NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7803 8.4244 118.1347 53.2694 39.6917 174.7519 7 V 4.1029 8.8860 130.5271 64.8014 33.2361 173.3904 8 E 4.4168 8.2447 118.3280 58.0648 30.5633 175.3889 9 S 4.3315 7.4995 112.3749 56.8880 63.5427 173.4048 10 F 4.5742 8.3911 125.6125 57.7425 39.6387 175.9961 11 D 4.7314 8.6638 123.5556 53.1161 39.4894 174.1811 12 L 4.5335 7.9133 122.9545 54.6879 43.7320 176.1526 13 D 4.6816 9.2904 126.6512 53.2311 40.2957 176.5974 14 H 4.3420 8.8643 124.9334 58.3419 28.8887 177.0214 15 T 4.1815 8.2598 108.4287 62.8799 68.9072 175.2715 16 K 4.3704 7.8764 120.5483 56.4033 32.8708 176.7941 17 V 4.0914 7.4829 112.3754 60.4855 32.5965 176.2467 18 K 4.5968 8.7827 120.3327 54.3025 32.9051 176.4314 19 A 4.5468 9.2934 125.7421 51.1357 17.8533 175.0949 20 P 4.8374 0.0000 0.0000 62.7159 33.9520 174.1351 21 Y 5.1353 8.0171 117.9363 56.7025 42.0549 172.8407 22 V 5.0768 8.9201 119.2448 61.2279 34.6471 174.3132 23 R 5.0875 8.9086 126.7553 54.5933 33.8641 173.5834 24 L 4.3298 10.0646 129.9711 55.4231 42.2899 176.3238 25 A 4.5152 9.6576 127.8069 51.0821 20.5990 176.4106 26 G 3.7282 6.1995 105.9160 45.2552 0.0000 171.7727 27 V 4.8455 8.0492 120.4555 60.8025 35.3480 173.8503 28 K 4.7929 8.9810 128.6116 54.8750 34.9622 174.7419 29 T 4.9903 8.5341 121.5253 61.0863 69.4120 173.8233 30 T 4.4367 8.6160 117.0717 59.8715 70.8548 174.0831 31 P 4.2442 0.0000 0.0000 65.7826 31.3883 178.4163 32 K 4.0624 7.8581 115.2554 57.3442 32.2437 176.8543 33 G 3.7642 7.3244 106.8216 45.1073 0.0000 173.6573 34 D 4.7673 8.2408 120.8120 53.7145 42.7024 175.3126 35 Q 4.8028 8.5428 119.5495 54.5415 31.7094 174.9724 36 I 4.6276 8.7798 125.0310 59.8758 38.3344 174.4669 37 S 4.5636 8.8994 124.3839 57.8602 64.2275 173.5265 38 K 4.6998 8.5185 124.4577 54.8970 34.4328 175.0524 39 Y 4.9779 8.6601 121.6187 56.2168 42.1621 174.4166 40 D 4.6377 9.4955 124.2656 53.3313 42.2028 174.9159 41 L 4.2317 8.6377 128.1295 53.3315 41.6448 174.2806 42 R 4.3668 8.3143 123.6610 55.5395 30.5743 176.4100 43 F 4.2227 9.3892 125.7403 59.9975 39.5256 176.0404 44 L 4.9087 8.0543 116.6679 52.4075 44.6272 176.3621 45 Q 4.1148 8.5441 122.4095 55.1992 29.6698 173.9145 46 P 4.4218 0.0000 0.0000 64.5642 31.7516 175.6772 47 N 4.3275 9.0227 117.9924 54.4263 35.8851 174.4716 48 Q 4.5330 9.3791 114.7116 54.2449 29.2959 175.2350 49 G 4.4107 7.0740 104.4259 43.6460 0.0000 172.4162 50 A 4.8319 7.5782 120.6043 50.1587 22.2529 176.2249 51 I 3.8726 8.6981 121.9546 60.8098 37.9612 175.9827 52 D 4.4011 8.7833 125.7467 54.0865 42.0178 175.4060 53 P 4.2083 0.0000 0.0000 65.5643 31.3651 178.9468 54 A 4.1901 8.4611 120.6697 54.7064 18.2723 179.6124 55 A 3.9737 7.9102 118.8306 55.2385 18.4180 179.4871 56 I 3.5860 7.9565 117.2355 64.0122 38.0123 177.6098 57 H 4.2082 8.2162 119.4866 59.5644 29.5915 177.4535 58 T 3.9494 8.0389 117.5409 66.5890 68.2057 176.7252 59 L 4.0312 8.2968 121.3627 57.6388 41.5989 179.1470 60 E 3.9641 8.5556 119.5406 59.7947 28.0968 178.6077 61 H 4.1295 8.3706 116.1115 58.8855 28.7401 177.9192 62 L 3.9829 8.2778 120.9575 57.7985 41.4917 179.5456 63 L 4.2335 8.5023 118.8430 57.1800 41.2503 179.1385 64 A 4.0850 8.0302 121.4939 55.2094 18.3774 179.8071 65 G 3.5232 7.4008 102.0669 47.8687 0.0000 175.8352 66 Y 4.5454 7.7232 118.1975 60.9871 38.1376 178.1507 67 M 4.3496 8.5552 120.1132 58.5613 31.8819 179.0210 68 R 4.1571 7.4135 117.0172 59.1685 30.2377 178.5467 69 D 4.5197 7.9374 117.6509 56.3914 40.8845 176.5798 70 H 4.9235 8.0299 113.4316 55.1179 30.4057 173.4899 71 L 4.6173 7.5643 120.7167 53.5069 44.9363 175.0235 72 E 4.3384 8.7178 125.1371 56.7111 30.9571 176.1881 73 G 3.8517 8.7150 107.4623 46.1784 0.0000 173.3541 74 V 3.8933 7.6841 119.3902 62.6156 31.9978 175.8091 75 V 3.8635 8.8672 128.8774 64.8574 31.5910 175.4164 76 D 4.5691 7.4776 117.0288 53.6402 45.4550 174.1869 77 V 4.7535 8.4700 120.0670 61.4791 33.4414 174.8073 78 S 5.0692 9.3247 123.8832 55.7247 67.1408 171.7705 79 P 4.7034 0.0000 0.0000 63.0373 31.8678 176.1378 80 M 4.2884 8.6295 122.5623 54.1692 32.9854 178.3452 81 G 3.7782 8.2568 110.8473 45.4754 0.0000 174.3673 *83 R 4.1498 7.9653 114.7118 55.9039 31.7844 177.0685 84 T 4.4138 7.6066 107.2558 61.7184 70.6621 173.7631 85 G 4.1707 7.0624 107.8695 46.7194 0.0000 171.8917 86 M 5.3875 8.7591 118.8231 53.6469 35.7235 174.5477 87 Y 5.2336 9.3933 123.1948 56.2368 41.7340 174.1777 88 M 4.9644 8.1767 124.6581 53.7478 36.2671 173.2486 89 A 5.0265 8.1778 126.9310 50.2228 22.0143 175.6790 90 V 4.8079 8.7157 120.8301 61.0831 35.5007 174.5325 91 I 4.4328 9.1008 129.2092 60.7834 37.2897 175.6790 92 G 4.3865 8.3081 117.9926 43.6898 0.0000 171.7256 93 E 4.2834 8.0449 118.6399 54.9329 30.3140 175.1311 94 P 4.4400 0.0000 0.0000 63.6509 31.8360 177.1845 95 D 4.8588 9.3697 121.5360 52.0360 42.4196 175.1502 96 E 4.1484 8.5009 123.3927 59.0948 29.9829 178.4363 97 Q 4.0449 8.1353 119.2225 59.2453 29.2631 178.4358 98 G 3.6866 8.4266 108.1030 47.1983 0.0000 175.9102 99 V 3.4622 7.9490 120.7428 65.6745 31.3251 177.8528 100 M 4.1174 8.2498 118.3375 58.5939 32.1174 178.4148 101 K 3.9338 8.1596 118.3893 59.2846 32.1340 179.2042 102 A 3.9516 8.1001 121.0502 55.1715 18.2661 179.3945 103 F 4.2875 8.6650 119.5772 61.4218 39.4171 176.7941 104 E 3.5583 8.5151 119.0474 59.2579 29.4298 178.7371 105 A 3.8047 7.8943 120.4545 55.0510 18.3317 179.5147 106 A 4.1251 8.2551 119.5465 55.1292 18.4217 179.8841 107 L 3.9598 7.9753 118.0074 57.6449 41.6789 179.7764 108 K 3.9813 7.8951 118.7233 59.2207 31.6980 179.1615 109 D 4.0118 7.6692 118.3669 57.4531 40.8806 178.5550 110 T 4.1493 8.0198 116.2989 66.8011 68.3024 176.4681 111 A 4.1859 8.2908 121.6781 54.6341 18.3469 178.8445 112 G 4.1877 7.5305 101.5241 44.1165 0.0000 173.7846 113 H 4.6199 7.9798 122.0475 55.1364 28.5932 174.8846 114 D 5.0175 8.2748 129.9836 53.1034 39.8665 176.0218 115 Q 4.6872 7.5163 116.5958 53.9094 32.3824 173.7117 116 P 4.3646 0.0000 0.0000 62.8739 31.8101 176.7103 117 I 3.8867 8.1606 122.7003 60.3579 37.5916 174.5079 118 P 4.2782 0.0000 0.0000 63.8963 31.7264 176.1814 119 G 3.7494 8.7325 108.3581 45.6692 0.0000 173.9109 120 V 4.1279 7.4910 120.6237 61.2168 31.1680 174.4556 121 S 4.2423 7.7057 120.0678 57.1187 65.1497 176.2751 122 E 3.8728 7.9085 121.1095 58.8362 29.5480 177.8434 123 L 4.1323 7.7769 118.0184 56.8727 42.0661 177.3400 124 E 4.5397 8.1023 115.5949 56.2395 30.5607 175.0313 125 C 4.9628 7.9704 118.3931 57.5319 34.6977 174.0325 126 G 3.8537 8.8081 113.7244 47.2489 0.0000 173.8773 127 N 5.0471 7.7028 117.7390 52.8686 39.7742 174.2483 128 Y 4.3319 8.0405 118.4413 59.6119 38.8605 178.5043 129 R 3.7647 7.1804 117.9907 57.7324 30.7227 176.6055 130 D 4.6341 7.8905 120.5851 52.7895 39.5166 174.4355 131 H 4.9178 7.5341 117.1199 53.4258 33.4575 174.4040 132 D 4.4832 8.9022 121.4097 52.2149 42.7026 175.6935 133 L 3.9637 8.4046 128.5033 57.7689 42.3462 178.0470 134 A 3.9944 8.0466 120.0634 55.2380 18.2848 179.3530 135 A 3.9076 8.5489 119.0266 55.0699 18.4809 179.5563 136 A 4.0051 8.1580 119.3367 55.5792 18.4203 179.9765 137 R 3.9365 8.4103 116.8532 59.6539 30.1246 179.1709 138 Q 3.9592 8.3846 119.3166 59.3496 29.0045 177.9380 139 H 4.2358 8.6092 117.4387 58.7692 28.8586 177.5901 140 A 4.0342 8.3096 122.6177 55.2758 18.1599 179.7365 141 R 3.8580 8.3265 117.3701 59.4515 30.0827 178.4834 142 D 4.3241 8.4736 119.4548 57.1813 40.7071 178.8546 143 V 3.4989 7.7238 118.7105 66.0489 31.3011 178.1720 144 L 3.8703 7.4607 117.1932 57.7118 41.4439 178.9579 145 D 4.4700 8.1003 118.4981 57.5188 40.8447 178.5401 146 Q 4.1447 8.0025 117.7066 55.9825 28.9948 177.3663 147 G 3.8435 8.0707 107.9415 45.8599 0.0000 173.1110 148 L 4.8523 8.0314 123.6590 54.2973 43.4697 175.6065 149 K 4.5893 8.1454 117.2431 55.9616 36.6183 174.9524 150 V 4.4742 8.2827 121.2589 62.2329 31.9206 174.8599 151 Q 4.3544 8.7652 130.9569 54.9638 29.5778 175.3938 152 E 4.1924 8.5614 124.2807 56.0806 30.8272 176.0760 153 T 4.1730 8.2253 117.8650 63.3561 69.5222 174.0385 154 I 4.3157 8.2151 127.8256 59.6414 38.9026 175.3300 155 L 4.7510 8.3977 127.2418 53.8219 42.9317 177.2630 156 L 4.1606 8.3187 120.6350 55.2454 41.5264 177.1853 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 6 N 8.42 4.78 0.00 2.76 2.68 0.00 0.00 6.84 6.79 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 7 V 8.89 4.10 2.14 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 1.13 0.00 0.00 1.00 0.00 0.00 8 E 8.24 4.42 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.25 0.00 9 S 7.50 4.33 0.00 3.76 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 10 F 8.39 4.57 0.00 2.96 2.80 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 11 D 8.66 4.73 0.00 2.86 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 12 L 7.91 4.53 0.00 1.73 1.58 0.95 1.11 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 13 D 9.29 4.68 0.00 2.68 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 14 H 8.86 4.34 0.00 3.18 3.44 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.26 4.18 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 1.28 0.00 0.00 16 K 7.88 4.37 0.00 1.76 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.52 7.81 17 V 7.48 4.09 1.99 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 0.60 0.00 0.00 1.20 0.00 0.00 18 K 8.78 4.60 0.00 1.74 1.77 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.51 7.81 19 A 9.29 4.55 1.26 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 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.84 0.00 2.06 2.30 0.00 3.77 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 21 Y 8.02 5.14 0.00 3.20 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 22 V 8.92 5.08 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 1.08 0.00 0.00 1.01 0.00 0.00 23 R 8.91 5.09 0.00 1.94 1.98 0.00 3.12 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 24 L 10.06 4.33 0.00 1.77 1.78 0.55 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 25 A 9.66 4.52 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 26 G 6.20 3.73 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 0.00 0.00 0.00 27 V 8.05 4.85 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 0.96 0.00 0.00 0.90 0.00 0.00 28 K 8.98 4.79 0.00 1.80 1.57 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.49 7.81 29 T 8.53 4.99 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 1.21 0.00 0.00 30 T 8.62 4.44 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 1.26 0.00 0.00 31 P 0.00 4.24 0.00 2.06 2.16 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 32 K 7.86 4.06 0.00 1.75 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.44 7.81 33 G 7.32 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 34 D 8.24 4.77 0.00 2.65 2.59 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 35 Q 8.54 4.80 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 36 I 8.78 4.63 1.93 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 1.35 0.94 0.90 0.00 0.00 37 S 8.90 4.56 0.00 3.85 3.43 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 0.00 38 K 8.52 4.70 0.00 1.57 1.74 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.31 7.81 39 Y 8.66 4.98 0.00 2.71 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 40 D 9.50 4.64 0.00 2.88 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 41 L 8.64 4.23 0.00 1.53 0.52 0.54 0.06 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 42 R 8.31 4.37 0.00 1.27 0.66 0.00 3.23 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.54 0.00 43 F 9.39 4.22 0.00 3.02 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 44 L 8.05 4.91 0.00 1.53 1.61 0.96 1.11 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 45 Q 8.54 4.11 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 46 P 0.00 4.42 0.00 2.18 2.14 0.00 3.98 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 47 N 9.02 4.33 0.00 2.91 2.94 0.00 0.00 6.88 7.69 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 48 Q 9.38 4.53 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 49 G 7.07 4.41 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 0.00 0.00 0.00 50 A 7.58 4.83 1.17 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 0.00 0.00 51 I 8.70 3.87 1.76 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.67 0.00 0.00 52 D 8.78 4.40 0.00 2.81 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 53 P 0.00 4.21 0.00 2.16 2.05 0.00 3.63 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 2.08 2.12 0.00 54 A 8.46 4.19 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.91 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.59 1.75 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 1.31 1.38 0.91 0.00 0.00 57 H 8.22 4.21 0.00 3.29 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.04 3.95 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 1.23 0.00 0.00 59 L 8.30 4.03 0.00 1.77 1.73 0.52 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.56 3.96 0.00 2.06 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 2.36 2.55 0.00 61 H 8.37 4.13 0.00 3.38 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.28 3.98 0.00 1.76 1.83 0.96 0.61 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 63 L 8.50 4.23 0.00 1.88 1.87 1.27 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.03 4.09 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 65 G 7.40 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 0.00 0.00 0.00 66 Y 7.72 4.55 0.00 3.07 2.96 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 67 M 8.56 4.35 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.95 0.00 68 R 7.41 4.16 0.00 1.92 2.00 0.00 3.34 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 69 D 7.94 4.52 0.00 2.90 2.55 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 0.00 0.00 0.00 0.00 70 H 8.03 4.92 0.00 3.17 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.56 4.62 0.00 1.53 1.67 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.72 4.34 0.00 2.00 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 2.28 2.30 0.00 73 G 8.72 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 74 V 7.68 3.89 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 0.81 0.00 0.00 0.97 0.00 0.00 75 V 8.87 3.86 2.17 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 0.81 0.00 0.00 0.96 0.00 0.00 76 D 7.48 4.57 0.00 2.65 2.52 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 77 V 8.47 4.75 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 0.91 0.00 0.00 0.95 0.00 0.00 78 S 9.32 5.07 0.00 3.92 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 79 P 0.00 4.70 0.00 2.03 2.02 0.00 3.52 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 1.97 2.12 0.00 80 M 8.63 4.29 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 81 G 8.26 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 *83 R 7.97 4.15 0.00 1.88 2.09 0.00 3.27 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 84 T 7.61 4.41 4.46 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 1.25 0.00 0.00 85 G 7.06 4.17 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 0.00 0.00 0.00 86 M 8.76 5.39 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 87 Y 9.39 5.23 0.00 3.01 2.78 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 88 M 8.18 4.96 0.00 1.99 1.70 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 89 A 8.18 5.03 1.16 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 0.00 0.00 90 V 8.72 4.81 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 1.04 0.00 0.00 1.00 0.00 0.00 91 I 9.10 4.43 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 1.17 0.67 0.92 0.00 0.00 92 G 8.31 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 0.00 0.00 0.00 0.00 93 E 8.04 4.28 0.00 2.12 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 2.31 2.37 0.00 94 P 0.00 4.44 0.00 2.12 2.11 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 95 D 9.37 4.86 0.00 2.73 2.52 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 96 E 8.50 4.15 0.00 2.14 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 0.00 2.69 2.58 0.00 97 Q 8.14 4.04 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 98 G 8.43 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 0.00 0.00 0.00 99 V 7.95 3.46 1.80 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 0.36 0.00 0.00 0.15 0.00 0.00 100 M 8.25 4.12 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 101 K 8.16 3.93 0.00 1.95 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.59 7.81 102 A 8.10 3.95 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 0.00 103 F 8.67 4.29 0.00 3.04 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 0.00 104 E 8.52 3.56 0.00 2.01 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 2.19 2.19 0.00 105 A 7.89 3.80 0.98 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 0.00 106 A 8.26 4.13 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.98 3.96 0.00 1.50 1.45 -0.32 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.90 3.98 0.00 1.83 1.75 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.55 7.81 109 D 7.67 4.01 0.00 1.91 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 0.00 110 T 8.02 4.15 4.44 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 1.34 0.00 0.00 111 A 8.29 4.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 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 0.00 0.00 0.00 0.00 113 H 7.98 4.62 0.00 3.49 3.47 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.27 5.02 0.00 2.79 2.70 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 0.00 115 Q 7.52 4.69 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.48 6.94 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 116 P 0.00 4.36 0.00 2.05 2.01 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 117 I 8.16 3.89 1.76 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 1.44 0.47 0.79 0.00 0.00 118 P 0.00 4.28 0.00 2.13 2.01 0.00 3.76 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 1.89 1.83 0.00 119 G 8.73 3.75 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 0.00 0.00 0.00 120 V 7.49 4.13 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 0.96 0.00 0.00 0.59 0.00 0.00 121 S 7.71 4.24 0.00 3.80 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 0.00 122 E 7.91 3.87 0.00 1.42 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 2.26 2.38 0.00 123 L 7.78 4.13 0.00 1.62 1.68 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.10 4.54 0.00 2.14 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 2.23 2.19 0.00 125 C 7.97 4.96 0.00 3.27 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 0.00 126 G 8.81 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 0.00 127 N 7.70 5.05 0.00 2.76 2.64 0.00 0.00 6.94 7.56 0.00 0.00 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 Y 8.04 4.33 0.00 3.21 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 0.00 129 R 7.18 3.76 0.00 1.54 1.79 0.00 2.96 0.00 0.00 2.96 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 130 D 7.89 4.63 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 0.00 131 H 7.53 4.92 0.00 3.09 3.06 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.90 4.48 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.40 3.96 0.00 1.82 1.67 1.00 1.33 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 0.00 134 A 8.05 3.99 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.55 3.91 1.46 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 0.00 0.00 136 A 8.16 4.01 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 R 8.41 3.94 0.00 2.01 2.03 0.00 3.33 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 138 Q 8.38 3.96 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 139 H 8.61 4.24 0.00 3.47 3.58 0.00 5.68 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 0.00 140 A 8.31 4.03 1.48 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 0.00 0.00 141 R 8.33 3.86 0.00 1.92 2.06 0.00 3.24 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 142 D 8.47 4.32 0.00 2.94 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 0.00 143 V 7.72 3.50 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 0.76 0.00 0.00 0.70 0.00 0.00 144 L 7.46 3.87 0.00 1.74 1.63 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.10 4.47 0.00 2.78 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 0.00 146 Q 8.00 4.14 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.27 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 147 G 8.07 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 0.00 148 L 8.03 4.85 0.00 1.53 1.66 0.72 0.98 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 0.00 149 K 8.15 4.59 0.00 1.78 1.90 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.56 7.81 150 V 8.28 4.47 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 0.81 0.00 0.00 0.98 0.00 0.00 151 Q 8.77 4.35 0.00 1.49 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 152 E 8.56 4.19 0.00 2.07 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 2.20 2.26 0.00 153 T 8.23 4.17 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 1.20 0.00 0.00 154 I 8.22 4.32 1.84 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 1.29 0.83 0.89 0.00 0.00 155 L 8.40 4.75 0.00 1.50 1.58 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.32 4.16 0.00 1.85 1.60 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.