NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4110 8.2893 120.3486 55.3720 33.0993 174.7278 2 N 4.6646 8.5843 124.0136 51.4350 38.9482 172.9792 3 I 4.5975 8.7950 121.0475 59.5814 41.9037 176.3429 4 I 4.3746 8.3208 123.7624 59.6317 38.5506 175.1297 5 K 4.4445 8.6164 124.8260 54.3962 34.0244 176.2258 6 A 4.5828 8.3816 126.3435 50.7201 20.9367 174.8783 7 N 5.0653 8.1929 116.6514 51.9985 41.8883 175.4092 8 V 3.9423 8.0935 113.7157 62.3557 32.4097 176.3173 9 A 4.2193 8.0762 123.7259 52.1135 18.7029 178.0605 10 A 4.6415 8.2790 122.5741 51.2089 21.6079 174.0695 11 P 4.7339 0.0000 0.0000 64.8620 32.1653 178.9070 12 D 4.6974 8.0676 115.5117 54.3095 40.5096 175.8001 13 A 4.6098 7.6487 124.5255 51.8955 20.1457 178.2918 14 R 4.8273 9.4772 120.7938 55.1062 32.6358 175.8554 15 V 4.9223 8.8279 124.3339 59.9925 34.7737 173.9658 16 A 4.8673 8.4029 128.5392 50.0599 21.6273 175.1483 17 I 4.7892 8.6367 123.5933 59.5510 39.5891 174.6837 18 T 4.7440 8.5847 117.6740 59.9972 70.7936 173.3677 19 I 5.2304 8.2299 126.6365 58.2595 40.4065 174.5462 20 A 5.0094 8.4285 127.9611 51.3176 19.1334 177.9539 21 R 4.4290 9.3270 119.6092 58.5140 30.2384 177.0081 22 F 4.6202 8.1928 121.2829 59.9637 39.6839 174.3358 23 N 4.6917 9.8600 123.9976 54.5023 35.5088 176.1527 24 Q 4.1746 8.3895 120.3801 59.3986 28.0731 177.8652 25 F 3.8034 8.4893 121.5623 61.2224 39.4172 176.4873 26 I 4.1864 8.2295 118.5980 63.8380 37.7736 177.8268 27 N 4.3795 8.2785 116.6193 56.2509 38.2582 176.9583 28 D 4.5782 8.8186 121.0620 57.6410 41.0140 178.8026 29 S 4.0736 7.9662 112.9691 61.0413 62.4229 175.4539 30 L 4.0681 7.7979 123.2531 58.6858 41.6911 178.2793 31 L 3.8660 8.5253 120.5485 57.6393 41.8819 178.8010 32 D 4.4974 8.4426 118.5730 57.2080 40.9239 179.6675 33 G 3.6311 8.1945 105.9031 47.8367 0.0000 175.2235 34 A 3.9352 7.8334 123.3240 54.6803 18.4740 179.3584 35 V 3.4464 8.0040 116.8282 66.2926 31.5556 177.3351 36 D 4.3109 8.2299 117.2976 57.6155 40.9873 177.8161 37 A 3.9207 8.2492 121.1562 55.6917 18.3057 179.0586 38 L 3.8964 8.3907 117.0280 59.1309 41.8329 179.7817 39 T 4.2449 8.1549 110.9314 64.0848 68.5824 176.2914 40 R 3.8563 8.1246 123.7457 58.3187 30.6755 178.1023 41 I 4.0514 7.9690 117.2106 63.6555 37.7155 177.2259 42 G 3.7321 7.9546 106.5446 45.1468 0.0000 173.9357 43 Q 3.8054 8.2322 119.9573 56.5609 28.2402 172.8024 44 V 3.9135 7.5422 116.8097 61.9446 32.1650 175.2162 45 K 4.1715 8.5418 128.7077 56.2662 32.6585 176.5179 46 D 4.8596 8.7735 124.5375 53.9163 39.2516 176.1997 47 D 4.7930 7.9840 117.2291 53.7421 40.1911 176.3425 48 N 4.7147 8.4206 117.6442 53.7264 39.3887 174.1710 49 I 4.9247 7.5951 120.2199 60.4035 38.3265 175.2343 50 T 4.7195 8.8633 117.3530 59.7038 71.9313 172.9909 51 V 4.6329 8.3947 123.4650 61.0479 34.1926 174.5443 52 V 4.3106 8.8572 128.2653 60.7793 33.7635 174.5113 53 W 4.8482 8.9980 129.1089 56.6097 29.5130 176.5238 54 V 4.3336 8.6683 119.1423 59.1047 33.6530 174.7046 55 P 4.3352 0.0000 0.0000 64.9728 31.3083 177.0905 56 G 4.4724 7.9603 108.2422 42.8330 0.0000 174.0420 57 A 4.0938 8.4663 120.4596 54.7376 18.0967 179.2413 58 Y 4.2089 8.1502 117.1186 60.6197 39.2616 177.3230 59 E 4.1267 8.1977 118.9373 57.8565 29.6255 178.4049 60 L 3.9192 7.5677 119.7430 58.2878 41.6216 176.9360 61 P 4.1725 0.0000 0.0000 64.8003 31.1175 177.9610 62 L 3.8807 7.7042 117.9448 58.4881 42.3099 179.4100 63 A 3.9803 7.8118 120.0350 55.5765 18.3627 179.8212 64 T 3.8336 8.1797 108.5211 64.5820 68.7562 176.0378 65 E 3.8420 9.0259 122.8555 59.2246 29.5716 178.3306 66 A 3.9999 7.9960 120.4251 55.6586 18.2184 179.6134 67 L 4.0989 7.5848 114.8130 57.8808 41.9316 179.4952 68 A 4.2359 8.1805 120.7388 55.1180 18.2763 179.7968 69 K 3.9090 8.2719 116.2657 59.6362 32.1421 178.9887 70 S 4.1903 8.1569 112.9284 59.4170 62.1869 175.9668 71 G 3.9483 8.5573 110.3060 46.4310 0.0000 176.1376 72 K 3.8556 7.7771 120.4873 56.3639 31.8314 182.1551 73 Y 5.1348 6.9540 113.7349 56.8604 40.8005 175.4064 74 D 4.7309 9.2429 121.9174 56.0120 41.8502 176.4958 75 A 4.5315 7.3713 117.3014 51.2193 22.4955 175.0735 76 V 4.6849 8.2150 120.0726 61.0336 34.5384 174.5162 77 V 4.3387 8.7563 128.3375 61.5494 33.2579 174.1977 78 A 4.9181 8.5916 130.3568 49.7464 20.7491 175.2384 79 L 5.3254 7.9099 123.1637 52.7419 44.4346 176.3884 80 G 4.2132 7.7827 108.3967 45.8951 0.0000 171.8770 81 T 5.0601 8.5087 116.0233 61.5239 72.0557 174.3804 82 V 4.2207 9.0363 125.0305 61.3469 34.0706 173.8885 83 I 4.6782 8.1853 128.5892 59.6778 38.6695 175.9431 84 R 3.6644 8.3567 127.6439 56.4639 30.3241 176.3279 85 G 4.4278 8.3407 116.0297 44.2978 0.0000 172.9071 86 G 3.6539 8.7682 107.6269 47.3545 0.0000 173.3021 87 T 4.5327 7.5938 108.4115 59.7006 71.5278 173.5143 88 A 4.4692 8.3734 121.3211 52.7485 18.7972 178.6701 89 H 4.2878 8.2988 120.2507 60.2816 29.7505 176.9071 90 F 4.0395 8.4910 121.9397 61.5388 39.0045 176.6373 91 E 3.5849 8.0028 118.4573 59.4842 29.3887 178.3741 92 Y 4.3133 7.4043 115.9118 60.7773 38.2689 177.4530 93 V 3.6793 7.6959 119.3725 65.7596 31.5645 177.7114 94 A 4.0689 7.8327 120.1700 55.2850 18.0902 179.6885 95 G 3.6175 8.1451 104.5422 47.8029 0.0000 175.9758 96 G 3.8754 8.6342 107.9018 45.6126 0.0000 174.7460 97 A 4.3294 7.8434 122.7348 54.3302 19.7061 179.1548 98 S 4.1621 8.2715 111.8607 61.8805 62.3840 176.2437 99 N 4.4566 8.5028 119.3297 55.8900 38.3440 177.4249 100 G 3.7233 7.6731 105.8197 48.0684 0.0000 175.5217 101 L 3.9919 8.0188 121.7023 57.2064 41.8207 179.5632 102 A 3.9839 8.0179 120.6174 55.1215 18.2583 179.4986 103 S 3.9495 8.2879 111.6668 61.5263 62.4507 176.1841 104 V 3.5418 7.7568 120.6966 66.2735 31.1371 177.7892 105 A 4.2854 7.8324 121.1313 54.8098 18.0133 179.4336 106 Q 3.9010 7.6941 116.5872 59.1774 29.1453 177.8161 107 D 4.5246 8.0663 119.4604 57.0560 41.2499 178.5213 108 S 4.3403 8.2931 112.9232 58.7712 63.4404 175.6295 109 G 3.8953 8.1079 109.4481 45.7011 0.0000 173.7576 110 V 3.9633 7.5254 121.0451 61.6126 33.0654 173.5978 111 P 4.4520 0.0000 0.0000 62.6993 32.4435 175.1617 112 V 4.9114 8.4167 123.6446 61.0203 34.0841 174.1947 113 A 4.5027 8.8678 130.1457 50.8495 20.6607 176.1917 114 F 4.8301 9.0030 126.4179 56.1339 38.4672 175.9265 115 G 3.9876 8.1316 118.3833 45.0008 0.0000 170.9774 116 V 4.5456 6.1728 117.6132 60.5397 33.9203 176.0298 117 L 4.2573 8.7192 129.4207 55.0980 42.7352 176.7001 118 T 5.4219 8.6955 112.6364 58.8018 68.6833 172.5373 119 T 4.6035 8.1196 120.8029 61.0762 72.1038 175.1577 120 E 4.1684 9.9297 120.9685 57.2301 30.5024 177.2023 121 S 4.6902 7.5882 112.1274 55.5831 67.5677 174.7444 122 I 3.6755 8.2623 123.2707 64.3468 36.5926 177.9651 123 E 3.9286 8.1891 118.9247 59.7489 29.7635 178.6496 124 Q 4.2863 8.1276 117.4400 58.8113 28.7854 178.5253 125 A 4.0172 7.7950 121.7643 55.4537 17.9322 179.7265 126 I 3.7543 7.9339 118.1276 64.6719 37.1179 178.5484 127 E 4.6118 8.1066 120.3900 58.0928 29.2580 178.4187 128 R 4.5290 7.9344 115.7543 55.6856 30.5704 176.6923 129 A 4.8366 7.3049 120.9143 52.6366 19.5407 177.1625 130 G 4.4550 8.2339 107.8501 48.1156 0.0000 175.4012 131 T 4.6241 7.4916 115.2145 60.1171 68.7922 175.7201 132 K 3.7940 9.2237 117.1167 59.3326 31.7568 177.8628 133 A 4.5841 7.8170 119.3393 52.0323 20.0398 178.9648 134 G 3.7202 8.1505 110.2323 47.5446 0.0000 174.2527 135 N 5.2036 8.2463 118.0803 50.9063 41.0207 175.4101 136 K 4.0291 8.9836 129.0004 59.1145 32.0917 179.0859 137 G 4.0695 8.2664 107.6532 47.4076 0.0000 175.6405 138 A 4.0531 7.8833 123.4154 54.2605 18.4571 179.2444 139 E 3.8740 8.3286 117.9587 59.3227 29.7630 178.8247 140 A 4.0677 8.6159 122.4472 54.4186 18.4433 179.3921 141 A 3.9149 8.1536 119.3876 55.3297 18.3889 179.9128 142 L 3.9268 8.0126 117.6418 58.2078 41.2963 179.9275 143 T 3.8382 8.0949 109.3599 64.5019 68.5104 176.2382 144 A 3.9843 8.0222 123.8183 55.1143 18.3900 179.1276 145 L 3.8783 7.8168 116.9397 58.1507 41.7986 179.2332 146 E 4.1673 8.3540 120.3390 59.0608 29.4728 178.9291 147 M 4.0328 7.9784 118.1062 58.4709 31.9538 178.3876 148 I 3.6740 7.7469 119.8246 64.8736 37.2770 178.1209 149 N 4.3134 7.9761 116.3938 56.2593 38.1779 177.4507 150 V 3.5762 7.9319 118.9185 66.2348 31.7204 177.8858 151 L 4.0786 8.4491 118.7411 57.7560 41.3790 179.1895 152 K 3.8427 8.1721 118.6643 59.5533 32.1033 176.9888 153 A 4.4712 7.9863 120.1367 51.7764 19.3935 177.2520 154 I 3.8838 7.8683 121.0315 63.1852 37.7344 173.9654 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 1 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.66 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.80 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.44 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.58 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.19 5.07 0.00 2.73 2.64 0.00 0.00 6.85 7.71 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 8 V 8.09 3.94 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 0.90 0.00 0.00 0.93 0.00 0.00 9 A 8.08 4.22 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.28 4.64 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 11 P 0.00 4.73 0.00 2.23 2.39 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.07 4.70 0.00 2.69 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 13 A 7.65 4.61 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.48 4.83 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.83 4.92 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 0.96 0.00 0.00 0.95 0.00 0.00 16 A 8.40 4.87 0.30 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 17 I 8.64 4.79 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.78 0.69 0.00 0.00 18 T 8.58 4.74 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 1.09 0.00 0.00 19 I 8.23 5.23 0.72 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 0.79 -0.25 0.41 0.00 0.00 20 A 8.43 5.01 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 21 R 9.33 4.43 0.00 2.09 2.52 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 22 F 8.19 4.62 0.00 3.17 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 23 N 9.86 4.69 0.00 2.98 3.01 0.00 0.00 6.88 8.02 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 24 Q 8.39 4.17 0.00 2.51 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 25 F 8.49 3.80 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.23 4.19 2.12 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 1.66 0.80 0.95 0.00 0.00 27 N 8.28 4.38 0.00 2.88 2.92 0.00 0.00 7.08 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 28 D 8.82 4.58 0.00 2.66 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 29 S 7.97 4.07 0.00 3.81 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.80 4.07 0.00 1.93 1.64 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.53 3.87 0.00 1.79 1.78 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.44 4.50 0.00 2.88 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 33 G 8.19 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.83 3.94 1.37 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 0.00 0.00 35 V 8.00 3.45 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 0.97 0.00 0.00 0.94 0.00 0.00 36 D 8.23 4.31 0.00 2.81 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.25 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.39 3.90 0.00 1.84 1.74 0.88 0.60 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 39 T 8.15 4.24 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 1.23 0.00 0.00 40 R 8.12 3.86 0.00 1.81 2.23 0.00 3.25 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 7.97 4.05 2.08 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 1.23 0.96 0.91 0.00 0.00 42 G 7.95 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 0.00 0.00 0.00 43 Q 8.23 3.81 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.54 3.91 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 0.87 0.00 0.00 0.99 0.00 0.00 45 K 8.54 4.17 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.77 4.86 0.00 2.83 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 47 D 7.98 4.79 0.00 2.79 2.81 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 48 N 8.42 4.71 0.00 2.91 2.99 0.00 0.00 6.93 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 49 I 7.60 4.92 1.88 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 1.40 0.51 0.88 0.00 0.00 50 T 8.86 4.72 4.31 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 1.48 0.00 0.00 51 V 8.39 4.63 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 0.48 0.00 0.00 0.84 0.00 0.00 52 V 8.86 4.31 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.86 0.00 0.00 53 W 9.00 4.85 0.00 3.21 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.67 4.33 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 0.79 0.00 0.00 1.10 0.00 0.00 55 P 0.00 4.34 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.96 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.47 4.09 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 58 Y 8.15 4.21 0.00 2.91 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.20 4.13 0.00 2.00 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 2.64 2.58 0.00 60 L 7.57 3.92 0.00 1.78 1.70 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.17 0.00 2.03 1.85 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 62 L 7.70 3.88 0.00 1.63 1.67 0.92 1.00 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 63 A 7.81 3.98 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 64 T 8.18 3.83 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 1.27 0.00 0.00 65 E 9.03 3.84 0.00 1.99 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 2.31 2.34 0.00 66 A 8.00 4.00 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 67 L 7.58 4.10 0.00 1.76 1.70 0.66 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.18 4.24 1.37 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 0.00 0.00 69 K 8.27 3.91 0.00 1.85 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.60 7.81 70 S 8.16 4.19 0.00 3.91 4.21 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 71 G 8.56 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 72 K 7.78 3.86 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 6.95 5.13 0.00 3.01 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 74 D 9.24 4.73 0.00 2.55 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 75 A 7.37 4.53 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.21 4.68 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 0.96 0.00 0.00 0.86 0.00 0.00 77 V 8.76 4.34 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.59 4.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.91 5.33 0.00 1.38 1.40 0.84 0.66 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 80 G 7.78 4.21 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 0.00 81 T 8.51 5.06 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 1.19 0.00 0.00 82 V 9.04 4.22 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.68 1.85 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 1.24 0.69 0.87 0.00 0.00 84 R 8.36 3.66 0.00 0.67 1.39 0.00 3.06 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.15 0.00 85 G 8.34 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 0.00 0.00 0.00 0.00 86 G 8.77 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.59 4.53 4.31 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 1.24 0.00 0.00 88 A 8.37 4.47 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 89 H 8.30 4.29 0.00 3.24 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.49 4.04 0.00 3.11 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 91 E 8.00 3.58 0.00 1.96 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 2.00 2.17 0.00 92 Y 7.40 4.31 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.70 3.68 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 1.04 0.00 0.00 0.75 0.00 0.00 94 A 7.83 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.15 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 96 G 8.63 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 0.00 0.00 0.00 97 A 7.84 4.33 1.48 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 0.00 0.00 0.00 98 S 8.27 4.16 0.00 3.75 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.50 4.46 0.00 2.80 2.83 0.00 0.00 6.95 8.09 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 0.00 100 G 7.67 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 0.00 0.00 0.00 101 L 8.02 3.99 0.00 1.90 1.81 1.02 1.04 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 0.00 102 A 8.02 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.29 3.95 0.00 3.97 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 0.00 104 V 7.76 3.54 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 1.03 0.00 0.00 0.94 0.00 0.00 105 A 7.83 4.29 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 0.00 106 Q 7.69 3.90 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.07 4.52 0.00 2.69 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 0.00 108 S 8.29 4.34 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.11 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 0.00 0.00 0.00 110 V 7.53 3.96 2.10 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 0.99 0.00 0.00 0.98 0.00 0.00 111 P 0.00 4.45 0.00 2.12 1.97 0.00 3.79 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 2.12 2.09 0.00 112 V 8.42 4.91 2.10 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 0.85 0.00 0.00 0.99 0.00 0.00 113 A 8.87 4.50 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 0.00 114 F 9.00 4.83 0.00 2.98 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 0.00 115 G 8.13 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 0.00 116 V 6.17 4.55 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 0.68 0.00 0.00 -0.04 0.00 0.00 117 L 8.72 4.26 0.00 1.62 1.58 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.70 5.42 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 119 T 8.12 4.60 4.41 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 1.24 0.00 0.00 120 E 9.93 4.17 0.00 1.93 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 2.30 2.30 0.00 121 S 7.59 4.69 0.00 3.95 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 0.00 122 I 8.26 3.68 1.84 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 1.47 0.66 0.87 0.00 0.00 123 E 8.19 3.93 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.13 4.29 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.80 4.02 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 0.00 126 I 7.93 3.75 2.00 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 1.82 1.34 0.99 0.00 0.00 127 E 8.11 4.61 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 128 R 7.93 4.53 0.00 1.88 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.30 4.84 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.23 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.49 4.62 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 1.26 0.00 0.00 132 K 9.22 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.82 4.58 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 0.00 134 G 8.15 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 0.00 0.00 0.00 135 N 8.25 5.20 0.00 2.69 2.65 0.00 0.00 6.93 6.81 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 0.00 136 K 8.98 4.03 0.00 1.82 1.83 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.27 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 0.00 138 A 7.88 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 3.87 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 140 A 8.62 4.07 1.37 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 0.00 0.00 141 A 8.15 3.91 1.37 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 0.00 0.00 142 L 8.01 3.93 0.00 1.99 1.72 0.91 0.47 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 0.00 143 T 8.09 3.84 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 1.26 0.00 0.00 144 A 8.02 3.98 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 0.00 145 L 7.82 3.88 0.00 1.88 1.89 0.97 0.84 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 0.00 146 E 8.35 4.17 0.00 2.01 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 2.32 2.24 0.00 147 M 7.98 4.03 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 148 I 7.75 3.67 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 1.68 0.94 0.92 0.00 0.00 149 N 7.98 4.31 0.00 2.92 2.86 0.00 0.00 6.74 8.99 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 0.00 150 V 7.93 3.58 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 0.83 0.00 0.00 0.99 0.00 0.00 151 L 8.45 4.08 0.00 1.92 1.69 0.92 0.91 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 0.00 152 K 8.17 3.84 0.00 1.82 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 7.99 4.47 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 3.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.91 0.00 0.00