NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 Q 4.3153 8.3449 119.6888 55.8636 30.1813 174.2235 20 N 4.7565 8.2768 117.7730 48.8475 40.6090 172.4221 21 P 4.5076 0.0000 0.0000 62.2756 32.9677 175.6339 22 L 4.1696 8.1811 118.6620 53.6415 42.0362 175.7126 23 P 4.5847 0.0000 0.0000 63.6768 31.6345 176.8563 24 T 4.3121 8.8117 116.9168 62.9232 70.5148 176.0537 25 R 4.0493 8.6568 122.5156 59.8203 30.1156 178.3154 26 F 4.3385 8.5283 119.7317 61.7204 39.4220 176.7166 27 E 4.1924 8.6932 117.5728 59.6162 29.3363 179.4331 28 V 3.7261 8.7650 119.1234 65.8836 31.4757 177.8913 29 E 4.3626 8.6572 118.4301 58.8762 29.4898 178.5785 30 L 2.7729 8.0526 120.3749 57.9165 42.0967 178.8186 31 E 3.8770 8.1883 118.3642 59.4274 29.1843 179.3346 32 F 4.1656 7.8824 119.3106 61.3189 39.9459 176.7240 33 I 3.5251 8.4169 118.8911 64.2313 37.6326 177.8584 34 Q 3.9084 7.6388 118.7608 58.4769 28.4694 178.5714 35 S 3.9861 7.5334 114.7734 60.7814 62.6890 175.8010 36 L 4.2272 7.2550 120.0699 55.9040 41.3956 178.0881 37 A 4.3933 7.6748 120.8558 52.7098 18.8249 176.8983 38 N 4.5632 7.8801 117.0621 52.2944 38.7312 175.2638 39 I 3.6977 8.5879 127.9165 64.8249 37.1228 178.0245 40 Q 4.0295 8.2138 117.9698 59.1883 28.5583 178.4051 41 Y 4.2018 8.6497 120.5481 60.8541 38.8387 177.8546 42 V 3.4414 7.7800 119.1840 66.3960 31.4610 178.0470 43 T 3.8182 8.1133 115.2923 66.9616 68.1610 175.9494 44 Y 4.1478 7.9817 119.9062 60.4679 38.9530 178.1125 45 L 4.0106 7.9301 120.0721 57.7934 41.7448 178.9578 46 L 4.2139 8.0435 118.2410 57.4195 41.6564 178.7694 47 T 4.6622 7.7165 108.4373 61.3246 70.4322 175.2424 48 Q 4.2967 8.5101 121.8414 56.6750 31.8815 174.0478 49 Q 4.5841 8.1284 115.4659 57.8444 30.9442 177.7957 50 Q 3.9392 8.1133 120.2423 59.2355 29.0635 178.4474 51 I 3.6163 7.2830 110.9991 62.1294 37.7064 176.6628 52 W 4.9614 7.4761 118.6942 56.5447 30.1763 176.8275 53 K 4.1124 7.8373 119.1386 59.0524 31.4506 177.0571 54 S 4.8294 7.7101 113.2419 55.9097 64.8630 173.1358 55 P 4.5090 0.0000 0.0000 64.8889 30.8423 177.8484 56 N 4.2543 7.8167 116.6696 56.9321 38.4825 176.4820 57 F 4.2452 8.1534 120.7712 61.3675 39.2852 176.7567 58 K 3.9937 8.4033 118.6542 60.0470 31.8996 178.2271 59 N 4.4425 8.6141 116.8801 56.1289 38.5343 176.8267 60 Y 4.2514 8.3578 121.4963 60.9291 38.7272 178.2803 61 L 3.9087 7.7274 118.4677 57.5620 42.0218 179.1786 62 K 4.0874 7.8682 119.6020 59.4634 32.0245 178.1841 63 Y 4.2103 8.2354 119.9243 60.6699 38.6736 177.7685 64 L 3.6146 7.5867 118.3845 55.9950 41.7691 178.1804 65 E 4.1321 7.8324 118.2607 57.4494 29.2069 177.9973 66 Y 4.0697 7.2640 119.3762 59.3883 37.7915 177.8698 67 W 4.1912 7.3967 120.2072 58.6331 29.0051 177.4397 68 C 4.4653 7.8751 115.5983 60.9411 28.1189 173.0089 69 N 5.2174 7.6559 116.7611 50.1110 41.5701 172.2310 70 P 4.7695 0.0000 0.0000 62.2457 32.1525 174.8826 71 P 4.4688 0.0000 0.0000 64.2095 32.2178 177.8266 72 Y 4.2633 7.9663 118.1954 61.5787 37.9008 178.2881 73 S 4.8810 8.4548 116.4650 60.8879 62.6314 175.8439 74 Q 4.3137 7.9544 118.9707 57.3765 28.5792 176.7686 75 C 4.7771 8.4085 117.5380 59.1312 29.0464 173.6767 76 I 3.9038 7.2656 122.1898 61.2686 36.6597 175.9567 77 V 3.7415 9.0642 126.7962 64.3329 32.0968 175.6886 78 Y 4.4935 7.7032 118.3325 55.4144 37.2111 173.9502 79 P 4.3245 0.0000 0.0000 65.3683 31.5744 177.5270 80 N 4.4659 8.3518 115.2465 56.4615 38.3494 176.8181 81 C 4.1769 8.1248 115.6267 61.2046 29.5369 176.1330 82 L 3.9678 7.8876 121.2508 57.4263 41.1301 179.1361 83 F 4.1986 8.1714 120.1172 61.5380 39.5394 177.1473 84 I 3.4601 8.2282 119.8485 63.9486 36.8150 178.2072 85 L 3.8380 8.0577 121.3739 58.0332 41.9340 178.9671 86 K 3.7964 7.8490 118.3029 59.5389 31.9425 179.0248 87 L 3.7772 7.5939 118.9862 57.8328 41.3401 179.2074 88 L 3.8394 7.9081 118.9067 58.3627 41.9724 178.7008 89 N 4.6027 8.5007 115.6119 56.4072 37.3324 177.3437 90 G 3.8183 8.2030 107.1618 47.5460 0.0000 175.8631 91 F 4.1556 8.3286 121.3468 58.5156 39.3804 176.7590 *93 E 4.1906 8.0985 116.6285 55.7423 30.9252 177.1802 94 S 4.3861 7.0656 107.5824 57.9895 63.7758 174.0957 95 A 3.6678 7.1773 123.8072 52.0643 18.8098 177.0294 96 I 4.1671 8.0518 122.5413 59.9194 39.2819 174.8276 97 V 4.3009 8.2092 127.4234 61.1487 32.0474 175.1241 98 N 4.4970 8.9235 127.2454 53.5497 39.4612 175.3575 99 E 4.2819 8.5783 119.3897 59.2884 29.7694 178.5957 100 D 4.4759 8.0527 117.8551 56.4164 41.2150 176.0237 101 G 3.7780 7.4495 111.9179 46.1389 0.0000 173.6331 102 L 3.7367 7.9866 122.6227 55.5150 42.2149 175.8699 103 L 4.3139 8.3611 126.0753 54.0151 41.9091 176.0381 104 E 4.0109 9.2673 126.5013 59.4715 29.5086 179.2462 105 G 3.9913 8.0883 102.2697 46.7642 0.0000 173.3422 106 L 4.7431 8.1594 118.7381 53.6929 43.5448 177.9731 107 D 4.4398 8.3584 118.5318 56.2666 39.2331 177.8947 108 E 4.0788 8.1152 116.7807 58.7920 29.9972 177.4125 109 L 4.2730 7.5214 118.0131 53.2058 42.4591 175.1984 110 P 4.4240 0.0000 0.0000 63.0558 31.2165 176.6446 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 19 Q 8.34 4.32 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 20 N 8.28 4.76 0.00 2.80 2.75 0.00 0.00 6.98 7.13 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 21 P 0.00 4.51 0.00 2.20 2.10 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 22 L 8.18 4.17 0.00 1.69 1.67 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.58 0.00 2.25 2.15 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 24 T 8.81 4.31 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 25 R 8.66 4.05 0.00 1.99 2.10 0.00 3.27 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 26 F 8.53 4.34 0.00 3.38 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 27 E 8.69 4.19 0.00 2.47 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 0.00 2.69 2.66 0.00 28 V 8.77 3.73 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 1.13 0.00 0.00 1.05 0.00 0.00 29 E 8.66 4.36 0.00 2.54 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 2.71 2.89 0.00 30 L 8.05 2.77 0.00 1.28 1.68 0.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.19 3.88 0.00 2.33 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 2.33 2.34 0.00 32 F 7.88 4.17 0.00 3.17 3.27 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 33 I 8.42 3.53 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 0.07 0.00 0.00 34 Q 7.64 3.91 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 35 S 7.53 3.99 0.00 3.70 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 36 L 7.25 4.23 0.00 1.64 1.68 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.67 4.39 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 38 N 7.88 4.56 0.00 2.68 2.91 0.00 0.00 7.00 8.09 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 39 I 8.59 3.70 1.89 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 1.66 0.69 0.91 0.00 0.00 40 Q 8.21 4.03 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 41 Y 8.65 4.20 0.00 2.96 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 42 V 7.78 3.44 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 1.03 0.00 0.00 1.00 0.00 0.00 43 T 8.11 3.82 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 44 Y 7.98 4.15 0.00 2.99 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 45 L 7.93 4.01 0.00 2.01 1.82 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.04 4.21 0.00 1.70 1.65 0.63 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.72 4.66 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 1.22 0.00 0.00 48 Q 8.51 4.30 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 49 Q 8.13 4.58 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 50 Q 8.11 3.94 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 51 I 7.28 3.62 0.92 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 0.86 -0.36 0.42 0.00 0.00 52 W 7.48 4.96 0.00 3.51 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 53 K 7.84 4.11 0.00 1.95 1.90 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.49 7.81 54 S 7.71 4.83 0.00 4.20 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 55 P 0.00 4.51 0.00 2.34 2.40 0.00 3.76 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 2.11 2.09 0.00 56 N 7.82 4.25 0.00 2.87 2.93 0.00 0.00 6.49 8.01 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 57 F 8.15 4.25 0.00 2.85 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 58 K 8.40 3.99 0.00 2.19 2.16 0.00 1.88 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.68 7.81 59 N 8.61 4.44 0.00 2.96 2.91 0.00 0.00 6.68 7.12 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 60 Y 8.36 4.25 0.00 3.13 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 61 L 7.73 3.91 0.00 1.70 1.76 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.87 4.09 0.00 1.84 1.84 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 63 Y 8.24 4.21 0.00 3.02 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 64 L 7.59 3.61 0.00 1.79 1.53 1.04 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.83 4.13 0.00 2.16 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 2.29 2.26 0.00 66 Y 7.26 4.07 0.00 2.64 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 67 W 7.40 4.19 0.00 3.22 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 68 C 7.88 4.47 0.00 3.11 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 69 N 7.66 5.22 0.00 3.02 2.73 0.00 0.00 6.61 7.91 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 70 P 0.00 4.77 0.00 2.19 2.08 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 71 P 0.00 4.47 0.00 2.12 2.23 0.00 2.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.96 0.00 72 Y 7.97 4.26 0.00 3.47 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 73 S 8.45 4.88 0.00 4.14 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 74 Q 7.95 4.31 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 75 C 8.41 4.78 0.00 3.44 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 76 I 7.27 3.90 2.03 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.92 0.00 0.00 77 V 9.06 3.74 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 0.22 0.00 0.00 0.86 0.00 0.00 78 Y 7.70 4.49 0.00 2.94 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 79 P 0.00 4.32 0.00 2.16 2.11 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 80 N 8.35 4.47 0.00 2.80 2.96 0.00 0.00 6.91 7.66 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 81 C 8.12 4.18 0.00 3.26 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 82 L 7.89 3.97 0.00 1.94 1.80 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.17 4.20 0.00 3.10 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 I 8.23 3.46 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.69 0.91 0.00 0.00 85 L 8.06 3.84 0.00 1.81 1.78 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.85 3.80 0.00 1.88 1.76 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.65 7.81 87 L 7.59 3.78 0.00 1.45 1.50 0.70 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.91 3.84 0.00 1.65 1.83 0.82 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.50 4.60 0.00 2.89 2.86 0.00 0.00 7.03 7.68 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 90 G 8.20 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 91 F 8.33 4.16 0.00 3.07 3.21 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 *93 E 8.10 4.19 0.00 2.05 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 0.00 2.20 2.59 0.00 94 S 7.07 4.39 0.00 3.83 3.87 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 95 A 7.18 3.67 0.62 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 0.00 0.00 96 I 8.05 4.17 1.96 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 1.17 0.81 0.90 0.00 0.00 97 V 8.21 4.30 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 0.93 0.00 0.00 0.95 0.00 0.00 98 N 8.92 4.50 0.00 2.83 2.88 0.00 0.00 6.79 8.19 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 99 E 8.58 4.28 0.00 2.01 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 0.00 2.32 2.34 0.00 100 D 8.05 4.48 0.00 2.69 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 0.00 101 G 7.45 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.99 3.74 0.00 1.75 1.63 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.36 4.31 0.00 1.52 1.53 -0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.27 4.01 0.00 1.95 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 0.00 2.29 2.27 0.00 105 G 8.09 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 0.00 0.00 0.00 106 L 8.16 4.74 0.00 1.84 1.61 0.79 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.36 4.44 0.00 2.78 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 0.00 108 E 8.12 4.08 0.00 2.10 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 2.27 2.33 0.00 109 L 7.52 4.27 0.00 1.79 1.63 0.89 1.07 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 0.00 110 P 0.00 4.42 0.00 2.04 1.97 0.00 3.70 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 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.