NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9161 8.2133 109.7164 45.6033 0.0000 175.9158 2 D 4.0168 8.2694 118.5060 55.6943 41.5144 176.7688 3 L 3.1416 7.3897 120.7675 57.5300 42.5111 178.5861 4 K 3.8153 7.8038 118.3586 59.8259 32.3433 179.1830 5 K 3.3008 7.4063 119.6917 58.8367 31.8193 179.3471 6 V 3.2508 7.6336 118.7651 65.9254 31.3467 178.0795 7 L 3.9838 7.9849 118.9066 57.7845 41.2469 179.0889 8 N 4.3126 7.6567 115.1170 56.5636 38.8046 177.2060 9 F 4.8240 7.7096 120.5866 60.2799 38.6051 177.0709 10 H 4.5144 8.0401 118.5418 58.1606 29.5664 176.2950 11 F 4.9291 7.7267 116.0370 57.0378 39.3058 176.2984 12 S 4.6762 8.3771 113.0148 57.6671 64.4083 173.1097 13 Y 4.7213 7.8532 118.3082 56.0622 40.1086 175.6235 14 I 3.6906 8.9263 125.1289 63.9379 37.8579 176.1959 15 Y 4.6683 8.4020 119.9660 56.2591 40.5969 175.1339 16 T 4.8249 8.4241 120.3190 62.1509 71.5181 172.2896 17 Y 4.9768 8.9637 125.6793 56.3186 40.4607 174.8129 18 F 5.4197 9.4596 127.6165 56.9550 41.2370 174.0944 19 I 4.7859 8.8930 128.2809 59.6979 39.7006 174.9008 20 T 4.8535 8.2456 123.4798 61.6522 71.4333 173.2893 21 I 4.8134 8.5381 126.5337 59.7174 40.7697 174.6406 22 T 4.9192 8.8464 123.5110 61.7595 72.2187 173.1556 23 T 4.6423 8.2844 114.4699 59.3583 72.5981 173.5735 24 N 5.0267 8.2658 117.4182 52.3241 37.8022 174.0802 25 Y 4.8664 6.7105 114.4877 56.3514 40.7842 174.5786 26 K 4.2856 8.3777 119.3040 56.6019 33.6723 176.7625 27 Y 4.2488 7.5099 116.9807 57.6409 38.5056 174.4609 28 G 3.8915 8.6721 107.0973 44.7338 0.0000 173.7939 29 D 4.7185 8.4103 117.2909 52.0598 42.5058 175.8463 30 T 3.4811 8.1554 124.2159 65.8376 68.3949 176.2703 31 E 3.8399 8.0044 120.3856 59.2930 29.5668 178.9735 32 K 3.9545 7.9724 119.5332 59.4817 32.1506 178.7007 33 I 3.7712 7.9801 120.2886 64.6023 37.0951 178.3979 34 F 4.4410 8.1203 118.3411 60.5784 38.6641 177.6570 35 R 3.9517 8.4567 118.6293 59.6898 29.9150 178.7991 36 K 4.0557 8.5139 118.4919 59.2437 31.9946 179.1958 37 F 4.2169 8.7736 121.4213 61.5058 39.3981 177.4268 38 R 3.9665 8.7302 118.1103 59.3546 29.7429 179.3108 39 S 4.1766 8.4368 115.2643 61.5724 62.8370 175.8688 40 Y 4.0886 8.0775 122.2861 60.9568 38.3998 178.4968 41 I 2.9353 7.2306 120.4374 64.0614 37.1023 177.6351 42 Y 4.0472 8.3688 120.7678 61.0320 38.3689 178.2334 43 N 4.4048 8.2619 116.1766 56.2865 38.6434 176.6549 44 H 4.4159 7.7443 119.2725 57.9152 30.2237 175.0562 45 D 4.2081 7.8334 121.5652 53.1823 42.8783 175.7640 46 K 3.3172 8.2104 126.4763 57.8999 32.1892 177.8043 47 N 4.6497 8.0555 115.0475 53.4753 38.9142 175.4792 48 S 4.4134 7.6474 113.6458 58.6702 64.0169 173.3840 49 H 5.0297 8.6066 117.0389 54.0683 32.8158 172.8645 50 V 4.9873 8.5259 120.0642 61.3420 34.4659 174.0023 51 F 5.4182 9.6804 130.9386 56.5421 41.6642 174.2287 52 S 4.8502 8.0931 119.3133 56.5434 66.2706 173.2681 53 I 4.5260 8.4778 121.9911 59.4884 41.0726 173.9262 54 K 5.0994 8.8789 128.0605 54.9693 33.6190 174.9191 55 E 4.5287 9.1957 128.2766 55.2745 30.6618 175.5787 56 T 4.3016 8.3484 119.1390 60.2879 69.3853 172.9816 *60 S 4.4726 8.6524 123.5303 58.2825 64.0526 174.3525 61 N 4.5506 8.0890 116.0606 54.8822 37.9357 174.2642 62 G 4.4172 7.2758 102.9694 44.5013 0.0000 171.7080 63 L 4.5805 7.8620 118.9057 53.5547 44.3875 175.9057 64 H 4.8086 8.1800 120.4187 54.9767 32.9481 171.3677 65 Y 5.5802 8.8035 123.9226 56.5770 41.3809 174.6005 66 H 5.4186 9.1548 119.3867 54.1678 32.8720 172.8175 67 I 4.9258 8.9585 122.7270 59.6382 41.4297 173.9980 68 L 5.1695 9.2350 127.3411 53.1311 43.9772 175.5104 69 V 4.7332 8.7410 124.1433 61.1617 34.2146 173.9877 70 F 5.3381 8.9320 127.4780 56.2777 40.7848 174.8891 71 T 5.1592 9.1846 117.0862 61.5096 71.0893 173.4777 72 N 5.0781 9.5024 122.6023 52.8089 39.1744 174.9127 73 K 4.7423 7.9822 119.7922 53.9019 34.8429 176.0339 74 K 3.5760 8.6005 125.4021 56.4972 32.5245 176.5936 75 L 3.8603 7.9166 123.5454 54.2509 42.3061 176.8807 76 D 4.4176 8.4086 122.5573 53.4125 40.4206 176.0335 77 Y 4.4701 8.3196 126.3014 61.2447 37.9517 178.7908 78 S 4.1276 8.2920 114.6957 61.4722 62.9525 176.7955 79 R 3.8838 8.1477 121.6474 58.4933 29.5396 178.8748 80 V 3.8304 7.4067 117.7817 66.5917 31.6010 177.5264 81 H 4.2771 8.2170 114.0511 58.7146 28.7016 177.2843 82 K 3.9953 7.7633 120.1732 58.6666 33.1265 177.7132 83 H 4.6113 7.7158 117.9769 53.2606 26.5174 173.2109 *85 P 4.2702 0.0000 0.0000 61.8361 33.0876 176.9229 86 S 4.1533 8.7236 116.1334 60.3042 62.6698 173.4996 87 H 4.1614 8.8530 122.2533 56.8788 25.9717 175.0889 88 S 4.3396 7.6254 114.8901 58.7471 63.6207 173.8609 89 D 4.6634 9.0338 124.0533 53.6855 41.7535 175.5344 90 I 4.8999 8.2604 124.1626 59.2691 40.3966 175.0275 91 R 4.5956 8.7546 126.2789 54.4528 33.2645 174.0451 92 I 4.9397 8.1519 125.3259 59.5166 40.3887 174.6000 93 E 4.8298 8.9991 125.1970 54.4863 33.8130 174.6787 94 L 4.7604 8.6029 123.1509 53.9095 42.8819 176.3857 95 V 3.9947 8.7106 125.5854 61.4007 31.8787 174.4013 96 P 4.4570 0.0000 0.0000 62.5841 32.3429 177.2541 97 K 4.2284 8.3119 120.9096 55.8278 30.6278 177.4348 98 S 5.0160 7.5258 115.1098 55.8448 67.8272 175.1493 99 I 3.9942 8.5231 125.0432 64.7675 37.0583 178.5779 100 S 4.1251 8.1584 113.4869 61.5342 62.2026 175.9099 101 D 4.3198 8.2462 121.4467 57.4375 40.6108 178.6293 102 I 3.5865 7.6264 118.7525 63.9217 37.8732 178.0635 103 K 4.0736 8.2672 119.4979 59.5773 31.8687 179.1235 104 N 4.3775 8.3672 116.8452 56.0197 38.1667 177.7666 105 V 3.2459 7.5192 119.0116 65.9847 31.7092 176.9236 106 Y 4.2310 8.0730 118.2721 60.8068 38.6616 177.7884 107 K 4.1422 8.1984 119.0907 59.5574 32.1180 178.6619 108 Y 4.2332 7.8925 117.6598 57.9630 38.5607 176.7543 *110 L 4.2182 7.7900 116.1828 53.2876 43.4345 178.8553 111 K 3.8839 7.5782 119.7316 59.6909 32.4537 177.9541 112 T 4.2263 7.6843 106.8324 61.8326 69.1919 174.9156 113 K 4.5061 7.9992 120.8369 56.2913 33.2065 176.7255 114 K 4.6622 7.5150 120.4950 55.9514 33.4062 175.9897 115 D 4.5864 8.7042 115.8202 56.8317 38.2278 173.6015 116 I 4.4220 7.1361 116.3165 59.4556 39.1369 175.4257 117 K 4.4284 8.0993 125.5723 54.9753 35.4023 175.8237 *119 S 4.2489 8.5513 113.0281 58.6821 63.2101 173.4259 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 G 8.21 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 2 D 8.27 4.02 0.00 2.94 2.65 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 3 L 7.39 3.14 0.00 0.71 1.27 0.27 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.80 3.82 0.00 1.92 1.92 0.00 1.27 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.57 7.81 5 K 7.41 3.30 0.00 1.56 1.10 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.09 1.34 7.81 6 V 7.63 3.25 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 1.20 0.00 0.00 0.64 0.00 0.00 7 L 7.98 3.98 0.00 1.75 1.79 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.66 4.31 0.00 2.56 2.75 0.00 0.00 7.13 6.75 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 9 F 7.71 4.82 0.00 1.51 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 0.00 0.00 0.00 10 H 8.04 4.51 0.00 3.25 3.19 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.73 4.93 0.00 3.09 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 12 S 8.38 4.68 0.00 3.88 4.09 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 13 Y 7.85 4.72 0.00 3.29 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 14 I 8.93 3.69 1.34 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 1.02 0.42 -0.16 0.00 0.00 15 Y 8.40 4.67 0.00 3.06 2.29 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 16 T 8.42 4.82 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 1.04 0.00 0.00 17 Y 8.96 4.98 0.00 2.91 2.88 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 18 F 9.46 5.42 0.00 3.00 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 19 I 8.89 4.79 1.73 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 1.16 0.69 0.73 0.00 0.00 20 T 8.25 4.85 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 1.09 0.00 0.00 21 I 8.54 4.81 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.38 0.77 0.00 0.00 22 T 8.85 4.92 4.09 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 1.14 0.00 0.00 23 T 8.28 4.64 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 0.69 0.00 0.00 24 N 8.27 5.03 0.00 2.82 2.88 0.00 0.00 5.82 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 25 Y 6.71 4.87 0.00 2.37 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 26 K 8.38 4.29 0.00 1.76 1.87 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.47 7.81 27 Y 7.51 4.25 0.00 3.08 3.01 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 28 G 8.67 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 29 D 8.41 4.72 0.00 2.69 2.54 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 30 T 8.16 3.48 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 -0.11 0.00 0.00 31 E 8.00 3.84 0.00 2.15 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 2.31 0.00 32 K 7.97 3.95 0.00 1.95 1.93 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 33 I 7.98 3.77 1.82 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 1.60 0.65 1.00 0.00 0.00 34 F 8.12 4.44 0.00 3.03 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 35 R 8.46 3.95 0.00 1.94 2.20 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 36 K 8.51 4.06 0.00 2.05 1.97 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.63 7.81 37 F 8.77 4.22 0.00 3.32 3.33 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 38 R 8.73 3.97 0.00 2.17 2.01 0.00 3.25 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 39 S 8.44 4.18 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 40 Y 8.08 4.09 0.00 2.57 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 41 I 7.23 2.94 1.71 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.15 0.76 0.00 0.00 42 Y 8.37 4.05 0.00 3.05 3.11 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 43 N 8.26 4.40 0.00 2.87 2.88 0.00 0.00 7.04 8.88 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 44 H 7.74 4.42 0.00 2.75 3.09 0.00 5.98 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 45 D 7.83 4.21 0.00 2.56 2.41 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 46 K 8.21 3.32 0.00 1.55 1.45 0.00 1.72 0.00 0.00 2.11 0.00 0.00 2.63 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.89 1.12 7.81 47 N 8.06 4.65 0.00 2.95 2.98 0.00 0.00 6.99 7.54 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 48 S 7.65 4.41 0.00 3.89 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 49 H 8.61 5.03 0.00 2.59 3.06 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.53 4.99 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 0.89 0.00 0.00 1.00 0.00 0.00 51 F 9.68 5.42 0.00 3.33 3.11 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 52 S 8.09 4.85 0.00 2.77 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 53 I 8.48 4.53 1.84 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.75 0.88 0.00 0.00 54 K 8.88 5.10 0.00 1.82 1.76 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.64 7.81 55 E 9.20 4.53 0.00 1.85 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 2.28 2.29 0.00 56 T 8.35 4.30 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 1.20 0.00 0.00 *60 S 8.65 4.47 0.00 3.87 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 61 N 8.09 4.55 0.00 2.85 2.90 0.00 0.00 5.71 7.00 0.00 0.00 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 G 7.28 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.58 0.00 0.91 0.77 0.64 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.18 4.81 0.00 3.06 3.00 0.00 5.80 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.80 5.58 0.00 2.79 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 66 H 9.15 5.42 0.00 3.11 3.45 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.96 4.93 1.70 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.37 0.88 0.00 0.00 68 L 9.24 5.17 0.00 1.74 1.08 1.18 0.57 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 69 V 8.74 4.73 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 1.11 0.00 0.00 1.13 0.00 0.00 70 F 8.93 5.34 0.00 2.56 2.48 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 71 T 9.18 5.16 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 72 N 9.50 5.08 0.00 2.83 2.86 0.00 0.00 6.64 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 73 K 7.98 4.74 0.00 1.59 1.50 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.37 7.81 74 K 8.60 3.58 0.00 1.61 1.51 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.91 0.68 7.81 75 L 7.92 3.86 0.00 1.03 1.41 0.58 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.41 4.42 0.00 2.65 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 77 Y 8.32 4.47 0.00 2.95 2.88 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 78 S 8.29 4.13 0.00 4.06 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 79 R 8.15 3.88 0.00 2.02 1.60 0.00 3.25 0.00 0.00 3.02 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 80 V 7.41 3.83 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 0.91 0.00 0.00 1.13 0.00 0.00 81 H 8.22 4.28 0.00 3.29 3.34 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.76 4.00 0.00 1.69 1.79 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.06 1.32 7.81 83 H 7.72 4.61 0.00 3.26 3.44 0.00 5.93 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 *85 P 0.00 4.27 0.00 2.17 2.13 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 86 S 8.72 4.15 0.00 3.89 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 87 H 8.85 4.16 0.00 3.45 3.46 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.63 4.34 0.00 3.62 3.66 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 89 D 9.03 4.66 0.00 2.45 2.53 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 90 I 8.26 4.90 1.60 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.43 0.71 0.00 0.00 91 R 8.75 4.60 0.00 1.73 1.55 0.00 2.97 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.48 0.00 92 I 8.15 4.94 1.23 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.52 0.59 0.00 0.00 93 E 9.00 4.83 0.00 1.99 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 2.19 2.47 0.00 94 L 8.60 4.76 0.00 1.61 1.64 1.05 0.43 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 95 V 8.71 3.99 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 0.65 0.00 0.00 0.96 0.00 0.00 96 P 0.00 4.46 0.00 2.27 2.01 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 97 K 8.31 4.23 0.00 1.83 1.99 0.00 1.39 0.00 0.00 1.44 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.36 7.81 98 S 7.53 5.02 0.00 4.07 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 99 I 8.52 3.99 1.94 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 1.70 0.69 0.97 0.00 0.00 100 S 8.16 4.13 0.00 3.91 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 0.00 101 D 8.25 4.32 0.00 2.91 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 0.00 102 I 7.63 3.59 1.39 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 0.97 0.00 0.00 103 K 8.27 4.07 0.00 1.94 1.88 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.64 7.81 104 N 8.37 4.38 0.00 2.93 2.85 0.00 0.00 6.65 7.17 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 0.00 105 V 7.52 3.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.67 0.00 0.00 106 Y 8.07 4.23 0.00 3.00 3.16 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 0.00 107 K 8.20 4.14 0.00 1.98 2.11 0.00 1.91 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.50 7.81 108 Y 7.89 4.23 0.00 3.17 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 *110 L 7.79 4.22 0.00 1.56 1.58 0.43 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.58 3.88 0.00 1.80 1.98 0.00 1.43 0.00 0.00 1.41 0.00 0.00 2.70 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.25 1.23 7.81 112 T 7.68 4.23 4.19 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 1.16 0.00 0.00 113 K 8.00 4.51 0.00 1.83 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.47 7.81 114 K 7.52 4.66 0.00 1.79 1.67 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 115 D 8.70 4.59 0.00 2.81 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 0.00 116 I 7.14 4.42 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 0.92 0.00 0.00 117 K 8.10 4.43 0.00 1.63 1.66 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.47 7.81 *119 S 8.55 4.25 0.00 4.04 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 * Residues marked with a * may have inaccurate shift predictions.