NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5003 8.3044 118.2037 55.4289 32.6334 174.5634 2 T 4.1330 8.5060 114.7783 60.4648 70.6241 171.6240 3 H 4.1097 8.8227 128.1553 55.5734 27.3229 172.8148 4 D 4.1632 7.5816 123.3677 55.7553 42.1189 180.9779 5 N 4.3407 8.0168 116.6629 52.1376 37.6995 174.2118 6 K 4.6315 8.1140 112.7712 56.5765 33.7763 177.0275 7 L 4.2761 8.3635 121.1261 55.5043 41.5575 177.7340 *8 Q 5.4171 6.7400 124.0746 54.7988 31.2950 178.4572 9 V 4.6916 7.8529 124.2722 61.7572 32.8404 173.9914 10 E 4.7219 7.6624 121.1481 54.5319 33.2516 176.8485 11 A 3.9376 7.5143 119.9033 51.6456 16.6936 177.0005 12 I 4.2595 8.3735 114.6728 60.0815 39.4279 175.2545 13 K 3.8882 8.1645 120.6315 55.5012 34.1074 171.8249 14 R 4.5962 8.0570 131.2957 54.3754 31.2693 176.0971 15 G 3.0426 7.2417 111.7880 45.3182 0.0000 170.0706 16 T 4.9488 7.7231 116.5882 61.6370 71.5527 173.9541 17 V 4.5635 8.5499 125.0017 61.2361 34.6696 174.1127 18 I 4.7263 8.5719 129.5237 59.9793 38.7540 174.4541 19 D 5.0492 8.7761 126.5156 52.5229 44.8887 174.5951 20 H 4.2651 8.3510 114.4226 56.8998 25.9765 175.0339 21 I 4.3247 7.2314 118.7552 59.7498 38.3056 174.7062 22 P 4.5791 0.0000 0.0000 62.3094 31.8944 175.6380 23 A 4.1762 8.3572 123.1572 53.8447 18.6895 178.3275 24 Q 3.7183 8.8188 118.2568 56.8826 27.0931 175.2081 25 I 4.2357 7.6621 119.1695 63.1010 37.3345 177.9508 26 G 3.8148 8.0781 106.8276 48.1179 0.0000 175.4241 27 F 4.1057 8.2804 123.1604 60.4410 39.4651 176.7885 28 K 3.7554 8.2784 117.7640 59.7518 31.8744 178.8396 29 L 4.1080 8.0275 118.8087 57.8277 41.4204 179.6196 30 L 3.9146 7.8224 119.0511 57.7269 41.6429 179.7556 31 S 3.7982 7.6884 114.1186 61.3226 62.8706 176.0154 32 L 3.5816 7.8403 124.6076 56.7940 41.7409 177.9658 33 F 4.6842 7.8381 114.6148 56.8603 39.0225 175.8347 34 K 3.8296 7.6870 117.8295 57.5220 29.9196 176.4696 35 L 4.1934 7.6880 117.9724 56.6054 41.9470 178.4736 36 T 4.3170 7.3498 107.1282 61.8194 69.9238 175.4726 37 E 4.3887 7.7482 124.0734 54.5687 28.0367 174.2642 38 T 4.5610 7.1788 113.3485 61.1884 70.8625 172.4274 39 D 4.7213 8.4023 122.3515 54.1326 42.0532 176.4413 40 Q 4.2981 7.4803 116.9213 55.9343 29.7685 175.7144 41 R 4.1902 8.3436 119.2707 56.3814 31.2625 175.6118 42 I 5.0432 8.3585 123.8673 59.7793 40.1036 174.9959 43 T 4.7311 9.0207 122.5604 61.8129 71.7515 173.1121 44 I 4.9743 8.5104 125.6121 59.3837 41.1619 174.8463 45 G 4.2247 9.0813 113.0929 44.3597 0.0000 171.7639 46 L 5.1852 8.3437 124.1554 53.3827 44.7005 176.3336 47 N 4.1604 9.1163 120.0441 54.3400 36.1287 173.3184 48 L 4.8558 8.3745 120.2217 52.3017 45.2677 175.5252 49 P 4.9583 0.0000 0.0000 63.1068 32.1473 175.1233 50 S 4.4810 9.3313 116.5329 57.2376 67.0975 173.6909 51 G 3.9545 8.7123 108.8359 45.6859 0.0000 172.4303 52 E 4.0464 8.7101 122.9489 57.1353 28.5121 175.9382 53 M 4.5713 8.5795 121.2116 54.1385 34.5856 175.6316 54 G 4.2940 8.2203 114.1685 44.2360 0.0000 172.1718 55 R 5.2492 7.4476 118.9306 53.6686 33.1341 173.9400 56 K 4.9201 9.1181 124.5855 55.5592 36.9768 174.2278 57 D 5.4156 8.8348 118.1537 52.9298 45.2595 174.9454 58 L 4.9244 8.6084 120.5054 54.1272 46.3392 174.2766 59 I 4.9758 8.6130 124.6854 59.4869 41.3778 174.3434 60 K 4.9902 9.6585 126.3728 54.6262 35.3593 175.1522 61 I 4.6981 8.6201 126.4733 59.3440 39.8285 175.3331 62 E 4.4083 8.8809 127.2169 56.8629 30.4576 178.3729 63 N 4.1112 8.7858 116.9719 54.4153 38.0882 174.7231 64 T 4.3203 7.4271 114.7946 61.9720 69.7308 174.4155 65 F 4.5082 8.8330 123.3948 54.4303 40.8270 174.1920 66 L 4.6668 8.2414 126.2131 54.3693 42.0487 176.0365 67 S 4.3696 9.1388 116.9108 58.1859 66.7705 172.5901 68 E 3.9249 8.0988 121.2471 56.8972 29.4710 175.2550 69 D 4.5328 7.5460 117.8779 55.2372 40.2543 178.8293 70 Q 3.9174 7.9032 119.3575 58.9567 29.0014 178.3514 71 V 3.6451 7.7040 118.7346 66.0714 31.5718 177.5982 72 D 4.5405 7.8008 118.5194 56.8409 40.4756 177.9793 73 Q 4.2243 7.6828 118.6892 57.8759 29.3156 177.0397 74 L 4.2277 7.6849 118.7226 56.1368 41.7126 178.3381 75 A 4.0546 7.8347 121.9228 54.7133 18.5287 178.9053 76 L 4.0478 7.8924 114.7486 56.9245 42.0267 177.3703 77 Y 4.5255 7.9020 114.4255 59.1435 39.7477 176.2328 78 A 4.8066 8.2404 121.9815 50.4588 19.4464 174.9666 79 P 4.3743 0.0000 0.0000 64.1314 32.3745 178.1929 80 Q 4.5151 7.9293 116.7547 55.5161 29.1421 175.1809 81 A 4.8586 7.3661 120.4240 51.1433 20.1374 177.7627 82 T 4.7344 9.0290 114.9908 61.9893 73.0163 174.0463 83 V 4.6239 8.9367 126.0247 61.1817 33.1933 173.8266 84 N 5.1005 9.1458 125.6323 52.5400 40.2706 174.1065 85 R 5.1689 9.3066 123.1017 54.6599 33.0269 174.2918 86 I 5.0450 8.9796 126.8735 59.7408 40.8278 174.1908 87 D 4.7637 9.1904 125.0498 53.4153 44.8419 174.5794 88 N 3.8629 9.3283 124.1578 55.5139 37.1469 173.2035 89 Y 3.7701 7.3261 109.8727 58.6677 36.7307 170.3581 90 E 4.7688 8.0737 119.7704 54.3703 32.4702 176.5129 91 V 4.3962 8.1036 123.3326 62.9719 29.2774 176.1505 92 V 3.9686 8.3278 120.5052 61.6872 32.3913 176.9216 93 G 4.0446 7.4611 104.7124 45.6800 0.0000 172.8258 94 K 5.2764 8.9706 124.4104 54.5975 35.0142 175.4798 95 S 4.8867 8.8036 118.3582 56.6457 67.1034 172.8194 96 R 5.1166 8.2821 117.4493 53.4465 33.7216 174.1133 97 P 4.2914 0.0000 0.0000 62.8840 31.8115 176.5885 98 S 4.6817 8.5666 119.5783 56.4714 64.6311 173.7993 99 L 4.0719 8.2269 124.9538 54.2907 42.1583 175.2744 100 P 4.5852 0.0000 0.0000 62.4615 31.9111 175.8539 101 E 4.3871 8.5756 115.8864 57.4514 30.8490 175.7054 102 R 4.9105 7.6284 119.4580 55.4230 33.5153 173.8944 103 I 4.6964 8.5256 125.1828 59.8967 40.4949 174.3258 104 D 5.2747 9.0021 126.3850 53.5751 43.4901 178.1860 105 N 4.3678 9.1921 119.7160 54.7340 38.4636 176.1342 106 V 3.7548 7.9942 115.9106 63.6059 31.9402 175.4872 107 L 4.6515 7.7490 118.1970 53.0305 43.8662 175.4413 108 V 4.4085 7.7441 118.7255 60.8089 33.5610 174.5647 109 C 4.5808 8.9336 127.7744 59.0099 31.6149 172.1443 110 P 3.9008 0.0000 0.0000 64.1226 31.3190 175.7059 111 N 4.6575 7.5879 119.4525 52.7536 38.6592 175.5136 112 S 4.0615 8.8428 123.0971 61.2775 63.0126 174.9155 113 N 4.7146 8.4302 116.2211 53.2154 39.0233 174.5328 114 C 4.3168 7.9303 117.6044 60.2801 32.2021 173.1989 115 I 4.0014 8.1495 124.1777 62.5174 38.0999 177.8762 116 S 3.7655 7.7655 113.8555 61.2821 63.0666 175.5189 117 H 4.2168 8.0895 118.1712 59.0156 28.4923 176.8321 118 A 4.3498 7.5145 118.4132 53.0047 18.3327 176.6219 119 E 4.7729 7.8038 115.4592 53.9785 33.7964 175.4457 120 P 4.7308 0.0000 0.0000 62.4826 30.4629 176.9565 121 V 4.5422 8.2606 110.7910 59.5177 34.9141 175.6345 122 S 4.9823 8.3313 116.7832 56.5743 65.5223 173.8450 123 S 4.6202 8.5128 115.1422 58.8963 64.7329 172.8626 124 S 5.1432 8.1444 114.0781 57.3681 65.4593 172.7403 125 F 5.2228 8.9714 124.4776 55.5564 42.8083 173.9170 126 A 4.4959 9.1203 125.6756 51.4860 19.8907 176.4820 127 V 4.7299 7.9758 121.8262 61.9250 33.1833 175.2902 128 R 4.5339 8.9368 122.1522 55.5062 33.4256 171.7359 129 K 3.9533 8.8916 126.0411 55.8105 30.1911 175.1028 130 R 3.8905 8.3825 125.2309 57.0996 30.4954 176.4498 131 A 3.7134 8.7974 124.3092 54.5150 17.9550 178.2265 132 N 4.2742 7.8372 108.2458 53.4491 37.6787 174.6433 133 D 4.5578 7.7567 119.4189 55.4481 38.7864 173.8069 134 I 3.6282 6.4744 121.7101 56.0818 37.6475 173.8714 135 A 5.2911 8.9193 127.3982 50.0834 22.4960 174.8737 136 L 5.3364 8.7823 119.6196 52.9235 45.7489 175.6808 137 K 5.1244 9.0175 122.9015 54.4660 34.9052 175.3125 138 C 3.5597 8.8533 126.3501 58.9701 32.0773 174.0457 139 K 3.5715 8.2633 128.2108 60.0772 31.7573 177.6575 140 Y 4.1750 7.8837 116.2842 60.6392 38.2380 176.3355 141 C 4.3503 8.0731 112.0504 58.1109 30.5091 173.0485 142 E 4.1459 7.9059 117.9987 56.3891 26.9098 173.6234 143 K 4.3805 7.8608 118.5197 54.6523 34.6139 174.0108 144 E 4.9386 8.2503 127.9364 54.7265 31.1454 174.6473 145 F 5.0979 8.9604 124.3002 55.4923 44.0150 174.0923 146 S 4.7546 8.6986 114.6504 57.6921 63.3592 174.5843 147 H 4.1444 8.9847 123.2463 58.7080 28.3556 177.4508 148 N 4.1597 7.7750 116.9904 55.5066 37.3729 177.0460 149 V 3.6652 7.8942 120.7567 65.8545 31.4676 178.2829 150 V 3.4959 7.5970 116.2281 65.4658 31.3488 176.2291 151 L 4.3397 7.6302 116.4164 54.7789 41.3987 176.8332 152 A 4.4808 7.8456 123.2483 52.0620 20.6233 177.0480 153 N 3.8658 7.8510 117.2831 54.6171 39.3500 173.8841 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 4.50 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 2 T 8.51 4.13 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 1.29 0.00 0.00 3 H 8.82 4.11 0.00 3.29 3.17 0.00 5.62 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.58 4.16 0.00 2.63 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 5 N 8.02 4.34 0.00 3.12 3.09 0.00 0.00 5.50 6.42 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 6 K 8.11 4.63 0.00 1.90 2.02 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.42 7.81 7 L 8.36 4.28 0.00 1.68 1.75 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 6.74 5.42 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 9 V 7.85 4.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.94 0.00 0.00 10 E 7.66 4.72 0.00 2.10 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 2.23 2.32 0.00 11 A 7.51 3.94 1.47 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 12 I 8.37 4.26 1.84 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 1.46 0.64 0.91 0.00 0.00 13 K 8.16 3.89 0.00 1.05 0.74 0.00 1.31 0.00 0.00 1.16 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 1.22 7.81 14 R 8.06 4.60 0.00 2.03 1.93 0.00 3.53 0.00 0.00 3.48 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.09 0.00 15 G 7.24 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 0.00 0.00 0.00 16 T 7.72 4.95 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 17 V 8.55 4.56 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 1.05 0.00 0.00 0.91 0.00 0.00 18 I 8.57 4.73 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.61 0.89 0.00 0.00 19 D 8.78 5.05 0.00 2.71 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 20 H 8.35 4.27 0.00 3.43 3.53 0.00 5.68 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 21 I 7.23 4.32 1.97 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 0.73 0.98 0.00 0.00 22 P 0.00 4.58 0.00 2.22 2.03 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 23 A 8.36 4.18 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 24 Q 8.82 3.72 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 25 I 7.66 4.24 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.16 1.08 0.00 0.00 26 G 8.08 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.28 4.11 0.00 3.14 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 28 K 8.28 3.76 0.00 1.91 1.69 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.76 7.81 29 L 8.03 4.11 0.00 1.86 1.77 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.82 3.91 0.00 1.50 1.48 0.89 0.67 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 31 S 7.69 3.80 0.00 3.79 3.60 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 32 L 7.84 3.58 0.00 1.37 0.77 0.70 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.84 4.68 0.00 3.16 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 34 K 7.69 3.83 0.00 1.89 1.79 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.51 7.81 35 L 7.69 4.19 0.00 1.57 1.70 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.35 4.32 4.22 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 1.18 0.00 0.00 37 E 7.75 4.39 0.00 1.96 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 2.23 2.41 0.00 38 T 7.18 4.56 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 39 D 8.40 4.72 0.00 2.63 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 40 Q 7.48 4.30 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 41 R 8.34 4.19 0.00 1.87 1.84 0.00 3.07 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 42 I 8.36 5.04 1.86 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 1.31 0.75 0.91 0.00 0.00 43 T 9.02 4.73 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 1.22 0.00 0.00 44 I 8.51 4.97 1.90 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 1.29 0.61 0.98 0.00 0.00 45 G 9.08 4.22 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 0.00 46 L 8.34 5.19 0.00 1.49 1.55 0.98 1.12 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 47 N 9.12 4.16 0.00 2.81 2.85 0.00 0.00 6.93 7.74 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 48 L 8.37 4.86 0.00 1.55 1.56 0.92 1.01 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 49 P 0.00 4.96 0.00 2.08 2.04 0.00 3.89 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 2.15 1.96 0.00 50 S 9.33 4.48 0.00 3.86 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 51 G 8.71 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 52 E 8.71 4.05 0.00 1.97 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 2.25 0.00 53 M 8.58 4.57 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 54 G 8.22 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 55 R 7.45 5.25 0.00 1.79 1.79 0.00 3.19 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 56 K 9.12 4.92 0.00 1.96 1.91 0.00 1.34 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.39 7.81 57 D 8.83 5.42 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.61 4.92 0.00 1.68 1.43 0.94 0.83 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 59 I 8.61 4.98 1.86 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 0.74 0.89 0.00 0.00 60 K 9.66 4.99 0.00 1.71 1.65 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.36 7.81 61 I 8.62 4.70 1.76 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 1.18 0.79 0.84 0.00 0.00 62 E 8.88 4.41 0.00 1.89 1.79 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 2.26 2.23 0.00 63 N 8.79 4.11 0.00 2.77 2.91 0.00 0.00 6.91 7.30 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 64 T 7.43 4.32 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 65 F 8.83 4.51 0.00 3.00 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 66 L 8.24 4.67 0.00 1.89 1.65 0.86 0.56 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 67 S 9.14 4.37 0.00 3.94 3.79 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 68 E 8.10 3.92 0.00 2.20 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 2.28 2.34 0.00 69 D 7.55 4.53 0.00 3.00 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 70 Q 7.90 3.92 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 71 V 7.70 3.65 2.21 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 1.05 0.00 0.00 0.91 0.00 0.00 72 D 7.80 4.54 0.00 2.92 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 73 Q 7.68 4.22 0.00 2.26 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.69 2.75 0.00 74 L 7.68 4.23 0.00 1.75 1.64 0.83 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.83 4.05 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 76 L 7.89 4.05 0.00 0.69 1.34 0.82 0.76 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 77 Y 7.90 4.53 0.00 3.08 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 78 A 8.24 4.81 1.29 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 79 P 0.00 4.37 0.00 2.19 2.41 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 80 Q 7.93 4.52 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 81 A 7.37 4.86 1.32 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 0.00 0.00 82 T 9.03 4.73 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 1.30 0.00 0.00 83 V 8.94 4.62 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 0.98 0.00 0.00 0.91 0.00 0.00 84 N 9.15 5.10 0.00 2.69 2.73 0.00 0.00 6.24 8.51 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 85 R 9.31 5.17 0.00 1.94 1.99 0.00 3.07 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.96 0.00 86 I 8.98 5.05 2.05 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 1.15 0.62 0.91 0.00 0.00 87 D 9.19 4.76 0.00 2.79 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 88 N 9.33 3.86 0.00 2.82 2.81 0.00 0.00 7.20 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 89 Y 7.33 3.77 0.00 3.21 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 90 E 8.07 4.77 0.00 2.10 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 2.28 2.38 0.00 91 V 8.10 4.40 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 1.04 0.00 0.00 0.96 0.00 0.00 92 V 8.33 3.97 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 0.70 0.00 0.00 0.92 0.00 0.00 93 G 7.46 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 94 K 8.97 5.28 0.00 1.62 1.72 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.41 7.81 95 S 8.80 4.89 0.00 3.84 3.93 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 96 R 8.28 5.12 0.00 1.67 1.83 0.00 3.21 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 97 P 0.00 4.29 0.00 2.04 2.15 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 98 S 8.57 4.68 0.00 3.86 3.78 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 99 L 8.23 4.07 0.00 1.57 1.58 0.89 0.93 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 0.00 100 P 0.00 4.59 0.00 2.44 2.06 0.00 3.82 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 101 E 8.58 4.39 0.00 2.08 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 2.35 2.32 0.00 102 R 7.63 4.91 0.00 1.83 1.82 0.00 3.17 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 103 I 8.53 4.70 2.02 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 1.34 1.40 1.08 0.00 0.00 104 D 9.00 5.27 0.00 2.73 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 0.00 105 N 9.19 4.37 0.00 2.86 2.98 0.00 0.00 6.87 7.51 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 0.00 106 V 7.99 3.75 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 0.70 0.00 0.00 0.42 0.00 0.00 107 L 7.75 4.65 0.00 1.63 1.20 0.82 0.71 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 0.00 108 V 7.74 4.41 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 0.87 0.00 0.00 0.94 0.00 0.00 109 C 8.93 4.58 0.00 3.22 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 0.00 110 P 0.00 3.90 0.00 1.76 1.81 0.00 3.41 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.89 0.00 111 N 7.59 4.66 0.00 3.24 3.02 0.00 0.00 7.05 7.51 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 0.00 112 S 8.84 4.06 0.00 3.91 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 0.00 113 N 8.43 4.71 0.00 2.69 2.86 0.00 0.00 7.14 7.16 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 0.00 114 C 7.93 4.32 0.00 3.09 2.90 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 0.00 115 I 8.15 4.00 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 1.40 0.97 0.75 0.00 0.00 116 S 7.77 3.77 0.00 3.87 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 0.00 117 H 8.09 4.22 0.00 3.21 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.51 4.35 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.80 4.77 0.00 1.79 1.71 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 2.15 2.30 0.00 120 P 0.00 4.73 0.00 2.02 2.07 0.00 3.58 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 2.01 2.10 0.00 121 V 8.26 4.54 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 0.70 0.00 0.00 0.54 0.00 0.00 122 S 8.33 4.98 0.00 3.98 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 0.00 123 S 8.51 4.62 0.00 4.24 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 0.00 124 S 8.14 5.14 0.00 3.87 3.54 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 0.00 125 F 8.97 5.22 0.00 3.07 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 0.00 126 A 9.12 4.50 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.98 4.73 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 0.81 0.00 0.00 0.99 0.00 0.00 128 R 8.94 4.53 0.00 1.86 1.96 0.00 2.97 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 129 K 8.89 3.95 0.00 1.90 1.88 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 130 R 8.38 3.89 0.00 1.80 1.80 0.00 3.59 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 131 A 8.80 3.71 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 0.00 132 N 7.84 4.27 0.00 2.83 2.94 0.00 0.00 6.34 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 0.00 133 D 7.76 4.56 0.00 2.96 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 6.47 3.63 1.62 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.56 0.92 0.00 0.00 135 A 8.92 5.29 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 0.00 136 L 8.78 5.34 0.00 1.70 1.73 0.78 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 137 K 9.02 5.12 0.00 1.71 1.69 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.52 7.81 138 C 8.85 3.56 0.00 3.14 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 0.00 139 K 8.26 3.57 0.00 1.58 1.39 0.00 1.57 0.00 0.00 0.99 0.00 0.00 2.51 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.73 1.11 7.81 140 Y 7.88 4.18 0.00 2.96 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 0.00 141 C 8.07 4.35 0.00 3.15 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 0.00 142 E 7.91 4.15 0.00 2.10 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 2.17 2.35 0.00 143 K 7.86 4.38 0.00 1.88 1.35 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.13 7.81 144 E 8.25 4.94 0.00 1.91 1.69 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 2.18 2.44 0.00 145 F 8.96 5.10 0.00 2.99 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 0.00 146 S 8.70 4.75 0.00 3.91 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 0.00 147 H 8.98 4.14 0.00 3.29 3.62 0.00 5.32 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.77 4.16 0.00 2.81 2.84 0.00 0.00 5.96 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 7.89 3.67 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 0.92 0.00 0.00 0.95 0.00 0.00 150 V 7.60 3.50 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 0.53 0.00 0.00 0.71 0.00 0.00 151 L 7.63 4.34 0.00 1.76 1.62 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.85 4.48 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 0.00 153 N 7.85 3.87 0.00 2.67 2.65 0.00 0.00 6.80 7.56 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 * Residues marked with a * may have inaccurate shift predictions.