NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 5.1579 8.1785 119.4548 57.1242 40.6979 176.1931 4 A 4.0516 7.9556 124.4433 53.9918 18.4174 175.6102 5 E 4.3707 8.9674 114.7923 57.3753 30.6480 176.0066 6 L 4.1401 7.8013 119.4508 56.5429 42.1488 177.4576 7 Q 4.1742 7.6240 119.6048 55.7767 29.4810 175.7104 8 G 3.7545 8.1291 111.2040 42.9795 0.0000 171.7938 9 K 4.3062 7.5704 121.7273 55.9852 32.8337 176.5550 10 W 5.2247 8.4745 124.9989 55.5134 34.0866 173.3459 11 Y 5.4789 9.1852 119.4105 55.4730 41.6344 174.9829 12 T 4.5056 8.8703 118.7730 64.0144 68.9367 174.3416 13 I 4.2602 9.0900 128.0551 63.1080 38.7074 176.2809 14 V 4.9644 7.4735 113.2812 59.7377 36.4360 174.2241 15 I 5.0896 8.4963 122.5139 59.5583 41.0923 174.2147 16 A 5.6092 9.4500 127.8530 49.3765 21.4311 175.2444 17 A 4.9546 8.3344 121.4776 50.5332 21.9095 176.3383 18 D 4.3450 8.9371 120.0027 55.4117 40.0559 176.4460 19 N 4.7408 7.7983 117.8017 51.1126 38.2436 174.7051 20 L 4.0161 8.3070 126.0121 57.8453 41.8690 178.1429 21 E 4.0557 8.2015 117.0056 59.1306 29.3955 179.0969 22 K 3.8216 8.3036 119.8127 58.1292 31.8519 177.9660 23 I 4.3977 7.5195 109.6834 60.2987 38.6619 175.3828 24 E 4.2713 7.5814 121.7356 55.2316 30.2538 175.4709 25 E 4.1035 8.5145 120.6779 58.3604 29.7311 176.9595 26 G 4.0350 9.1655 114.5173 45.1851 0.0000 173.8390 27 G 3.9052 8.2033 109.6844 44.3028 0.0000 173.1940 28 P 4.3925 0.0000 0.0000 64.4116 31.7244 177.0820 29 L 4.5515 7.9620 117.9357 54.4179 41.7318 176.6950 30 R 4.1804 7.5853 120.5622 55.0368 28.7872 175.1857 31 F 5.0841 7.7981 118.9342 54.8835 41.4258 174.5378 32 Y 4.4907 9.1047 118.8630 56.0426 39.0696 175.4221 33 F 4.7583 9.1769 124.3163 58.4055 40.2334 176.5471 34 R 4.4567 9.2979 117.7711 56.6899 33.7566 174.8628 35 H 5.0307 7.9847 114.7858 55.4771 33.4753 172.6842 36 I 5.1936 8.6776 123.5473 59.6681 40.7454 174.0639 37 D 5.2926 9.2172 126.7932 52.6853 43.2943 174.8044 38 C 5.0899 9.2223 121.0180 55.5068 38.1792 172.9498 39 Y 4.6774 8.6842 120.0355 56.4586 41.7348 175.0308 40 K 3.8637 8.9536 119.8942 58.9672 29.4298 174.9683 41 N 4.3476 8.7176 115.1292 55.6921 37.7566 173.6636 42 C 4.4886 8.3217 109.3324 57.5299 43.8425 173.5189 43 S 4.1861 8.1963 112.8238 59.4222 63.2796 172.6058 44 E 5.5915 8.0354 120.1568 53.2815 33.8170 173.8399 *46 E 4.4867 8.4729 119.4711 56.6551 31.2902 174.5855 47 I 5.0053 8.8493 127.6849 59.8991 40.1625 174.4683 48 T 5.1906 9.0249 124.2636 61.8804 71.0067 173.5862 49 F 5.3631 8.4702 119.8444 56.4717 41.9878 172.2546 50 Y 5.1544 9.5878 117.1404 56.5151 40.7144 175.6113 51 V 5.1964 8.6585 114.3444 59.8975 36.6449 174.4614 52 I 4.8453 8.6244 123.4103 60.5371 38.4839 175.6026 53 T 4.5846 8.6593 123.5342 62.9490 71.7298 173.9602 54 N 4.3667 9.5628 123.2116 54.9688 36.1297 173.8002 55 N 4.3228 8.5025 108.6394 54.1982 36.7907 174.4446 56 Q 4.6644 7.8680 115.1391 53.8480 32.6088 174.1059 57 C 4.7405 8.7576 118.5766 57.2698 36.1491 173.1903 58 S 4.6459 9.3983 118.6015 56.0965 64.4427 172.6706 59 K 3.6175 8.5171 129.1999 56.3322 32.6647 176.1253 60 T 4.5794 8.2987 123.2540 61.7873 73.0141 172.8431 61 T 4.9956 8.1892 113.6138 60.1010 71.6645 173.3459 62 V 4.6792 8.7091 116.1937 59.8236 36.6937 174.1266 63 I 4.5851 8.4432 122.6528 59.5335 39.0144 175.3130 64 G 4.2118 8.5182 113.9946 45.1004 0.0000 171.7652 65 Y 5.2512 8.8496 122.5327 55.7616 40.4058 175.0002 66 L 4.0250 8.8385 127.7813 54.8927 42.9781 176.3520 67 K 4.4896 8.8154 125.5123 54.2315 34.9423 177.6315 68 G 3.5505 8.6847 109.9570 48.6865 0.0000 174.3841 69 N 4.4389 8.0262 114.6216 53.1740 37.5888 175.8076 70 G 3.8720 8.2733 107.7831 45.7575 0.0000 173.3359 71 T 4.6364 7.3585 109.5039 60.2513 72.0437 172.7413 72 Y 4.8694 8.5607 119.9336 56.2138 40.5386 174.7276 73 E 5.3087 8.9088 122.3907 55.0162 32.8403 175.0121 74 T 5.0396 8.8142 117.0949 60.8652 71.6453 172.2950 75 Q 4.9078 8.6594 126.6518 54.8961 30.0282 175.3731 76 F 4.3119 9.5009 123.9404 58.3792 42.1839 173.3150 77 E 3.3894 9.4173 129.7075 57.6973 27.1046 173.4749 78 G 3.7616 7.9155 104.4338 44.1005 0.0000 171.6413 79 N 5.1944 8.6917 115.5381 51.8776 40.8530 174.0237 80 N 5.3758 9.2318 120.9097 51.5221 42.1968 173.7850 81 I 4.8921 8.8881 123.3604 59.6120 40.4862 174.5166 82 F 5.6908 9.0673 122.2230 55.4790 41.9043 173.5274 83 Q 4.9835 8.9535 115.0635 54.8333 31.9982 171.9735 84 P 4.3749 0.0000 0.0000 62.8611 31.9681 176.4181 85 L 4.3860 8.8948 123.3599 56.7887 42.9850 176.7844 86 Y 4.8673 7.3944 116.9844 56.7061 42.1856 173.2352 87 I 4.8598 7.9825 126.8254 59.6251 40.4754 174.6316 88 T 4.6089 8.4819 115.6631 59.5154 71.7790 174.1563 89 S 4.3351 8.7024 116.7110 60.6358 62.9990 175.0064 90 D 4.9667 8.1493 117.3691 52.8239 40.3137 175.2514 91 K 5.1780 8.2728 118.7753 55.3423 37.3509 175.0127 92 I 4.5068 8.2680 123.6255 59.4142 40.5888 174.3550 93 F 4.9456 9.2562 126.6876 56.1124 40.5181 175.0142 94 F 5.2134 9.4482 123.1391 55.9288 42.2858 174.5478 95 T 4.9087 8.8417 116.3154 60.5705 69.6507 172.7542 96 N 5.6270 8.6795 125.2602 51.9286 42.6368 173.3092 97 K 4.6818 9.2143 125.1171 55.1735 34.8265 174.7766 98 N 5.8704 9.0403 127.3080 51.2817 42.4176 172.7606 *100 D 4.6678 8.3352 116.6106 53.2197 40.4552 175.6554 101 R 3.9163 8.4090 117.5330 58.2530 30.0609 176.6159 102 A 4.2219 8.0997 118.6634 52.9745 19.2722 177.9400 103 G 3.9574 8.2502 104.2296 44.8266 0.0000 173.5430 104 Q 4.0878 8.0923 121.4249 55.4865 29.6031 174.7013 105 E 4.7526 8.5806 125.8522 55.1227 31.2316 174.8627 106 T 4.9089 8.8745 122.0358 62.0094 72.1123 173.0598 107 N 5.1645 9.4984 123.7724 51.8967 41.7014 174.1392 *109 I 4.4902 7.9867 120.3547 61.3715 39.2510 174.7075 110 V 4.7794 8.8133 126.3623 61.0225 34.5660 174.1480 111 V 4.5402 8.8301 128.0485 61.1778 33.2143 174.2395 112 A 5.0303 8.8240 130.9411 51.2041 21.0724 175.9642 113 G 4.9416 9.2033 106.9807 45.2569 0.0000 173.4246 114 K 4.3139 9.1084 117.8564 57.0817 31.9678 178.6145 115 G 4.3237 8.0296 118.1753 46.4329 0.0000 173.2299 116 N 4.5800 7.5545 116.5717 52.0062 39.5204 174.7082 117 A 4.2240 8.2093 123.0129 51.8590 19.1580 177.7212 118 L 4.3258 8.2025 119.9842 54.9336 42.4197 178.3354 119 T 4.3598 9.0082 113.9570 60.3846 71.3285 174.1955 120 P 4.2955 0.0000 0.0000 65.8542 31.2439 178.8756 121 E 4.0093 8.1424 116.8834 59.4050 29.4827 179.0233 122 E 4.2051 8.2610 118.5221 59.5793 29.4524 179.1499 123 N 4.4446 8.7448 117.0220 56.2340 38.5439 177.0278 124 E 3.8882 8.2482 120.7114 59.3257 29.7535 178.8904 125 I 3.2738 7.7800 119.8107 64.0853 37.0209 178.1167 126 L 4.2785 8.1688 121.1071 58.3238 41.9042 179.1648 127 V 3.5311 8.0752 118.4052 66.1157 31.4077 177.9552 128 Q 3.9411 8.0876 117.7951 58.9972 28.4136 178.9196 129 F 4.4952 8.0548 118.5487 60.4770 38.8666 177.5633 130 A 4.0600 8.5346 120.8931 55.4667 18.1754 179.3684 131 H 4.2040 8.3837 114.9479 59.1757 28.6285 177.5878 132 E 4.0228 8.2202 119.6040 58.9411 29.5567 178.1008 133 K 4.3071 8.2505 115.5157 55.2119 33.0174 176.4017 134 K 3.8660 7.9565 117.7342 57.8370 29.8066 175.7430 135 I 4.4736 7.8341 118.9201 58.5438 39.3151 174.7083 136 P 4.3584 0.0000 0.0000 62.6399 31.9511 177.7709 137 V 3.6242 8.4552 121.9536 65.4459 31.6855 177.1130 138 E 4.2482 8.1515 115.5696 57.7032 30.1320 176.6619 139 N 4.7140 8.3095 117.5786 53.3036 38.8463 173.9940 140 I 4.4299 7.5951 120.8508 60.6984 37.9241 175.2916 141 L 4.7140 8.8640 127.8543 52.7902 44.6606 175.8079 142 N 4.4773 8.7228 121.7933 53.2954 38.4396 174.9562 143 I 4.0813 8.5189 128.9702 63.4182 37.5873 177.8304 144 L 3.9885 8.0930 120.7438 58.2517 41.6074 178.7318 145 A 4.1866 8.1444 119.3968 54.1002 18.2106 178.0594 146 T 4.4270 7.6425 106.2408 61.4322 69.0284 174.5837 147 D 3.9309 7.9295 123.5036 54.1658 39.4830 175.7394 148 T 4.2649 7.4245 113.1676 61.0259 69.9088 175.8912 149 C 4.2472 7.2852 119.6235 55.3102 41.0556 171.3259 150 P 4.3879 0.0000 0.0000 62.5658 31.4681 176.7405 151 E 4.2727 8.6872 118.8296 57.0067 29.3279 177.1444 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 3 F 8.18 5.16 0.00 3.17 3.19 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 4 A 7.96 4.05 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 5 E 8.97 4.37 0.00 2.02 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 0.00 2.35 2.38 0.00 6 L 7.80 4.14 0.00 1.71 1.66 0.78 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.62 4.17 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 8 G 8.13 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 9 K 7.57 4.31 0.00 1.64 1.42 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.99 1.15 7.81 10 W 8.47 5.22 0.00 2.96 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 11 Y 9.19 5.48 0.00 2.94 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 12 T 8.87 4.51 4.11 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 0.90 0.00 0.00 13 I 9.09 4.26 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.96 0.00 0.00 14 V 7.47 4.96 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 0.93 0.00 0.00 15 I 8.50 5.09 1.78 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 0.97 0.62 0.93 0.00 0.00 16 A 9.45 5.61 1.21 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 0.00 0.00 17 A 8.33 4.95 1.19 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 18 D 8.94 4.34 0.00 2.83 2.84 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 19 N 7.80 4.74 0.00 2.80 3.00 0.00 0.00 6.80 6.74 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 20 L 8.31 4.02 0.00 1.92 1.67 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.20 4.06 0.00 2.21 2.21 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 2.37 2.35 0.00 22 K 8.30 3.82 0.00 1.95 1.91 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.59 7.81 23 I 7.52 4.40 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.91 0.00 0.00 24 E 7.58 4.27 0.00 2.03 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 2.33 2.52 0.00 25 E 8.51 4.10 0.00 1.96 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 2.34 2.38 0.00 26 G 9.17 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 27 G 8.20 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 28 P 0.00 4.39 0.00 2.15 2.16 0.00 3.86 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 1.98 1.97 0.00 29 L 7.96 4.55 0.00 1.77 1.73 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.59 4.18 0.00 1.78 1.88 0.00 3.41 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.39 0.00 31 F 7.80 5.08 0.00 2.88 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 32 Y 9.10 4.49 0.00 3.15 3.06 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 0.00 0.00 0.00 0.00 33 F 9.18 4.76 0.00 3.01 3.19 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 34 R 9.30 4.46 0.00 1.90 1.98 0.00 3.67 0.00 0.00 3.37 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 35 H 7.98 5.03 0.00 3.24 3.14 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.68 5.19 2.18 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.92 0.00 0.00 37 D 9.22 5.29 0.00 2.66 2.42 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 38 C 9.22 5.09 0.00 2.82 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 39 Y 8.68 4.68 0.00 2.92 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 40 K 8.95 3.86 0.00 2.08 1.90 0.00 1.92 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 41 N 8.72 4.35 0.00 2.81 2.84 0.00 0.00 7.35 7.65 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 42 C 8.32 4.49 0.00 3.22 3.35 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 43 S 8.20 4.19 0.00 4.13 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 44 E 8.04 5.59 0.00 2.11 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 2.31 2.23 0.00 *46 E 8.47 4.49 0.00 2.21 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 2.34 2.50 0.00 47 I 8.85 5.01 1.78 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 1.23 0.56 0.92 0.00 0.00 48 T 9.02 5.19 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 1.16 0.00 0.00 49 F 8.47 5.36 0.00 3.28 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 50 Y 9.59 5.15 0.00 3.04 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 51 V 8.66 5.20 2.36 0.00 0.00 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 1.20 0.00 0.00 52 I 8.62 4.85 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.87 1.04 0.00 0.00 53 T 8.66 4.58 4.31 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 1.25 0.00 0.00 54 N 9.56 4.37 0.00 2.86 2.89 0.00 0.00 7.15 8.00 0.00 0.00 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 N 8.50 4.32 0.00 2.86 2.89 0.00 0.00 6.95 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 56 Q 7.87 4.66 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 57 C 8.76 4.74 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.40 4.65 0.00 3.92 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 59 K 8.52 3.62 0.00 1.29 1.40 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.93 0.36 7.81 60 T 8.30 4.58 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 0.82 0.00 0.00 61 T 8.19 5.00 4.31 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 1.17 0.00 0.00 62 V 8.71 4.68 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 0.83 0.00 0.00 0.86 0.00 0.00 63 I 8.44 4.59 1.72 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 1.28 0.86 0.10 0.00 0.00 64 G 8.52 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 0.00 0.00 0.00 0.00 65 Y 8.85 5.25 0.00 2.94 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 66 L 8.84 4.03 0.00 1.17 1.56 0.39 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.82 4.49 0.00 1.58 1.66 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.48 7.81 68 G 8.68 3.55 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 0.00 69 N 8.03 4.44 0.00 2.84 2.93 0.00 0.00 6.14 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 70 G 8.27 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 0.00 0.00 0.00 71 T 7.36 4.64 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 1.21 0.00 0.00 72 Y 8.56 4.87 0.00 1.43 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 0.00 0.00 0.00 73 E 8.91 5.31 0.00 1.98 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 2.22 2.20 0.00 74 T 8.81 5.04 4.48 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 1.29 0.00 0.00 75 Q 8.66 4.91 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 76 F 9.50 4.31 0.00 2.86 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 77 E 9.42 3.39 0.00 1.88 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 1.47 2.05 0.00 78 G 7.92 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 0.00 0.00 0.00 79 N 8.69 5.19 0.00 2.67 2.76 0.00 0.00 6.68 6.92 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 80 N 9.23 5.38 0.00 2.82 2.75 0.00 0.00 6.44 7.89 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 81 I 8.89 4.89 1.91 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 1.31 0.87 0.92 0.00 0.00 82 F 9.07 5.69 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.95 4.98 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 84 P 0.00 4.37 0.00 1.94 1.62 0.00 3.19 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.65 0.00 85 L 8.89 4.39 0.00 1.11 0.95 0.18 0.54 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 86 Y 7.39 4.87 0.00 3.16 2.83 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 87 I 7.98 4.86 1.75 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 1.11 0.65 0.84 0.00 0.00 88 T 8.48 4.61 4.26 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 1.13 0.00 0.00 89 S 8.70 4.34 0.00 3.90 3.97 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 90 D 8.15 4.97 0.00 2.83 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 91 K 8.27 5.18 0.00 1.83 1.58 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.50 7.81 92 I 8.27 4.51 0.83 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 0.39 -0.36 -0.50 0.00 0.00 93 F 9.26 4.95 0.00 2.96 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 94 F 9.45 5.21 0.00 2.87 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 95 T 8.84 4.91 4.22 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 1.28 0.00 0.00 96 N 8.68 5.63 0.00 2.68 2.59 0.00 0.00 6.88 6.68 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 97 K 9.21 4.68 0.00 1.74 1.95 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.38 7.81 98 N 9.04 5.87 0.00 2.83 2.70 0.00 0.00 6.76 8.96 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 *100 D 8.34 4.67 0.00 2.93 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 0.00 101 R 8.41 3.92 0.00 1.74 1.97 0.00 3.25 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 102 A 8.10 4.22 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 0.00 103 G 8.25 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 0.00 104 Q 8.09 4.09 0.00 2.04 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 105 E 8.58 4.75 0.00 1.95 1.82 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 2.24 2.39 0.00 106 T 8.87 4.91 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 1.27 0.00 0.00 107 N 9.50 5.16 0.00 2.78 2.74 0.00 0.00 6.58 8.35 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 *109 I 7.99 4.49 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 1.09 0.00 0.00 110 V 8.81 4.78 2.27 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 0.91 0.00 0.00 1.01 0.00 0.00 111 V 8.83 4.54 1.92 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 0.32 0.00 0.00 0.75 0.00 0.00 112 A 8.82 5.03 0.68 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 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.20 4.94 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 0.00 114 K 9.11 4.31 0.00 1.63 1.80 0.00 1.44 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.34 1.18 7.81 115 G 8.03 4.32 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 0.00 116 N 7.55 4.58 0.00 2.75 2.77 0.00 0.00 6.86 7.35 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 0.00 117 A 8.21 4.22 1.25 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 0.00 0.00 118 L 8.20 4.33 0.00 1.70 1.69 1.08 0.87 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 0.00 119 T 9.01 4.36 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 1.25 0.00 0.00 120 P 0.00 4.30 0.00 2.19 2.16 0.00 3.62 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 2.13 2.20 0.00 121 E 8.14 4.01 0.00 2.05 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 2.40 2.41 0.00 122 E 8.26 4.21 0.00 2.41 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 2.65 2.52 0.00 123 N 8.74 4.44 0.00 2.88 2.90 0.00 0.00 6.65 7.34 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 0.00 124 E 8.25 3.89 0.00 2.07 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 2.24 2.30 0.00 125 I 7.78 3.27 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.72 -0.13 0.00 0.00 126 L 8.17 4.28 0.00 2.14 2.02 1.15 0.86 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 0.00 127 V 8.08 3.53 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 0.98 0.00 0.00 0.98 0.00 0.00 128 Q 8.09 3.94 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 129 F 8.05 4.50 0.00 3.28 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 0.00 130 A 8.53 4.06 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 0.00 131 H 8.38 4.20 0.00 3.34 3.34 0.00 5.63 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 E 8.22 4.02 0.00 2.04 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 133 K 8.25 4.31 0.00 1.82 1.88 0.00 1.97 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.75 1.66 7.81 134 K 7.96 3.87 0.00 1.96 1.92 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.56 7.81 135 I 7.83 4.47 1.92 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 1.33 0.79 0.91 0.00 0.00 136 P 0.00 4.36 0.00 2.19 2.00 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 137 V 8.46 3.62 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 1.03 0.00 0.00 0.92 0.00 0.00 138 E 8.15 4.25 0.00 2.13 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 0.00 2.29 2.34 0.00 139 N 8.31 4.71 0.00 3.02 2.99 0.00 0.00 6.90 7.53 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 0.00 140 I 7.60 4.43 1.98 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 1.27 0.52 0.94 0.00 0.00 141 L 8.86 4.71 0.00 1.63 1.53 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.72 4.48 0.00 2.74 2.77 0.00 0.00 7.06 7.94 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 0.00 143 I 8.52 4.08 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.52 0.63 0.00 0.00 144 L 8.09 3.99 0.00 1.78 1.86 0.89 1.31 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 0.00 145 A 8.14 4.19 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 0.00 146 T 7.64 4.43 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 147 D 7.93 3.93 0.00 2.84 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 0.00 148 T 7.42 4.26 4.11 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 1.11 0.00 0.00 149 C 7.29 4.25 0.00 2.18 1.62 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 0.00 150 P 0.00 4.39 0.00 2.06 1.98 0.00 2.94 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 151 E 8.69 4.27 0.00 2.02 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 2.36 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.