NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8846 8.1400 114.7988 57.7816 64.6804 173.9552 2 L 4.0108 8.7316 124.4522 58.4694 41.7483 178.2988 3 L 4.0675 8.7747 119.8014 57.8294 41.9623 178.7808 4 E 4.0362 8.1370 118.1702 59.3108 29.3101 179.0297 5 F 4.6506 8.8524 121.2737 61.5053 39.4733 177.4271 6 G 3.5241 8.4709 105.4431 47.6250 0.0000 175.6340 7 K 4.0312 8.2237 122.1048 59.3577 32.2385 178.6062 8 M 4.3202 8.4726 118.7757 58.7307 32.0879 178.1955 9 I 3.6358 7.9768 120.2844 64.3038 37.1844 178.1568 10 L 4.3904 7.8564 122.3093 57.7717 41.7173 178.7203 11 E 3.9710 8.2728 117.6586 59.4500 29.4722 178.8121 12 E 4.1195 8.2357 118.4517 58.9190 29.9161 177.9721 13 T 4.4472 8.3179 107.4000 61.0522 70.4182 175.5986 14 G 3.8240 8.3236 110.4782 45.3414 0.0000 173.1368 *16 K 4.2350 7.5203 117.7868 55.8930 33.4592 175.0883 17 L 4.2719 8.1967 122.6163 54.3937 42.5650 177.7252 18 A 4.0142 8.9463 126.7964 54.9016 18.4792 177.1035 19 I 4.5688 7.6648 116.4909 59.4852 38.0347 173.7134 20 P 5.0748 0.0000 0.0000 61.7463 31.8465 176.4474 21 S 4.2212 7.9484 115.9795 61.0681 62.6962 174.6880 22 Y 4.7205 8.4116 114.3959 57.3960 39.4503 176.2212 23 S 4.6511 8.1747 115.9994 59.8958 64.0373 175.4677 24 S 4.9892 7.8294 115.8781 58.0856 63.6517 172.2313 25 Y 4.7745 8.5122 122.4307 58.3591 40.1369 175.4761 26 G 3.4785 8.1594 116.3896 46.7799 0.0000 173.0879 27 C 4.5522 9.3984 115.7265 57.9805 40.8986 174.5208 28 Y 4.5133 8.4986 114.4704 57.3948 39.8729 174.9887 29 C 4.7550 8.5119 118.6011 57.2467 41.0950 175.5434 30 G 4.4776 9.9146 111.0053 46.6754 0.0000 172.9359 31 W 4.7833 8.3541 128.8298 58.4296 38.5787 174.7714 32 G 4.1124 7.6709 104.5454 45.5139 0.0000 173.6649 33 G 4.2790 8.0844 103.6270 45.6392 0.0000 172.4782 34 S 4.6378 7.5111 112.6202 57.0921 65.9027 173.9054 35 G 4.4770 9.2646 107.4137 45.1631 0.0000 173.1121 36 T 4.2348 7.9990 115.4797 61.6825 69.0560 173.6293 37 P 4.6470 0.0000 0.0000 62.9418 31.9314 176.8409 38 K 3.7655 8.7345 121.4090 59.1646 32.2275 176.8511 39 D 4.4205 7.6014 116.3436 51.1140 42.8203 175.9504 40 A 3.9910 8.5229 120.9762 56.0064 17.9314 179.7868 41 T 4.0201 8.1086 113.2858 67.0727 68.5185 176.1667 42 D 4.6156 8.9402 120.0481 57.5124 41.1488 178.5010 43 R 3.9403 8.3310 118.8982 59.2010 29.9737 178.1714 44 C 4.1682 8.3823 116.5592 60.4545 39.5067 175.6719 45 C 4.3541 8.2051 117.9307 59.6883 41.0007 175.7666 46 F 3.6061 8.5254 122.6866 61.3326 38.8470 177.4423 47 V 3.4675 8.0695 117.8678 66.1060 31.2321 177.4239 48 H 3.8560 8.2490 118.0842 59.1360 29.5913 176.9757 49 D 4.1274 8.1630 120.9885 57.5753 40.6924 178.1358 50 C 4.0564 7.8211 116.9520 59.9232 39.8727 175.4149 51 C 4.1229 7.9282 119.5006 59.9939 43.7050 174.9920 52 Y 4.3485 8.0198 118.5353 61.0311 37.1541 178.8283 53 G 3.5696 8.0467 105.9312 47.4967 0.0000 175.0314 54 N 4.6125 7.8875 117.1134 54.1714 39.8656 175.3880 55 L 4.7150 7.4703 120.4620 51.7621 41.4748 174.0513 56 P 4.1972 0.0000 0.0000 65.6225 32.1195 178.3911 *59 D 4.6839 7.8437 114.3940 54.3290 42.6203 175.5141 *61 C 5.2665 7.5597 116.1983 57.2871 42.9312 172.8057 *67 N 4.7496 7.9466 116.2456 52.7677 38.5765 173.6891 68 P 4.0616 0.0000 0.0000 64.9441 32.2213 179.3407 69 K 4.1086 8.1083 117.9879 58.5361 32.2055 178.5581 70 S 4.4494 7.7877 110.9934 58.6988 64.8691 173.9954 71 D 4.4189 8.0872 121.3616 53.8924 41.3356 175.4196 72 R 4.4742 8.4092 125.8516 55.0528 31.4660 175.0773 73 Y 4.9632 7.8148 119.1136 55.0185 41.1526 174.6541 74 K 5.0007 8.5630 118.9872 55.0522 35.2111 174.9465 75 Y 5.5033 8.2948 120.3209 55.7466 41.4569 173.3062 76 K 4.6784 9.2204 118.8026 55.3122 37.0312 174.7805 77 R 5.1278 8.5030 118.5884 54.4695 32.4837 176.0069 78 V 4.1071 8.9917 125.1800 62.1130 32.9762 176.2777 79 N 4.3061 8.4261 127.0339 54.7938 37.5956 177.5617 80 G 3.8440 8.9184 116.7365 47.0160 0.0000 173.4323 81 A 4.2306 8.2636 123.7401 51.9166 19.6448 176.6914 82 I 4.5801 8.3142 122.8907 60.6759 38.5262 175.5247 83 V 4.3459 8.9736 127.5328 60.9995 33.8620 173.9355 84 C 4.8745 8.8656 126.4194 57.1589 40.5545 173.5339 85 E 4.6491 9.0089 123.8940 54.7326 31.0838 176.1816 86 K 4.4115 7.9153 122.9345 55.8951 33.5354 175.4873 *88 G 4.2436 8.2982 115.0296 45.3202 0.0000 172.6621 89 T 4.2288 8.6922 114.8451 60.9924 71.0392 175.8380 90 S 4.0833 8.4812 116.3084 61.8610 62.8709 177.1436 91 C 4.2262 8.1412 119.6902 59.7613 39.8344 175.8015 92 E 4.0077 8.1579 120.0116 59.5011 28.9207 179.1510 93 N 4.2745 8.3376 116.5466 56.4816 38.6097 177.7663 94 R 3.9768 7.9925 119.3709 59.0784 30.1709 179.0782 95 I 3.6142 8.0593 120.0936 64.4710 37.1070 177.4711 96 C 2.9040 7.9675 119.3965 59.4728 40.2627 175.5615 97 E 3.7917 7.9452 119.9335 59.4323 28.9728 178.7645 98 C 4.1697 8.0290 116.6085 60.0371 40.8052 175.9547 99 D 3.7862 7.9358 120.3930 56.9217 40.3586 178.4349 100 K 3.6655 8.1585 120.3734 59.5881 32.0391 178.4613 101 A 3.8489 7.7930 120.4500 55.1147 18.2792 179.4499 102 A 3.4694 7.7464 118.9424 54.9929 18.3753 179.7281 103 A 3.8730 8.1137 119.4179 55.3123 18.3864 179.8933 104 I 3.6037 7.7812 118.3947 64.6121 37.0350 177.7950 105 C 4.1735 8.2983 119.6050 59.7081 38.5568 175.5806 106 F 4.4587 8.1061 119.7288 60.6844 38.2307 177.5973 107 R 3.9381 7.8671 117.1847 59.5506 30.0246 178.1699 108 Q 4.1230 8.3720 117.9008 58.1831 28.7394 176.6786 109 N 4.8836 7.7631 116.1302 54.1296 39.8258 177.1606 110 L 4.3088 7.9099 121.0416 57.7731 41.4515 178.9711 111 N 4.5216 8.3173 115.2607 55.0019 37.3755 175.3866 112 T 4.5946 9.0757 107.2935 60.8829 69.9128 173.4702 113 Y 4.1307 7.8617 124.2513 58.3986 39.4372 174.9974 114 S 4.5693 8.8314 120.7835 56.0901 65.0182 174.8642 115 K 4.1001 8.8920 127.5656 59.1361 32.0475 179.0663 116 K 3.8293 7.7659 116.8212 59.2588 32.4838 177.0030 117 Y 4.4241 7.3476 116.2795 58.1331 38.1942 175.3390 118 M 4.4128 7.6901 120.9109 56.3297 32.4789 175.9721 119 L 3.6848 8.2982 121.0535 55.6876 39.9643 174.4814 120 Y 4.1592 8.1595 119.2315 56.8063 39.6461 173.5598 121 P 4.3979 0.0000 0.0000 62.2110 32.5524 176.5014 122 D 4.2766 8.9627 121.5455 57.3567 41.1613 178.1082 *124 F 4.7573 7.8432 111.3630 56.5728 39.5695 175.3271 125 L 3.7858 6.7987 119.1134 54.8127 41.2342 176.0224 126 C 4.9029 8.0416 117.2884 55.0130 40.3817 173.3482 127 K 4.6912 8.4003 123.4043 55.4275 35.7547 177.2021 128 G 4.2915 8.8875 107.5279 45.8078 0.0000 172.3467 129 E 4.7126 8.2911 119.5823 54.7835 30.8578 175.8450 130 L 4.6900 8.3737 123.5090 52.9419 44.1966 176.2052 131 K 4.1486 8.4787 125.8923 56.5239 32.9616 177.9820 *133 C 4.9202 8.5573 118.3490 57.5043 41.5377 173.7684 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 S 8.14 4.88 0.00 4.14 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 2 L 8.73 4.01 0.00 1.93 1.85 1.21 0.59 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 3 L 8.77 4.07 0.00 1.76 1.74 0.95 1.00 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 4 E 8.14 4.04 0.00 2.04 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 2.26 2.24 0.00 5 F 8.85 4.65 0.00 3.40 3.38 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 6 G 8.47 3.52 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 0.00 0.00 0.00 7 K 8.22 4.03 0.00 1.91 2.08 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 8 M 8.47 4.32 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 9 I 7.98 3.64 1.83 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.16 0.65 0.00 0.00 10 L 7.86 4.39 0.00 1.77 1.82 0.95 0.61 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 11 E 8.27 3.97 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 2.41 2.60 0.00 12 E 8.24 4.12 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 13 T 8.32 4.45 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 1.30 0.00 0.00 14 G 8.32 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 *16 K 7.52 4.23 0.00 1.85 1.61 0.00 1.41 0.00 0.00 0.92 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.24 7.81 17 L 8.20 4.27 0.00 1.69 1.76 0.91 0.91 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 18 A 8.95 4.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.66 4.57 1.90 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 1.53 0.70 0.94 0.00 0.00 20 P 0.00 5.07 0.00 2.18 2.14 0.00 3.36 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 21 S 7.95 4.22 0.00 3.89 3.28 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 22 Y 8.41 4.72 0.00 2.68 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 23 S 8.17 4.65 0.00 4.10 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.83 4.99 0.00 4.02 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 25 Y 8.51 4.77 0.00 2.97 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 26 G 8.16 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.40 4.55 0.00 2.98 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 28 Y 8.50 4.51 0.00 3.40 3.23 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 29 C 8.51 4.75 0.00 3.53 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 9.91 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.35 4.78 0.00 3.32 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.67 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.08 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.51 4.64 0.00 4.11 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 35 G 9.26 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.00 4.23 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 1.15 0.00 0.00 37 P 0.00 4.65 0.00 1.94 2.04 0.00 3.47 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 38 K 8.73 3.77 0.00 0.79 0.74 0.00 1.66 0.00 0.00 1.40 0.00 0.00 2.73 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.92 0.21 7.81 39 D 7.60 4.42 0.00 2.87 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 40 A 8.52 3.99 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 41 T 8.11 4.02 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 42 D 8.94 4.62 0.00 3.00 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 43 R 8.33 3.94 0.00 2.08 1.95 0.00 3.11 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 44 C 8.38 4.17 0.00 3.29 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 45 C 8.21 4.35 0.00 3.37 3.51 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 46 F 8.53 3.61 0.00 2.56 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 47 V 8.07 3.47 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 1.06 0.00 0.00 48 H 8.25 3.86 0.00 3.12 3.28 0.00 5.65 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 49 D 8.16 4.13 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.82 4.06 0.00 2.92 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 51 C 7.93 4.12 0.00 2.95 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 52 Y 8.02 4.35 0.00 3.02 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 53 G 8.05 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.89 4.61 0.00 2.84 2.86 0.00 0.00 6.79 7.85 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 55 L 7.47 4.72 0.00 1.57 1.51 0.87 1.28 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 56 P 0.00 4.20 0.00 2.14 2.08 0.00 3.72 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 2.09 2.09 0.00 *59 D 7.84 4.68 0.00 2.74 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 *61 C 7.56 5.27 0.00 2.90 2.99 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 *67 N 7.95 4.75 0.00 2.73 2.77 0.00 0.00 7.62 8.03 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 68 P 0.00 4.06 0.00 1.06 0.73 0.00 3.33 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.40 0.00 69 K 8.11 4.11 0.00 1.83 1.90 0.00 1.66 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.43 7.81 70 S 7.79 4.45 0.00 3.94 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 71 D 8.09 4.42 0.00 2.74 2.64 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 0.00 0.00 0.00 0.00 72 R 8.41 4.47 0.00 1.80 1.87 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 73 Y 7.81 4.96 0.00 3.06 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 74 K 8.56 5.00 0.00 1.75 1.90 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.29 5.50 0.00 3.11 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 76 K 9.22 4.68 0.00 1.80 1.90 0.00 1.27 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.43 7.81 77 R 8.50 5.13 0.00 1.82 1.94 0.00 3.67 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 78 V 8.99 4.11 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 0.95 0.00 0.00 79 N 8.43 4.31 0.00 2.90 1.85 0.00 0.00 7.08 7.65 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 80 G 8.92 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 0.00 0.00 0.00 81 A 8.26 4.23 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 82 I 8.31 4.58 1.84 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 1.30 0.63 0.78 0.00 0.00 83 V 8.97 4.35 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.87 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.01 4.65 0.00 2.04 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 2.33 2.47 0.00 86 K 7.92 4.41 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.30 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 89 T 8.69 4.23 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 90 S 8.48 4.08 0.00 4.05 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 0.00 91 C 8.14 4.23 0.00 2.97 3.15 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 0.00 0.00 0.00 92 E 8.16 4.01 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 93 N 8.34 4.27 0.00 2.84 2.83 0.00 0.00 7.07 7.29 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 94 R 7.99 3.98 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 95 I 8.06 3.61 2.01 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 0.82 0.96 0.00 0.00 96 C 7.97 2.90 0.00 2.22 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 97 E 7.95 3.79 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 98 C 8.03 4.17 0.00 3.18 2.93 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 99 D 7.94 3.79 0.00 2.68 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 0.00 100 K 8.16 3.67 0.00 1.62 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.79 3.85 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 0.00 102 A 7.75 3.47 1.02 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 0.00 0.00 103 A 8.11 3.87 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 0.00 104 I 7.78 3.60 1.93 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 1.38 0.74 0.87 0.00 0.00 105 C 8.30 4.17 0.00 2.92 2.93 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 0.00 106 F 8.11 4.46 0.00 3.01 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 0.00 107 R 7.87 3.94 0.00 1.83 2.17 0.00 3.34 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 108 Q 8.37 4.12 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.76 4.88 0.00 2.94 2.94 0.00 0.00 6.81 6.63 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 0.00 110 L 7.91 4.31 0.00 1.78 1.75 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.32 4.52 0.00 2.87 3.00 0.00 0.00 5.80 7.71 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 0.00 112 T 9.08 4.59 4.33 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 1.27 0.00 0.00 113 Y 7.86 4.13 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.83 4.57 0.00 3.81 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.89 4.10 0.00 1.88 1.88 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.63 7.81 116 K 7.77 3.83 0.00 1.61 1.71 0.00 1.16 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.54 0.32 7.81 117 Y 7.35 4.42 0.00 1.74 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 0.00 0.00 0.00 118 M 7.69 4.41 0.00 2.06 2.15 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 2.80 2.66 0.00 119 L 8.30 3.68 0.00 1.81 1.75 0.92 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 0.00 120 Y 8.16 4.16 0.00 3.06 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 0.00 121 P 0.00 4.40 0.00 2.42 2.17 0.00 2.67 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.80 0.00 122 D 8.96 4.28 0.00 2.79 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 *124 F 7.84 4.76 0.00 3.24 3.15 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 0.00 0.00 0.00 125 L 6.80 3.79 0.00 1.07 1.50 0.42 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.04 4.90 0.00 3.04 3.22 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 0.00 127 K 8.40 4.69 0.00 1.78 1.67 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.39 7.81 128 G 8.89 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 0.00 129 E 8.29 4.71 0.00 2.01 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 2.32 2.27 0.00 130 L 8.37 4.69 0.00 1.59 1.58 0.51 0.23 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 0.00 131 K 8.48 4.15 0.00 1.90 1.74 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.49 7.81 *133 C 8.56 4.92 0.00 2.95 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.