NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2526 8.1727 122.0621 56.3237 34.1356 173.8348 2 V 4.6874 8.2606 126.7682 61.0226 32.5706 174.6868 3 F 4.5300 9.4755 127.6510 57.0413 40.7863 174.7733 4 G 3.9848 8.4530 107.3136 44.7817 0.0000 174.6470 5 R 3.4854 8.7277 121.4395 60.0065 29.9455 179.6188 6 C 4.3805 8.0646 115.2690 59.6952 38.1994 175.5784 7 E 3.8929 8.0838 120.6995 59.1369 29.2132 178.5282 8 L 3.7224 8.3452 120.6217 57.9335 42.1277 178.5698 9 A 3.9518 7.8096 120.1322 55.2991 18.2987 179.5453 10 A 3.9237 8.0764 118.9240 55.1568 18.2348 179.6991 11 A 3.9704 7.7827 118.3824 55.6859 18.7805 179.5360 12 M 3.9930 8.2841 117.5181 58.1877 31.8230 178.9226 13 K 3.9531 7.9393 119.9946 59.4226 32.1866 178.8590 14 R 4.0876 7.9243 116.7942 57.9134 30.0397 176.6290 15 H 4.7093 7.6192 116.3755 55.3467 29.5281 173.9185 16 G 3.9601 7.7447 104.7692 46.7212 0.0000 175.8065 17 L 3.8325 7.5955 121.2697 55.8215 42.1502 175.7647 18 D 4.5728 7.9590 117.1746 55.5902 40.7841 174.9312 19 N 4.4823 9.0691 123.2633 53.8926 36.8229 173.5766 20 Y 4.2354 8.3000 120.8534 59.0238 38.7944 176.3785 21 R 3.3205 9.2778 125.5485 57.0928 27.6817 177.3579 22 G 3.6334 8.3236 105.2373 45.3239 0.0000 173.7282 23 Y 4.4438 7.6493 118.9982 56.0378 38.2541 175.6565 24 S 4.3586 8.5001 120.0393 57.8678 64.0322 175.0859 25 L 4.3436 8.8375 123.2802 58.3000 41.6838 179.5518 26 G 3.8464 8.2524 105.3453 48.0317 0.0000 175.0596 27 N 4.4895 7.9674 119.4478 55.9400 38.5419 177.5882 28 W 3.9708 7.8470 119.6822 59.6220 29.1930 178.6764 29 V 3.6645 8.1419 118.3871 66.0781 31.0046 177.3181 30 C 3.0011 8.4751 118.5079 58.9686 44.0560 175.3712 31 A 4.0243 8.1885 122.3453 55.2963 18.0274 179.5402 32 A 4.0791 7.9170 119.2216 54.8829 18.3598 179.7440 33 K 2.4800 7.5086 118.1711 59.3551 31.9857 178.8712 34 F 4.3262 7.3310 114.8457 59.1051 39.0503 177.3355 35 E 4.4210 8.0543 118.3155 58.1158 30.0422 177.2526 36 S 4.5301 7.7087 109.0850 56.6116 64.7308 173.2480 37 N 3.6386 8.5060 118.2197 55.0133 37.6104 174.2428 38 F 4.1022 7.8024 110.9899 57.9284 36.9645 174.0352 39 N 5.2564 7.9855 121.1827 52.3966 39.0867 176.0418 40 T 4.0945 8.9585 116.7938 63.8443 69.1629 175.6813 41 Q 4.4499 8.6741 119.9941 55.4855 29.6584 175.5564 42 A 4.2336 7.7765 122.1757 52.8405 19.3511 176.8287 43 T 4.9241 8.4201 111.9215 59.9658 71.9469 173.1442 44 N 4.9172 8.7097 122.2109 51.2714 42.4411 173.5495 45 R 4.3024 8.6848 124.8546 56.2072 31.2771 175.5000 46 N 5.0540 9.0076 124.0680 51.6593 40.8750 176.3636 47 T 3.9276 8.6277 110.3452 64.2651 68.8818 174.6928 48 D 4.6008 8.1033 120.0286 53.0912 39.7525 177.0792 49 G 3.9589 8.1510 109.5078 45.2410 0.0000 174.1917 50 S 4.6574 8.1006 114.5781 58.0737 65.3336 173.3222 51 T 5.0061 8.8205 116.5837 61.9026 72.0900 172.7065 52 D 5.4834 8.7828 125.2538 53.1155 43.0124 175.0877 53 Y 4.8587 9.1424 121.2528 57.3479 41.5997 177.0715 54 G 4.3007 8.8702 111.1339 44.5868 0.0000 174.0385 55 I 4.3756 8.2262 116.8798 62.7335 37.8945 176.4616 56 L 4.6136 7.9364 117.2851 53.5595 42.6308 176.3091 57 Q 3.4625 7.9675 116.7003 57.0948 26.5867 173.9593 58 I 4.2025 8.2773 119.3579 60.7166 39.2312 176.8353 59 N 5.3691 9.3611 126.3722 53.1554 39.7617 175.3703 60 S 4.9776 9.1784 122.6249 60.1429 63.4228 176.0078 *61 R 4.1775 9.3633 122.5901 58.7993 30.1188 183.6215 62 W 4.0770 8.2108 117.3806 57.1947 31.9376 178.2251 63 W 4.6677 8.3216 119.1364 57.8350 29.7906 173.7572 64 C 5.6026 7.9972 110.7312 53.3643 45.4037 171.8964 65 N 5.0507 8.7065 119.4377 52.1590 39.3776 174.6968 66 D 4.6693 8.6836 124.0393 52.3965 40.0988 176.9115 67 G 3.8892 8.1499 109.3862 47.1918 0.0000 175.0776 68 R 4.6000 9.1300 114.8993 55.5019 31.3160 179.4371 69 T 4.5055 7.6825 115.3919 61.7353 70.1831 171.7333 70 P 4.1969 0.0000 0.0000 63.8431 31.7814 176.7286 71 G 3.6702 8.6115 109.3097 46.3901 0.0000 173.3852 72 S 4.1622 7.5110 116.1343 58.2822 62.4730 175.1112 73 R 3.8615 8.2788 127.0567 57.0172 30.2653 172.4591 74 N 4.2309 8.0363 114.4478 55.0568 36.9954 174.9261 75 L 4.1729 8.5337 117.7810 57.4098 42.3460 178.1228 76 C 4.6659 8.5147 114.6077 56.0545 41.0132 173.3578 77 N 4.0683 7.9791 116.5185 53.1368 36.2210 173.6067 78 I 4.3883 8.1343 116.8029 59.0175 42.1645 171.5815 79 P 4.8848 0.0000 0.0000 62.5070 32.0990 178.0703 80 C 3.9769 8.6908 120.1108 59.9592 39.2499 176.5060 81 S 3.8168 7.8545 114.7049 60.6759 62.6393 175.7794 82 A 4.2146 8.1267 124.5992 53.9667 18.0596 178.3772 83 L 4.2583 7.7236 115.8059 55.3951 41.8533 177.3195 84 L 4.9317 7.2415 116.1782 53.6063 42.4955 176.7119 85 S 4.3227 7.2690 113.0188 58.3959 62.7488 174.4022 86 S 4.3307 8.5397 119.4145 60.5668 62.9433 174.1369 87 D 4.7477 8.2723 121.2466 53.0984 41.5494 176.3603 88 I 4.0735 8.2527 119.5093 61.5433 37.7213 177.4186 89 T 3.5144 7.5968 117.9649 67.1132 68.3119 175.9915 90 A 3.9229 7.8342 121.6941 55.2594 18.4851 179.6452 91 S 4.0195 7.8995 113.0999 61.8000 63.0651 176.9682 92 V 3.2728 7.9138 121.2300 66.0087 31.3700 177.8164 93 N 4.2348 8.2158 116.1431 55.9175 38.3365 176.6563 94 C 4.3429 8.1779 120.1286 59.3173 44.9342 175.2804 95 A 4.0186 8.0025 122.4783 55.0860 17.6476 179.6688 96 K 3.8006 7.4963 118.1600 60.2368 31.9260 180.0509 97 K 4.2558 7.5631 122.6680 59.5145 31.5138 181.3499 98 I 3.0483 7.3680 120.0882 64.4335 36.9240 178.5854 99 V 4.0913 7.8885 110.5639 63.0300 31.4063 177.2991 100 S 4.5683 7.6234 114.5296 60.1517 63.4727 175.3213 101 D 4.5728 8.0725 120.0812 57.4031 40.4896 177.5181 102 G 4.1124 7.7347 116.7591 46.6271 0.0000 173.3312 103 N 4.7047 7.8970 117.6505 51.0857 39.1325 181.4890 104 G 4.2060 7.7389 105.7509 47.1353 0.0000 174.7249 105 M 4.1756 7.7467 121.7079 55.4410 32.0369 177.5824 106 N 4.7523 7.8602 116.8761 55.6463 38.8333 176.2840 107 A 3.8317 7.9236 120.2859 54.0144 18.6518 177.7030 108 W 4.4752 8.1975 116.7119 55.2723 29.4251 176.9494 109 V 3.6525 8.5053 124.6552 66.1932 30.8904 177.6182 110 A 4.0360 8.6479 120.3402 54.6584 18.1504 179.4003 111 W 3.9672 8.5332 126.7614 60.6480 30.6916 178.2244 112 R 3.5082 8.4027 114.7592 58.9331 28.8247 177.7503 113 N 4.5167 7.6716 115.2792 53.9088 39.1245 176.4970 114 R 4.0603 7.6890 117.8390 56.2694 32.3754 176.6053 115 C 4.4310 7.5752 115.6526 57.3221 41.1507 174.0693 116 K 3.2454 6.0313 119.1904 58.0792 31.7260 176.1786 117 G 3.8435 8.9513 113.3659 45.9029 0.0000 172.4270 118 T 4.6555 7.4898 110.0877 59.3757 71.8785 175.8564 *119 D 4.6881 8.2574 124.3409 55.0038 37.9537 176.9974 120 V 4.5762 8.1995 121.2553 63.6328 32.1737 178.1393 121 Q 4.2114 8.2261 120.4485 59.8369 28.0553 183.6093 122 A 4.2088 7.8935 120.5398 55.1700 18.0918 179.5235 123 W 4.3507 8.0538 116.7259 58.5263 29.4024 176.9741 124 I 4.4704 7.7740 113.7053 60.9224 37.5046 175.9843 *125 R 4.0728 7.6811 120.0769 57.5419 29.6595 181.2840 126 G 4.0020 8.9037 109.8793 45.0952 0.0000 173.7475 127 C 4.6737 7.6189 117.9371 56.3024 42.0004 175.3050 *128 R 4.3003 8.1929 123.1256 55.4139 28.3833 175.4735 129 L 4.2765 7.5547 123.9366 55.3163 41.7280 177.7671 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 K 8.17 4.25 0.00 1.81 1.77 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.21 7.81 2 V 8.26 4.69 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 0.96 0.00 0.00 0.99 0.00 0.00 3 F 9.48 4.53 0.00 2.85 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 4 G 8.45 3.98 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 0.00 0.00 0.00 5 R 8.73 3.49 0.00 2.01 2.01 0.00 3.58 0.00 0.00 3.67 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 6 C 8.06 4.38 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.08 3.89 0.00 2.04 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 2.75 2.45 0.00 8 L 8.35 3.72 0.00 1.48 1.49 0.34 0.96 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 9 A 7.81 3.95 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.08 3.92 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 A 7.78 3.97 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 12 M 8.28 3.99 0.00 1.83 2.14 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.32 0.00 13 K 7.94 3.95 0.00 1.98 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 14 R 7.92 4.09 0.00 1.97 1.86 0.00 3.16 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 15 H 7.62 4.71 0.00 2.96 3.14 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.74 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 17 L 7.60 3.83 0.00 1.58 1.12 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.96 4.57 0.00 2.67 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 19 N 9.07 4.48 0.00 3.02 2.97 0.00 0.00 6.31 7.25 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 20 Y 8.30 4.24 0.00 3.25 3.10 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 21 R 9.28 3.32 0.00 2.29 1.89 0.00 3.38 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 22 G 8.32 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.65 4.44 0.00 3.40 2.47 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 24 S 8.50 4.36 0.00 4.09 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.84 4.34 0.00 2.06 1.83 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.25 3.85 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 0.00 0.00 0.00 27 N 7.97 4.49 0.00 2.66 2.48 0.00 0.00 7.10 7.53 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 28 W 7.85 3.97 0.00 3.48 3.02 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 29 V 8.14 3.66 2.34 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 1.16 0.00 0.00 1.11 0.00 0.00 30 C 8.48 3.00 0.00 2.59 3.13 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 31 A 8.19 4.02 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 0.00 0.00 0.00 0.00 0.00 32 A 7.92 4.08 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 33 K 7.51 2.48 0.00 0.86 1.02 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.89 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.33 0.21 7.81 34 F 7.33 4.33 0.00 3.03 3.03 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 35 E 8.05 4.42 0.00 2.05 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 2.62 2.61 0.00 36 S 7.71 4.53 0.00 4.12 4.15 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 37 N 8.51 3.64 0.00 2.74 2.84 0.00 0.00 7.15 7.02 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 38 F 7.80 4.10 0.00 3.36 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 39 N 7.99 5.26 0.00 2.82 2.82 0.00 0.00 6.97 7.21 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 40 T 8.96 4.09 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 41 Q 8.67 4.45 0.00 2.46 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 42 A 7.78 4.23 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 43 T 8.42 4.92 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 1.35 0.00 0.00 44 N 8.71 4.92 0.00 2.74 2.68 0.00 0.00 6.31 7.44 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 45 R 8.68 4.30 0.00 1.76 1.80 0.00 3.26 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 46 N 9.01 5.05 0.00 2.95 2.73 0.00 0.00 6.44 7.14 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 47 T 8.63 3.93 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 48 D 8.10 4.60 0.00 2.81 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 49 G 8.15 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 50 S 8.10 4.66 0.00 3.97 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 51 T 8.82 5.01 4.15 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 0.55 0.00 0.00 52 D 8.78 5.48 0.00 2.70 2.68 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 0.00 0.00 0.00 0.00 53 Y 9.14 4.86 0.00 2.93 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 54 G 8.87 4.30 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 0.00 55 I 8.23 4.38 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.67 0.83 0.00 0.00 56 L 7.94 4.61 0.00 1.76 1.92 0.76 0.84 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 57 Q 7.97 3.46 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 58 I 8.28 4.20 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 1.09 0.00 0.00 59 N 9.36 5.37 0.00 3.05 3.06 0.00 0.00 7.45 7.72 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 60 S 9.18 4.98 0.00 4.06 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 0.00 *61 R 9.36 4.18 0.00 1.48 1.97 0.00 3.21 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 62 W 8.21 4.08 0.00 2.11 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 0.00 0.00 0.00 0.00 63 W 8.32 4.67 0.00 3.62 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 64 C 8.00 5.60 0.00 3.24 3.20 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 65 N 8.71 5.05 0.00 2.70 2.68 0.00 0.00 7.16 7.79 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 66 D 8.68 4.67 0.00 2.77 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 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 68 R 9.13 4.60 0.00 1.73 1.73 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 69 T 7.68 4.51 4.30 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 1.17 0.00 0.00 70 P 0.00 4.20 0.00 1.97 1.94 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 71 G 8.61 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 72 S 7.51 4.16 0.00 3.97 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.28 3.86 0.00 1.88 1.83 0.00 3.47 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 74 N 8.04 4.23 0.00 2.84 2.74 0.00 0.00 7.25 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 75 L 8.53 4.17 0.00 1.77 1.91 0.32 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.51 4.67 0.00 3.33 3.19 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 77 N 7.98 4.07 0.00 3.10 2.82 0.00 0.00 6.64 6.77 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 78 I 8.13 4.39 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 1.33 1.08 0.96 0.00 0.00 79 P 0.00 4.88 0.00 2.20 2.12 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 80 C 8.69 3.98 0.00 2.17 1.75 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 81 S 7.85 3.82 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.13 4.21 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 83 L 7.72 4.26 0.00 1.81 1.78 0.98 1.06 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 84 L 7.24 4.93 0.00 1.72 1.76 1.08 1.07 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 85 S 7.27 4.32 0.00 3.97 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.54 4.33 0.00 3.94 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 87 D 8.27 4.75 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.25 4.07 1.66 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 0.57 0.00 0.00 89 T 7.60 3.51 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 1.12 0.00 0.00 90 A 7.83 3.92 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 91 S 7.90 4.02 0.00 3.93 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 92 V 7.91 3.27 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 0.68 0.00 0.00 0.70 0.00 0.00 93 N 8.22 4.23 0.00 2.78 2.76 0.00 0.00 6.67 7.21 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 94 C 8.18 4.34 0.00 3.08 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.00 4.02 1.25 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 0.00 0.00 96 K 7.50 3.80 0.00 1.70 1.54 0.00 1.49 0.00 0.00 1.11 0.00 0.00 2.48 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 1.10 7.81 97 K 7.56 4.26 0.00 1.85 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 98 I 7.37 3.05 1.75 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.44 -0.15 0.00 0.00 99 V 7.89 4.09 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 0.98 0.00 0.00 1.48 0.00 0.00 100 S 7.62 4.57 0.00 4.16 4.01 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 0.00 101 D 8.07 4.57 0.00 2.82 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 0.00 102 G 7.73 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 0.00 103 N 7.90 4.70 0.00 2.66 2.80 0.00 0.00 6.75 7.48 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 0.00 104 G 7.74 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 0.00 0.00 0.00 105 M 7.75 4.18 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.01 0.00 106 N 7.86 4.75 0.00 2.99 3.00 0.00 0.00 6.87 7.11 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 0.00 107 A 7.92 3.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.20 4.48 0.00 3.63 3.32 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 0.00 109 V 8.51 3.65 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 1.09 0.00 0.00 0.97 0.00 0.00 110 A 8.65 4.04 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.53 3.97 0.00 3.38 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 0.00 112 R 8.40 3.51 0.00 2.09 2.43 0.00 3.13 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.66 0.00 113 N 7.67 4.52 0.00 2.58 2.80 0.00 0.00 6.85 7.55 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 0.00 114 R 7.69 4.06 0.00 0.84 0.66 0.00 2.98 0.00 0.00 2.99 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.00 115 C 7.58 4.43 0.00 2.01 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 0.00 116 K 6.03 3.25 0.00 0.79 1.31 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.05 7.81 117 G 8.95 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 0.00 118 T 7.49 4.66 4.27 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 1.21 0.00 0.00 *119 D 8.26 4.69 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.20 4.58 2.38 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 0.88 0.00 0.00 1.09 0.00 0.00 121 Q 8.23 4.21 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.00 0.00 122 A 7.89 4.21 1.14 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 0.00 0.00 123 W 8.05 4.35 0.00 3.58 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 0.00 124 I 7.77 4.47 1.95 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 1.42 1.02 1.05 0.00 0.00 *125 R 7.68 4.07 0.00 1.89 1.76 0.00 3.31 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 126 G 8.90 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 0.00 0.00 0.00 127 C 7.62 4.67 0.00 3.18 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 *128 R 8.19 4.30 0.00 1.83 1.76 0.00 3.26 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.00 129 L 7.55 4.28 0.00 1.65 1.62 0.96 0.94 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 * Residues marked with a * may have inaccurate shift predictions.