NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9231 8.3016 109.1173 45.2290 0.0000 173.7741 4 D 4.2991 8.3856 123.0710 52.3631 42.8423 175.0949 5 K 3.8100 9.5179 129.1808 59.9717 32.6715 178.6376 6 K 4.1360 8.0925 117.8992 59.1052 31.8610 179.4005 7 V 3.6848 8.1310 118.8708 66.2077 31.4022 178.2223 8 I 3.7490 7.7950 119.5174 64.3620 36.8748 178.4687 9 Q 3.9748 8.0579 118.9619 59.1847 28.4414 178.5167 10 H 4.1502 8.3351 117.2117 58.9633 28.7088 177.8238 11 L 4.0081 8.2745 121.0255 58.0274 41.4651 179.4461 12 N 4.3712 8.6371 116.7208 55.7438 38.4107 177.5821 13 K 3.9420 8.1267 121.4526 59.4956 32.3683 178.8760 14 I 3.6901 7.9746 120.3334 64.2616 36.9412 177.8886 15 L 4.0450 8.2924 121.5968 58.4263 41.8618 179.4205 16 G 3.5795 8.2080 105.3242 47.8098 0.0000 175.3767 17 N 4.3564 8.2530 118.7659 56.1725 38.4670 177.3173 18 E 3.9716 8.2266 119.9621 59.4252 29.5282 179.3740 19 L 3.9690 8.1797 119.2310 57.7094 41.5412 179.6437 20 I 3.6999 7.7291 119.5142 64.3784 37.0179 178.3197 21 A 3.3108 7.8406 121.4537 54.7884 18.0708 179.5378 22 I 3.6088 7.9013 118.6932 64.8530 37.2660 178.4530 23 N 4.3809 7.6676 115.6227 56.1132 38.3095 177.4456 24 Q 3.8374 8.1763 121.2632 59.5422 29.1434 177.9888 25 Y 4.7002 7.8627 119.2544 60.4040 37.8449 178.1222 26 F 3.8651 8.5165 121.8769 61.2530 39.5321 177.0338 27 L 4.0206 8.1650 119.9424 58.3067 41.8019 178.4561 28 H 3.8304 8.3548 116.4967 58.7123 28.5278 177.4702 29 S 4.3413 8.4085 115.2128 61.8572 62.2272 176.6743 30 R 3.8351 7.8292 120.3317 59.0615 29.8303 179.0978 31 M 3.5051 7.8443 118.8237 57.9241 31.8477 178.6722 32 W 4.4750 7.9945 119.4102 59.9655 29.2087 178.3439 33 N 4.4043 8.5030 116.6204 56.3972 37.7618 176.9984 34 D 4.4019 7.8794 118.3880 56.5243 41.3541 177.3441 35 W 4.9983 7.7943 116.7346 56.4013 29.5693 177.0455 36 G 4.0049 8.2819 108.1372 45.8882 0.0000 174.1062 37 L 4.8250 7.9890 122.2635 53.2576 40.2817 177.4429 38 K 4.0932 8.4383 122.2884 59.0156 32.4016 178.9250 39 R 3.8648 7.9262 119.2404 59.4071 29.9354 178.6253 40 L 3.9106 7.7569 118.5230 57.5256 41.5382 179.5317 41 G 3.7401 8.2962 105.6169 47.6558 0.0000 175.7452 42 A 4.0540 8.3469 123.3563 55.1586 18.4729 179.1878 43 H 3.9601 8.3110 116.8131 59.4436 29.4339 177.1757 44 E 3.9641 8.6010 121.4087 59.1968 29.4954 177.9609 45 Y 3.9800 8.0936 119.7404 61.1930 38.8331 178.0831 46 H 3.9995 8.1572 116.9191 58.6952 28.7326 177.6738 47 E 3.8387 8.1306 120.5648 59.1687 29.1443 179.2036 48 S 4.2554 8.2661 113.2883 61.5905 62.5278 176.1586 49 I 3.5763 7.4816 122.2954 64.7101 36.8558 178.2138 50 D 4.2893 8.0490 119.4643 57.2641 40.5346 178.6849 51 E 4.2050 8.3290 119.2522 59.6395 29.4445 179.1848 52 M 4.0354 8.1547 118.8452 58.4686 32.1356 179.0272 53 K 4.0048 8.1276 118.5213 59.6183 32.1858 179.1907 54 H 4.2685 8.2264 116.3974 58.8551 28.5558 177.6893 55 A 4.0282 8.2497 122.6774 55.0129 18.1655 179.0856 56 D 4.2572 8.2294 116.5537 57.6289 41.3293 178.7653 57 K 4.0170 7.9756 118.5856 59.3451 31.9095 179.4123 58 L 3.9951 8.0604 119.2719 57.8245 41.6670 179.2963 59 I 3.7027 7.9597 119.9678 64.8228 37.1125 178.3490 60 E 4.0503 8.2611 119.1015 59.0975 29.1494 179.4705 61 R 3.9551 8.0738 118.8682 59.5548 30.1869 178.3138 62 I 3.7170 8.0112 119.9491 64.7001 37.1205 178.4017 63 L 3.9973 7.9045 119.2252 57.7315 41.2464 179.2329 64 F 4.2440 8.1150 119.5064 61.2576 39.1844 176.3868 65 L 3.9615 8.2284 116.2512 54.3743 41.0889 177.2412 66 E 3.6241 7.9462 117.4952 57.3157 27.1244 174.7735 67 G 3.9158 8.0992 108.8737 44.3239 0.0000 173.5720 68 L 4.6059 8.0174 118.7894 52.0066 42.9362 175.1489 69 P 4.4099 0.0000 0.0000 62.3555 31.8158 176.0099 70 N 4.6617 9.0297 122.6299 52.4312 38.1285 173.8253 71 L 4.5390 8.2368 123.3965 54.4440 42.2239 177.4170 72 Q 4.1343 8.3937 121.7895 57.5204 29.5251 175.5256 73 D 4.5784 8.1432 117.8885 52.8025 41.3639 175.3100 74 L 4.4619 8.3136 126.9791 52.8116 43.0329 176.4175 75 G 3.8168 8.3110 116.1015 44.6182 0.0000 171.4680 76 K 4.0712 8.3310 120.7940 55.7807 32.4489 176.7664 77 L 4.0783 8.4187 127.0139 54.6933 42.0910 177.2676 78 L 4.3970 8.7416 124.9459 53.3837 40.5301 174.6935 79 I 4.2866 7.9720 123.2871 59.3568 38.4392 176.5979 80 G 4.0391 8.6703 115.0810 44.6196 0.0000 172.5431 81 E 4.7343 8.9086 115.0001 55.6223 30.7212 175.4731 82 N 5.1375 7.7114 116.8459 50.7207 41.9234 174.9993 83 T 4.3854 8.6477 116.4688 67.2403 68.5528 176.2540 84 Q 4.0044 8.2530 120.6505 59.5734 28.9489 178.3770 85 E 4.0533 9.1052 119.8091 59.5243 29.5028 179.1678 86 M 3.9690 8.6656 119.2265 58.3051 31.9197 178.8204 87 L 4.1859 8.2687 119.1213 57.9819 41.7881 179.3877 88 Q 4.0061 8.1804 119.5095 59.2704 28.8513 178.0782 89 C 4.2224 8.6069 118.3564 62.9556 28.1531 175.7559 90 D 4.6346 8.4401 120.5310 57.2303 40.3295 178.6479 91 L 3.9605 8.1224 120.8903 58.3555 42.0350 178.7704 92 N 4.3412 8.5756 116.8477 56.1824 38.4401 177.1808 93 L 3.9954 8.3145 121.9561 58.3351 42.3621 178.9497 94 E 4.0905 8.7348 118.9531 59.4008 29.4653 179.3867 95 L 4.0577 8.2659 119.3385 57.4938 41.6945 179.4114 96 K 3.9500 7.9756 119.5790 59.4095 32.1577 178.6705 97 A 4.0233 8.0951 121.1220 55.5323 18.3056 179.5339 98 T 3.9106 7.9275 111.2972 64.8041 67.4083 176.5275 99 K 3.9190 7.9743 121.4684 59.8190 32.2534 178.5792 100 D 4.4553 8.0451 118.4440 56.9756 40.6767 178.8489 101 L 3.9977 7.8941 119.8337 57.8380 41.5811 179.5400 102 R 3.9400 8.0658 117.9542 59.3374 30.0434 178.8911 103 E 3.9377 8.2245 118.0218 59.5156 29.4578 179.3643 104 A 3.6253 8.0773 120.6255 55.0145 18.3564 179.8450 105 I 3.6488 7.8213 118.4499 64.2831 37.2049 178.4054 106 V 3.5540 8.0221 119.6448 66.5677 31.3464 177.5387 107 H 4.0445 8.0640 117.3824 59.4848 29.6312 176.8671 108 C 4.0153 8.2212 118.5917 62.6620 27.8410 175.5837 109 E 3.9059 8.1127 120.7924 59.4476 29.0371 178.3646 110 Q 3.9796 7.6035 117.9568 59.1914 29.0499 178.3764 111 V 3.9733 7.1153 109.5094 60.4289 31.8650 175.5208 112 H 3.0013 7.8026 114.2688 56.8103 26.9224 176.0989 113 D 4.5046 7.6428 120.8399 53.5340 39.1283 175.2438 114 Y 4.3431 7.6546 122.4092 60.2696 38.3978 177.3163 115 V 3.6470 7.8473 118.9855 66.1364 31.7519 178.1704 116 S 4.1949 8.2584 114.5384 61.3653 62.5891 176.5930 117 R 3.8917 7.9600 121.2799 59.5028 29.8592 177.9704 118 D 4.3372 8.3471 117.9288 57.2272 41.1821 178.0094 119 L 3.9293 8.0066 120.7024 58.3431 42.1155 179.0943 120 L 4.0320 8.0057 118.8965 57.5111 41.5322 179.3096 121 K 3.9692 8.3030 119.8359 59.6328 32.0786 178.6438 122 D 4.3914 8.0817 119.2419 57.3127 40.6509 178.7888 123 I 3.5487 7.7166 120.3492 64.1879 37.0177 178.1763 124 L 3.9366 8.3089 121.6581 58.1328 41.8780 178.7023 125 E 3.9229 8.3054 119.3046 59.2907 29.5824 178.7205 126 S 4.1574 8.1733 113.2656 61.4758 62.4327 176.0123 127 E 4.1137 8.6034 121.6725 59.4545 29.0793 179.1980 128 E 4.0436 8.5476 118.9307 59.2599 29.3876 179.2034 129 E 4.0007 8.3229 118.8548 59.7529 29.5859 178.8281 130 H 4.3232 8.3662 118.2351 59.3042 29.7518 177.4624 131 I 3.7421 7.9897 121.8809 64.1503 36.9508 177.5040 132 D 4.3546 8.3656 119.2612 57.7138 40.9483 177.6553 133 Y 4.1036 8.2827 119.8406 60.9286 38.7456 178.3784 134 L 3.8034 8.1323 119.5362 57.8568 41.6765 179.3822 135 E 3.9427 8.4233 118.7750 59.6115 29.3712 179.4731 136 T 3.7914 7.8582 115.7984 66.7168 68.4155 176.6718 137 Q 3.8057 7.8196 119.9062 58.8653 28.6079 178.7659 138 L 3.8678 7.8588 120.1129 57.5482 41.6034 179.8549 139 G 3.6244 8.2315 105.8920 47.7951 0.0000 175.6079 140 L 4.0023 8.2734 122.1067 57.6297 41.7417 179.5298 141 I 3.5164 7.5483 119.7005 64.6590 36.7382 178.4742 142 Q 3.9979 7.3133 116.3435 58.7696 28.6678 178.3840 143 K 4.1582 7.9005 118.6430 58.4939 32.3015 178.8600 144 V 4.2015 8.2637 110.5958 59.9176 33.1741 176.9727 145 G 3.9871 7.6424 105.9696 45.5729 0.0000 174.2790 146 L 3.9493 8.6470 123.5831 58.1270 42.1264 179.3222 147 E 3.9726 8.1673 117.8756 59.6259 29.4927 178.9878 148 N 4.3467 8.1389 115.9468 56.3675 38.4297 176.6776 149 Y 4.0044 8.0470 120.2353 60.6052 39.1230 177.8160 150 L 4.0987 8.3480 120.1488 57.7951 41.8425 178.8945 151 Q 3.9097 8.0802 119.5493 59.6429 28.7389 178.8425 152 S 4.3380 7.8124 112.1882 59.9376 63.0515 174.3800 153 H 4.6831 7.8228 118.8203 55.6601 29.4422 175.8439 154 M 4.3154 8.0605 121.8084 57.4512 31.9518 176.1331 155 H 5.0288 7.6113 114.0679 53.5621 31.0496 174.3296 156 E 4.1340 8.7697 121.8742 56.7990 29.2483 176.8354 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 G 8.30 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 4 D 8.39 4.30 0.00 2.87 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 5 K 9.52 3.81 0.00 1.94 1.79 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.12 7.81 6 K 8.09 4.14 0.00 2.07 1.53 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.53 1.06 7.81 7 V 8.13 3.68 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 1.23 0.00 0.00 0.99 0.00 0.00 8 I 7.79 3.75 2.01 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 1.52 0.53 0.91 0.00 0.00 9 Q 8.06 3.97 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 10 H 8.34 4.15 0.00 3.44 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.27 4.01 0.00 1.86 1.74 0.96 0.79 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 12 N 8.64 4.37 0.00 2.84 2.85 0.00 0.00 6.66 7.05 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 13 K 8.13 3.94 0.00 1.92 1.95 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.97 3.69 2.00 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 1.67 1.00 0.92 0.00 0.00 15 L 8.29 4.05 0.00 1.82 1.91 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.21 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 17 N 8.25 4.36 0.00 2.95 2.88 0.00 0.00 6.98 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 18 E 8.23 3.97 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 19 L 8.18 3.97 0.00 1.77 1.68 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.73 3.70 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 1.54 0.81 0.84 0.00 0.00 21 A 7.84 3.31 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 22 I 7.90 3.61 1.95 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 1.51 0.68 0.88 0.00 0.00 23 N 7.67 4.38 0.00 2.80 2.83 0.00 0.00 6.74 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 24 Q 8.18 3.84 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 25 Y 7.86 4.70 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.52 3.87 0.00 3.31 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 27 L 8.17 4.02 0.00 1.83 1.68 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.35 3.83 0.00 3.49 2.83 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.41 4.34 0.00 3.89 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 30 R 7.83 3.84 0.00 1.97 1.88 0.00 2.99 0.00 0.00 2.66 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 31 M 7.84 3.51 0.00 0.90 1.56 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 2.45 2.17 0.00 32 W 7.99 4.48 0.00 3.67 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 33 N 8.50 4.40 0.00 2.87 2.85 0.00 0.00 6.66 8.48 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 34 D 7.88 4.40 0.00 2.57 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.79 5.00 0.00 3.79 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 36 G 8.28 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.99 4.82 0.00 1.96 1.62 1.29 0.80 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 38 K 8.44 4.09 0.00 1.95 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.93 3.86 0.00 2.01 1.92 0.00 3.20 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 40 L 7.76 3.91 0.00 1.19 0.15 0.18 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.30 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.35 4.05 1.43 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 0.00 0.00 43 H 8.31 3.96 0.00 3.34 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.60 3.96 0.00 2.54 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 0.00 2.74 2.70 0.00 45 Y 8.09 3.98 0.00 3.05 3.06 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 46 H 8.16 4.00 0.00 3.30 3.25 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.13 3.84 0.00 1.94 1.68 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 2.19 2.04 0.00 48 S 8.27 4.26 0.00 4.05 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 49 I 7.48 3.58 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 0.89 0.44 0.84 0.00 0.00 50 D 8.05 4.29 0.00 2.65 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 51 E 8.33 4.20 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.72 0.00 52 M 8.15 4.04 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 53 K 8.13 4.00 0.00 1.86 1.80 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.56 7.81 54 H 8.23 4.27 0.00 3.40 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.25 4.03 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 56 D 8.23 4.26 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.98 4.02 0.00 2.05 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.64 7.81 58 L 8.06 4.00 0.00 1.89 1.73 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.96 3.70 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.92 0.00 0.00 60 E 8.26 4.05 0.00 2.17 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 0.00 2.34 2.45 0.00 61 R 8.07 3.96 0.00 2.09 2.13 0.00 3.31 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.01 3.72 2.05 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 1.54 0.68 0.93 0.00 0.00 63 L 7.90 4.00 0.00 2.09 1.77 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.11 4.24 0.00 2.98 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.23 3.96 0.00 1.86 1.61 0.97 1.23 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 66 E 7.95 3.62 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 67 G 8.10 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 68 L 8.02 4.61 0.00 1.61 1.59 0.91 0.99 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 69 P 0.00 4.41 0.00 2.04 1.99 0.00 3.65 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 2.03 2.08 0.00 70 N 9.03 4.66 0.00 2.65 2.82 0.00 0.00 7.16 8.49 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 71 L 8.24 4.54 0.00 1.63 1.64 0.91 0.94 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 72 Q 8.39 4.13 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.14 4.58 0.00 2.69 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 74 L 8.31 4.46 0.00 1.53 1.54 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.31 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 76 K 8.33 4.07 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.51 7.81 77 L 8.42 4.08 0.00 1.63 1.55 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.74 4.40 0.00 1.79 1.68 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.97 4.29 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.88 0.00 0.00 80 G 8.67 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 0.00 0.00 0.00 81 E 8.91 4.73 0.00 2.14 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 0.00 2.48 2.20 0.00 82 N 7.71 5.14 0.00 2.92 2.88 0.00 0.00 6.22 7.22 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 83 T 8.65 4.39 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 1.55 0.00 0.00 84 Q 8.25 4.00 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 85 E 9.11 4.05 0.00 2.33 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 0.00 2.35 2.45 0.00 86 M 8.67 3.97 0.00 1.21 2.08 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.22 0.00 87 L 8.27 4.19 0.00 1.77 1.76 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.18 4.01 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.61 4.22 0.00 3.27 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 90 D 8.44 4.63 0.00 2.96 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 91 L 8.12 3.96 0.00 1.87 1.88 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.58 4.34 0.00 2.94 2.88 0.00 0.00 6.72 6.28 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 93 L 8.31 4.00 0.00 1.89 1.96 0.92 1.22 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 94 E 8.73 4.09 0.00 2.17 2.04 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 2.62 2.48 0.00 95 L 8.27 4.06 0.00 1.71 1.73 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.98 3.95 0.00 1.83 1.99 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.10 4.02 1.44 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 0.00 0.00 98 T 7.93 3.91 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 99 K 7.97 3.92 0.00 1.92 1.94 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.50 7.81 100 D 8.05 4.46 0.00 2.91 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 0.00 101 L 7.89 4.00 0.00 1.88 1.72 0.92 0.92 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 0.00 102 R 8.07 3.94 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 103 E 8.22 3.94 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 104 A 8.08 3.63 1.34 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 0.00 105 I 7.82 3.65 1.99 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 1.42 0.58 0.93 0.00 0.00 106 V 8.02 3.55 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.02 0.00 0.00 107 H 8.06 4.04 0.00 3.28 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.22 4.02 0.00 3.12 3.19 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 0.00 109 E 8.11 3.91 0.00 2.15 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 0.00 2.38 2.46 0.00 110 Q 7.60 3.98 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 111 V 7.12 3.97 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 0.72 0.00 0.00 0.87 0.00 0.00 112 H 7.80 3.00 0.00 3.07 3.02 0.00 5.66 0.00 0.00 0.00 0.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.64 4.50 0.00 2.59 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 0.00 114 Y 7.65 4.34 0.00 3.07 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 0.00 115 V 7.85 3.65 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 1.07 0.00 0.00 0.99 0.00 0.00 116 S 8.26 4.19 0.00 4.12 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 0.00 117 R 7.96 3.89 0.00 1.97 2.21 0.00 3.22 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.35 4.34 0.00 3.02 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 0.00 119 L 8.01 3.93 0.00 1.95 1.85 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.01 4.03 0.00 1.89 1.70 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.30 3.97 0.00 1.93 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.65 7.81 122 D 8.08 4.39 0.00 2.93 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 0.00 123 I 7.72 3.55 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.82 0.00 0.00 124 L 8.31 3.94 0.00 1.82 1.86 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.31 3.92 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 126 S 8.17 4.16 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.60 4.11 0.00 2.04 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 0.00 2.63 2.52 0.00 128 E 8.55 4.04 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 129 E 8.32 4.00 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 130 H 8.37 4.32 0.00 3.26 3.50 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.99 3.74 2.04 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 1.43 0.67 0.93 0.00 0.00 132 D 8.37 4.35 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 0.00 133 Y 8.28 4.10 0.00 3.12 3.19 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 0.00 134 L 8.13 3.80 0.00 1.92 1.68 1.12 0.62 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 0.00 135 E 8.42 3.94 0.00 1.98 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 2.31 2.46 0.00 136 T 7.86 3.79 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 1.17 0.00 0.00 137 Q 7.82 3.81 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.44 1.92 0.00 138 L 7.86 3.87 0.00 1.83 1.63 0.84 0.86 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 0.00 139 G 8.23 3.62 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 0.00 0.00 0.00 140 L 8.27 4.00 0.00 1.80 1.90 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.55 3.52 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.30 0.80 0.00 0.00 142 Q 7.31 4.00 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 143 K 7.90 4.16 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 144 V 8.26 4.20 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 0.78 0.00 0.00 1.08 0.00 0.00 145 G 7.64 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 0.00 146 L 8.65 3.95 0.00 1.76 1.68 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.17 3.97 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 148 N 8.14 4.35 0.00 3.06 2.89 0.00 0.00 6.73 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 0.00 149 Y 8.05 4.00 0.00 2.97 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 0.00 150 L 8.35 4.10 0.00 1.89 1.73 0.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.08 3.91 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 152 S 7.81 4.34 0.00 3.76 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 0.00 153 H 7.82 4.68 0.00 3.03 3.05 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.06 4.32 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.44 0.00 155 H 7.61 5.03 0.00 3.08 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.77 4.13 0.00 1.95 1.87 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 2.32 2.31 0.00