NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2529 8.2549 119.0202 56.3538 30.3511 174.1853 7 Y 4.4936 7.7983 121.9297 56.1786 39.4661 173.2973 8 E 4.2028 9.8828 123.6126 58.2090 32.3093 175.8804 9 Y 5.1319 7.9597 115.5446 56.1133 42.4688 174.6302 10 I 4.9357 8.6570 123.7538 59.5712 40.4024 174.6114 11 V 4.6249 9.0079 128.1893 61.3962 33.3332 174.2242 12 I 4.6459 8.9821 130.4442 60.9481 39.3989 175.8258 13 G 4.1161 9.5243 115.8223 46.7970 0.0000 174.2106 14 S 4.8691 9.0962 127.1242 58.6888 63.8512 175.6387 15 E 4.4695 7.7999 121.2409 57.1288 33.2652 177.2715 16 A 4.1455 8.4828 115.5945 57.1190 18.4892 179.9483 17 A 4.0153 7.9924 118.9360 55.1082 18.5572 179.8890 18 G 3.9308 7.8614 104.9977 47.7597 0.0000 176.2863 19 V 3.6547 8.1938 116.0489 63.5117 31.4682 178.9748 20 G 3.5792 8.1392 105.7483 47.8221 0.0000 175.8058 21 L 3.9440 7.9070 121.6392 57.3521 41.4784 179.6248 22 V 3.4324 7.7129 118.2015 65.9546 31.2844 178.4491 23 R 3.9376 7.5639 117.1414 59.2930 30.0947 178.6586 24 E 3.9475 8.1617 119.0915 59.2277 29.6036 178.8392 25 L 3.9511 8.0746 119.2056 57.9431 41.5639 179.4523 26 T 4.1168 7.7861 115.6910 66.8350 68.2345 176.5125 27 A 4.0497 7.9629 121.1864 54.7791 18.4892 178.7425 28 A 4.2535 7.7308 116.4753 52.3001 18.8090 177.3539 29 G 3.7625 8.4031 105.5413 46.4966 0.0000 173.8125 30 K 4.9665 7.8909 119.6472 54.0741 35.1452 177.4192 31 K 4.5793 8.9964 126.0727 54.5295 32.9471 176.6496 32 V 5.1056 8.7351 125.3252 60.0083 34.6322 174.1749 33 L 4.6732 8.5981 128.8118 53.1020 44.3657 174.7398 34 A 5.0027 8.7846 128.4483 50.8553 20.9915 175.9980 35 V 4.7310 8.8313 121.4730 61.2628 34.9617 173.8665 36 D 4.8562 8.3797 127.1675 54.0987 44.5989 177.0503 37 K 4.0999 8.8198 124.4505 56.4623 32.4111 178.5378 38 S 4.3404 8.6781 112.8881 57.9521 62.5962 173.9215 39 K 3.7896 8.7207 131.0398 59.8554 31.8525 177.9066 40 E 3.9132 8.0491 118.6034 59.3318 29.7435 178.7687 41 K 4.0284 8.1174 118.5516 59.3534 31.9855 179.5973 42 I 3.7158 7.8577 120.1204 64.4865 37.0173 178.1895 43 E 4.0432 8.6353 122.2594 60.1464 29.3274 180.2098 44 L 4.0618 8.0226 122.2866 59.3509 40.9946 181.4171 45 L 4.4156 7.9592 119.8684 57.8945 41.5805 179.5340 46 E 4.3457 8.5213 120.1127 59.1015 29.1893 178.9855 47 D 4.4412 8.2733 118.2040 57.2466 40.9739 178.0188 48 E 4.3234 7.8515 115.9002 56.4039 29.8483 177.2183 49 G 3.8175 7.8026 107.7264 44.9702 0.0000 173.5940 50 F 4.7720 7.8591 118.3121 56.6169 41.0473 174.6832 51 D 5.0152 8.8871 121.0883 53.9183 41.7875 175.3960 52 A 5.2472 8.5261 124.6346 50.4061 22.4426 175.3798 53 V 4.5052 8.7741 119.7769 59.8499 35.3047 174.7411 54 I 4.4105 8.4363 124.1675 61.2022 37.4102 175.0262 55 A 4.3321 8.2460 127.6617 50.6824 22.6644 175.3400 56 D 4.4735 8.3507 120.0977 52.6341 41.2869 175.0660 57 P 4.4599 0.0000 0.0000 63.7385 31.3823 177.2244 58 T 4.3923 8.1426 108.2796 61.6446 69.4358 174.1935 59 D 4.6223 8.0942 124.0470 53.3336 40.8647 176.4063 60 E 4.2709 8.9088 127.9693 59.8253 29.2315 179.5311 61 S 4.2146 8.0918 114.2213 61.1456 63.1138 176.1239 62 F 4.2286 8.1596 123.2024 61.6362 39.0753 176.8603 63 Y 4.0726 7.5419 115.6514 61.0393 37.4863 178.5360 64 R 4.0753 7.9776 118.2944 58.5105 30.2290 178.4279 65 S 4.2878 7.5788 112.6475 58.8234 63.7050 174.2320 66 L 4.3188 6.6726 122.0575 53.4796 42.7325 176.2808 67 D 4.5884 8.4129 121.4695 53.4446 39.9702 175.9762 68 L 4.4819 8.2665 128.2226 55.3683 42.5846 179.5100 69 E 4.0181 8.0520 115.1503 58.2237 29.7667 183.4066 70 G 3.8967 7.8938 104.1789 45.8504 0.0000 174.1255 71 V 3.8620 7.0055 119.7699 62.6299 32.1776 175.9770 72 S 4.3311 8.7219 123.6569 61.1698 63.4117 174.4887 73 A 5.0173 7.4813 118.7964 50.8529 22.7680 174.9524 74 V 4.6960 9.1120 121.2532 61.3926 33.8447 174.5908 75 L 5.0427 9.4111 128.4858 53.3185 43.9250 175.6992 76 I 4.7689 8.8348 127.1413 60.3083 37.9820 176.2199 77 T 4.4858 8.8203 117.0982 61.0511 69.6677 174.9968 78 G 3.8591 8.2224 111.3972 46.0930 0.0000 173.4057 79 S 4.5021 8.5112 112.5738 57.8583 63.3983 174.0508 80 D 4.7959 7.7695 121.1085 52.7774 42.2454 175.7751 81 D 4.5344 8.7236 127.9705 57.8651 41.1183 178.8407 82 E 4.0938 8.3852 118.2914 59.3284 29.4432 179.0760 83 F 4.4092 8.7815 120.8074 61.5013 39.4214 177.0071 84 N 4.3382 8.7006 116.3691 56.1422 38.2143 177.2214 85 L 3.6712 8.2460 121.9433 57.9063 42.1340 179.1072 86 K 3.8869 7.8798 118.0656 59.4093 31.8561 179.4243 87 I 3.8436 7.5936 121.5388 63.7444 36.9434 178.2360 88 L 3.8801 8.0978 121.3896 58.0926 41.9099 179.2100 89 K 3.8934 8.2737 118.4463 59.1337 31.5886 179.1599 90 A 3.9758 8.0690 121.1045 55.0572 18.3128 179.2043 91 L 3.0405 7.9408 119.0373 58.4293 41.8855 179.6281 92 R 4.2270 8.1871 117.8622 58.3383 29.9936 178.8810 93 S 4.2386 7.9215 113.3112 60.3341 63.0268 175.6073 94 V 4.1457 6.9058 120.4879 63.2954 32.8917 175.4668 95 S 4.5954 7.6917 111.3728 56.9637 65.4414 173.4065 96 D 4.7764 8.5665 124.6488 52.9187 39.5518 176.7811 97 V 3.5861 7.4918 119.5929 62.5105 31.7194 175.3570 98 Y 4.1284 8.8300 123.7718 58.3666 39.7039 174.6169 99 A 5.2879 8.1023 126.8343 50.1590 22.8417 174.3671 100 I 4.7684 8.7411 122.4839 59.3941 40.4625 174.8520 101 V 4.7613 8.5177 126.4853 60.7877 34.5498 174.4134 102 R 4.5259 8.8717 129.4005 56.2353 30.7863 175.6971 103 V 4.2948 8.5961 126.1662 61.1917 34.0693 176.3058 104 S 4.1109 9.9435 122.8045 59.6249 63.8881 174.0976 105 S 4.5917 8.1143 116.7143 55.8329 62.7746 172.4980 106 P 4.2453 0.0000 0.0000 65.5660 30.8238 178.5514 107 K 4.0747 8.0921 116.1004 59.2818 32.5813 178.1340 108 K 4.4149 8.1178 118.5207 56.4668 32.3543 178.2304 109 K 3.9108 7.9480 121.5910 59.5989 32.1401 178.0432 110 E 3.9743 8.2334 119.1605 59.3314 29.6700 178.4271 111 E 4.2640 8.2393 117.1169 59.4742 29.5649 179.0389 112 F 3.9014 8.2514 118.5688 60.2125 38.9875 177.4556 113 E 3.9923 8.4547 118.2750 59.6174 29.0918 179.2999 114 E 3.9950 8.5086 117.3993 59.0597 29.5818 178.4144 115 A 4.3178 7.7184 118.0534 52.1438 18.7045 177.7943 116 G 3.9073 7.7855 106.0996 45.0397 0.0000 173.9381 117 A 4.0405 7.8606 123.2615 51.8896 18.7028 178.1382 118 N 4.4151 8.2295 121.6766 55.7638 39.1495 175.9716 119 L 4.8111 7.5023 116.6989 52.8448 46.4362 175.5344 120 V 4.5931 8.4029 122.1264 61.2228 33.5802 175.0640 121 V 4.1469 8.7118 128.8867 61.2379 32.6340 174.7039 122 L 4.5833 8.2368 129.0727 54.0079 42.6452 178.3775 123 V 3.5559 8.6961 123.4250 66.1774 31.3443 178.2253 124 A 3.9885 7.9145 119.8605 55.2106 18.2119 179.1572 125 D 4.2670 8.0676 116.6844 57.4617 40.9770 178.6535 126 A 3.9821 8.0236 121.2500 55.1268 18.3355 179.9352 127 V 3.5924 8.1733 117.0542 65.9532 31.4548 177.9464 128 K 3.8970 8.0920 118.3814 59.9759 32.0940 178.3888 129 Q 4.1564 8.1771 116.5518 58.7129 28.8910 178.3472 130 A 4.1982 8.1177 121.9370 55.1064 18.3286 180.3677 131 F 3.7073 8.2878 113.2373 58.6137 39.1031 177.0581 *133 D 4.5689 8.0372 120.5400 54.4804 42.6726 178.1809 134 K 3.9687 7.9672 117.0479 59.5603 32.2693 178.5632 135 I 3.8464 8.1769 121.3073 64.9687 37.2320 178.3367 136 K 4.0772 8.2900 122.6339 57.9599 31.7934 179.1956 137 K 4.1970 7.7991 124.5911 54.7859 31.4913 178.2892 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 6 R 8.25 4.25 0.00 1.85 1.84 0.00 3.22 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 7 Y 7.80 4.49 0.00 3.13 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 8 E 9.88 4.20 0.00 2.09 1.58 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 2.20 2.25 0.00 9 Y 7.96 5.13 0.00 2.92 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 10 I 8.66 4.94 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.03 1.04 0.00 0.00 11 V 9.01 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 0.76 0.00 0.00 0.94 0.00 0.00 12 I 8.98 4.65 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.96 0.00 0.00 13 G 9.52 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 0.00 0.00 0.00 14 S 9.10 4.87 0.00 3.79 3.83 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 15 E 7.80 4.47 0.00 1.97 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 2.29 1.93 0.00 16 A 8.48 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.99 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.86 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 0.00 0.00 0.00 19 V 8.19 3.65 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.98 0.00 0.00 20 G 8.14 3.58 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 0.00 0.00 0.00 21 L 7.91 3.94 0.00 1.82 1.64 0.88 0.54 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 22 V 7.71 3.43 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 0.35 0.00 0.00 0.84 0.00 0.00 23 R 7.56 3.94 0.00 2.06 1.98 0.00 3.23 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 1.77 1.67 0.00 24 E 8.16 3.95 0.00 2.11 1.88 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 2.27 2.33 0.00 25 L 8.07 3.95 0.00 1.73 1.61 0.58 -0.02 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 26 T 7.79 4.12 4.62 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 1.39 0.00 0.00 27 A 7.96 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.73 4.25 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 29 G 8.40 3.76 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 0.00 30 K 7.89 4.97 0.00 1.89 2.05 0.00 1.97 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.47 7.81 31 K 9.00 4.58 0.00 1.44 1.70 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.72 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.40 1.00 7.81 32 V 8.74 5.11 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 1.03 0.00 0.00 1.06 0.00 0.00 33 L 8.60 4.67 0.00 0.27 0.93 0.70 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.78 5.00 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 35 V 8.83 4.73 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 0.64 0.00 0.00 1.08 0.00 0.00 36 D 8.38 4.86 0.00 2.76 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 0.00 0.00 0.00 0.00 37 K 8.82 4.10 0.00 1.82 1.71 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 0.99 7.81 38 S 8.68 4.34 0.00 3.83 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 39 K 8.72 3.79 0.00 1.84 1.80 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.52 7.81 40 E 8.05 3.91 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 41 K 8.12 4.03 0.00 1.85 1.83 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.47 7.81 42 I 7.86 3.72 1.95 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 1.65 1.08 0.91 0.00 0.00 43 E 8.64 4.04 0.00 2.08 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 2.45 0.00 44 L 8.02 4.06 0.00 1.67 1.67 0.92 0.65 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 45 L 7.96 4.42 0.00 1.97 1.90 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.52 4.35 0.00 2.18 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 2.39 2.45 0.00 47 D 8.27 4.44 0.00 2.85 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 48 E 7.85 4.32 0.00 2.22 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 2.36 2.68 0.00 49 G 7.80 3.82 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 0.00 50 F 7.86 4.77 0.00 3.21 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 51 D 8.89 5.02 0.00 3.02 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 52 A 8.53 5.25 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 53 V 8.77 4.51 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 0.90 0.00 0.00 1.00 0.00 0.00 54 I 8.44 4.41 1.84 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 1.25 0.52 0.87 0.00 0.00 55 A 8.25 4.33 0.19 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 56 D 8.35 4.47 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.27 2.23 0.00 3.87 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 1.91 2.01 0.00 58 T 8.14 4.39 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 0.92 0.00 0.00 59 D 8.09 4.62 0.00 2.75 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 60 E 8.91 4.27 0.00 2.11 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 2.71 2.50 0.00 61 S 8.09 4.21 0.00 4.06 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 62 F 8.16 4.23 0.00 2.98 2.86 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 63 Y 7.54 4.07 0.00 3.23 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 64 R 7.98 4.08 0.00 1.95 2.00 0.00 3.18 0.00 0.00 3.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 65 S 7.58 4.29 0.00 4.00 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 66 L 6.67 4.32 0.00 1.67 1.59 0.68 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.41 4.59 0.00 2.63 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 68 L 8.27 4.48 0.00 1.74 1.67 0.94 1.03 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 69 E 8.05 4.02 0.00 1.99 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 2.13 0.00 70 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 71 V 7.01 3.86 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 0.99 0.00 0.00 1.05 0.00 0.00 72 S 8.72 4.33 0.00 2.97 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.48 5.02 1.51 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 0.00 0.00 0.00 74 V 9.11 4.70 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 1.00 0.00 0.00 0.97 0.00 0.00 75 L 9.41 5.04 0.00 1.62 1.59 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.83 4.77 1.89 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 1.31 0.77 0.94 0.00 0.00 77 T 8.82 4.49 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 1.23 0.00 0.00 78 G 8.22 3.86 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 79 S 8.51 4.50 0.00 3.98 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 80 D 7.77 4.80 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.72 4.53 0.00 2.83 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 82 E 8.39 4.09 0.00 2.18 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 2.47 2.36 0.00 83 F 8.78 4.41 0.00 3.09 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 84 N 8.70 4.34 0.00 3.23 3.06 0.00 0.00 6.69 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 85 L 8.25 3.67 0.00 1.37 1.66 0.02 0.32 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 86 K 7.88 3.89 0.00 1.94 1.76 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.61 7.81 87 I 7.59 3.84 1.91 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.93 0.00 0.00 88 L 8.10 3.88 0.00 1.85 1.85 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.27 3.89 0.00 1.89 1.79 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.45 7.81 90 A 8.07 3.98 1.54 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 0.00 0.00 91 L 7.94 3.04 0.00 1.19 1.60 0.20 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.19 4.23 0.00 1.82 1.92 0.00 3.29 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 93 S 7.92 4.24 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 6.91 4.15 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 0.89 0.00 0.00 1.13 0.00 0.00 95 S 7.69 4.60 0.00 3.81 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 96 D 8.57 4.78 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.49 3.59 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 0.62 0.00 0.00 0.96 0.00 0.00 98 Y 8.83 4.13 0.00 3.12 3.06 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 0.00 0.00 0.00 99 A 8.10 5.29 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.74 4.77 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.05 0.93 0.00 0.00 101 V 8.52 4.76 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 0.91 0.00 0.00 0.96 0.00 0.00 102 R 8.87 4.53 0.00 1.79 1.85 0.00 3.25 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 103 V 8.60 4.29 1.80 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 0.75 0.00 0.00 -0.18 0.00 0.00 104 S 9.94 4.11 0.00 3.95 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 0.00 105 S 8.11 4.59 0.00 3.96 3.86 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 0.00 106 P 0.00 4.25 0.00 2.19 2.09 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 107 K 8.09 4.07 0.00 1.92 1.97 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.57 7.81 108 K 8.12 4.41 0.00 2.08 2.29 0.00 1.99 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.50 7.81 109 K 7.95 3.91 0.00 1.85 1.83 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 110 E 8.23 3.97 0.00 2.14 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 2.39 2.55 0.00 111 E 8.24 4.26 0.00 2.14 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 2.67 2.17 0.00 112 F 8.25 3.90 0.00 3.20 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 0.00 113 E 8.45 3.99 0.00 2.18 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 2.35 2.60 0.00 114 E 8.51 4.00 0.00 1.99 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 2.33 2.54 0.00 115 A 7.72 4.32 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 0.00 116 G 7.79 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 0.00 117 A 7.86 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.23 4.42 0.00 1.57 2.18 0.00 0.00 6.83 9.04 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 0.00 119 L 7.50 4.81 0.00 1.54 1.50 1.09 0.85 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 0.00 120 V 8.40 4.59 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 0.65 0.00 0.00 0.93 0.00 0.00 121 V 8.71 4.15 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 0.96 0.00 0.00 0.92 0.00 0.00 122 L 8.24 4.58 0.00 1.72 1.54 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.70 3.56 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 1.10 0.00 0.00 0.95 0.00 0.00 124 A 7.91 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.07 4.27 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.02 3.98 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 0.00 127 V 8.17 3.59 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 1.22 0.00 0.00 1.04 0.00 0.00 128 K 8.09 3.90 0.00 1.84 2.07 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 129 Q 8.18 4.16 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 130 A 8.12 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 8.29 3.71 0.00 3.21 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 *133 D 8.04 4.57 0.00 2.88 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 0.00 134 K 7.97 3.97 0.00 1.83 1.81 0.00 1.47 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 135 I 8.18 3.85 1.92 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 1.22 0.68 0.94 0.00 0.00 136 K 8.29 4.08 0.00 1.77 1.73 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.01 7.81 137 K 7.80 4.20 0.00 1.80 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.