NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.8065 8.4449 116.3204 56.0436 30.5245 173.3524 4 H 4.7834 7.8548 111.6980 55.6432 29.3930 172.3571 5 H 4.4706 8.0640 116.7992 55.2941 30.8704 175.4005 6 H 4.1835 8.8063 121.8374 56.7809 30.1666 173.9557 7 H 4.8065 8.3282 125.5996 54.4293 31.8052 173.6380 8 H 4.4540 8.2343 128.4205 55.6546 31.5865 173.7320 *10 R 4.4930 8.2588 115.0785 56.4335 31.9394 174.8595 11 K 4.6713 9.2014 121.0335 54.6642 36.5425 175.2272 12 I 4.8739 8.0659 124.3614 59.3892 40.6970 173.9655 13 Y 4.5743 8.8664 129.2510 57.7880 39.7906 174.7541 14 I 4.4696 8.0298 129.2035 60.0390 36.4826 174.0641 15 A 4.2663 8.9275 128.0070 49.4213 20.1294 176.7595 16 G 4.4956 8.1600 113.4451 44.0734 0.0000 171.1413 17 P 4.2291 0.0000 0.0000 62.6992 31.5082 177.9486 18 A 3.6130 7.1674 123.9699 55.2641 18.2073 180.6333 19 V 3.4722 7.3327 114.2240 64.4077 31.1189 176.9083 20 F 4.7926 7.4981 117.1428 57.4972 39.1843 175.8699 21 N 4.5626 7.9456 119.5079 52.5265 38.9327 174.0899 22 P 4.2176 0.0000 0.0000 65.5959 31.8792 177.4788 23 D 4.3892 7.7468 117.3837 55.3938 40.2548 178.5007 *25 G 3.4546 7.8062 107.2269 43.4534 0.0000 173.7457 26 A 4.0449 8.0476 122.9613 55.4874 18.2509 180.1936 27 S 4.0550 8.5277 112.4735 61.6674 62.9978 176.0637 28 Y 3.8409 7.7074 122.5927 60.6657 38.7027 177.3720 29 Y 4.1855 8.1937 117.9432 61.0792 37.9263 178.3016 30 N 4.3305 8.6367 117.9290 56.1956 38.6184 177.5912 31 K 3.8278 7.6744 119.4564 59.2101 32.0177 179.5098 32 V 2.8724 7.2242 118.3409 65.8187 31.3686 178.0500 33 R 3.7639 8.1273 118.0438 59.3422 29.7797 178.6646 34 E 3.8612 8.0689 118.7568 59.1085 29.4193 178.6023 35 L 3.8962 7.4823 119.1328 58.2739 42.5064 178.6996 36 L 3.9932 7.9258 119.0750 57.2594 41.5840 179.0793 37 K 3.8604 8.1127 119.8419 59.7221 31.8278 178.8976 38 K 4.1247 7.6075 116.9294 58.5036 31.9272 178.1159 39 E 4.6110 7.9051 115.8751 54.7211 30.3512 174.8802 40 N 4.2257 7.8938 115.8533 54.8757 38.6025 174.0899 41 V 4.9760 7.7790 118.6466 60.4284 34.3780 172.5760 *43 P 4.2188 0.0000 0.0000 62.7446 32.6154 176.5508 44 L 4.5125 9.0697 124.2436 53.4612 43.1969 175.1307 45 I 4.2380 7.8356 125.2288 58.5196 38.7984 175.3530 46 P 4.7422 0.0000 0.0000 64.7938 31.2646 177.1111 47 T 4.5373 7.1879 104.3371 60.7042 69.4519 174.5862 48 D 4.2697 7.9228 123.8159 55.9980 41.3499 176.0335 49 N 4.1076 8.7850 121.2180 53.8737 36.2571 174.5338 50 E 3.8622 7.9259 117.6649 56.1704 30.4506 176.2585 51 A 4.3109 8.3865 129.3477 51.9964 19.6703 176.5919 52 T 4.3053 8.2270 107.7823 62.9550 70.1789 175.7269 53 E 4.3836 7.8888 121.8096 54.7870 31.5620 176.5049 54 A 3.9990 8.6439 125.7874 55.6923 18.4064 180.0479 55 L 3.9194 7.8722 116.5979 57.9033 41.6605 179.4352 56 D 4.3315 7.9878 118.5420 57.2532 40.8753 178.5598 57 I 3.6780 7.8492 120.3470 64.3230 37.0444 178.3771 58 R 3.8165 8.1738 119.6741 59.5336 29.9043 178.2623 59 Q 3.9554 8.2621 119.3972 59.2078 28.8152 178.3907 60 K 3.9777 7.9985 118.4524 59.5755 32.4839 178.8198 61 N 4.5668 8.2549 116.8046 56.3063 38.4612 177.5671 62 I 3.7181 8.0709 121.5891 64.1072 37.1956 179.1048 63 Q 4.2521 8.0972 119.7080 56.2383 28.7219 178.0990 *65 I 3.8701 7.7715 120.3707 60.7348 39.1123 178.2837 66 K 3.9217 7.9963 118.3736 59.3714 31.9028 177.9113 67 D 4.5632 8.0171 117.1305 55.5828 41.2259 176.6056 68 C 4.4971 7.4329 113.9518 57.9324 30.5928 173.0549 69 D 4.7351 8.7857 120.2770 56.2248 41.5071 176.7914 70 A 4.7953 7.7207 117.6218 50.6716 23.2968 175.0119 71 V 4.8703 8.5016 119.0213 61.3095 34.3267 174.4385 72 I 5.0442 8.5116 128.4016 59.8326 39.1704 174.2519 73 A 5.1171 9.3587 130.1177 50.0859 21.4445 174.9314 74 D 3.4904 9.0084 124.0720 52.8454 41.0504 175.6409 75 L 4.5732 7.9665 127.9749 54.4827 41.9331 177.5877 76 S 4.5056 8.1751 115.1787 57.4677 64.2275 172.4072 77 P 4.3461 0.0000 0.0000 63.6251 31.0652 175.4934 78 F 4.7356 8.7374 123.8581 57.2080 41.3418 174.3214 79 R 3.4643 8.9718 128.0379 56.3598 27.5243 175.8030 80 G 3.6418 7.8261 104.3682 44.6922 0.0000 173.7622 81 H 4.4236 8.3725 116.2491 57.3763 29.2514 175.4733 82 E 4.4984 7.9798 119.9393 54.5996 30.3671 174.4274 83 P 5.0504 0.0000 0.0000 61.5370 32.3622 176.0937 84 D 4.6310 8.4259 119.0628 54.4624 42.4338 176.7449 85 C 4.3569 8.9183 122.3078 61.1674 29.8816 176.3411 86 G 3.6383 8.2944 108.0003 48.0690 0.0000 175.6639 87 T 4.2714 8.7086 119.7223 65.7181 68.4503 176.5733 88 A 3.9640 8.1303 122.7390 55.0736 18.3176 179.3029 89 F 4.0107 8.6877 119.5408 61.7035 39.2968 177.2983 90 E 4.0102 8.4573 117.9989 59.3151 29.2240 179.4912 91 V 3.7119 8.1851 118.7234 65.7980 31.5820 178.3457 92 G 3.4467 8.0913 105.4947 47.7681 0.0000 174.9871 93 C 3.7833 7.8894 121.4390 62.1710 31.4540 175.5744 94 A 3.9460 8.0021 121.8614 55.0583 18.0398 179.3914 95 A 3.8848 8.1608 119.0701 55.3789 18.2609 179.7813 96 A 3.9894 7.8121 117.9742 54.7354 18.4499 178.8128 97 L 4.3411 7.3843 114.5211 53.7888 41.9666 176.3236 98 N 4.3762 7.7552 114.8157 54.3880 38.1219 175.2176 99 K 4.4727 8.0589 125.8042 56.8138 32.3648 180.8366 *101 V 4.0895 8.7621 127.5797 63.6241 32.5787 172.9341 102 L 5.1201 9.3418 128.1722 53.1324 44.6468 175.6543 103 T 5.4412 8.9145 113.3537 59.9879 72.2757 172.7290 104 F 6.1929 8.9457 117.1165 55.2011 42.0484 173.0117 105 T 5.0757 8.6165 112.6112 60.9679 69.9266 173.7423 106 S 4.4264 8.8613 120.8682 59.5122 63.5373 173.8865 107 D 4.5447 8.2219 120.3259 53.1428 42.1038 174.6622 108 R 4.3541 8.4671 124.4562 55.9964 31.0341 177.5826 109 R 4.1753 7.6830 118.4571 55.9920 31.8230 178.1774 110 N 5.1926 8.4342 116.3523 52.4290 38.1625 178.8497 *112 R 4.6303 8.5381 123.2625 57.3940 32.0514 177.4451 113 E 3.9914 8.1812 116.4132 59.3011 29.8416 178.3806 114 K 3.9238 8.0932 117.3185 59.6660 31.6535 178.0368 115 Y 4.0025 8.0140 114.8610 58.3550 38.2434 177.1425 116 G 3.8302 8.8810 107.2799 45.5649 0.0000 172.6500 117 S 4.4790 7.3672 113.7707 57.4195 65.8414 175.5161 118 G 3.9165 8.4256 109.9476 46.3688 0.0000 173.7168 119 V 4.7657 7.3956 112.1493 59.3043 35.7110 175.3735 120 D 4.8095 8.5100 122.3463 52.0160 41.2055 177.1080 121 K 4.0592 8.6932 117.2122 59.6236 32.4706 177.1591 122 D 4.6888 8.2265 117.6011 53.6983 40.9499 175.6668 123 N 4.2646 8.1328 115.7243 54.3512 37.9643 173.4740 124 L 4.5047 8.1201 116.7048 53.0021 43.3030 176.5950 125 R 4.3352 8.5936 122.6268 56.5411 30.8136 175.9856 126 V 4.1545 8.4594 124.1693 60.7608 32.7055 175.5067 127 E 4.1208 9.0399 127.3154 57.2746 30.4332 177.0211 128 G 4.2733 8.3030 109.4835 44.6132 0.0000 172.6852 129 F 4.6066 7.8776 112.5476 56.7973 40.4868 176.0972 130 G 3.8789 8.2848 107.4608 46.6763 0.0000 173.8127 131 L 4.5618 7.4976 117.7981 51.6300 44.7973 175.8634 132 P 4.7578 0.0000 0.0000 63.6024 31.7307 175.3136 133 F 4.8121 7.0572 112.3327 55.4510 40.2943 172.6011 134 N 4.5255 9.3504 117.7317 53.3898 39.4005 175.7787 135 L 4.2527 8.9481 129.4165 55.6915 38.9041 178.3158 *137 L 4.2642 7.6198 116.0475 54.9797 43.8855 176.4714 138 Y 4.8634 8.0773 120.6201 55.8611 40.1309 174.6853 139 D 4.6332 8.2386 124.6613 52.7514 40.1827 175.9575 140 G 3.7483 6.2753 108.6051 45.9258 0.0000 175.0081 141 V 3.6053 7.1575 119.0424 61.8882 32.0677 175.2781 142 E 3.7181 8.3976 126.6609 56.6120 29.7186 176.5534 143 V 3.8483 8.0657 125.2903 62.1303 31.9119 175.8218 144 F 4.6733 8.9078 126.7820 57.2694 39.7185 176.1759 145 D 5.0192 8.7423 120.8107 55.6717 41.6333 177.1096 146 S 4.3766 7.5979 112.8842 55.8059 66.7159 175.0037 147 F 3.2592 7.4477 123.7607 61.2262 39.0224 176.8597 148 E 4.0732 8.1448 117.8379 59.5959 29.1974 179.4514 149 S 4.1138 8.0110 113.9116 61.2661 63.0793 176.3755 150 A 2.5800 7.4521 123.8733 54.3851 18.0765 179.3832 151 F 4.1957 8.0957 119.4926 61.2719 39.4705 177.5110 152 K 3.7742 8.0093 118.3131 59.3836 31.8342 178.6039 153 Y 3.9283 7.5574 119.9306 60.4985 38.6149 177.7573 154 F 4.1332 8.2239 121.5629 61.5912 39.2853 177.1629 155 L 3.7752 7.6512 116.6633 57.5809 41.3871 179.0433 156 A 4.0613 7.5817 119.4863 53.6773 18.5433 177.6786 157 N 4.6413 7.4112 111.7266 53.0319 40.0857 175.1190 158 F 4.2425 7.7705 120.4894 55.3720 39.2208 171.9626 159 P 4.5328 0.0000 0.0000 61.4660 32.7354 177.5815 160 S 4.3998 8.4199 113.5989 58.9602 62.8694 174.5075 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 H 8.44 4.81 0.00 3.20 3.46 0.00 5.46 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 7.85 4.78 0.00 3.18 3.26 0.00 5.89 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 5 H 8.06 4.47 0.00 3.15 3.29 0.00 5.91 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 6 H 8.81 4.18 0.00 3.15 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.33 4.81 0.00 3.07 3.14 0.00 5.97 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.23 4.45 0.00 3.16 3.25 0.00 6.01 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 R 8.26 4.49 0.00 2.01 2.13 0.00 3.42 0.00 0.00 3.61 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 11 K 9.20 4.67 0.00 1.65 1.64 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.36 7.81 12 I 8.07 4.87 1.68 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.19 0.79 0.00 0.00 13 Y 8.87 4.57 0.00 3.08 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 14 I 8.03 4.47 1.75 0.00 0.00 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 1.20 0.88 1.15 0.00 0.00 15 A 8.93 4.27 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 16 G 8.16 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 1.72 1.49 0.00 3.45 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 18 A 7.17 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.33 3.47 1.89 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 -0.43 0.00 0.00 0.70 0.00 0.00 20 F 7.50 4.79 0.00 3.25 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 21 N 7.95 4.56 0.00 2.86 2.77 0.00 0.00 6.91 7.62 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 22 P 0.00 4.22 0.00 2.04 2.15 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 23 D 7.75 4.39 0.00 2.69 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 *25 G 7.81 3.45 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 0.00 0.00 0.00 0.00 26 A 8.05 4.04 1.45 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 0.00 0.00 0.00 27 S 8.53 4.05 0.00 4.03 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 28 Y 7.71 3.84 0.00 2.84 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 29 Y 8.19 4.19 0.00 2.94 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 30 N 8.64 4.33 0.00 2.70 2.82 0.00 0.00 7.00 7.19 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 31 K 7.67 3.83 0.00 1.66 1.61 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.45 7.81 32 V 7.22 2.87 1.79 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 0.73 0.00 0.00 -0.68 0.00 0.00 33 R 8.13 3.76 0.00 1.92 1.90 0.00 3.13 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 34 E 8.07 3.86 0.00 2.09 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 0.00 2.27 2.28 0.00 35 L 7.48 3.90 0.00 1.70 1.64 1.01 1.25 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 36 L 7.93 3.99 0.00 1.70 1.82 -0.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.11 3.86 0.00 1.99 1.98 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 38 K 7.61 4.12 0.00 2.11 1.92 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.66 7.81 39 E 7.91 4.61 0.00 2.22 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 2.45 2.46 0.00 40 N 7.89 4.23 0.00 2.87 2.91 0.00 0.00 6.88 7.36 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 41 V 7.78 4.98 2.22 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 0.80 0.00 0.00 1.32 0.00 0.00 *43 P 0.00 4.22 0.00 2.00 1.95 0.00 3.72 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 1.78 1.89 0.00 44 L 9.07 4.51 0.00 1.70 1.78 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.84 4.24 1.70 0.00 0.00 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 0.82 0.39 -0.25 0.00 0.00 46 P 0.00 4.74 0.00 1.94 2.23 0.00 3.28 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.76 0.00 47 T 7.19 4.54 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 1.27 0.00 0.00 48 D 7.92 4.27 0.00 2.74 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 49 N 8.78 4.11 0.00 2.77 2.83 0.00 0.00 7.01 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 50 E 7.93 3.86 0.00 2.20 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 2.37 2.30 0.00 51 A 8.39 4.31 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 52 T 8.23 4.31 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 53 E 7.89 4.38 0.00 2.20 1.90 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 2.36 2.36 0.00 54 A 8.64 4.00 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 55 L 7.87 3.92 0.00 1.69 1.73 0.92 1.08 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 56 D 7.99 4.33 0.00 2.85 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 57 I 7.85 3.68 2.01 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 1.40 0.70 0.91 0.00 0.00 58 R 8.17 3.82 0.00 1.79 2.05 0.00 2.93 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 59 Q 8.26 3.96 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 60 K 8.00 3.98 0.00 1.93 1.87 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.63 7.81 61 N 8.25 4.57 0.00 3.01 2.94 0.00 0.00 7.03 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 62 I 8.07 3.72 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.88 0.91 0.00 0.00 63 Q 8.10 4.25 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 *65 I 7.77 3.87 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.36 0.78 0.00 0.00 66 K 8.00 3.92 0.00 1.90 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.57 7.81 67 D 8.02 4.56 0.00 2.68 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 68 C 7.43 4.50 0.00 3.23 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 69 D 8.79 4.74 0.00 2.39 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 70 A 7.72 4.80 1.43 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 0.00 0.00 71 V 8.50 4.87 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 1.13 0.00 0.00 1.05 0.00 0.00 72 I 8.51 5.04 1.88 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 1.07 0.94 0.86 0.00 0.00 73 A 9.36 5.12 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 74 D 9.01 3.49 0.00 2.48 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 0.00 0.00 0.00 0.00 75 L 7.97 4.57 0.00 1.41 1.18 0.12 0.53 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 76 S 8.18 4.51 0.00 3.79 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 77 P 0.00 4.35 0.00 2.20 2.16 0.00 3.78 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 2.05 2.04 0.00 78 F 8.74 4.74 0.00 2.87 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 79 R 8.97 3.46 0.00 1.52 1.67 0.00 2.60 0.00 0.00 2.86 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 80 G 7.83 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.37 4.42 0.00 2.90 3.20 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.98 4.50 0.00 2.10 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 2.57 2.39 0.00 83 P 0.00 5.05 0.00 1.97 1.89 0.00 3.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.22 0.00 84 D 8.43 4.63 0.00 2.29 2.38 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 85 C 8.92 4.36 0.00 3.25 3.24 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 86 G 8.29 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.71 4.27 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 88 A 8.13 3.96 1.42 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 0.00 0.00 89 F 8.69 4.01 0.00 3.16 3.29 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 90 E 8.46 4.01 0.00 2.45 2.22 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 2.53 2.66 0.00 91 V 8.19 3.71 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 0.99 0.00 0.00 1.00 0.00 0.00 92 G 8.09 3.45 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 0.00 0.00 0.00 0.00 93 C 7.89 3.78 0.00 2.67 2.93 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 0.00 0.00 0.00 94 A 8.00 3.95 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 95 A 8.16 3.88 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 96 A 7.81 3.99 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 97 L 7.38 4.34 0.00 1.62 1.69 0.89 1.03 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 98 N 7.76 4.38 0.00 2.91 2.91 0.00 0.00 6.92 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 99 K 8.06 4.47 0.00 1.76 1.10 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.53 7.81 *101 V 8.76 4.09 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 0.82 0.00 0.00 0.99 0.00 0.00 102 L 9.34 5.12 0.00 1.63 1.63 1.22 0.53 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 0.00 103 T 8.91 5.44 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 1.26 0.00 0.00 104 F 8.95 6.19 0.00 3.36 3.33 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 0.00 105 T 8.62 5.08 4.47 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 1.38 0.00 0.00 106 S 8.86 4.43 0.00 4.15 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 0.00 107 D 8.22 4.54 0.00 2.65 2.63 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 0.00 0.00 0.00 0.00 108 R 8.47 4.35 0.00 1.83 1.92 0.00 3.56 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 109 R 7.68 4.18 0.00 1.82 1.93 0.00 3.11 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 110 N 8.43 5.19 0.00 2.72 2.23 0.00 0.00 6.88 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 *112 R 8.54 4.63 0.00 1.90 2.03 0.00 3.36 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 113 E 8.18 3.99 0.00 2.13 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 2.30 2.31 0.00 114 K 8.09 3.92 0.00 1.58 1.19 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.27 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.50 7.81 115 Y 8.01 4.00 0.00 3.01 3.01 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 0.00 0.00 0.00 116 G 8.88 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 0.00 0.00 0.00 117 S 7.37 4.48 0.00 4.02 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 0.00 118 G 8.43 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.40 4.77 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 0.76 0.00 0.00 0.92 0.00 0.00 120 D 8.51 4.81 0.00 2.93 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 0.00 121 K 8.69 4.06 0.00 1.91 2.05 0.00 1.57 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.49 7.81 122 D 8.23 4.69 0.00 2.77 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 0.00 123 N 8.13 4.26 0.00 2.85 2.90 0.00 0.00 7.06 7.46 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 0.00 124 L 8.12 4.50 0.00 1.87 1.51 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.59 4.34 0.00 1.68 1.85 0.00 3.17 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 126 V 8.46 4.15 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 0.74 0.00 0.00 0.44 0.00 0.00 127 E 9.04 4.12 0.00 2.20 2.22 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 2.57 2.41 0.00 128 G 8.30 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 0.00 0.00 0.00 0.00 129 F 7.88 4.61 0.00 2.96 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 G 8.28 3.88 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 0.00 0.00 0.00 131 L 7.50 4.56 0.00 1.57 1.23 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.76 0.00 1.79 2.14 0.00 2.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.41 0.00 133 F 7.06 4.81 0.00 3.10 3.15 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 0.00 134 N 9.35 4.53 0.00 2.80 2.91 0.00 0.00 7.36 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 0.00 135 L 8.95 4.25 0.00 1.75 1.72 0.77 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *137 L 7.62 4.26 0.00 1.77 1.51 0.65 0.76 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 0.00 138 Y 8.08 4.86 0.00 3.05 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 0.00 139 D 8.24 4.63 0.00 2.68 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 0.00 140 G 6.28 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 0.00 141 V 7.16 3.61 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 0.39 0.00 0.00 0.93 0.00 0.00 142 E 8.40 3.72 0.00 1.76 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 1.66 2.10 0.00 143 V 8.07 3.85 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 1.06 0.00 0.00 1.10 0.00 0.00 144 F 8.91 4.67 0.00 3.38 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 0.00 145 D 8.74 5.02 0.00 2.78 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 0.00 146 S 7.60 4.38 0.00 4.07 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 0.00 147 F 7.45 3.26 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.07 0.00 2.10 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 2.44 2.52 0.00 149 S 8.01 4.11 0.00 4.22 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 0.00 150 A 7.45 2.58 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 0.00 151 F 8.10 4.20 0.00 2.59 3.09 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 0.00 152 K 8.01 3.77 0.00 1.97 1.80 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.67 7.81 153 Y 7.56 3.93 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 0.00 154 F 8.22 4.13 0.00 3.26 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 0.00 155 L 7.65 3.78 0.00 1.56 1.53 0.37 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.58 4.06 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 0.00 157 N 7.41 4.64 0.00 2.38 2.59 0.00 0.00 6.68 7.46 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 0.00 158 F 7.77 4.24 0.00 2.36 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 0.00 159 P 0.00 4.53 0.00 2.15 1.95 0.00 3.49 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 160 S 8.42 4.40 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.