.61 0.54 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.02 4.43 0.00 1.79 1.86 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.50 7.81 48 E 8.28 4.07 0.00 2.34 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 2.40 2.41 0.00 49 K 7.39 4.45 0.00 1.90 1.81 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.70 7.81 50 G 8.04 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 51 I 7.35 4.14 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.94 0.00 0.00 52 N 8.20 4.57 0.00 2.73 2.82 0.00 0.00 6.57 8.08 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 53 D 7.75 4.88 0.00 2.71 2.56 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 54 I 7.99 4.97 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.80 0.00 0.00 55 I 8.74 4.87 1.79 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 1.17 0.76 0.83 0.00 0.00 56 I 8.79 4.77 1.77 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 1.18 0.77 0.81 0.00 0.00 57 I 8.61 4.47 1.81 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 1.26 0.76 0.87 0.00 0.00 58 V 8.58 3.90 1.60 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 -0.10 0.00 0.00 0.91 0.00 0.00 59 G 8.37 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.22 3.61 0.00 2.58 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 61 L 8.56 3.73 0.00 1.52 1.44 0.55 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.06 4.11 0.00 1.85 2.10 0.00 0.91 0.00 0.00 0.69 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.30 7.81 63 E 8.14 4.14 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 64 Q 8.00 4.17 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 65 F 8.54 4.48 0.00 3.16 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 66 D 7.83 4.48 0.00 2.89 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 67 Y 8.42 4.25 0.00 3.23 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 68 L 7.44 3.65 0.00 1.68 1.70 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.92 4.07 0.00 1.86 1.83 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.58 7.81 70 E 7.95 4.09 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 71 K 7.48 3.89 0.00 1.65 1.33 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.97 7.81 72 Y 7.88 4.67 0.00 2.87 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 73 G 8.34 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.58 4.12 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 0.70 0.00 0.00 0.97 0.00 0.00 75 R 8.92 4.67 0.00 1.66 1.77 0.00 3.05 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 76 L 8.45 5.07 0.00 1.48 1.51 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.63 4.34 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 0.97 0.00 0.00 0.87 0.00 0.00 78 F 9.00 5.09 0.00 2.96 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 79 N 9.53 4.78 0.00 2.80 2.87 0.00 0.00 6.56 8.46 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 80 D 8.11 4.26 0.00 2.67 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 81 K 8.47 4.25 0.00 1.43 0.74 0.00 1.38 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 0.33 7.81 82 Y 7.68 4.23 0.00 3.27 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 83 A 6.78 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.69 4.46 0.00 2.08 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 85 Y 7.52 4.96 0.00 3.02 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 86 N 8.93 4.75 0.00 2.72 3.04 0.00 0.00 7.31 6.27 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 87 N 8.83 4.92 0.00 3.22 3.28 0.00 0.00 5.56 8.12 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 88 F 8.57 4.47 0.00 3.32 3.37 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 89 Y 8.57 4.21 0.00 3.62 3.34 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 90 S 7.74 4.03 0.00 4.11 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 91 L 7.74 3.83 0.00 1.50 1.62 0.46 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.55 3.48 0.00 2.46 2.56 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 93 L 7.21 3.80 0.00 1.54 1.49 0.67 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.11 4.30 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 0.59 0.00 0.00 0.76 0.00 0.00 95 K 7.53 3.65 0.00 1.67 1.71 0.00 0.97 0.00 0.00 0.65 0.00 0.00 2.41 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.98 1.13 7.81 96 E 7.80 4.09 0.00 1.85 1.93 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 2.11 2.14 0.00 97 E 7.99 4.38 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 98 L 7.71 3.80 0.00 1.64 1.54 0.58 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.87 4.02 1.20 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 0.00 100 N 8.78 3.96 0.00 3.04 3.02 0.00 0.00 5.97 7.10 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 0.00 101 S 7.19 5.29 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 0.00 102 Y 9.00 5.02 0.00 2.97 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 0.00 103 V 9.18 4.85 2.22 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 0.55 0.00 0.00 0.59 0.00 0.00 104 I 9.00 5.30 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 1.06 0.00 0.00 105 D 9.34 5.06 0.00 2.72 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 0.00 106 A 8.67 4.59 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.06 5.08 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 0.00 108 N 8.33 5.51 0.00 2.73 2.83 0.00 0.00 6.51 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 9.17 4.73 0.00 2.83 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 0.00 110 L 7.64 4.93 0.00 1.68 1.81 1.13 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 111 F 9.31 4.34 0.00 3.35 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 0.00 112 K 7.95 4.59 0.00 1.65 1.56 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 113 N 7.78 3.60 0.00 1.44 2.12 0.00 0.00 7.03 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 *115 F 8.26 4.32 0.00 2.98 2.47 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 0.00 116 R 8.80 4.70 0.00 2.05 1.83 0.00 3.06 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 117 N 8.74 4.88 0.00 2.86 2.96 0.00 0.00 5.86 8.06 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 0.00 118 D 7.74 4.88 0.00 2.72 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 0.00 119 L 7.63 3.95 0.00 0.81 0.71 0.89 0.59 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 0.00 120 T 8.29 4.61 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 121 R 7.39 5.12 0.00 1.81 1.79 0.00 2.21 0.00 0.00 2.25 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 122 S 9.02 4.23 0.00 4.00 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 0.00 123 T 8.47 4.95 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 0.44 0.00 0.00 124 Y 8.74 4.92 0.00 2.84 2.82 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 0.00 125 F 9.33 4.80 0.00 3.16 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 0.00 126 S 8.95 4.90 0.00 3.96 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 0.00 127 V 8.56 4.75 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 0.83 0.00 0.00 1.02 0.00 0.00 128 Y 8.59 4.96 0.00 3.04 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 0.00 129 R 8.38 4.66 0.00 1.59 1.64 0.00 3.22 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 130 E 8.35 4.92 0.00 1.81 1.84 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 2.19 2.33 0.00 131 D 8.66 4.39 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 0.00 132 C 8.45 4.44 0.00 3.18 3.04 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 0.00 133 T 7.97 4.44 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 1.24 0.00 0.00 134 N 9.03 4.82 0.00 2.88 2.93 0.00 0.00 7.17 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 0.00 135 E 7.50 4.25 0.00 1.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 136 W 7.91 5.10 0.00 3.00 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 0.00 137 F 9.80 5.43 0.00 2.87 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 0.00 138 L 8.90 4.84 0.00 1.77 1.79 0.90 0.64 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 0.00 139 V 8.80 4.45 2.34 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 0.97 0.00 0.00 0.95 0.00 0.00 140 Y 8.18 5.12 0.00 3.04 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 0.00 141 G 8.39 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 0.00 142 D 8.71 4.12 0.00 2.63 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 0.00 143 D 7.98 4.67 0.00 2.94 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 0.00 144 Y 7.61 3.66 0.00 3.48 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 0.00 145 K 8.27 4.05 0.00 1.76 1.72 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 0.51 7.81 146 V 8.50 3.95 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 0.96 0.00 0.00 1.06 0.00 0.00 147 Q 9.39 4.39 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.49 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 148 D 7.59 4.57 0.00 2.67 2.45 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 0.00 149 I 8.30 5.12 1.81 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 1.37 0.83 0.88 0.00 0.00 150 I 8.86 4.57 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.08 0.87 0.00 0.00 151 V 8.24 3.94 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 0.19 0.00 0.00 0.91 0.00 0.00 152 D 7.85 4.63 0.00 2.58 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 0.00 153 S 7.19 4.31 0.00 3.22 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.04 4.54 0.00 1.80 1.79 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.37 7.81 155 A 7.18 4.91 1.15 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 0.00 0.00 156 G 7.38 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.59 4.91 0.00 2.11 2.15 0.00 3.51 0.00 0.00 3.64 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 158 I 8.00 4.62 1.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.54 0.48 0.00 0.00 159 L 8.13 4.08 0.00 1.40 1.58 0.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 160 S 9.05 4.51 0.00 4.13 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 0.00 161 G 9.25 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 0.00 0.00 0.00 0.00 162 V 7.96 5.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.02 0.00 0.00 163 S 9.35 5.45 0.00 3.74 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 0.00 164 F 8.94 4.92 0.00 2.36 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 W 7.17 4.87 0.00 3.09 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 0.00 166 D 8.68 4.91 0.00 2.98 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 0.00 167 A 8.62 3.98 1.33 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 0.00 0.00 168 P 0.00 4.21 0.00 2.21 2.14 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 169 T 8.92 3.97 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 170 A 8.34 3.91 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 0.00 171 E 8.26 3.76 0.00 2.13 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 2.22 2.29 0.00 172 K 7.60 3.57 0.00 1.86 1.44 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.61 7.81 173 I 7.69 3.73 1.87 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 1.47 0.81 0.89 0.00 0.00 174 V 7.97 3.53 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 0.82 0.00 0.00 0.89 0.00 0.00 175 S 7.65 4.19 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 F 7.65 4.66 0.00 3.39 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 0.00 177 I 8.29 4.18 2.10 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 1.59 0.97 0.99 0.00 0.00 178 D 8.75 4.62 0.00 2.92 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 0.00 179 K 8.10 3.98 0.00 1.95 2.17 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.54 7.81 180 A 8.42 4.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 8.42 3.39 0.00 2.90 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 0.00 182 V 7.39 4.18 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 0.82 0.00 0.00 1.11 0.00 0.00 183 S 7.71 4.60 0.00 3.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 8.31 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 E 7.64 4.65 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 186 F 7.00 4.41 0.00 1.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 6.19 2.70 1.63 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 -0.64 0.00 0.00 0.53 0.00 0.00 188 D 7.45 4.58 0.00 2.49 2.55 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 0.00 189 L 7.66 4.21 0.00 1.74 1.68 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 190 Y 8.59 5.02 0.00 3.00 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 0.00 191 W 9.58 4.59 0.00 3.49 3.47 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 0.00 192 D 7.41 3.56 0.00 2.21 2.55 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 0.00 193 N 8.14 4.84 0.00 3.31 3.12 0.00 0.00 6.50 7.84 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 *195 V 7.88 4.06 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 1.35 0.00 0.00 0.72 0.00 0.00 196 K 8.33 3.86 0.00 1.70 1.80 0.00 0.61 0.00 0.00 0.62 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.27 7.81 197 D 8.12 4.57 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 8.05 4.81 0.00 2.34 1.97 0.00 0.00 6.53 8.15 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 0.00 199 I 8.14 3.76 2.00 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 1.47 1.27 0.95 0.00 0.00 200 K 8.06 4.14 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.51 7.81 201 E 8.37 4.60 0.00 2.24 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 2.37 2.49 0.00 202 L 7.82 4.86 0.00 1.79 1.75 1.16 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 203 D 8.68 4.78 0.00 2.78 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 0.00 204 V 7.83 4.73 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 0.71 0.00 0.00 1.29 0.00 0.00 205 Y 9.08 5.12 0.00 2.88 2.82 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 0.00 206 V 8.62 4.58 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.56 0.00 0.00 207 E 8.72 4.20 0.00 1.47 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 1.94 2.19 0.00 208 E 8.48 4.59 0.00 1.88 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 2.47 2.35 0.00 209 L 8.90 4.72 0.00 1.68 1.66 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 210 E 8.86 4.15 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 211 G 8.73 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 0.00 212 N 7.93 4.87 0.00 2.51 2.78 0.00 0.00 6.05 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 0.00 213 S 8.57 4.40 0.00 4.08 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 0.00 214 I 7.76 5.02 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 1.03 0.00 0.00 215 Y 9.45 4.72 0.00 3.61 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 0.00 216 E 8.64 5.09 0.00 1.83 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 2.30 2.28 0.00 217 I 8.40 4.56 2.16 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 1.11 0.00 0.00 218 D 9.71 4.81 0.00 2.81 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 S 7.57 4.86 0.00 4.18 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 0.00 220 V 8.36 3.83 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 1.06 0.00 0.00 1.00 0.00 0.00 221 Q 8.12 4.08 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 222 D 8.21 4.54 0.00 3.08 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 0.00 223 Y 8.12 4.09 0.00 3.15 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 0.00 224 R 8.57 3.75 0.00 2.07 1.98 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 225 K 8.22 3.98 0.00 2.11 1.98 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 226 L 7.87 3.54 0.00 0.78 1.37 0.05 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 227 E 7.71 3.63 0.00 1.88 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 1.51 1.63 0.00 228 E 7.65 3.86 0.00 2.06 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 2.30 2.38 0.00 229 I 7.35 3.84 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.98 0.00 0.00 230 L 8.21 3.96 0.00 1.34 1.57 0.08 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 231 K 7.60 4.13 0.00 1.83 1.71 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.