NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4106 8.3049 120.3479 54.9086 33.3704 175.3288 2 L 4.0005 8.3758 126.0372 54.3539 42.4006 175.3146 3 T 4.1283 8.5101 115.5914 64.3094 69.0215 174.7948 4 D 4.4989 7.5580 120.3657 51.5253 42.3943 173.0213 5 P 4.2179 0.0000 0.0000 65.3993 31.3790 178.1809 6 I 3.4757 7.7499 117.8617 64.1872 37.0667 178.1523 7 A 3.8828 7.8286 121.1097 55.0229 18.1670 179.0273 8 D 4.2275 8.0145 116.6046 57.6563 41.2283 178.3506 9 M 3.8804 8.1959 118.7011 58.7953 32.3212 177.9226 10 L 3.8406 7.9700 119.3524 58.3289 41.6620 179.9083 11 T 3.8719 7.9448 115.2506 66.4066 68.4675 177.0388 12 R 3.8414 8.2712 120.4146 59.5027 30.0755 179.1870 13 I 3.6203 7.8142 119.2659 64.2149 36.8930 178.3182 14 R 3.7389 7.6449 118.2289 59.7955 30.1715 177.8177 15 N 4.3043 8.8470 116.3331 56.1135 38.4767 176.8579 16 A 3.9825 8.3958 122.2870 55.9489 18.4036 179.8834 17 T 4.0060 7.9441 107.8990 64.9531 68.7005 177.0834 18 R 3.7037 7.8729 119.7572 57.8449 30.0391 177.7007 19 V 4.2189 7.2700 109.3217 60.4588 32.2790 174.8443 20 Y 3.7002 7.4778 115.9351 57.8702 35.5717 170.5764 21 K 4.1932 8.0894 118.0625 56.6408 33.1846 177.2857 22 E 4.3052 8.8864 121.6432 59.0252 29.8878 175.9986 23 S 5.0419 7.4963 109.9222 58.1267 66.5216 172.9182 24 T 4.4590 8.2773 111.8071 61.4315 70.7716 172.3320 25 D 5.3657 8.6569 128.0319 53.5201 42.8979 176.2513 26 V 4.6442 8.2632 113.1006 58.8831 36.3459 173.0848 27 P 3.5883 0.0000 0.0000 62.9352 31.6144 175.9822 28 A 4.3262 8.2832 126.9926 51.9114 19.2772 177.1633 29 S 4.5510 8.4504 114.4523 55.8336 66.2432 174.9691 30 R 3.9228 9.0596 124.0050 59.6901 29.8687 178.4770 31 F 4.5073 8.3468 119.3169 61.7460 39.2564 177.0457 32 K 3.6077 8.4148 118.1943 59.3140 31.7663 178.8838 33 E 3.5086 8.4026 119.7707 59.1507 29.6122 178.4588 34 E 4.0051 8.3876 118.9263 59.8001 29.6014 179.6249 35 I 3.8028 7.5375 119.3092 64.2134 37.0847 178.2462 36 L 3.8547 7.8537 120.1451 57.9912 41.3075 179.4373 37 R 4.1172 7.9549 117.6909 59.8645 30.1090 178.8763 38 I 3.7120 7.4620 117.5001 64.4215 37.1234 178.3886 39 L 4.1677 8.0731 119.4886 57.8854 41.5197 179.5377 40 A 4.1960 8.7842 120.7320 55.3305 18.2253 179.3157 41 R 3.8714 8.5661 116.5098 59.9431 30.2053 177.9386 42 E 4.1375 8.7793 115.6163 56.1726 30.3386 176.3356 43 G 3.6801 8.3769 106.9606 46.8056 0.0000 174.3176 44 F 4.7705 8.3499 116.6293 57.3692 40.8297 176.7925 45 I 4.5967 7.4318 112.6166 59.0055 39.9566 174.9805 46 K 3.8677 8.4931 125.4247 58.2542 32.0145 177.5490 47 G 4.2821 7.7408 104.0790 47.3677 0.0000 170.4762 48 Y 5.7644 8.5141 117.0073 56.3967 40.9879 173.8961 49 E 4.6693 9.4039 117.6351 54.8801 33.4633 174.5991 50 R 4.6963 8.6569 121.3778 56.6009 31.0935 176.1899 51 V 4.5709 8.5239 121.7915 61.7743 35.8099 172.8516 52 D 5.3183 8.8102 126.7691 53.4476 43.0318 175.6270 53 V 4.0869 9.2314 122.6855 62.1830 33.8528 174.9153 54 D 4.4198 9.9399 125.2033 55.2385 39.5876 173.6291 55 G 3.9813 8.5773 101.7581 45.1972 0.0000 173.9083 56 K 4.6548 8.4030 118.9044 53.1139 35.4203 173.7702 57 P 4.9628 0.0000 0.0000 63.0294 32.4608 174.7696 58 Y 5.2446 9.1401 122.5002 55.8800 42.2873 174.3570 59 L 4.9156 8.8767 119.0536 53.1885 45.1410 176.6206 60 R 4.2435 9.0697 126.4507 56.1213 31.0787 175.3372 61 V 4.3660 8.7158 128.5882 61.9624 33.1833 174.3216 62 Y 4.5182 9.2602 127.0307 56.7446 38.7272 175.5709 63 L 4.3967 8.4374 124.9237 54.5370 42.7407 176.7160 64 K 4.6609 7.8603 120.6809 55.1903 35.7472 174.4997 65 Y 4.8974 8.4708 122.3104 56.5237 43.1159 174.5764 66 G 4.2933 8.7650 109.8132 44.8883 0.0000 171.4771 67 P 4.7884 0.0000 0.0000 61.2464 33.6949 175.5367 68 R 4.0186 8.5490 120.9775 57.4211 30.7547 175.3299 69 R 4.7936 8.1811 122.1758 54.5501 33.6517 175.0474 70 Q 4.3082 8.6492 119.2004 55.1252 30.6563 176.7254 71 G 3.8522 8.3316 106.6760 45.3541 0.0000 171.5778 72 P 4.3387 0.0000 0.0000 63.3045 32.6032 174.8562 73 D 4.2736 8.4762 118.4852 54.8379 38.6625 171.9828 74 P 4.6961 0.0000 0.0000 62.7959 31.8150 176.9455 75 R 4.0591 7.5607 118.4319 55.7807 30.2873 175.0426 76 P 4.7426 0.0000 0.0000 62.1154 32.4803 175.4115 77 E 4.4826 8.7115 121.5409 55.8715 31.1699 175.7495 78 Q 4.8103 8.4955 123.0349 55.4096 30.0791 176.4053 79 V 3.9814 8.3296 120.1252 65.2723 32.1103 176.9634 80 I 4.3616 7.2913 121.3872 59.9460 35.7024 174.8888 81 H 4.1601 8.7761 120.9284 58.4607 29.1165 174.8878 82 H 4.2342 8.6639 116.6835 54.0075 31.7351 171.7953 83 I 4.5091 6.1407 126.0798 60.9859 38.8111 172.0614 84 R 4.6259 7.4201 127.8988 53.9577 33.7625 174.2411 85 R 3.8871 8.5481 123.7362 56.8811 30.4121 174.6468 86 I 4.2092 8.4326 122.1208 62.4706 38.5206 175.8912 87 S 4.2523 8.0209 120.9692 59.0179 63.4655 174.0200 88 K 4.6184 8.4891 123.8219 53.9011 36.2181 174.4176 89 P 4.0931 0.0000 0.0000 64.3851 31.8413 175.8649 90 G 3.4666 8.6488 110.8043 44.3795 0.0000 173.7030 91 R 4.3178 7.5657 122.7023 57.3313 28.6679 174.2442 92 R 4.1439 7.4879 118.5874 55.6439 31.4661 176.5988 93 V 4.1625 8.1353 121.0658 61.3527 34.0140 173.8671 94 Y 5.5721 8.4502 124.8324 56.5831 41.1783 175.5390 95 V 4.7153 9.1876 114.5376 59.8898 36.7861 175.4586 96 G 4.2702 9.8251 113.2850 44.1570 0.0000 175.2983 97 V 3.7318 8.3211 118.7868 64.6017 31.2186 178.3442 98 K 4.1635 8.0219 117.4382 57.8089 32.1289 177.0515 99 E 4.5774 8.1898 117.5857 55.7660 30.0669 176.1414 100 I 3.8971 7.3369 121.1541 60.5223 37.5958 174.3369 101 P 4.5639 0.0000 0.0000 62.6353 32.2411 176.8702 102 R 4.3060 8.0095 119.9574 53.8262 29.0585 174.0943 103 V 3.3960 7.9831 119.4450 63.9857 32.3529 176.3286 104 R 3.3228 8.7767 128.1142 58.5536 27.0991 176.4222 105 R 3.7662 9.1589 109.7324 57.1137 29.0680 176.0661 106 G 4.0881 8.3222 104.9995 45.0978 0.0000 175.4898 107 L 4.1400 8.3170 118.8101 56.3476 41.9584 176.3482 108 G 4.8558 7.6474 106.4207 44.8501 0.0000 171.7200 109 I 5.2276 8.8778 112.0738 59.9392 41.9421 173.5167 110 A 5.1514 8.6665 122.1262 50.3837 23.0114 175.1513 111 I 4.6944 8.4719 121.5826 59.8459 39.6363 175.3215 112 L 5.0460 8.6966 127.3997 53.2860 44.9999 175.7137 113 S 5.0852 9.1138 115.5976 57.0486 64.7432 173.1370 114 T 5.0607 8.3224 117.4175 59.5141 71.8528 175.1351 115 S 4.3101 8.6897 114.2888 59.3200 63.1567 174.7008 116 K 4.2261 7.5934 119.9111 55.9727 32.7136 176.0006 117 G 3.7959 8.2034 106.3954 43.7464 0.0000 173.0003 118 V 4.0344 8.1507 118.6683 63.3401 31.8802 174.9572 119 L 5.3010 8.8740 127.4306 52.9877 46.2991 176.2276 120 T 4.8296 8.9139 111.4824 60.7804 70.4262 175.6937 121 D 4.4045 8.8696 121.9958 56.2763 39.0028 178.8428 122 R 4.1698 7.9019 119.2324 58.6866 30.4217 178.1834 123 E 3.9318 8.2316 118.1464 59.4624 29.5587 178.9339 124 A 3.9986 8.2005 120.7115 55.6127 18.3992 179.7311 125 R 3.8928 7.7130 115.4594 59.2077 29.9164 178.4602 126 K 3.9449 8.0437 118.9014 59.6386 32.3018 178.2343 127 L 4.3721 8.1162 115.9087 53.5644 42.6117 177.6304 128 G 4.0512 7.8713 106.7545 46.2136 0.0000 172.9860 129 V 4.5152 8.4065 109.5210 60.0277 36.5692 175.0572 130 G 4.3840 8.7497 109.5732 45.2894 0.0000 172.9860 131 G 4.0095 7.3730 105.2888 46.3120 0.0000 171.3439 132 E 4.8927 8.1081 124.0166 55.9066 31.2181 176.8952 133 L 4.4489 9.0164 130.3219 54.6689 42.0434 177.3077 134 I 3.9012 8.8949 127.7604 63.8911 38.1135 176.0589 135 C 4.9440 7.5358 113.8215 57.5333 32.9104 171.1505 136 E 5.1245 8.6569 117.7135 55.0084 33.2052 175.1687 137 V 4.5270 8.7313 124.8995 61.2574 35.6269 174.5082 138 W 4.9271 7.9600 123.5757 57.1023 27.7277 174.2003 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 8.30 4.41 0.00 1.99 2.04 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 2.47 2.56 0.00 2 L 8.38 4.00 0.00 1.73 1.56 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.51 4.13 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 1.19 0.00 0.00 4 D 7.56 4.50 0.00 2.76 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.22 0.00 2.14 2.04 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 I 7.75 3.48 1.88 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.70 0.00 0.00 7 A 7.83 3.88 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 8 D 8.01 4.23 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.20 3.88 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 10 L 7.97 3.84 0.00 1.72 1.60 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.94 3.87 4.38 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 1.15 0.00 0.00 12 R 8.27 3.84 0.00 1.87 1.96 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 13 I 7.81 3.62 1.95 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 1.34 0.66 0.82 0.00 0.00 14 R 7.64 3.74 0.00 1.81 1.99 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 15 N 8.85 4.30 0.00 2.83 2.78 0.00 0.00 6.93 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 16 A 8.40 3.98 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 17 T 7.94 4.01 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 1.11 0.00 0.00 18 R 7.87 3.70 0.00 1.87 1.94 0.00 3.02 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 19 V 7.27 4.22 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 0.72 0.00 0.00 0.96 0.00 0.00 20 Y 7.48 3.70 0.00 2.98 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 21 K 8.09 4.19 0.00 1.81 1.90 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.54 7.81 22 E 8.89 4.31 0.00 2.09 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 2.57 2.44 0.00 23 S 7.50 5.04 0.00 3.45 3.61 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 24 T 8.28 4.46 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 1.16 0.00 0.00 25 D 8.66 5.37 0.00 2.52 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.26 4.64 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 0.69 0.00 0.00 0.86 0.00 0.00 27 P 0.00 3.59 0.00 1.75 1.66 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 28 A 8.28 4.33 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 29 S 8.45 4.55 0.00 3.99 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 9.06 3.92 0.00 1.89 2.10 0.00 3.34 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 31 F 8.35 4.51 0.00 3.03 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 32 K 8.41 3.61 0.00 1.80 1.67 0.00 1.71 0.00 0.00 1.45 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.27 7.81 33 E 8.40 3.51 0.00 2.14 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 2.28 2.15 0.00 34 E 8.39 4.01 0.00 2.45 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 2.60 2.61 0.00 35 I 7.54 3.80 1.83 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.81 0.00 0.00 36 L 7.85 3.85 0.00 1.09 1.17 0.34 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.95 4.12 0.00 2.19 2.09 0.00 3.21 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 38 I 7.46 3.71 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.56 1.00 0.00 0.00 39 L 8.07 4.17 0.00 1.88 1.82 0.98 0.60 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 40 A 8.78 4.20 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 41 R 8.57 3.87 0.00 1.89 2.24 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 42 E 8.78 4.14 0.00 2.11 1.82 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 2.56 2.62 0.00 43 G 8.38 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.35 4.77 0.00 3.24 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.43 4.60 2.12 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 1.39 0.73 0.95 0.00 0.00 46 K 8.49 3.87 0.00 1.91 1.97 0.00 2.03 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.49 7.81 47 G 7.74 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 0.00 0.00 0.00 0.00 48 Y 8.51 5.76 0.00 3.07 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 49 E 9.40 4.67 0.00 2.04 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 2.66 2.47 0.00 50 R 8.66 4.70 0.00 1.79 1.99 0.00 3.28 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 51 V 8.52 4.57 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.08 0.00 0.00 52 D 8.81 5.32 0.00 2.69 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 53 V 9.23 4.09 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 0.56 0.00 0.00 0.69 0.00 0.00 54 D 9.94 4.42 0.00 2.76 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 55 G 8.58 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.40 4.65 0.00 2.19 1.88 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.41 7.81 57 P 0.00 4.96 0.00 2.09 2.22 0.00 3.80 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 1.98 1.82 0.00 58 Y 9.14 5.24 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.88 4.92 0.00 1.53 1.61 0.77 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.07 4.24 0.00 1.86 1.77 0.00 3.10 0.00 0.00 2.99 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.35 0.00 61 V 8.72 4.37 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 0.90 0.00 0.00 0.98 0.00 0.00 62 Y 9.26 4.52 0.00 3.10 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 63 L 8.44 4.40 0.00 1.73 1.21 0.85 0.92 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 64 K 7.86 4.66 0.00 1.75 1.55 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.47 7.81 65 Y 8.47 4.90 0.00 3.03 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 66 G 8.77 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.79 0.00 2.13 2.20 0.00 3.77 0.00 0.00 3.74 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 68 R 8.55 4.02 0.00 1.79 1.86 0.00 3.12 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 69 R 8.18 4.79 0.00 1.70 1.84 0.00 3.23 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 70 Q 8.65 4.31 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.07 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 71 G 8.33 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 0.00 0.00 0.00 72 P 0.00 4.34 0.00 2.19 2.06 0.00 3.92 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 73 D 8.48 4.27 0.00 2.90 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 74 P 0.00 4.70 0.00 2.20 2.21 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 75 R 7.56 4.06 0.00 1.80 1.77 0.00 3.50 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 76 P 0.00 4.74 0.00 2.00 2.11 0.00 2.54 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 77 E 8.71 4.48 0.00 2.13 1.89 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 2.42 2.36 0.00 78 Q 8.50 4.81 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 79 V 8.33 3.98 2.19 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 0.94 0.00 0.00 1.03 0.00 0.00 80 I 7.29 4.36 1.77 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 1.26 0.89 0.71 0.00 0.00 81 H 8.78 4.16 0.00 3.20 3.41 0.00 5.85 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.66 4.23 0.00 1.40 1.65 0.00 6.03 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 6.14 4.51 1.56 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 1.09 0.92 0.68 0.00 0.00 84 R 7.42 4.63 0.00 1.69 1.66 0.00 3.23 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 85 R 8.55 3.89 0.00 1.68 1.80 0.00 3.35 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 86 I 8.43 4.21 2.06 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 1.12 0.72 0.90 0.00 0.00 87 S 8.02 4.25 0.00 3.92 3.75 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 88 K 8.49 4.62 0.00 1.70 1.61 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.55 7.81 89 P 0.00 4.09 0.00 2.17 2.08 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 90 G 8.65 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 0.00 0.00 0.00 91 R 7.57 4.32 0.00 1.85 2.14 0.00 3.29 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 92 R 7.49 4.14 0.00 1.64 1.15 0.00 3.39 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 93 V 8.14 4.16 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 1.03 0.00 0.00 0.89 0.00 0.00 94 Y 8.45 5.57 0.00 2.91 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 95 V 9.19 4.72 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.04 0.00 0.00 96 G 9.83 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 97 V 8.32 3.73 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 1.00 0.00 0.00 98 K 8.02 4.16 0.00 1.78 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.46 7.81 99 E 8.19 4.58 0.00 2.09 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 2.26 2.26 0.00 100 I 7.34 3.90 1.89 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 1.38 0.78 0.94 0.00 0.00 101 P 0.00 4.56 0.00 2.20 2.06 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 102 R 8.01 4.31 0.00 1.80 1.91 0.00 3.23 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 103 V 7.98 3.40 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 1.21 0.00 0.00 1.09 0.00 0.00 104 R 8.78 3.32 0.00 1.77 1.71 0.00 3.05 0.00 0.00 2.67 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 105 R 9.16 3.77 0.00 1.76 1.87 0.00 3.19 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 106 G 8.32 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 0.00 0.00 0.00 107 L 8.32 4.14 0.00 1.60 1.74 0.87 0.81 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 0.00 108 G 7.65 4.86 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 0.00 0.00 0.00 109 I 8.88 5.23 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 1.14 0.00 0.00 110 A 8.67 5.15 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.47 4.69 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 1.28 1.04 0.96 0.00 0.00 112 L 8.70 5.05 0.00 1.66 1.77 0.96 0.42 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 0.00 113 S 9.11 5.09 0.00 3.98 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.32 5.06 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 1.26 0.00 0.00 115 S 8.69 4.31 0.00 3.97 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 0.00 116 K 7.59 4.23 0.00 1.71 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.51 7.81 117 G 8.20 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.15 4.03 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 0.98 0.00 0.00 1.11 0.00 0.00 119 L 8.87 5.30 0.00 1.64 1.63 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.91 4.83 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 1.39 0.00 0.00 121 D 8.87 4.40 0.00 2.94 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.90 4.17 0.00 1.90 2.02 0.00 3.15 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 123 E 8.23 3.93 0.00 2.11 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 2.36 2.36 0.00 124 A 8.20 4.00 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 0.00 0.00 0.00 0.00 0.00 125 R 7.71 3.89 0.00 2.19 2.08 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 126 K 8.04 3.94 0.00 1.92 2.08 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 127 L 8.12 4.37 0.00 1.64 1.68 0.93 0.94 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 0.00 128 G 7.87 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.41 4.52 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 0.74 0.00 0.00 0.94 0.00 0.00 130 G 8.75 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.37 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.11 4.89 0.00 2.47 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 2.38 2.43 0.00 133 L 9.02 4.45 0.00 1.79 1.58 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.89 3.90 2.16 0.00 0.00 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 1.45 1.05 0.88 0.00 0.00 135 C 7.54 4.94 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.66 5.12 0.00 2.08 1.81 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 2.44 2.37 0.00 137 V 8.73 4.53 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.71 0.00 0.00 138 W 7.96 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