NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6891 8.4201 119.2044 53.5183 41.6965 175.8029 0 A 4.0186 8.1135 127.0748 51.9266 17.9622 177.1961 2 K 3.9513 9.1645 115.0187 57.5915 32.0053 173.3315 3 K 4.0722 8.3180 129.7487 57.6773 32.9689 177.3847 4 G 3.8783 8.9453 107.5150 44.4709 0.0000 172.7311 5 T 4.4044 8.1560 106.4120 60.9770 70.0987 174.3324 6 V 3.9810 7.6234 122.2602 61.9672 30.3405 174.6004 7 L 4.3166 8.1211 126.8517 56.0217 42.7654 178.1092 8 N 4.4493 7.9546 117.4725 53.4290 40.5315 175.6652 9 S 4.1565 8.6079 122.7203 61.6196 63.3067 176.6112 10 E 3.9830 8.3769 122.2679 59.1193 29.2129 179.3261 11 I 3.6991 7.9277 119.3872 64.4049 37.2374 178.4263 12 S 4.1055 8.0750 116.0184 61.6237 62.4533 176.7410 13 S 4.0696 7.8702 114.6802 61.4211 62.5052 176.3149 14 V 3.7789 8.0214 122.0419 64.8744 31.0824 178.4067 15 I 3.7600 8.0037 120.8288 63.9603 36.7343 178.1629 16 S 4.3246 7.9674 113.3639 60.1384 63.1026 175.5201 17 R 4.3596 7.5793 120.2567 55.3729 30.8173 176.4131 18 L 4.2734 7.2754 119.9443 54.4170 42.4253 176.3649 19 G 4.1724 9.1666 111.1883 43.0532 0.0000 171.7360 20 H 4.4699 8.5759 118.9445 57.9345 29.8644 175.4679 21 T 3.4896 8.8557 116.2232 61.6393 68.8353 171.9688 22 D 4.6673 7.8567 122.9199 54.8643 42.1567 175.4702 23 T 5.1296 8.4183 110.7236 59.8990 72.5668 172.4130 24 L 5.1404 8.7681 124.1255 53.4416 45.7749 174.9903 25 V 4.8368 8.6831 125.8755 61.2033 34.0827 174.2303 26 V 4.9413 8.7221 127.7357 61.3409 33.6688 174.1422 27 C 5.7678 9.2022 122.2280 56.4642 33.4216 172.9313 28 D 5.2345 9.3518 119.8541 52.0102 41.0444 177.2403 29 A 4.0787 8.9787 121.3765 54.2905 18.2768 178.5456 30 G 3.9669 7.8708 102.6503 44.9591 0.0000 173.6915 31 L 4.1697 7.5259 122.4366 53.8827 42.6660 174.8782 32 P 4.4715 0.0000 0.0000 62.5880 32.1344 175.5872 33 I 4.4458 7.9765 120.8051 58.7916 39.0258 174.1061 34 P 4.4544 0.0000 0.0000 62.4162 31.7623 176.9808 35 N 4.6069 8.5624 117.6420 54.1479 37.7430 175.8532 36 S 4.4268 7.9154 112.6829 59.3062 63.4984 173.4451 37 T 4.7699 7.3558 114.8443 60.1320 70.4932 173.2380 38 A 4.2210 8.2176 128.6765 51.9280 19.8758 176.3547 39 R 4.7652 8.5550 121.9314 54.7705 31.9939 175.3918 40 I 4.3620 8.7759 128.6109 59.8472 38.8705 174.4782 41 D 4.9486 8.5521 126.4418 52.7005 43.1600 175.4569 *43 A 4.0267 8.2954 123.7409 52.3006 19.0718 175.9751 44 L 4.1765 8.7479 124.8289 56.9756 42.9238 176.0123 45 T 4.3846 7.3357 109.9367 60.7453 70.1189 171.7644 46 Q 4.0212 8.6434 122.1853 57.7293 28.6834 177.8442 47 G 3.8709 9.4240 111.0045 45.5492 0.0000 173.0782 48 V 4.4377 8.0628 120.2596 60.2984 34.3388 173.2691 49 P 5.0912 0.0000 0.0000 62.0148 33.4568 175.7496 50 S 4.7093 9.1022 116.0443 57.2287 64.8239 175.0809 51 F 4.2349 8.9154 118.6421 59.8564 39.2771 176.6437 *53 Q 4.1887 8.1425 119.5830 55.7770 30.6375 177.8017 54 V 3.5139 7.5507 116.5701 65.8220 31.4863 178.1172 55 V 3.3558 7.5297 118.2139 65.9195 31.0361 177.3468 56 D 4.2010 7.7365 115.7062 57.3797 41.4675 177.9442 57 V 3.6954 7.7268 118.5234 65.9876 31.6178 177.9194 58 V 3.5856 7.9077 118.3828 66.2871 31.1678 177.5867 59 T 4.2013 7.8384 106.4309 63.3179 68.9066 176.3337 60 R 4.1067 7.7973 121.1263 58.1678 30.5072 176.6536 61 E 4.4776 7.8483 118.2757 55.8396 30.1693 176.4090 *63 Q 4.2269 7.8904 117.3488 55.9750 30.6374 175.0825 64 V 4.8642 8.8941 125.2186 61.2647 32.4133 175.1622 65 E 4.6730 9.3153 125.2036 56.8635 31.8533 175.2879 66 A 4.8224 7.6346 120.0329 50.9033 23.0068 174.7971 67 A 5.1648 9.3718 120.8485 50.2586 22.9496 175.2739 68 I 4.9828 8.9909 122.2210 59.5333 40.5693 174.8803 69 L 5.2688 8.6002 124.5288 52.5957 46.4860 175.8311 70 A 4.7123 8.0745 123.7769 52.0689 19.4109 179.0640 71 T 3.8524 8.8794 120.0676 66.8169 68.4857 176.7796 72 E 3.6589 7.8650 119.8438 59.1156 29.1923 178.9710 73 I 3.6563 7.6203 118.7901 63.6344 37.6874 178.0120 74 K 3.7492 7.4277 118.5849 59.6286 32.0138 178.8430 75 Q 4.1703 7.8384 115.6958 57.6429 29.0903 177.2076 76 Q 4.5463 7.7701 116.3992 55.6157 30.7815 175.4249 77 N 5.0382 8.2879 119.8346 50.5153 39.5175 173.6927 78 P 4.2994 0.0000 0.0000 66.1978 31.6879 177.8131 79 Q 3.9731 8.0438 117.2566 58.7699 28.7191 178.5254 80 L 3.9994 7.9791 120.7913 58.1319 42.2373 177.9310 81 H 4.2119 8.5439 118.7007 59.5873 29.7712 176.9586 82 E 3.9300 8.4652 120.2636 59.8225 29.3424 179.4284 83 T 3.9229 7.9479 115.7432 66.5714 68.4268 176.4450 84 L 4.0869 8.2142 122.1918 58.1621 42.1519 178.9783 85 L 4.0379 8.0279 118.9549 58.0764 41.5520 179.5606 86 T 3.8542 8.0218 115.6245 66.9617 68.3500 176.0781 87 H 4.3053 8.3467 119.9491 59.4264 29.9480 177.3640 88 L 3.9599 8.4259 121.1177 57.4722 41.2123 179.1466 89 E 3.9241 8.2877 119.7120 59.4058 29.5850 178.9457 90 Q 4.0353 8.0827 118.1653 58.5336 28.6506 178.2645 91 L 3.8338 8.0925 122.0944 58.1969 42.1506 179.0874 92 Q 4.1986 7.9681 118.8466 58.7944 28.1798 178.5526 93 Q 3.9508 7.5326 119.0878 59.2602 28.8753 178.3208 94 H 4.4513 7.7435 115.7551 58.8315 28.7794 177.6087 95 Q 4.2089 8.3141 119.4730 56.4980 28.5749 176.8297 96 G 3.8925 8.1844 107.5079 46.1471 0.0000 172.6432 97 N 4.9514 7.7455 117.2559 51.1281 40.1378 172.0167 98 T 4.7632 8.2566 112.1025 60.6611 69.3063 173.7636 99 I 4.2963 8.7904 131.3182 60.5241 37.9845 175.8670 100 K 4.2263 8.7315 129.7488 56.1687 33.3051 175.4325 101 I 5.0157 8.3671 128.0188 59.6000 39.4650 174.9231 102 S 4.7307 8.6261 120.0313 56.9053 67.0856 172.2354 103 Y 5.4179 8.5658 117.2985 56.5078 40.9911 175.0012 104 T 4.9748 8.8809 112.7184 59.5118 73.0836 173.5467 105 T 4.2387 8.4746 111.7129 61.8702 69.5289 174.7081 106 H 4.1992 8.8580 122.5597 59.4770 29.6742 177.5351 107 E 3.9626 8.2511 120.0552 59.6189 29.3691 179.0316 108 Q 4.0140 8.1501 119.2951 58.8130 29.1119 177.7263 109 F 4.0801 8.4819 122.0807 61.3761 39.2114 177.2012 110 K 4.0398 8.1443 116.6302 59.4993 32.2626 179.1112 111 K 4.1040 7.9046 118.4166 59.5313 31.8983 179.4213 112 L 3.9744 8.0204 119.4501 57.8063 41.5721 179.5544 113 T 3.6620 7.8387 109.4937 64.5497 68.2240 176.1225 114 A 4.0929 7.6337 122.1924 54.1241 18.4247 177.5479 115 D 4.6356 7.8198 115.7799 54.0667 41.5129 176.8761 116 S 5.0233 7.3194 113.8006 57.1727 63.8275 174.2968 117 Q 4.2756 8.9657 119.9823 58.7728 29.6639 176.0981 118 A 4.8761 7.5282 115.1729 50.9790 23.4740 175.4527 119 V 4.6596 8.6777 120.4173 61.2405 34.0905 174.6477 120 I 4.6761 9.1750 130.2263 60.0991 38.4408 174.8023 121 R 4.6665 8.9180 129.8099 55.4016 30.7055 176.3120 122 S 4.6233 8.9174 122.2238 56.9389 65.6234 173.9994 123 G 4.0436 8.8003 104.9741 46.1827 0.0000 173.3209 124 E 4.4228 8.3346 123.1203 56.8386 30.2115 176.9836 125 C 4.7906 8.7385 122.6944 59.5554 29.8231 174.3358 126 S 4.3260 7.6361 113.4746 57.0629 63.4145 172.1774 127 P 4.0923 0.0000 0.0000 63.5952 31.6252 175.8549 128 Y 3.4097 7.6440 117.4946 59.1567 35.6747 171.4078 129 A 3.9384 7.4580 121.2482 50.5803 16.2968 177.1250 130 N 5.5996 7.5458 116.6114 50.9043 43.3850 175.0166 131 V 5.0564 9.5227 122.1455 60.3246 35.6188 174.1477 132 I 4.6174 9.0197 124.7463 60.1315 38.7632 174.4878 133 L 5.0431 8.9783 128.2028 53.4414 43.8639 175.2969 134 C 5.1437 8.9360 121.3415 57.8093 30.7260 173.0835 135 A 4.6619 9.0221 126.4830 51.8210 19.1589 176.6582 136 G 4.3441 8.0464 107.0949 46.4654 0.0000 173.0497 137 V 4.6228 8.2349 113.9983 59.3516 35.7930 175.8573 138 T 4.0868 8.3346 114.2614 62.4493 67.2142 174.3528 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 N 8.42 4.69 0.00 2.68 2.91 0.00 0.00 6.99 7.08 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 A 8.11 4.02 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 2 K 9.16 3.95 0.00 1.81 2.13 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 K 8.32 4.07 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.95 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 5 T 8.16 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 V 7.62 3.98 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 0.82 0.00 0.00 0.96 0.00 0.00 7 L 8.12 4.32 0.00 1.67 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.95 4.45 0.00 2.75 2.68 0.00 0.00 7.00 7.63 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 9 S 8.61 4.16 0.00 4.08 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 0.00 10 E 8.38 3.98 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 2.33 2.49 0.00 11 I 7.93 3.70 1.86 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 1.63 0.74 0.90 0.00 0.00 12 S 8.07 4.11 0.00 4.02 3.91 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 13 S 7.87 4.07 0.00 3.95 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 14 V 8.02 3.78 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 0.85 0.00 0.00 0.93 0.00 0.00 15 I 8.00 3.76 1.94 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 1.57 1.52 0.91 0.00 0.00 16 S 7.97 4.32 0.00 4.04 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 17 R 7.58 4.36 0.00 1.94 2.00 0.00 3.16 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 18 L 7.28 4.27 0.00 1.68 1.60 0.92 1.20 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 19 G 9.17 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.58 4.47 0.00 3.09 3.24 0.00 5.81 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 21 T 8.86 3.49 4.16 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 0.93 0.00 0.00 22 D 7.86 4.67 0.00 2.78 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 23 T 8.42 5.13 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 1.21 0.00 0.00 24 L 8.77 5.14 0.00 1.72 1.48 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.68 4.84 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 1.06 0.00 0.00 0.85 0.00 0.00 26 V 8.72 4.94 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 0.90 0.00 0.00 0.88 0.00 0.00 27 C 9.20 5.77 0.00 3.29 3.14 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 0.00 0.00 0.00 0.00 28 D 9.35 5.23 0.00 3.02 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 29 A 8.98 4.08 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 30 G 7.87 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 0.00 0.00 0.00 31 L 7.53 4.17 0.00 1.69 1.66 1.12 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.47 0.00 2.24 2.06 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 33 I 7.98 4.45 1.89 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 1.45 0.86 0.92 0.00 0.00 34 P 0.00 4.45 0.00 2.17 1.96 0.00 3.59 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 35 N 8.56 4.61 0.00 2.81 2.93 0.00 0.00 6.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.92 4.43 0.00 3.99 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 37 T 7.36 4.77 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 1.26 0.00 0.00 38 A 8.22 4.22 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 39 R 8.55 4.77 0.00 1.82 1.83 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 40 I 8.78 4.36 1.88 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 1.11 0.62 0.91 0.00 0.00 41 D 8.55 4.95 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 A 8.30 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 44 L 8.75 4.18 0.00 1.61 1.86 0.92 0.79 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 45 T 7.34 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 46 Q 8.64 4.02 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 47 G 9.42 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.06 4.44 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 0.99 0.00 0.00 0.99 0.00 0.00 49 P 0.00 5.09 0.00 2.15 2.15 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 50 S 9.10 4.71 0.00 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.92 4.23 0.00 3.11 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 *53 Q 8.14 4.19 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 54 V 7.55 3.51 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 1.01 0.00 0.00 0.93 0.00 0.00 55 V 7.53 3.36 1.61 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 0.81 0.00 0.00 0.20 0.00 0.00 56 D 7.74 4.20 0.00 2.51 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.73 3.70 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 0.92 0.00 0.00 0.98 0.00 0.00 58 V 7.91 3.59 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 0.98 0.00 0.00 0.90 0.00 0.00 59 T 7.84 4.20 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 60 R 7.80 4.11 0.00 1.98 2.04 0.00 3.13 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 61 E 7.85 4.48 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 *63 Q 7.89 4.23 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 64 V 8.89 4.86 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 0.86 0.00 0.00 0.93 0.00 0.00 65 E 9.32 4.67 0.00 2.05 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 0.00 2.21 2.25 0.00 66 A 7.63 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 67 A 9.37 5.16 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 68 I 8.99 4.98 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 1.01 0.00 0.00 69 L 8.60 5.27 0.00 1.35 1.55 1.04 0.67 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 70 A 8.07 4.71 1.03 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 0.00 0.00 71 T 8.88 3.85 4.18 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 1.08 0.00 0.00 72 E 7.87 3.66 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.06 0.00 73 I 7.62 3.66 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 1.49 1.31 0.82 0.00 0.00 74 K 7.43 3.75 0.00 1.69 1.71 0.00 1.39 0.00 0.00 1.43 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.17 7.81 75 Q 7.84 4.17 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 76 Q 7.77 4.55 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.35 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 77 N 8.29 5.04 0.00 2.79 2.63 0.00 0.00 6.80 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.30 0.00 2.31 2.43 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 79 Q 8.04 3.97 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 80 L 7.98 4.00 0.00 1.81 1.81 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.54 4.21 0.00 3.31 3.52 0.00 5.66 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 82 E 8.47 3.93 0.00 2.17 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 2.53 2.50 0.00 83 T 7.95 3.92 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 1.27 0.00 0.00 84 L 8.21 4.09 0.00 2.09 1.96 1.08 0.82 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 85 L 8.03 4.04 0.00 1.88 1.71 0.87 0.64 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 86 T 8.02 3.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 87 H 8.35 4.31 0.00 3.28 3.48 0.00 5.78 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 88 L 8.43 3.96 0.00 1.90 1.71 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.29 3.92 0.00 2.23 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 2.29 2.34 0.00 90 Q 8.08 4.04 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 91 L 8.09 3.83 0.00 1.66 1.74 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 7.97 4.20 0.00 2.56 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 93 Q 7.53 3.95 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 94 H 7.74 4.45 0.00 3.12 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.31 4.21 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.39 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 96 G 8.18 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 0.00 0.00 0.00 97 N 7.75 4.95 0.00 2.81 2.91 0.00 0.00 5.51 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 98 T 8.26 4.76 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 99 I 8.79 4.30 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 1.24 0.65 0.91 0.00 0.00 100 K 8.73 4.23 0.00 1.88 1.67 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.42 7.81 101 I 8.37 5.02 1.88 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 1.41 0.60 0.64 0.00 0.00 102 S 8.63 4.73 0.00 3.84 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 0.00 103 Y 8.57 5.42 0.00 2.87 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 0.00 104 T 8.88 4.97 4.32 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 1.28 0.00 0.00 105 T 8.47 4.24 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 106 H 8.86 4.20 0.00 3.30 3.41 0.00 5.79 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 0.00 107 E 8.25 3.96 0.00 2.05 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 2.44 2.35 0.00 108 Q 8.15 4.01 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 109 F 8.48 4.08 0.00 3.30 3.24 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 0.00 110 K 8.14 4.04 0.00 1.94 1.89 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.52 7.81 111 K 7.90 4.10 0.00 1.94 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.02 3.97 0.00 1.61 1.56 0.88 0.43 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 0.00 113 T 7.84 3.66 4.18 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 0.99 0.00 0.00 114 A 7.63 4.09 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 0.00 115 D 7.82 4.64 0.00 2.72 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 0.00 116 S 7.32 5.02 0.00 4.13 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 0.00 117 Q 8.97 4.28 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 118 A 7.53 4.88 1.18 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 0.00 0.00 119 V 8.68 4.66 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 1.11 0.00 0.00 0.94 0.00 0.00 120 I 9.17 4.68 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 1.11 0.53 0.91 0.00 0.00 121 R 8.92 4.67 0.00 1.82 1.86 0.00 3.27 0.00 0.00 3.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 122 S 8.92 4.62 0.00 4.11 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.80 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 0.00 124 E 8.33 4.42 0.00 2.35 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 125 C 8.74 4.79 0.00 2.85 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 0.00 126 S 7.64 4.33 0.00 4.02 3.84 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 0.00 127 P 0.00 4.09 0.00 2.11 1.81 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 128 Y 7.64 3.41 0.00 3.02 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 0.00 129 A 7.46 3.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.55 5.60 0.00 2.16 2.95 0.00 0.00 6.98 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 0.00 131 V 9.52 5.06 2.44 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 0.96 0.00 0.00 1.15 0.00 0.00 132 I 9.02 4.62 1.81 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.01 0.82 0.00 0.00 133 L 8.98 5.04 0.00 1.67 1.57 0.91 0.61 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 0.00 134 C 8.94 5.14 0.00 2.83 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 0.00 135 A 9.02 4.66 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 0.00 136 G 8.05 4.34 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 0.00 137 V 8.23 4.62 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 0.73 0.00 0.00 0.88 0.00 0.00 138 T 8.33 4.09 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.