NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2642 0.0000 0.0000 61.9912 32.2794 175.2555 3 K 3.6376 8.8721 123.5361 55.6067 31.4316 174.1189 4 K 4.1491 8.3288 125.2437 54.9944 34.7396 174.5500 5 V 5.0693 8.2580 124.3214 61.3806 35.0235 174.1755 6 L 4.8231 8.6823 123.1757 53.5097 46.6657 175.1848 7 T 5.0808 8.1536 116.9067 62.0363 71.3423 173.5727 8 G 4.5916 8.8566 112.1282 46.4865 0.0000 172.1126 9 V 4.5528 8.0532 119.5642 61.9428 33.7084 175.2122 10 V 4.2597 8.5438 126.9345 62.7863 31.8665 176.3244 11 V 4.2946 8.5371 121.2399 61.0052 32.7942 176.1658 12 S 4.5262 7.4971 114.7496 57.2876 65.5545 174.5599 13 D 4.8879 8.8098 125.6354 53.2185 39.6755 175.5995 14 K 4.5195 7.9965 116.9873 57.5246 32.4777 176.1933 15 M 4.7395 7.7053 116.8125 53.1856 35.0902 175.9689 16 Q 4.0766 8.5036 119.7428 56.4660 28.5659 176.2991 17 K 4.0611 9.0945 124.5630 57.0362 29.2630 175.6460 18 T 5.1380 7.5622 111.8651 62.6905 72.8626 174.1635 19 V 4.6692 8.7703 117.8648 59.8532 36.2124 175.0764 20 T 4.6249 8.5378 121.7860 63.2027 69.4830 173.8963 21 V 4.6137 8.7757 128.6630 61.1851 33.1268 174.7792 22 L 4.6219 9.0341 131.2580 54.8498 43.7061 175.7470 23 V 4.6388 8.5769 124.7154 61.5582 34.8331 173.6876 24 E 5.2807 8.9184 127.2081 55.0742 31.8546 175.2473 25 R 4.8568 9.0904 117.9387 55.0710 33.5376 173.5695 26 Q 5.4063 8.5854 117.6920 53.0382 33.0044 174.4524 27 F 4.7455 7.6284 112.9531 55.8539 40.3166 171.4099 28 P 4.7618 0.0000 0.0000 62.5854 32.2663 175.8572 29 H 4.3640 9.5215 125.0520 55.1846 30.1381 174.3713 30 P 4.3284 0.0000 0.0000 65.2352 30.9860 176.4154 31 L 4.5275 7.8580 116.0023 54.8950 44.6187 175.8794 32 Y 4.8590 8.0590 113.4640 57.0917 38.7993 176.0803 33 G 3.6550 7.3472 111.7671 44.7112 0.0000 174.3968 34 K 4.8296 7.5622 115.8263 51.0461 33.2637 175.4802 35 V 3.9415 8.4890 126.7843 63.2015 32.2810 174.9280 36 I 4.5687 8.4977 119.7854 58.9337 40.7112 174.6616 37 K 4.6055 8.4396 123.3512 56.2359 33.4811 176.0355 38 R 4.7990 8.4478 121.2317 55.6596 33.9686 173.6391 39 S 5.2267 8.6561 118.3964 56.8258 67.0694 171.7812 40 K 4.7286 8.8531 120.6648 54.5774 36.1740 174.2747 41 K 5.0785 8.2672 119.7246 54.6437 35.2434 175.6819 42 Y 4.5961 8.8517 121.6088 56.0397 41.2612 174.6277 43 L 4.9252 8.6385 123.2681 53.8200 43.1063 175.8271 44 A 5.0753 9.0199 125.9729 50.0000 21.4970 174.8678 45 H 4.3657 9.0193 123.2422 56.3551 31.3666 174.4465 46 D 5.2229 8.3674 124.0951 52.3628 40.9927 173.8128 47 P 4.4277 0.0000 0.0000 64.0636 32.0357 177.7319 48 E 4.4885 7.7417 116.4419 56.0231 30.0208 175.9121 49 E 4.6470 8.4867 117.1525 56.4830 27.6167 177.1996 50 K 4.0098 8.3366 121.8310 59.6596 33.5344 176.8734 51 Y 4.1848 8.2421 118.5257 56.9804 38.1242 175.2404 52 K 4.8628 8.5764 124.6802 54.5432 35.0675 175.1318 53 L 4.1320 8.1491 121.0743 56.4284 42.6136 176.7425 54 G 4.0287 8.9365 113.7679 44.9795 0.0000 172.2609 55 D 4.9583 7.6327 120.4759 53.5024 42.4917 175.8786 56 V 4.2551 8.3646 123.4832 62.5897 32.9791 174.9955 57 V 4.8194 8.9054 126.3359 61.6400 35.9010 172.9418 58 E 5.0737 8.7578 123.6736 55.1665 31.6099 175.5138 59 I 4.8998 9.0284 124.5717 59.6114 41.3506 174.3179 60 I 5.0609 8.6943 123.2064 59.1244 41.7271 173.7078 61 E 3.1918 9.0995 130.6504 56.9529 28.2258 176.1178 62 S 4.6754 7.6267 121.7905 55.8329 65.7109 173.8207 63 R 3.8762 8.2720 121.1779 55.3257 30.3452 173.9666 64 P 4.1589 0.0000 0.0000 63.6103 31.5521 175.7859 65 I 4.1231 8.2888 124.6805 62.8485 38.0311 175.6867 66 S 4.5095 7.5356 111.5785 56.6612 65.7394 173.3025 67 K 3.8259 8.4910 121.2761 57.4988 32.0928 176.5039 68 R 3.8716 8.7271 119.6754 56.7691 28.9909 176.4383 69 K 4.6165 7.9330 116.8660 55.3312 32.6276 175.5854 70 R 4.6067 8.5623 125.0384 55.1457 32.4939 174.4145 71 F 4.9285 8.3217 116.6824 56.0997 43.4625 173.9552 72 R 4.8750 8.5510 121.8886 54.5652 32.5604 176.0184 73 V 3.5303 7.7837 122.0015 62.8153 31.1603 175.5042 74 L 4.2606 9.1261 132.6788 56.3516 41.7231 176.6419 75 R 5.1592 7.3043 112.0283 55.8210 32.5362 173.0592 76 L 4.4856 8.8280 122.4865 55.6764 42.3546 176.2806 77 V 4.3700 8.1915 124.2401 63.8234 34.2987 175.4964 78 E 4.7546 7.6786 113.4003 55.3653 31.7596 176.2138 79 S 4.5712 8.5911 119.8976 57.6368 63.6624 173.7645 80 G 4.0424 8.7591 109.8331 46.2849 0.0000 173.8350 81 R 4.7405 8.4002 128.2215 54.8627 31.7849 177.3970 82 M 4.2328 8.2793 118.9873 57.8312 32.2155 177.5754 83 D 4.3777 8.0923 119.5131 56.3936 39.4577 178.4812 84 L 4.0990 7.8562 119.9492 57.3488 41.6163 179.2582 85 V 3.6472 7.8182 117.7804 66.2699 31.5079 177.6027 86 E 3.9635 8.5803 118.4830 59.4240 29.2606 179.7173 87 K 3.9456 7.6210 117.5130 60.2264 32.1805 177.9406 88 Y 4.0900 8.1087 119.3464 60.9055 38.4399 177.8552 89 L 3.6902 8.7578 119.5744 58.0696 41.9880 180.1521 90 I 3.5552 7.6346 119.2265 64.2759 36.9081 177.9910 91 R 3.6144 7.4259 118.1492 59.6326 30.0326 177.8836 92 R 3.2253 7.4088 117.9067 59.2990 30.0733 178.3113 93 Q 3.9470 7.9058 119.1869 58.9573 29.0461 177.7312 94 N 4.4677 8.3321 117.7977 55.8228 38.4029 176.7903 95 Y 4.4593 7.5159 118.8847 61.1392 37.7257 177.8077 96 E 3.9576 7.6644 118.4396 59.1564 29.7227 177.0500 97 S 4.7600 7.7130 111.5503 58.7620 63.5492 174.4910 98 L 4.8476 8.0355 119.2936 55.1352 44.3461 178.2953 99 S 4.6835 7.8248 119.8235 58.6428 62.9435 176.3224 100 K 4.4150 8.4327 113.1315 55.4841 31.8401 176.7513 *101 R 4.1415 7.6891 120.1246 56.4156 30.0213 177.1228 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 2 P 0.00 4.26 0.00 2.19 2.14 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 K 8.87 3.64 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 4 K 8.33 4.15 0.00 1.97 1.83 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.62 7.81 5 V 8.26 5.07 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 0.88 0.00 0.00 0.97 0.00 0.00 6 L 8.68 4.82 0.00 1.25 1.24 0.17 0.42 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 7 T 8.15 5.08 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 1.23 0.00 0.00 8 G 8.86 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.05 4.55 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 0.92 0.00 0.00 0.92 0.00 0.00 10 V 8.54 4.26 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 0.88 0.00 0.00 0.92 0.00 0.00 11 V 8.54 4.29 1.64 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 0.42 0.00 0.00 0.54 0.00 0.00 12 S 7.50 4.53 0.00 3.87 3.65 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 13 D 8.81 4.89 0.00 2.80 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 14 K 8.00 4.52 0.00 1.78 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.47 7.81 15 M 7.71 4.74 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 16 Q 8.50 4.08 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 17 K 9.09 4.06 0.00 1.96 1.91 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.44 7.81 18 T 7.56 5.14 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 1.28 0.00 0.00 19 V 8.77 4.67 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 0.75 0.00 0.00 0.86 0.00 0.00 20 T 8.54 4.62 4.18 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 1.11 0.00 0.00 21 V 8.78 4.61 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 0.90 0.00 0.00 0.83 0.00 0.00 22 L 9.03 4.62 0.00 1.48 1.37 0.95 0.74 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 23 V 8.58 4.64 2.20 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 0.87 0.00 0.00 1.02 0.00 0.00 24 E 8.92 5.28 0.00 1.90 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 2.26 2.30 0.00 25 R 9.09 4.86 0.00 1.90 2.03 0.00 2.78 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 26 Q 8.59 5.41 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 27 F 7.63 4.75 0.00 3.12 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 28 P 0.00 4.76 0.00 2.05 2.07 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 29 H 9.52 4.36 0.00 3.19 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.33 0.00 2.13 2.17 0.00 3.62 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 1.73 1.94 0.00 31 L 7.86 4.53 0.00 1.29 1.02 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.06 4.86 0.00 2.69 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 33 G 7.35 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 0.00 0.00 0.00 34 K 7.56 4.83 0.00 1.83 1.85 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.47 7.81 35 V 8.49 3.94 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 0.84 0.00 0.00 0.93 0.00 0.00 36 I 8.50 4.57 1.69 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 0.39 0.16 0.90 0.00 0.00 37 K 8.44 4.61 0.00 1.64 1.77 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.40 7.81 38 R 8.45 4.80 0.00 2.08 1.92 0.00 3.28 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 S 8.66 5.23 0.00 4.04 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 40 K 8.85 4.73 0.00 1.77 1.64 0.00 0.61 0.00 0.00 0.86 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.83 1.14 7.81 41 K 8.27 5.08 0.00 1.54 1.58 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.41 7.81 42 Y 8.85 4.60 0.00 2.62 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 43 L 8.64 4.93 0.00 1.77 1.64 0.94 0.73 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 44 A 9.02 5.08 1.22 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 0.00 0.00 45 H 9.02 4.37 0.00 3.33 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.37 5.22 0.00 2.79 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 47 P 0.00 4.43 0.00 2.27 2.32 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 48 E 7.74 4.49 0.00 2.06 1.96 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 2.24 2.26 0.00 49 E 8.49 4.65 0.00 2.03 2.16 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 2.30 2.20 0.00 50 K 8.34 4.01 0.00 1.55 1.82 0.00 1.26 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.14 7.81 51 Y 8.24 4.18 0.00 3.24 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 8.58 4.86 0.00 1.93 1.96 0.00 1.42 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.71 1.50 7.81 53 L 8.15 4.13 0.00 1.78 1.63 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.94 4.03 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 0.00 0.00 0.00 55 D 7.63 4.96 0.00 2.70 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 56 V 8.36 4.26 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 0.90 0.00 0.00 0.93 0.00 0.00 57 V 8.91 4.82 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 0.96 0.00 0.00 0.92 0.00 0.00 58 E 8.76 5.07 0.00 1.97 1.81 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 2.24 2.27 0.00 59 I 9.03 4.90 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.12 1.08 0.00 0.00 60 I 8.69 5.06 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.63 0.96 0.00 0.00 61 E 9.10 3.19 0.00 1.85 1.81 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 2.11 1.92 0.00 62 S 7.63 4.68 0.00 3.67 3.71 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 63 R 8.27 3.88 0.00 1.72 1.77 0.00 3.39 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 64 P 0.00 4.16 0.00 2.06 2.03 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 65 I 8.29 4.12 1.90 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 1.27 0.49 0.85 0.00 0.00 66 S 7.54 4.51 0.00 3.95 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 67 K 8.49 3.83 0.00 1.82 1.75 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.46 7.81 68 R 8.73 3.87 0.00 1.96 1.99 0.00 3.28 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 69 K 7.93 4.62 0.00 1.93 1.94 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.67 7.81 70 R 8.56 4.61 0.00 1.94 1.66 0.00 3.23 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 71 F 8.32 4.93 0.00 2.90 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 72 R 8.55 4.88 0.00 1.80 1.85 0.00 3.13 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 73 V 7.78 3.53 1.73 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 -0.50 0.00 0.00 0.79 0.00 0.00 74 L 9.13 4.26 0.00 1.65 1.67 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.30 5.16 0.00 1.94 2.02 0.00 3.21 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 76 L 8.83 4.49 0.00 1.77 1.66 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.19 4.37 2.16 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 0.87 0.00 0.00 0.92 0.00 0.00 78 E 7.68 4.75 0.00 2.03 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 2.14 2.17 0.00 79 S 8.59 4.57 0.00 3.91 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 80 G 8.76 4.04 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 0.00 0.00 0.00 81 R 8.40 4.74 0.00 2.09 1.85 0.00 3.31 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 82 M 8.28 4.23 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 83 D 8.09 4.38 0.00 2.87 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 84 L 7.86 4.10 0.00 1.74 1.76 0.92 0.93 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 85 V 7.82 3.65 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 1.22 0.00 0.00 0.94 0.00 0.00 86 E 8.58 3.96 0.00 2.19 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 2.60 2.52 0.00 87 K 7.62 3.95 0.00 2.09 1.87 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.60 7.81 88 Y 8.11 4.09 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 89 L 8.76 3.69 0.00 1.83 1.70 0.98 1.14 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 90 I 7.63 3.56 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.85 0.90 0.00 0.00 91 R 7.43 3.61 0.00 1.82 1.83 0.00 3.27 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 92 R 7.41 3.23 0.00 1.47 1.52 0.00 2.99 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 93 Q 7.91 3.95 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 94 N 8.33 4.47 0.00 2.78 2.79 0.00 0.00 6.88 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 95 Y 7.52 4.46 0.00 3.11 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 96 E 7.66 3.96 0.00 2.00 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 2.35 2.30 0.00 97 S 7.71 4.76 0.00 4.04 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 98 L 8.04 4.85 0.00 1.74 1.70 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.82 4.68 0.00 3.97 3.71 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 0.00 100 K 8.43 4.41 0.00 1.72 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.32 7.81 *101 R 7.69 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.