NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2833 8.1593 117.3739 63.5577 69.8364 173.9175 2 S 4.4779 8.3177 121.1779 55.8480 66.5361 173.4460 3 K 4.0248 9.1792 123.9363 59.6908 32.3272 179.9164 4 K 3.8800 8.0542 118.1466 59.5987 31.8200 178.8699 5 K 3.8448 7.6205 117.9680 59.3028 32.0526 177.8895 6 R 4.3192 7.5784 115.5256 56.7175 30.6006 177.9189 7 Q 4.2500 8.1453 119.5523 57.3514 28.5407 174.9949 8 R 3.7673 7.7791 118.0355 60.6644 29.5319 175.6808 9 G 3.9382 8.7406 110.9825 45.5128 0.0000 173.5537 10 S 4.2326 8.2374 113.9578 58.3490 63.7650 174.7763 11 R 4.2373 8.1368 125.8062 57.4238 29.2485 176.8153 12 T 4.2681 7.6496 105.0334 61.4458 69.6860 174.0955 13 H 4.4007 8.2755 117.6962 56.0272 26.8371 175.3108 14 G 3.8804 8.4350 102.7426 46.5174 0.0000 174.8941 15 G 3.9125 8.1351 106.2919 44.4289 0.0000 176.8088 16 G 3.7950 7.8411 106.8685 45.0085 0.0000 173.4612 17 S 4.1039 8.6649 115.5219 59.0494 62.6312 175.4148 18 H 4.4086 8.8650 121.2200 57.1960 28.3312 175.7682 19 K 4.1398 7.5944 118.9183 56.7446 31.9623 177.4520 20 N 4.3583 7.7499 117.4024 55.9993 39.2782 177.0956 21 R 4.3645 7.4669 117.8349 56.0684 29.0045 176.9540 22 R 4.5943 7.0913 122.9620 56.3833 30.4926 180.1862 23 G 4.0524 8.4154 117.4768 45.0153 0.0000 172.7196 24 A 4.3986 8.5820 121.7440 53.6406 18.2749 179.8930 25 G 3.6053 7.9751 104.9255 47.6910 0.0000 174.7004 26 H 4.6467 8.0053 117.4481 57.1685 30.0695 175.5575 27 R 4.4200 7.4956 116.8113 55.8443 31.0906 175.5124 28 G 3.8273 8.4049 105.9137 47.1772 0.0000 174.2672 29 G 4.0747 8.2194 105.8689 43.8524 0.0000 174.5932 30 R 4.0876 8.6307 120.1091 56.9905 31.8063 176.4579 31 G 3.7617 8.2040 113.3208 47.5013 0.0000 173.3212 32 D 4.7115 8.6602 123.5118 53.8558 40.5626 175.4282 33 A 4.1176 7.5404 123.0472 54.1337 18.6433 179.0653 34 G 3.7746 9.0117 110.6859 45.1463 0.0000 175.0504 35 R 3.9114 7.9971 116.2116 57.0606 29.2758 177.4268 36 D 4.9621 7.9238 115.6554 52.6348 42.2824 176.2204 37 K 4.2219 8.4791 117.7250 57.1315 32.7909 176.5638 38 H 4.6159 9.3578 124.8315 57.9343 30.0432 176.0718 39 E 4.7551 7.5966 120.4218 55.6853 29.9813 177.6505 40 F 4.9045 8.0977 115.1196 59.2025 38.7616 175.3982 41 H 3.7352 6.6155 117.0470 57.4214 28.6483 174.2709 42 N 4.2653 8.9008 120.5749 54.8122 35.8373 173.7142 43 H 4.8684 7.8274 113.1416 53.5070 31.9210 173.9673 44 E 4.0539 8.8729 123.9270 55.5930 29.8542 175.0803 45 P 4.3766 0.0000 0.0000 63.0144 31.5991 175.5213 46 L 4.3168 8.5272 118.1945 54.1133 42.6341 175.8901 47 G 4.2811 7.9482 105.9480 43.4039 0.0000 173.0160 48 K 4.6175 7.9848 119.3644 54.8578 34.2378 176.4789 49 S 4.4452 8.3278 114.8578 58.0540 65.6088 175.5141 50 G 4.0008 9.2090 117.2161 45.6727 0.0000 171.0001 51 F 4.9482 8.3674 114.3143 55.9180 40.8411 173.1822 52 K 4.2432 8.1970 118.3830 54.5771 35.6245 176.3660 53 R 4.5177 8.0062 120.9043 53.8499 31.6698 174.7313 54 P 4.2610 0.0000 0.0000 63.3213 31.3367 176.9851 55 Q 3.9032 8.9642 120.3672 59.0870 28.7422 178.5372 56 K 4.4728 7.9525 113.9053 56.8248 32.7014 176.9365 57 V 4.2885 7.9256 116.9325 62.9190 31.9775 174.8894 58 Q 4.5648 7.5268 116.3901 54.6742 30.0732 174.7065 59 E 4.4921 8.5853 121.4524 54.4135 31.7189 174.8302 60 E 4.4536 8.4034 124.1246 54.2296 31.6249 174.3214 61 A 3.9737 8.2446 129.3530 51.1868 19.9041 176.3386 62 A 4.3996 9.1232 125.7142 51.2012 19.7046 176.7536 63 T 5.4372 8.0536 111.6563 60.6369 71.7430 173.9080 64 I 4.3047 7.7397 118.9185 60.3108 41.5482 172.5382 65 D 5.2407 8.5380 128.5635 53.3604 42.3484 177.7126 66 V 3.6469 8.6902 116.6674 65.0139 31.5948 178.7927 67 R 3.9683 7.8708 117.6120 59.5269 29.5073 178.2405 68 E 3.8808 8.3353 118.4140 59.4512 30.0665 178.2395 69 I 3.7400 7.7770 119.2667 64.6030 37.0980 177.3336 70 D 4.3444 8.6607 118.6497 57.7892 40.9100 178.5250 71 E 4.2247 8.2036 116.5939 58.1089 29.5341 177.2083 72 N 5.0086 7.9817 116.4203 52.8563 40.0273 176.9921 73 V 3.3507 7.5266 113.1191 64.7377 31.7912 178.6652 74 T 3.8663 7.6743 108.2995 64.8586 68.3401 175.4271 75 L 4.0885 7.2411 120.1791 56.8503 41.9416 177.2541 76 L 4.4101 7.8121 120.0868 53.7183 41.5000 178.2892 77 A 3.9881 8.1257 122.5472 55.3213 18.7324 178.1473 78 A 4.4845 7.7220 117.8894 51.8772 18.9461 177.4322 79 D 4.5460 8.2715 119.4890 56.0676 45.7482 176.3046 80 D 4.2443 7.5888 122.1682 49.0917 41.7929 175.4900 81 V 4.5092 8.2816 120.9195 61.2657 34.3250 174.8311 82 A 4.2373 8.1369 132.4319 51.7899 20.5679 176.7215 83 E 3.7872 8.9429 109.5590 59.3310 30.1571 173.8798 *89 F 4.6125 7.7611 114.2802 57.9469 41.1035 174.1398 90 R 5.1895 8.6610 119.9175 54.7889 32.6342 174.7676 91 V 4.4670 8.7100 126.0452 59.8639 34.9149 174.5710 92 D 4.7586 8.7987 124.7808 53.0948 40.9014 176.2585 93 V 3.6061 8.6066 128.3692 66.3699 31.5911 178.3366 94 R 3.4404 7.7354 117.0119 59.3424 29.8867 177.8720 95 D 4.5924 8.0632 116.2632 55.1646 41.1776 178.2584 96 V 3.9233 8.2574 119.8513 64.0427 32.3513 176.3808 97 V 3.6422 7.2372 117.0792 62.8759 31.6863 175.4132 98 E 4.1981 8.5687 126.1040 57.1248 30.3947 176.9424 99 E 4.2391 9.0640 117.2606 57.3183 26.8589 175.5516 100 A 4.4117 7.5170 119.4929 52.8652 18.6348 178.0786 101 D 4.7387 7.9568 118.0645 56.9015 42.0319 178.2481 102 D 4.5728 7.9796 116.2890 53.2876 39.3850 174.8779 103 A 4.7482 7.5463 122.5665 50.7179 20.9113 178.2804 104 D 4.2324 8.7754 121.7881 55.7975 41.7473 175.4783 105 Y 4.6781 6.3279 117.2232 57.2155 41.6580 171.9973 106 V 4.8338 8.6374 120.5875 61.1420 33.9572 174.2803 107 K 4.7748 9.2513 128.8005 54.5859 35.2327 174.6724 108 V 4.4995 8.3102 127.8385 61.8852 33.0258 174.5747 109 L 4.6698 9.2433 128.0048 52.2969 44.6174 176.8788 110 G 4.2001 8.2553 109.4334 45.5728 0.0000 173.5238 111 A 4.5825 8.0562 120.4228 51.7519 21.5295 179.3280 112 G 3.9616 8.9122 108.4250 44.3318 0.0000 172.1111 113 Q 4.5447 8.1837 117.3121 54.0752 31.3998 175.3344 114 V 4.3073 7.9492 117.4119 61.8604 32.9154 174.7735 115 R 4.4115 8.7402 125.2158 56.2794 30.2980 175.7485 116 H 5.2663 7.6468 113.4138 53.5871 33.0280 172.7669 117 E 5.0783 8.8127 118.1091 55.2941 30.3705 175.8192 118 L 5.1407 8.6197 123.8804 53.0355 46.1451 175.7146 119 T 4.9342 8.9030 119.5833 62.1483 70.7119 172.9423 120 L 5.3181 8.8200 127.4647 52.9712 44.5408 175.8184 121 I 5.4382 8.6715 123.7479 59.0128 39.6678 174.7039 122 A 4.7416 8.5981 127.3400 50.8585 22.3159 175.9812 123 D 4.3583 8.5900 117.8276 57.1175 41.9762 176.4822 124 D 4.6786 7.2071 115.3540 53.5019 44.4621 174.1634 125 F 5.5642 9.0125 120.5391 55.1038 43.4952 174.1446 126 S 4.6932 8.6663 115.1858 57.3055 65.3288 174.5795 127 E 4.0197 9.2136 120.7713 60.0621 29.2197 179.7767 128 G 3.8150 8.2870 104.4241 48.0670 0.0000 175.0965 129 A 4.0686 7.8226 122.4909 55.0725 18.3673 179.7846 130 R 3.7713 8.0855 116.4708 59.3792 30.1496 178.7696 131 E 3.9361 8.3385 118.2280 59.6751 29.3717 179.8776 132 K 3.9226 8.0386 117.8978 59.6863 32.3496 179.6241 133 V 3.6125 7.9790 118.3677 65.9800 31.3536 177.8597 134 E 4.8946 8.0356 120.1397 58.4643 29.2987 179.1437 135 G 3.7636 8.4684 104.6717 46.5416 0.0000 173.6962 136 A 4.6142 7.7550 123.9921 51.7795 19.6413 176.9405 137 G 3.9162 8.1407 105.0456 48.6312 0.0000 173.7441 138 G 4.7998 7.9736 104.2640 42.9099 0.0000 172.2047 139 S 5.0931 9.0372 113.3463 56.2810 66.8982 173.2421 140 V 4.5318 8.1553 120.1832 61.1882 33.8139 174.1998 141 E 4.6159 9.4187 128.1240 54.5449 31.7625 174.7789 142 L 5.0053 8.4326 126.8176 54.3312 43.1627 176.3840 143 T 4.1514 8.8525 123.4555 63.6232 69.6512 175.1503 144 D 4.3670 8.7306 121.4697 57.3776 41.1245 179.0579 145 L 3.9930 7.9816 120.2703 57.7786 42.4587 178.0907 146 G 3.7954 7.8076 107.2736 47.1005 0.0000 174.7122 147 E 4.4021 7.8361 120.1833 56.9410 29.2579 176.9950 148 E 4.7933 8.4581 114.2529 56.2999 30.0818 178.5133 149 R 4.5587 7.4706 116.3963 52.0889 30.9362 176.1644 150 Q 4.3083 7.8916 121.4061 56.8578 29.3241 173.0757 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 T 8.16 4.28 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 1.20 0.00 0.00 2 S 8.32 4.48 0.00 4.09 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 3 K 9.18 4.02 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.05 3.88 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.62 3.84 0.00 1.69 2.06 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 6 R 7.58 4.32 0.00 1.94 1.93 0.00 3.20 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 7 Q 8.15 4.25 0.00 1.83 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.93 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 8 R 7.78 3.77 0.00 1.79 1.94 0.00 3.36 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 8.74 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 0.00 0.00 0.00 10 S 8.24 4.23 0.00 3.97 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 11 R 8.14 4.24 0.00 1.98 2.12 0.00 3.21 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 12 T 7.65 4.27 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 1.32 0.00 0.00 13 H 8.28 4.40 0.00 3.29 3.41 0.00 5.73 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 14 G 8.43 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 15 G 8.14 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 16 G 7.84 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 0.00 0.00 0.00 17 S 8.66 4.10 0.00 3.87 3.77 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 18 H 8.86 4.41 0.00 3.31 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.59 4.14 0.00 1.73 1.79 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.28 7.81 20 N 7.75 4.36 0.00 2.83 2.64 0.00 0.00 6.94 7.16 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 21 R 7.47 4.36 0.00 1.77 1.89 0.00 3.18 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 22 R 7.09 4.59 0.00 1.75 1.13 0.00 3.15 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 23 G 8.42 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 0.00 0.00 0.00 24 A 8.58 4.40 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 25 G 7.98 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.01 4.65 0.00 3.16 3.49 0.00 5.90 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.50 4.42 0.00 2.04 1.89 0.00 3.38 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 28 G 8.40 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 0.00 0.00 0.00 29 G 8.22 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 0.00 0.00 0.00 30 R 8.63 4.09 0.00 1.91 1.81 0.00 3.39 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.20 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 32 D 8.66 4.71 0.00 2.73 2.69 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 33 A 7.54 4.12 1.35 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 0.00 0.00 0.00 34 G 9.01 3.77 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 0.00 35 R 8.00 3.91 0.00 1.67 1.92 0.00 3.01 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 36 D 7.92 4.96 0.00 2.74 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 37 K 8.48 4.22 0.00 1.79 1.72 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.52 7.81 38 H 9.36 4.62 0.00 3.32 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.60 4.76 0.00 1.94 1.90 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 2.26 2.03 0.00 40 F 8.10 4.90 0.00 3.18 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 41 H 6.62 3.74 0.00 2.91 3.06 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.90 4.27 0.00 2.81 2.86 0.00 0.00 6.87 8.16 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 43 H 7.83 4.87 0.00 3.33 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.87 4.05 0.00 1.98 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 2.32 0.00 45 P 0.00 4.38 0.00 2.18 2.12 0.00 3.78 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 2.01 2.03 0.00 46 L 8.53 4.32 0.00 1.65 1.63 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.95 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 48 K 7.98 4.62 0.00 1.76 1.75 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.33 4.45 0.00 3.79 3.70 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 50 G 9.21 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 51 F 8.37 4.95 0.00 3.11 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 52 K 8.20 4.24 0.00 1.65 1.58 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.21 1.36 7.81 53 R 8.01 4.52 0.00 1.72 1.86 0.00 3.33 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.40 0.00 54 P 0.00 4.26 0.00 2.22 2.22 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 55 Q 8.96 3.90 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.95 4.47 0.00 1.86 1.89 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 7.93 4.29 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.53 4.56 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.37 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 59 E 8.59 4.49 0.00 1.93 1.78 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 2.48 2.28 0.00 60 E 8.40 4.45 0.00 1.93 1.70 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 2.16 2.19 0.00 61 A 8.24 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.12 4.40 1.24 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 63 T 8.05 5.44 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 1.19 0.00 0.00 64 I 7.74 4.30 1.85 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 1.19 0.93 0.00 0.00 65 D 8.54 5.24 0.00 2.64 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 66 V 8.69 3.65 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 0.84 0.00 0.00 1.00 0.00 0.00 67 R 7.87 3.97 0.00 1.91 2.03 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 68 E 8.34 3.88 0.00 1.95 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 2.31 2.33 0.00 69 I 7.78 3.74 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.90 0.00 0.00 70 D 8.66 4.34 0.00 2.80 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 71 E 8.20 4.22 0.00 1.96 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 0.00 2.34 2.66 0.00 72 N 7.98 5.01 0.00 2.67 2.70 0.00 0.00 6.83 6.96 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 73 V 7.53 3.35 0.67 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 0.47 0.00 0.00 0.29 0.00 0.00 74 T 7.67 3.87 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 1.17 0.00 0.00 75 L 7.24 4.09 0.00 1.86 1.76 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.81 4.41 0.00 1.83 1.79 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.13 3.99 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 78 A 7.72 4.48 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 79 D 8.27 4.55 0.00 2.77 2.61 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 0.00 0.00 0.00 0.00 80 D 7.59 4.24 0.00 3.01 2.66 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 0.00 0.00 0.00 0.00 81 V 8.28 4.51 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 0.36 0.00 0.00 0.95 0.00 0.00 82 A 8.14 4.24 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 83 E 8.94 3.79 0.00 1.99 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 2.25 1.95 0.00 *89 F 7.76 4.61 0.00 3.01 3.09 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 90 R 8.66 5.19 0.00 1.81 1.81 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.71 4.47 2.13 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 0.70 0.00 0.00 0.95 0.00 0.00 92 D 8.80 4.76 0.00 2.73 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 93 V 8.61 3.61 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 0.86 0.00 0.00 0.97 0.00 0.00 94 R 7.74 3.44 0.00 2.03 2.01 0.00 3.22 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 95 D 8.06 4.59 0.00 2.80 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 96 V 8.26 3.92 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 0.80 0.00 0.00 0.93 0.00 0.00 97 V 7.24 3.64 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.57 4.20 0.00 2.06 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 2.38 2.31 0.00 99 E 9.06 4.24 0.00 2.17 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 0.00 2.26 2.23 0.00 100 A 7.52 4.41 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 0.00 101 D 7.96 4.74 0.00 2.64 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 0.00 102 D 7.98 4.57 0.00 2.80 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 0.00 103 A 7.55 4.75 1.24 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 0.00 104 D 8.78 4.23 0.00 2.52 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.33 4.68 0.00 3.04 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 0.00 106 V 8.64 4.83 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 0.91 0.00 0.00 0.94 0.00 0.00 107 K 9.25 4.77 0.00 1.99 1.66 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.54 7.81 108 V 8.31 4.50 1.78 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 0.99 0.00 0.00 0.75 0.00 0.00 109 L 9.24 4.67 0.00 1.77 1.55 0.92 0.96 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 0.00 110 G 8.26 4.20 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 0.00 111 A 8.06 4.58 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 0.00 112 G 8.91 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 0.00 113 Q 8.18 4.54 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 114 V 7.95 4.31 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 0.97 0.00 0.00 0.95 0.00 0.00 115 R 8.74 4.41 0.00 1.60 1.81 0.00 3.11 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 116 H 7.65 5.27 0.00 3.07 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.81 5.08 0.00 2.03 2.26 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 2.32 2.29 0.00 118 L 8.62 5.14 0.00 1.63 1.62 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.90 4.93 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 1.23 0.00 0.00 120 L 8.82 5.32 0.00 1.82 1.86 1.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.67 5.44 1.94 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 1.18 2.18 0.98 0.00 0.00 122 A 8.60 4.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 4.36 0.00 2.84 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 0.00 124 D 7.21 4.68 0.00 2.47 2.28 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 0.00 125 F 9.01 5.56 0.00 2.78 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 0.00 126 S 8.67 4.69 0.00 3.93 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 0.00 127 E 9.21 4.02 0.00 2.05 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 2.42 2.42 0.00 128 G 8.29 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 0.00 129 A 7.82 4.07 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 0.00 130 R 8.09 3.77 0.00 2.03 1.93 0.00 3.14 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 131 E 8.34 3.94 0.00 2.01 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 2.34 2.52 0.00 132 K 8.04 3.92 0.00 2.02 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.70 7.81 133 V 7.98 3.61 2.07 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 1.10 0.00 0.00 1.05 0.00 0.00 134 E 8.04 4.89 0.00 2.02 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 2.33 0.00 135 G 8.47 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 0.00 136 A 7.75 4.61 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 0.00 137 G 8.14 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 0.00 138 G 7.97 4.80 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 0.00 0.00 0.00 139 S 9.04 5.09 0.00 3.80 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 0.00 140 V 8.16 4.53 1.67 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 -0.86 0.00 0.00 0.53 0.00 0.00 141 E 9.42 4.62 0.00 1.95 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 2.23 2.21 0.00 142 L 8.43 5.01 0.00 1.66 1.60 1.20 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.85 4.15 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 1.26 0.00 0.00 144 D 8.73 4.37 0.00 2.71 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 0.00 145 L 7.98 3.99 0.00 1.61 1.85 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.81 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 0.00 0.00 0.00 147 E 7.84 4.40 0.00 2.11 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 0.00 2.35 2.53 0.00 148 E 8.46 4.79 0.00 1.79 1.85 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 2.20 2.53 0.00 149 R 7.47 4.56 0.00 1.74 1.82 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 150 Q 7.89 4.31 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.