NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2977 8.1693 122.4965 55.2929 43.0268 176.6240 5 T 4.4614 8.1638 116.9035 59.8245 72.2903 172.7374 6 E 4.0275 8.7758 120.9242 61.5005 29.9971 180.6172 7 E 4.1807 8.1219 119.7840 59.0090 29.7653 178.7267 8 Q 3.7445 7.9238 117.8003 58.8969 28.7740 178.7566 9 I 4.0635 7.9763 120.5386 64.4980 36.7187 178.3233 10 A 4.0272 8.1138 121.5084 55.3481 17.8664 179.5929 11 E 4.0050 8.4843 117.3699 59.4969 29.3941 179.6350 12 F 4.8344 8.1286 118.0849 60.4194 38.8910 177.6509 13 K 3.9200 8.5638 119.4848 59.4264 32.0320 178.6100 14 E 4.1233 8.0751 117.5297 58.8310 28.8955 178.9322 15 A 4.3383 8.0652 120.9202 55.0369 18.4809 179.3781 16 F 3.5466 8.7003 119.6723 61.2182 39.1702 177.5532 17 S 3.7333 7.8525 113.2894 61.0924 62.9319 175.8443 18 L 3.9595 7.3099 122.1609 57.9021 41.8240 178.8173 19 F 4.2025 7.4104 115.6399 59.8411 40.5603 176.8803 20 D 4.4405 8.2080 120.4341 52.5812 37.4312 176.3081 21 K 3.8100 7.9206 122.3837 58.9466 32.7252 177.8466 22 D 4.5889 8.0386 115.2620 52.5114 39.4663 177.0832 23 G 3.8990 7.9943 106.9983 46.5709 0.0000 174.2066 24 D 4.5748 8.1840 117.5675 53.2585 39.3073 177.4023 25 G 4.2432 9.5827 110.9562 45.2368 0.0000 173.3069 26 T 5.1244 7.8196 108.6083 59.9640 72.0273 173.5304 27 I 4.5043 9.1000 125.3544 60.5721 39.0079 175.5356 28 T 4.8289 8.5691 117.3850 60.0491 71.4238 175.8122 29 T 3.8837 8.5096 112.0668 64.9380 68.3930 176.5731 30 K 3.9832 7.9661 120.7595 59.4006 32.0613 179.0515 31 E 4.0152 8.0974 118.4344 59.0655 29.2632 179.1314 32 L 4.2594 8.2874 120.8070 58.2216 42.2910 179.2300 33 G 3.6690 8.3224 105.6966 48.2502 0.0000 175.7643 34 T 3.9879 7.7290 117.6435 66.0639 68.5194 177.2961 35 V 3.5110 7.6103 120.2658 66.2869 31.6632 178.1680 36 M 4.2517 8.4801 120.9370 58.6933 31.7346 179.7141 37 R 4.6341 8.2237 122.5661 60.9767 29.3938 182.5355 38 S 4.4001 7.4551 113.3335 61.2443 62.8677 176.0360 39 L 4.2689 7.4678 118.5041 54.7288 41.1739 177.9023 40 G 3.9139 8.4468 107.6443 45.4828 0.0000 173.7969 41 Q 4.6114 7.9146 118.7345 54.5708 30.9934 174.6948 42 N 5.2407 8.1726 115.5051 51.0352 38.8081 172.4643 43 P 5.3932 0.0000 0.0000 61.6262 33.1779 177.8946 44 T 4.3021 8.3388 111.4975 60.8957 71.2877 175.2120 45 E 3.9033 8.7363 120.9745 59.6033 29.3941 178.6829 46 A 4.0137 7.9232 120.2409 55.0329 18.6410 179.3476 47 E 3.9424 8.3351 117.3340 59.4568 29.5448 179.4569 48 L 4.0328 8.3193 119.5421 57.8571 41.6152 179.4056 49 Q 3.9922 8.4242 119.9138 59.0598 28.8533 177.6930 50 D 4.3688 8.3021 120.1506 57.7754 41.0033 178.8392 51 M 4.0849 7.9746 118.6569 58.3612 31.9721 178.9001 52 I 3.8057 7.7549 119.9279 64.5781 37.1032 178.0745 53 N 4.4730 8.2555 118.4963 57.1417 38.3904 177.6373 54 E 4.1111 7.7584 118.9550 60.9735 29.9328 181.2947 55 V 4.2189 7.1803 116.7004 64.2149 32.7754 176.5359 56 D 4.7763 8.4926 118.9580 53.5556 39.2734 176.0795 57 A 4.0236 8.3632 128.4686 54.0075 18.8818 178.2498 58 D 4.5541 8.4792 113.3938 52.8909 40.1700 177.3430 59 G 4.0763 8.0557 108.0258 46.4159 0.0000 173.8067 60 N 4.5547 8.3840 114.3719 52.6216 37.2764 176.0041 61 G 3.9554 9.0482 106.3375 45.8946 0.0000 172.9456 62 T 4.8671 7.6763 108.2160 60.0661 72.6736 173.1687 63 I 4.7561 8.6091 123.1927 59.9144 39.3159 175.6295 64 D 5.3167 8.6683 126.8713 51.1872 42.0620 177.5542 65 F 3.4017 8.4731 119.3546 60.6730 39.1939 174.8255 66 P 4.0020 0.0000 0.0000 65.6277 31.1893 178.3765 67 E 3.8771 8.2583 116.9171 59.2158 29.3061 179.1134 68 F 3.9992 8.0889 120.6830 61.1596 39.4778 176.8338 69 L 3.3768 7.7260 120.1718 58.1643 41.8707 178.9075 70 T 3.6486 7.5189 115.5296 66.7813 68.3915 176.0485 71 M 3.8186 7.5165 119.4219 59.0629 32.2931 178.2464 72 M 3.6083 7.5151 118.5887 57.9719 31.6525 178.6973 73 A 3.9269 7.6202 120.6301 54.8329 18.6554 179.4316 74 R 3.8971 7.6498 116.8184 59.4580 30.1364 178.6635 75 K 3.8724 7.9910 119.4823 59.7437 31.9580 178.2293 76 M 4.0304 7.8683 117.3640 58.7607 32.1512 178.0695 77 K 4.2269 7.8626 119.9050 59.7931 32.7249 178.7950 78 D 4.8372 8.2841 126.5512 52.9608 38.6325 181.4066 *82 E 4.2419 8.6388 120.8583 58.5020 30.6584 176.9081 83 E 4.2544 8.4482 118.2802 60.2746 29.7907 179.3743 84 E 4.2433 8.1142 116.9865 60.3166 29.7458 179.1372 85 I 3.9599 7.8557 119.4003 64.2692 37.2399 178.3219 86 R 4.1429 8.2277 122.1948 60.1583 29.7207 178.9931 87 E 4.0760 8.4132 117.1312 61.1972 29.8547 180.5285 88 A 4.5766 8.4763 122.1180 55.0172 18.5534 179.4526 89 F 3.0331 8.9153 119.5740 61.2004 39.1700 177.3207 90 R 4.0423 8.0426 117.2438 59.3192 29.8511 178.3762 91 V 3.7385 7.4039 117.5806 65.6120 31.5576 177.7581 92 F 4.1577 7.9816 116.3608 59.4889 40.7156 176.6901 93 D 4.5956 7.8689 120.1226 51.8859 37.4963 175.9956 94 K 3.7397 7.8615 124.3880 59.1865 32.6248 176.9507 95 D 4.5344 8.3609 114.8298 52.7378 39.8211 176.3220 96 G 3.9202 7.9510 108.2096 46.9286 0.0000 174.3461 97 N 4.5736 8.2546 115.9690 52.7907 38.1491 175.9046 98 G 3.9889 9.6187 109.1264 45.1180 0.0000 172.3681 99 Y 5.3478 7.8159 116.2022 56.1929 41.4386 175.0460 100 I 4.5700 9.0971 125.7598 60.4595 38.8832 176.0663 101 S 4.9745 8.7470 122.3192 57.0924 65.1329 175.3843 102 A 4.0100 8.7176 121.0966 55.4005 17.9977 179.6979 103 A 3.9495 7.9842 118.7367 55.2951 18.5214 179.5972 104 E 3.9297 8.4073 117.3163 59.2881 29.5411 179.1974 105 L 4.0341 8.1833 120.5288 58.2696 42.1870 179.2889 106 R 3.9206 8.2951 118.2430 59.3437 29.9121 178.2801 107 H 4.0564 8.3953 118.2442 59.3442 29.7781 177.3866 108 V 3.2215 7.4936 119.5196 66.1350 31.2500 177.7233 109 M 3.9733 7.9420 118.5891 58.7500 31.4129 178.9447 110 T 3.8457 8.4115 110.0416 64.9069 68.6032 176.2858 111 N 4.2968 8.0307 118.6513 55.9294 38.6805 177.0173 112 L 4.1520 8.1110 119.0431 55.4361 41.7276 178.0698 113 G 3.8144 7.3786 106.2602 45.6537 0.0000 172.9225 114 E 4.1663 8.2966 122.9967 55.2026 30.3107 177.3096 115 K 4.1627 8.5582 127.8256 54.5433 32.3624 174.2454 116 L 5.1310 8.2525 122.9317 52.6876 43.5749 175.9917 117 T 4.7596 7.9425 109.2379 59.3613 73.3277 174.7203 118 D 4.4295 8.6494 123.3779 58.0616 40.8513 179.4997 119 E 4.0117 8.1409 118.6863 61.1239 29.8215 181.0455 120 E 4.6417 8.1883 120.1777 58.4293 29.6300 179.4665 121 V 3.6182 7.6635 119.5099 65.8698 31.6196 177.5970 122 D 4.3930 8.3148 119.0680 57.4995 40.5844 178.7754 123 E 4.1771 8.2445 117.9629 59.3955 29.5723 178.7700 124 M 4.0654 8.0522 119.7412 58.5199 32.0591 178.7396 125 I 3.7062 8.0708 119.6063 64.5390 37.1701 178.2399 126 R 3.9306 8.2765 118.6706 59.6831 29.8070 177.8872 127 E 4.1089 7.9540 115.6698 59.4120 29.9582 178.6236 128 A 4.3626 7.6699 120.2872 53.2912 19.0220 177.0507 129 D 4.5587 8.2012 117.2285 53.9789 40.0004 175.9684 130 I 3.9557 8.4237 127.0005 64.0476 37.4799 177.4842 131 D 4.4573 8.3924 116.8295 53.6437 39.4857 176.7122 132 G 3.8960 7.8876 107.8729 46.7710 0.0000 174.2084 133 D 4.4441 8.4156 117.4438 53.1497 39.8063 177.3831 134 G 3.9563 9.0545 108.6777 45.5525 0.0000 172.5942 135 Q 4.8094 8.0278 116.6107 54.2055 33.7802 174.5883 136 V 4.6918 8.8070 120.5589 61.4420 33.2883 175.2093 137 N 5.7258 9.4137 126.7011 51.5964 39.2567 175.5846 138 Y 3.0134 8.3908 118.5773 60.6904 38.1253 177.7662 139 E 3.7999 8.0990 118.6941 59.5891 29.6353 179.1685 140 E 3.8910 8.7252 118.6941 59.0210 29.4353 178.9126 141 F 3.9586 8.4070 121.1662 61.2796 39.1753 177.0990 142 V 3.3562 7.0898 116.2188 66.2105 31.4476 177.6283 143 Q 4.0235 7.3431 117.1217 59.2555 28.3577 178.4197 144 M 3.8592 7.6642 117.7523 58.0923 32.1102 176.8609 145 M 4.3695 7.4446 116.5895 55.4089 33.4064 175.7120 146 T 4.1466 7.7278 120.0730 63.2263 69.6348 173.8292 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 4 L 8.17 4.30 0.00 1.65 1.71 1.12 0.67 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 5 T 8.16 4.46 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 6 E 8.78 4.03 0.00 1.99 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 2.32 1.95 0.00 7 E 8.12 4.18 0.00 2.06 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 2.35 2.61 0.00 8 Q 7.92 3.74 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 9 I 7.98 4.06 2.15 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 1.63 0.84 1.18 0.00 0.00 10 A 8.11 4.03 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 11 E 8.48 4.00 0.00 1.82 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 2.27 2.56 0.00 12 F 8.13 4.83 0.00 3.64 3.40 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 13 K 8.56 3.92 0.00 1.57 1.84 0.00 0.71 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.23 1.01 7.81 14 E 8.08 4.12 0.00 2.34 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 2.35 2.34 0.00 15 A 8.07 4.34 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 0.00 0.00 0.00 0.00 0.00 16 F 8.70 3.55 0.00 3.04 3.25 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 0.00 17 S 7.85 3.73 0.00 4.01 4.02 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 18 L 7.31 3.96 0.00 1.64 1.75 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.41 4.20 0.00 2.89 2.85 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 20 D 8.21 4.44 0.00 1.82 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 0.00 0.00 0.00 21 K 7.92 3.81 0.00 1.74 1.83 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.34 7.81 22 D 8.04 4.59 0.00 2.70 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 23 G 7.99 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 24 D 8.18 4.57 0.00 2.77 2.79 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 25 G 9.58 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 0.00 0.00 0.00 0.00 26 T 7.82 5.12 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 1.30 0.00 0.00 27 I 9.10 4.50 1.82 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.37 0.88 0.00 0.00 28 T 8.57 4.83 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 1.22 0.00 0.00 29 T 8.51 3.88 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 1.22 0.00 0.00 30 K 7.97 3.98 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.53 7.81 31 E 8.10 4.02 0.00 2.02 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 0.00 2.31 2.30 0.00 32 L 8.29 4.26 0.00 2.00 1.84 0.96 1.07 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 33 G 8.32 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.73 3.99 4.35 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 1.18 0.00 0.00 35 V 7.61 3.51 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 0.56 0.00 0.00 0.69 0.00 0.00 36 M 8.48 4.25 0.00 2.14 2.22 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 2.86 2.66 0.00 37 R 8.22 4.63 0.00 1.85 1.94 0.00 3.26 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.37 0.00 38 S 7.46 4.40 0.00 4.22 4.12 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 39 L 7.47 4.27 0.00 1.69 1.74 0.97 0.84 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 40 G 8.45 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 0.00 0.00 0.00 41 Q 7.91 4.61 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 42 N 8.17 5.24 0.00 2.64 2.72 0.00 0.00 6.96 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 43 P 0.00 5.39 0.00 2.20 2.07 0.00 3.38 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 44 T 8.34 4.30 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 1.22 0.00 0.00 45 E 8.74 3.90 0.00 2.10 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 2.39 2.46 0.00 46 A 7.92 4.01 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 47 E 8.34 3.94 0.00 2.27 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 2.34 2.35 0.00 48 L 8.32 4.03 0.00 1.86 1.74 0.98 0.68 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 49 Q 8.42 3.99 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 50 D 8.30 4.37 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 51 M 7.97 4.08 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.60 0.00 52 I 7.75 3.81 2.00 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 1.72 0.80 0.92 0.00 0.00 53 N 8.26 4.47 0.00 2.86 2.90 0.00 0.00 7.00 7.39 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 54 E 7.76 4.11 0.00 2.02 1.86 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 2.26 2.18 0.00 55 V 7.18 4.22 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 0.93 0.00 0.00 0.95 0.00 0.00 56 D 8.49 4.78 0.00 2.88 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 A 8.36 4.02 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 58 D 8.48 4.55 0.00 2.80 2.78 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 59 G 8.06 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 0.00 0.00 0.00 60 N 8.38 4.55 0.00 2.89 2.94 0.00 0.00 6.93 6.37 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 61 G 9.05 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 0.00 0.00 0.00 62 T 7.68 4.87 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 1.23 0.00 0.00 63 I 8.61 4.76 1.96 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 0.96 1.11 0.00 0.00 64 D 8.67 5.32 0.00 2.87 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 65 F 8.47 3.40 0.00 1.94 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 66 P 0.00 4.00 0.00 2.13 2.02 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 67 E 8.26 3.88 0.00 2.21 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 0.00 2.30 2.42 0.00 68 F 8.09 4.00 0.00 3.33 3.05 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 69 L 7.73 3.38 0.00 0.64 1.27 0.97 0.80 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 70 T 7.52 3.65 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 1.11 0.00 0.00 71 M 7.52 3.82 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 72 M 7.52 3.61 0.00 0.69 0.76 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.49 0.00 73 A 7.62 3.93 1.20 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 0.00 0.00 74 R 7.65 3.90 0.00 1.91 2.04 0.00 3.04 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 75 K 7.99 3.87 0.00 1.82 1.70 0.00 1.57 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 76 M 7.87 4.03 0.00 2.29 2.41 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.68 0.00 77 K 7.86 4.23 0.00 2.15 1.85 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.32 7.81 78 D 8.28 4.84 0.00 2.68 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 0.00 0.00 0.00 0.00 *82 E 8.64 4.24 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 83 E 8.45 4.25 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.96 0.00 84 E 8.11 4.24 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 85 I 7.86 3.96 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 1.62 0.73 1.10 0.00 0.00 86 R 8.23 4.14 0.00 2.14 1.97 0.00 2.90 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 87 E 8.41 4.08 0.00 2.08 1.86 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 2.26 2.21 0.00 88 A 8.48 4.58 1.76 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 0.00 0.00 89 F 8.92 3.03 0.00 2.81 3.17 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 90 R 8.04 4.04 0.00 2.06 2.14 0.00 3.32 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 91 V 7.40 3.74 2.40 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 0.82 0.00 0.00 1.06 0.00 0.00 92 F 7.98 4.16 0.00 2.73 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 93 D 7.87 4.60 0.00 1.71 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 0.00 0.00 0.00 94 K 7.86 3.74 0.00 1.70 1.79 0.00 1.29 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.38 7.81 95 D 8.36 4.53 0.00 2.82 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 96 G 7.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.25 4.57 0.00 3.01 3.02 0.00 0.00 7.09 6.66 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 98 G 9.62 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 99 Y 7.82 5.35 0.00 2.92 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 0.00 100 I 9.10 4.57 2.02 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 1.02 0.75 1.11 0.00 0.00 101 S 8.75 4.97 0.00 3.88 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 0.00 102 A 8.72 4.01 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 0.00 103 A 7.98 3.95 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 0.00 104 E 8.41 3.93 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 105 L 8.18 4.03 0.00 2.01 1.93 1.23 0.97 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 0.00 106 R 8.30 3.92 0.00 2.07 1.97 0.00 3.20 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 1.66 1.86 0.00 107 H 8.40 4.06 0.00 3.12 3.50 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.49 3.22 1.76 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 0.39 0.00 0.00 0.36 0.00 0.00 109 M 7.94 3.97 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 110 T 8.41 3.85 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 1.27 0.00 0.00 111 N 8.03 4.30 0.00 2.72 3.01 0.00 0.00 7.09 7.88 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 0.00 112 L 8.11 4.15 0.00 1.72 1.66 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.38 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 0.00 114 E 8.30 4.17 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 115 K 8.56 4.16 0.00 1.81 1.60 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.00 7.81 116 L 8.25 5.13 0.00 1.67 1.61 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.94 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 0.00 118 D 8.65 4.43 0.00 2.71 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 0.00 119 E 8.14 4.01 0.00 1.97 1.96 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 2.31 1.94 0.00 120 E 8.19 4.64 0.00 2.22 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 2.47 2.19 0.00 121 V 7.66 3.62 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 1.15 0.00 0.00 1.03 0.00 0.00 122 D 8.31 4.39 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.24 4.18 0.00 2.23 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 2.50 2.40 0.00 124 M 8.05 4.07 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.63 0.00 125 I 8.07 3.71 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.69 1.01 0.00 0.00 126 R 8.28 3.93 0.00 1.81 2.23 0.00 3.26 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 127 E 7.95 4.11 0.00 2.20 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 0.00 2.60 2.31 0.00 128 A 7.67 4.36 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 0.00 129 D 8.20 4.56 0.00 2.70 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 0.00 130 I 8.42 3.96 1.99 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 1.47 0.76 0.92 0.00 0.00 131 D 8.39 4.46 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 7.89 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 0.00 133 D 8.42 4.44 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 9.05 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 0.00 0.00 0.00 135 Q 8.03 4.81 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 136 V 8.81 4.69 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.03 0.00 0.00 137 N 9.41 5.73 0.00 2.68 2.99 0.00 0.00 6.45 7.94 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 0.00 138 Y 8.39 3.01 0.00 2.15 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 0.00 139 E 8.10 3.80 0.00 2.24 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 140 E 8.73 3.89 0.00 2.23 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 2.34 2.41 0.00 141 F 8.41 3.96 0.00 3.25 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 0.00 142 V 7.09 3.36 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 0.77 0.00 0.00 0.39 0.00 0.00 143 Q 7.34 4.02 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 144 M 7.66 3.86 0.00 1.72 2.01 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 145 M 7.44 4.37 0.00 1.73 1.32 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 146 T 7.73 4.15 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.