NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3947 8.2601 123.5850 51.5936 21.5194 178.2798 2 A 4.0153 8.0223 127.4248 51.9995 17.7687 177.4146 3 K 3.6657 10.1189 122.2719 56.7580 29.1569 171.0700 4 I 3.6347 7.8914 120.9720 60.2743 37.8573 172.8947 5 R 4.4094 8.5807 125.2557 55.2214 32.1738 172.7889 6 R 4.2049 8.5958 113.8741 58.2453 29.2080 175.4439 7 D 4.5672 9.4163 122.9267 55.2575 39.9780 174.1211 8 D 4.7512 7.6979 118.6704 51.8829 39.6663 175.7919 9 E 4.4374 8.2444 121.9493 56.4223 31.4432 176.1725 10 V 4.9006 8.1169 113.2457 60.8825 36.7401 172.4995 11 I 4.8865 8.1880 120.9801 59.7007 41.6842 175.4937 12 V 4.4865 8.1453 124.2624 61.4573 31.7666 176.2217 13 L 3.9704 8.7301 130.9140 57.4418 42.3144 177.2715 14 T 4.4335 7.4686 106.1797 60.5625 71.6902 170.4088 15 G 3.5679 8.7119 117.5850 46.0838 0.0000 174.2724 16 K 4.0189 9.4182 125.1865 56.6453 31.5056 176.5174 17 D 4.5831 8.1120 113.0888 55.6409 43.9836 174.9276 18 K 4.6217 7.4786 117.1936 57.3589 32.6624 176.9592 19 G 4.1674 8.8275 110.3165 45.7830 0.0000 174.7168 20 K 4.1216 7.5799 118.9493 55.9851 32.3988 177.2518 21 R 4.2744 8.5335 122.9599 56.9298 31.4096 177.4761 22 G 4.0944 8.8780 108.6219 45.2541 0.0000 172.0688 23 K 4.4118 8.3107 131.5510 56.4017 35.0755 178.0533 24 V 2.8854 9.7498 111.7722 60.4053 33.7976 178.0295 25 K 4.0123 7.6462 121.5644 55.9807 31.6128 174.3447 26 N 4.3170 7.9908 115.2608 53.9216 41.0613 173.8300 27 V 5.0772 7.8807 122.5284 61.9360 34.3006 171.2755 28 L 4.6247 7.8634 117.6409 54.1260 44.6276 175.1802 29 S 4.5592 8.6173 115.5906 59.3717 64.1120 173.9610 30 S 4.4119 9.0115 125.0906 59.1571 61.6696 171.1752 31 G 4.1785 7.7226 105.5318 44.9913 0.0000 171.3488 32 K 4.5056 8.3856 118.1482 54.5652 34.6623 176.0132 33 V 4.2161 8.2908 116.7572 61.3344 31.9931 176.5416 34 I 4.4075 8.1094 121.6443 60.0666 39.6867 177.6510 35 V 3.1438 7.6225 122.2880 63.2000 32.2225 174.9291 36 E 5.2154 8.5789 123.5692 56.2830 31.9802 176.9518 37 G 3.9388 8.2861 105.6061 45.3867 0.0000 173.2551 38 I 4.1764 8.7536 120.9578 59.2055 38.1187 172.9124 39 N 4.3856 7.8132 120.9463 51.6801 40.1227 173.2124 40 L 4.4265 7.9596 127.2963 54.6684 45.1594 177.9644 41 V 3.1823 7.2290 120.3652 62.6049 29.3956 173.8077 42 K 4.6044 8.0192 127.3031 54.5943 34.5156 176.4978 43 K 4.5770 8.2377 120.9761 56.2018 33.5001 175.2172 44 H 4.7490 8.5238 122.9562 54.7188 31.4939 174.2407 45 Q 4.6632 8.2277 120.5249 55.9908 30.0214 176.8831 46 K 4.6129 8.0608 112.3729 56.7672 33.6268 174.4290 47 P 4.6026 0.0000 0.0000 62.7754 30.9208 178.5571 48 V 4.3007 7.7396 119.5167 59.3666 31.5786 173.7948 49 P 4.2025 0.0000 0.0000 64.5742 32.2169 178.0801 50 A 4.2964 7.4389 120.6899 51.9883 18.7539 176.7566 51 L 4.3738 8.4140 114.4211 56.2546 42.6810 178.3417 52 N 4.9181 7.9094 115.0753 54.6452 38.2800 175.9465 53 Q 4.4331 7.9553 119.9562 54.0339 27.2808 174.1115 54 P 4.4515 0.0000 0.0000 61.5453 32.6104 178.5535 55 G 4.9425 8.5426 120.0120 46.6951 0.0000 172.2988 56 G 4.1802 8.3218 107.0587 45.7630 0.0000 174.8663 57 I 3.4774 6.8970 106.6685 62.1961 41.0347 177.8261 58 V 3.1431 8.2147 113.4207 62.4497 31.9527 174.9294 59 E 4.1447 9.1570 125.5327 56.1472 29.6378 175.6606 60 K 4.2037 7.4749 126.4486 57.1744 36.1416 176.8490 61 E 4.7845 9.1922 116.5496 54.1077 32.6628 173.9677 62 A 4.3732 8.0341 120.0406 50.5527 20.7165 175.0005 63 A 4.2699 8.1192 116.4663 48.0374 17.5103 176.2849 64 I 3.3175 7.7049 118.9898 58.9620 39.3702 173.5109 65 Q 4.2278 8.1666 122.7315 55.7272 29.1872 177.7323 66 V 3.9442 8.3385 113.0210 62.2772 31.0227 177.4711 67 S 4.2780 7.6023 118.2690 58.6173 60.5361 172.5730 68 N 4.3861 7.7380 122.3553 53.2940 42.4001 172.5019 69 V 4.4068 8.0809 119.4150 60.9858 33.3677 175.5116 70 A 4.2769 8.6236 128.9076 51.9030 18.6627 177.1886 71 I 4.2895 8.9471 121.1526 63.2813 38.1516 173.4769 72 F 4.2776 8.7259 118.5612 56.6758 38.4467 174.6806 73 N 4.7294 8.8814 114.9452 53.2655 44.2192 174.5075 74 A 4.4940 8.7346 119.7840 52.3401 20.0206 177.6963 75 A 4.0756 9.9112 125.1501 53.1917 17.2973 181.1940 76 T 3.5925 8.7683 105.3078 60.3459 73.7484 171.8348 77 G 3.7956 9.2501 116.6505 43.1251 0.0000 171.1819 78 K 3.7931 9.1313 123.9322 55.5395 32.6791 175.5411 79 A 4.2765 8.3900 127.1378 51.6159 18.3175 177.0684 80 D 4.5453 8.2925 124.8004 53.6906 40.1360 177.7287 81 R 4.2424 7.8743 120.4475 56.6023 29.5577 176.0939 82 V 4.2860 7.9351 121.2817 61.3618 34.7293 174.4614 83 G 4.0561 8.0064 109.9873 45.4628 0.0000 171.8410 84 F 5.0319 8.4157 130.7386 57.3239 42.4343 173.6268 85 R 4.6946 9.0434 115.6564 55.9831 34.7436 175.2467 86 F 3.8474 8.8733 114.8515 58.5027 36.8955 174.8640 87 E 4.8149 8.1319 118.4850 54.6102 33.1792 176.7409 88 D 4.1600 8.7080 118.3741 57.1865 39.7118 174.5706 89 G 5.1603 8.0382 121.2320 47.5276 0.0000 172.8429 90 K 4.4709 7.5162 117.5746 57.0262 33.8936 175.7540 91 K 4.5462 8.2917 118.3288 56.2852 39.9174 176.0750 92 V 3.5045 7.9713 115.7662 62.2015 29.9938 174.4021 93 R 4.5892 7.9082 117.5345 57.1710 30.0802 173.4354 94 F 4.6695 8.1020 126.6976 59.4777 43.1842 172.3344 95 F 4.6207 9.5734 119.7342 57.4999 42.5850 172.2893 96 K 3.4950 7.3131 119.4168 57.3236 32.0466 174.9943 97 S 4.4208 7.9182 120.0132 59.2978 61.9821 173.2303 98 N 5.0103 8.0835 133.5103 54.3554 40.7165 174.3828 99 S 4.8263 8.2539 112.5275 57.6356 63.4537 175.9612 100 E 4.9378 8.7904 117.6991 53.8058 32.3721 174.0239 101 T 2.9854 6.6698 111.6485 62.4084 67.4194 172.6031 102 I 4.2059 7.6973 129.7023 60.2192 41.2862 175.7244 *103 K 4.1215 8.5652 123.6491 54.9395 32.2370 175.4615 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 A 8.26 4.39 1.30 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 0.00 0.00 0.00 2 A 8.02 4.02 1.09 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 0.00 0.00 3 K 10.12 3.67 0.00 1.95 1.94 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.46 7.81 4 I 7.89 3.63 1.89 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 1.32 0.58 0.93 0.00 0.00 5 R 8.58 4.41 0.00 1.80 1.77 0.00 3.20 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 6 R 8.60 4.20 0.00 1.96 1.97 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 7 D 9.42 4.57 0.00 2.76 2.81 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 8 D 7.70 4.75 0.00 2.76 2.68 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 9 E 8.24 4.44 0.00 1.91 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 2.41 2.22 0.00 10 V 8.12 4.90 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 0.94 0.00 0.00 1.04 0.00 0.00 11 I 8.19 4.89 1.92 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 1.38 1.07 0.88 0.00 0.00 12 V 8.15 4.49 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 0.97 0.00 0.00 1.03 0.00 0.00 13 L 8.73 3.97 0.00 1.63 1.67 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.47 4.43 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 1.20 0.00 0.00 15 G 8.71 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.42 4.02 0.00 1.89 1.96 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.47 7.81 17 D 8.11 4.58 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.48 4.62 0.00 1.85 1.74 0.00 2.03 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.43 7.81 19 G 8.83 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 20 K 7.58 4.12 0.00 1.90 1.79 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.53 7.81 21 R 8.53 4.27 0.00 1.73 1.90 0.00 3.38 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 22 G 8.88 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 0.00 0.00 0.00 23 K 8.31 4.41 0.00 1.76 1.75 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.65 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.41 7.81 24 V 9.75 2.89 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 0.92 0.00 0.00 0.99 0.00 0.00 25 K 7.65 4.01 0.00 1.96 1.86 0.00 1.94 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.72 7.81 26 N 7.99 4.32 0.00 2.78 2.63 0.00 0.00 6.44 7.71 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 27 V 7.88 5.08 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 1.10 0.00 0.00 0.99 0.00 0.00 28 L 7.86 4.62 0.00 1.59 1.60 0.92 0.83 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 29 S 8.62 4.56 0.00 3.86 3.79 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 0.00 0.00 0.00 0.00 30 S 9.01 4.41 0.00 4.04 4.06 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 31 G 7.72 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 0.00 0.00 0.00 0.00 32 K 8.39 4.51 0.00 1.90 1.91 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 33 V 8.29 4.22 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 1.09 0.00 0.00 1.05 0.00 0.00 34 I 8.11 4.41 1.88 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 1.35 0.94 0.92 0.00 0.00 35 V 7.62 3.14 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 0.80 0.00 0.00 0.95 0.00 0.00 36 E 8.58 5.22 0.00 1.98 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 2.07 2.06 0.00 37 G 8.29 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 0.00 0.00 0.00 38 I 8.75 4.18 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 1.48 0.64 0.92 0.00 0.00 39 N 7.81 4.39 0.00 3.03 2.88 0.00 0.00 6.89 7.78 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 40 L 7.96 4.43 0.00 1.58 1.46 0.92 1.03 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 41 V 7.23 3.18 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 0.77 0.00 0.00 0.94 0.00 0.00 42 K 8.02 4.60 0.00 2.04 1.78 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.46 7.81 43 K 8.24 4.58 0.00 1.78 1.79 0.00 1.43 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.51 7.81 44 H 8.52 4.75 0.00 3.12 3.34 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.23 4.66 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.20 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 46 K 8.06 4.61 0.00 1.78 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.53 7.81 47 P 0.00 4.60 0.00 2.07 2.07 0.00 3.62 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 2.02 2.07 0.00 48 V 7.74 4.30 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 1.01 0.00 0.00 0.99 0.00 0.00 49 P 0.00 4.20 0.00 2.07 2.14 0.00 3.73 0.00 0.00 3.68 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 50 A 7.44 4.30 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 51 L 8.41 4.37 0.00 1.69 1.65 0.92 0.60 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 52 N 7.91 4.92 0.00 2.75 2.82 0.00 0.00 6.87 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 53 Q 7.96 4.43 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.55 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 54 P 0.00 4.45 0.00 2.04 1.99 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 55 G 8.54 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 56 G 8.32 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 0.00 0.00 0.00 0.00 57 I 6.90 3.48 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 1.29 1.57 0.92 0.00 0.00 58 V 8.21 3.14 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 0.85 0.00 0.00 0.93 0.00 0.00 59 E 9.16 4.14 0.00 2.18 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 2.19 2.28 0.00 60 K 7.47 4.20 0.00 1.65 0.74 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.31 7.81 61 E 9.19 4.78 0.00 1.91 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 2.19 2.32 0.00 62 A 8.03 4.37 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 63 A 8.12 4.27 1.36 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 0.00 0.00 0.00 0.00 0.00 64 I 7.70 3.32 1.88 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 1.42 1.02 0.92 0.00 0.00 65 Q 8.17 4.23 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 66 V 8.34 3.94 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 0.71 0.00 0.00 0.93 0.00 0.00 67 S 7.60 4.28 0.00 3.81 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 68 N 7.74 4.39 0.00 2.83 2.68 0.00 0.00 7.11 7.71 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 69 V 8.08 4.41 2.37 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 0.98 0.00 0.00 0.90 0.00 0.00 70 A 8.62 4.28 1.30 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 0.00 0.00 0.00 71 I 8.95 4.29 2.10 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 1.12 1.26 1.30 0.00 0.00 72 F 8.73 4.28 0.00 3.34 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 73 N 8.88 4.73 0.00 2.65 2.72 0.00 0.00 6.81 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 74 A 8.73 4.49 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 75 A 9.91 4.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.77 3.59 3.80 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 0.54 0.00 0.00 77 G 9.25 3.80 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 0.00 0.00 0.00 78 K 9.13 3.79 0.00 1.85 1.81 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.40 7.81 79 A 8.39 4.28 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 80 D 8.29 4.55 0.00 2.70 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 81 R 7.87 4.24 0.00 1.78 1.93 0.00 3.23 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 82 V 7.94 4.29 1.76 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 -0.14 0.00 0.00 0.96 0.00 0.00 83 G 8.01 4.06 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 0.00 0.00 0.00 84 F 8.42 5.03 0.00 3.28 3.17 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 85 R 9.04 4.69 0.00 2.29 2.02 0.00 3.33 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 86 F 8.87 3.85 0.00 3.16 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 87 E 8.13 4.81 0.00 2.00 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 2.31 2.75 0.00 88 D 8.71 4.16 0.00 2.82 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 89 G 8.04 5.16 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 0.00 90 K 7.52 4.47 0.00 1.87 1.93 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.44 7.81 91 K 8.29 4.55 0.00 1.74 1.87 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 92 V 7.97 3.50 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 0.76 0.00 0.00 1.15 0.00 0.00 93 R 7.91 4.59 0.00 1.99 1.92 0.00 3.28 0.00 0.00 3.28 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 94 F 8.10 4.67 0.00 3.06 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 95 F 9.57 4.62 0.00 2.96 3.13 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 0.00 0.00 0.00 96 K 7.31 3.49 0.00 1.80 1.20 0.00 2.31 0.00 0.00 2.07 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.80 1.59 7.81 97 S 7.92 4.42 0.00 4.04 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 98 N 8.08 5.01 0.00 2.75 3.06 0.00 0.00 7.00 7.63 0.00 0.00 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 S 8.25 4.83 0.00 4.02 3.04 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 0.00 100 E 8.79 4.94 0.00 1.91 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 2.19 2.19 0.00 101 T 6.67 2.99 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 102 I 7.70 4.21 0.80 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.63 0.31 0.00 0.00 *103 K 8.57 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.