NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5597 8.2993 120.0946 56.0870 34.5606 175.3947 3 T 4.8238 7.9857 109.1470 58.8854 71.9484 172.2906 4 F 4.7258 10.4552 128.9047 56.8247 41.8964 175.2707 5 I 4.7668 7.9602 127.3324 59.7674 39.2717 174.6091 6 I 5.0940 9.2028 128.4092 59.4557 40.3492 174.7039 7 G 3.9970 9.3367 114.2160 44.4542 0.0000 172.5369 8 I 5.1654 8.8088 124.4872 59.8384 40.5299 174.1851 9 S 5.6448 9.6439 122.8996 55.3831 65.5285 172.1311 10 G 3.7983 8.5842 106.2270 42.3971 0.0000 173.1831 11 V 3.6107 7.5961 120.4587 61.2170 31.7475 175.5874 12 T 3.8666 8.3991 115.0662 63.9980 67.4224 173.0581 13 N 4.2939 8.7727 123.1451 54.4486 36.0958 175.4205 14 S 4.2928 7.6824 113.4951 58.7112 63.9217 174.7399 15 G 4.2063 8.4585 110.2480 45.6293 0.0000 175.5809 16 K 3.9196 8.4894 121.0676 59.6739 31.9885 179.1278 17 T 3.8920 7.8719 115.2316 66.9523 68.4331 176.5933 18 T 3.8254 7.8444 117.0254 66.6804 68.5698 176.3057 19 L 4.0054 8.0944 121.9225 57.8718 42.0283 178.8198 20 A 4.0210 8.1147 120.8133 55.0994 18.3409 179.7254 21 K 3.8855 8.1560 116.9527 59.6323 32.0139 179.1475 22 N 4.0361 7.9958 116.5885 56.3280 38.4644 177.2389 23 L 4.2680 7.9895 120.0649 58.0122 41.5652 179.1966 24 Q 3.9922 7.9829 117.9515 59.4074 29.0183 178.3413 25 K 3.9944 7.8630 117.7258 59.5268 32.1958 178.1096 26 H 4.7702 7.6459 112.3496 54.4984 29.2705 174.5584 27 L 4.8627 7.3266 122.0872 52.2432 43.2832 174.3089 28 P 4.4673 0.0000 0.0000 63.1077 32.9255 175.4416 29 N 4.1849 8.8580 119.6612 55.2547 36.7768 172.6350 30 C 5.5387 8.0417 116.8685 57.8811 34.4817 173.4725 31 S 5.0559 9.6958 121.4668 56.8277 66.7474 173.0074 32 V 4.8934 8.1637 119.6359 61.5276 34.7025 174.1938 33 I 4.7161 8.7316 127.3917 59.6772 40.7473 174.3491 34 S 5.4482 8.6156 122.2897 55.9805 64.9661 175.3607 35 Q 4.1437 9.2271 125.6616 58.9456 29.0438 177.4178 36 D 4.8747 8.1766 115.6581 56.0634 41.1115 176.4499 37 D 4.5705 7.9969 117.8615 55.3230 41.1648 176.6349 38 F 4.8505 8.0788 117.9475 57.0881 40.5294 175.0740 39 F 4.8360 8.4402 118.1809 57.2422 39.2288 175.7390 40 K 4.4169 9.0839 123.6126 55.5366 32.9174 175.2044 41 P 4.5059 0.0000 0.0000 62.5738 31.9497 176.9492 42 E 4.0359 8.8350 119.6156 59.3306 29.6017 178.6525 43 S 4.3399 8.0489 111.1434 59.8304 63.3717 174.2624 44 E 4.4120 7.9116 119.6363 56.8777 30.1800 176.2909 45 I 4.0733 7.1779 119.8488 60.8812 37.7497 175.2241 46 E 4.8913 8.6046 123.6678 54.7830 32.8792 174.7175 47 T 5.5239 8.5240 112.4059 59.1568 71.1299 174.1291 48 D 4.7270 8.7473 124.9624 52.1103 40.9392 176.8550 49 K 3.8456 8.7023 118.1321 59.9646 31.8659 177.5826 50 N 4.5087 8.2841 112.7937 52.6578 38.5993 174.8596 51 G 3.6880 8.2017 105.8217 47.0272 0.0000 174.6549 52 F 5.3365 8.2828 117.9582 55.0208 40.9911 175.8763 53 L 4.5753 8.8176 126.5378 55.1333 41.9293 178.5063 54 Q 4.3800 9.5583 125.2495 55.4845 26.7061 174.8621 55 Y 4.7177 8.4030 118.6196 58.7085 39.7483 176.1290 56 D 5.4017 8.4081 119.5575 54.2630 41.5374 176.4969 57 V 4.6222 7.6101 110.4855 59.3014 36.2208 176.8872 58 L 3.8503 8.6413 122.3129 58.1939 41.5515 179.1786 59 E 4.1072 8.2899 114.9810 58.0376 29.4681 176.7799 60 A 4.8005 8.3445 120.8039 51.5524 20.2677 176.2483 61 L 5.2024 7.8925 115.7854 53.6133 45.2969 176.1358 62 N 4.7867 9.5431 119.6577 52.5341 39.8622 176.1928 *64 E 4.2760 8.7192 118.7198 56.3468 32.3546 177.1659 65 K 4.2942 7.2906 120.1144 55.9701 30.3002 177.0137 *68 S 4.3118 7.9093 116.6032 58.1483 64.8698 175.5222 69 A 4.1191 7.7777 121.2709 55.1735 17.7484 179.6017 70 I 3.8815 7.5923 117.2472 64.3187 37.3717 178.1689 71 S 4.3629 7.8974 115.0800 61.3541 63.0948 175.9850 72 C 4.3795 8.3609 119.6996 62.4916 27.9030 176.1104 73 W 4.0911 7.9364 125.7149 58.7740 29.8094 176.9074 *75 E 4.1977 8.1460 117.4283 55.9122 30.8500 177.7351 76 S 3.9655 7.9572 112.6722 59.9975 63.7987 175.3477 77 A 3.7041 7.6221 124.6706 54.8410 18.0851 179.8265 78 R 4.2568 6.9352 111.5978 56.8861 29.2747 177.0934 79 H 4.6906 8.0791 115.2181 54.5576 29.8622 173.9347 *92 I 3.9497 7.7525 119.2129 60.0588 38.9194 173.3692 93 P 4.7304 0.0000 0.0000 63.4907 32.5156 175.3690 94 I 5.3608 9.5680 124.5911 59.4907 40.9345 174.1034 95 L 4.6644 8.9302 128.6065 53.0962 44.8670 174.8115 96 I 4.8717 8.5864 127.4278 59.8710 39.4756 174.7156 97 I 4.9228 9.4805 129.7809 59.7503 38.3980 174.1611 98 E 5.0057 8.6935 126.5492 54.8280 31.8125 175.4770 99 G 4.2514 8.4966 107.7440 45.6595 0.0000 174.2030 100 F 4.7869 9.4375 115.8428 57.1956 38.6919 176.2686 101 L 3.3895 7.3196 122.8550 53.1075 42.6233 173.8791 102 L 4.6073 7.7602 121.2863 55.9817 44.1004 178.4715 103 F 5.5959 8.0745 114.2802 58.0563 38.3286 175.6334 104 N 5.0615 8.5741 115.3440 52.4448 38.3939 173.5840 105 Y 4.5712 8.1352 121.3612 56.0318 38.5197 175.5309 106 K 4.1543 8.4850 129.4494 58.5470 31.9404 176.8961 107 P 4.1829 0.0000 0.0000 64.5842 31.4873 177.5909 108 L 3.9198 7.8320 117.3255 55.6763 41.7573 178.1783 109 D 3.7112 7.5822 119.5398 57.1517 40.5330 178.6758 110 T 4.4182 7.2478 106.1271 61.8967 69.0856 175.2998 111 I 4.1926 6.9064 123.2765 61.9067 39.6082 176.6338 112 W 4.4611 6.5699 120.0832 57.1410 29.2574 175.3905 113 N 4.6495 8.8181 119.6243 54.2200 40.2113 175.6195 114 R 4.4753 7.5737 117.8084 55.1843 33.8722 173.8278 115 S 5.0359 8.3615 121.6399 56.8150 66.3444 172.5011 116 Y 5.2039 9.3028 121.4753 56.1385 41.9819 174.5820 117 F 5.1356 9.0518 124.4708 56.3632 42.4419 173.6349 118 L 4.7239 8.4491 127.6983 54.8365 42.2379 176.7346 119 T 4.8627 9.2485 121.4632 61.8641 70.9767 173.4525 120 I 4.9854 8.3173 125.2232 58.4086 41.4129 173.1911 121 P 4.6030 0.0000 0.0000 62.4958 32.3145 176.5639 122 Y 3.1846 8.9185 121.6473 61.0918 38.5358 178.8722 123 E 3.5731 7.9959 118.6106 58.9859 29.6231 178.8427 124 E 3.8137 7.8874 119.0183 59.3061 29.8842 178.1613 125 C 4.0785 8.0835 118.9196 62.3987 31.4074 175.5143 126 K 2.4800 7.1308 120.1790 58.5857 31.9234 178.7078 127 R 3.7896 7.3226 118.6182 59.3015 30.0935 178.3458 128 R 3.8276 8.1767 118.1944 59.5576 30.2267 178.7102 129 R 4.0982 7.8381 118.3141 59.7482 29.7408 178.1135 130 S 4.3560 7.5886 111.5533 60.2045 63.3089 175.5111 131 T 4.1846 7.7365 112.5738 61.6124 69.1940 174.1842 132 R 4.2017 7.1679 122.3371 54.3607 31.3156 175.3018 133 V 3.9235 8.0454 125.4742 62.0058 31.5113 175.0639 134 Y 4.1966 8.3403 125.5768 56.9716 39.4371 174.9366 135 Q 4.3126 8.0784 121.5510 54.1096 30.6882 172.3480 136 P 4.3820 0.0000 0.0000 61.6826 32.0928 174.6502 137 P 4.3916 0.0000 0.0000 62.4145 31.8418 176.0657 138 D 4.0911 8.7254 121.7446 54.7217 41.2748 177.1107 139 S 4.4330 8.1570 118.5493 56.8491 64.0822 171.6178 140 P 4.5033 0.0000 0.0000 63.9377 31.4647 176.9311 141 G 4.1151 9.1774 110.3133 46.9540 0.0000 174.7171 142 Y 3.7875 8.1967 123.2439 60.0616 38.6465 177.6869 143 F 3.9565 8.2398 121.2767 61.4612 39.4360 176.7125 144 D 4.6964 8.2540 116.7110 56.7472 40.8895 178.2677 145 G 3.7048 7.8166 105.3530 46.1537 0.0000 173.3186 146 H 4.3732 7.5255 117.6001 57.5701 31.4191 174.4835 147 V 3.5946 6.9975 116.8415 65.8675 31.7732 176.8370 148 W 4.1396 8.3409 129.3849 59.9951 30.8442 177.5298 149 P 4.2628 0.0000 0.0000 63.1070 30.4505 177.4261 *151 Y 4.6816 8.0466 121.1840 57.6877 40.5138 177.0275 152 L 3.3330 7.4196 119.4888 57.4586 41.6737 179.4632 153 K 3.8927 7.8921 119.5443 59.3945 31.8195 178.3179 154 Y 4.4923 7.4544 120.2133 60.0140 38.9303 177.0981 155 R 3.5050 7.3635 118.2968 59.0270 30.1163 178.5810 156 Q 3.9428 7.5514 118.3390 58.7733 29.7753 178.9026 157 E 4.1715 7.8349 120.9527 56.1017 27.3285 178.3835 *159 Q 4.2045 7.8534 116.7098 55.6129 31.1703 176.6977 160 D 4.4611 7.9341 116.4450 55.7801 41.5460 176.8536 161 I 3.1212 7.1685 118.3625 61.6952 37.4068 175.1778 162 T 4.1984 8.2646 114.2544 62.6453 69.9651 175.1068 163 W 4.4858 7.8599 117.9776 55.1729 29.4913 174.4828 164 E 4.1375 8.6791 119.5161 55.0464 29.5407 174.9115 165 V 4.0429 7.8315 126.1458 60.8334 33.7588 174.8414 166 V 3.9555 8.2797 129.1751 62.2094 32.2565 174.4591 167 Y 4.9540 8.6188 126.4790 57.7332 38.8174 175.1478 168 L 4.9182 9.1754 123.4228 52.9036 45.9373 175.6057 169 D 4.9690 8.7812 122.3174 53.2186 41.3232 177.0726 170 G 3.8625 9.2417 116.3969 47.2997 0.0000 173.0923 171 T 4.1702 7.8633 109.2406 62.7992 69.4693 175.1674 172 K 4.2074 7.6671 121.6338 55.7333 32.9391 176.7980 173 S 4.2872 8.3328 113.3278 58.5649 64.0864 174.2982 174 E 3.9886 8.6501 127.0872 59.2492 29.5536 178.8488 175 E 4.2368 8.1317 117.0746 59.1149 30.0186 178.5541 176 D 4.3946 7.9618 119.7506 57.2147 40.8948 178.6216 177 L 4.0445 8.0791 119.6917 57.6188 41.6150 179.2722 178 F 4.2009 8.1329 120.3835 61.3475 39.3566 177.2683 179 L 3.8290 8.1638 118.6933 57.3612 41.0816 179.1750 180 Q 3.9232 8.0361 119.7542 59.1424 29.0064 178.6579 181 V 3.4111 7.4531 118.6864 66.0375 31.6206 177.1098 182 Y 4.2138 8.0267 119.6783 60.8808 38.3204 178.1613 183 E 3.8027 8.1110 119.1232 59.4188 29.3673 178.4710 184 D 4.3821 7.7057 117.6689 57.8114 41.1234 178.7128 185 L 3.9941 8.4933 119.1752 57.3449 41.4499 179.1618 186 I 3.8973 7.0625 118.1329 63.1336 37.1397 176.9824 187 Q 4.4753 7.8616 117.2770 56.1505 28.6989 176.4848 188 E 4.5830 7.6905 120.4045 57.1647 32.7553 177.6377 189 L 3.8664 7.5157 116.9871 55.8170 42.2444 178.8611 190 A 3.9741 8.2445 122.2731 55.0545 18.3345 178.3334 191 K 4.4436 7.5027 113.0365 56.8185 32.0356 177.2028 192 Q 4.2805 7.6437 123.9761 56.1124 28.9849 175.5257 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.30 4.56 0.00 1.66 1.94 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 T 7.99 4.82 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 4 F 10.46 4.73 0.00 3.13 3.08 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 0.00 0.00 0.00 5 I 7.96 4.77 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 0.80 0.00 0.00 6 I 9.20 5.09 2.07 0.00 0.00 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 1.56 1.33 1.24 0.00 0.00 7 G 9.34 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.81 5.17 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.17 0.95 0.00 0.00 9 S 9.64 5.64 0.00 2.98 3.49 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 10 G 8.58 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 11 V 7.60 3.61 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 0.74 0.00 0.00 0.67 0.00 0.00 12 T 8.40 3.87 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 1.36 0.00 0.00 13 N 8.77 4.29 0.00 2.92 2.88 0.00 0.00 6.99 7.57 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 14 S 7.68 4.29 0.00 3.89 4.01 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 15 G 8.46 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 16 K 8.49 3.92 0.00 1.83 1.89 0.00 1.86 0.00 0.00 1.96 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.52 7.81 17 T 7.87 3.89 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 18 T 7.84 3.83 4.38 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 1.25 0.00 0.00 19 L 8.09 4.01 0.00 1.78 1.67 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.11 4.02 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 21 K 8.16 3.89 0.00 1.88 1.83 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.61 7.81 22 N 8.00 4.04 0.00 2.82 2.03 0.00 0.00 7.08 6.90 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 23 L 7.99 4.27 0.00 1.97 1.87 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.98 3.99 0.00 2.08 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 25 K 7.86 3.99 0.00 1.65 1.61 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.66 7.81 26 H 7.65 4.77 0.00 2.93 3.30 0.00 5.82 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.33 4.86 0.00 1.85 1.71 1.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.47 0.00 2.23 2.11 0.00 4.00 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 29 N 8.86 4.18 0.00 3.05 2.97 0.00 0.00 6.63 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 30 C 8.04 5.54 0.00 3.17 2.91 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 31 S 9.70 5.06 0.00 3.78 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 32 V 8.16 4.89 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 0.83 0.00 0.00 1.00 0.00 0.00 33 I 8.73 4.72 1.87 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 1.23 0.49 1.04 0.00 0.00 34 S 8.62 5.45 0.00 4.03 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 35 Q 9.23 4.14 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 36 D 8.18 4.87 0.00 2.88 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.00 4.57 0.00 2.47 2.30 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 38 F 8.08 4.85 0.00 3.09 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 39 F 8.44 4.84 0.00 3.04 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 9.08 4.42 0.00 1.72 1.93 0.00 1.88 0.00 0.00 1.97 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.51 7.81 41 P 0.00 4.51 0.00 2.25 2.24 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 42 E 8.83 4.04 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 43 S 8.05 4.34 0.00 4.03 3.99 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 44 E 7.91 4.41 0.00 2.20 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 2.29 2.28 0.00 45 I 7.18 4.07 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 -0.06 0.35 0.00 0.00 46 E 8.60 4.89 0.00 1.89 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 2.28 2.25 0.00 47 T 8.52 5.52 4.29 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 1.23 0.00 0.00 48 D 8.75 4.73 0.00 3.00 3.07 0.00 0.00 0.00 0.00 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7.91 4.31 0.00 3.96 4.12 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 69 A 7.78 4.12 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 70 I 7.59 3.88 1.80 0.00 0.00 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 1.53 0.44 0.82 0.00 0.00 71 S 7.90 4.36 0.00 4.01 3.93 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 72 C 8.36 4.38 0.00 3.24 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 73 W 7.94 4.09 0.00 3.48 3.37 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 E 8.15 4.20 0.00 2.24 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 2.26 2.75 0.00 76 S 7.96 3.97 0.00 3.97 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 77 A 7.62 3.70 0.47 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.16 4.43 0.00 4.12 4.01 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 0.00 140 P 0.00 4.50 0.00 2.15 2.11 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 141 G 9.18 4.12 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 0.00 0.00 0.00 142 Y 8.20 3.79 0.00 3.26 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 0.00 143 F 8.24 3.96 0.00 3.19 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 0.00 144 D 8.25 4.70 0.00 2.80 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 0.00 145 G 7.82 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 0.00 0.00 0.00 146 H 7.53 4.37 0.00 2.15 2.15 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.00 3.59 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 0.88 0.00 0.00 0.64 0.00 0.00 148 W 8.34 4.14 0.00 2.78 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 0.00 149 P 0.00 4.26 0.00 2.14 2.02 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 *151 Y 8.05 4.68 0.00 2.94 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 0.00 152 L 7.42 3.33 0.00 1.66 1.48 0.92 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.89 3.89 0.00 1.88 1.76 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.42 7.81 154 Y 7.45 4.49 0.00 2.83 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 7.36 3.51 0.00 1.55 1.63 0.00 3.04 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 156 Q 7.55 3.94 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.62 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 157 E 7.83 4.17 0.00 2.26 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 2.34 2.46 0.00 *159 Q 7.85 4.20 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.05 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 160 D 7.93 4.46 0.00 2.61 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 0.00 161 I 7.17 3.12 1.35 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.03 -0.47 0.00 0.00 162 T 8.26 4.20 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 1.32 0.00 0.00 163 W 7.86 4.49 0.00 3.36 3.25 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 0.00 164 E 8.68 4.14 0.00 1.93 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 2.15 2.23 0.00 165 V 7.83 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 0.08 0.00 0.00 -0.04 0.00 0.00 166 V 8.28 3.96 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 1.09 0.00 0.00 0.82 0.00 0.00 167 Y 8.62 4.95 0.00 2.99 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 0.00 168 L 9.18 4.92 0.00 1.65 1.60 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.78 4.97 0.00 2.80 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 0.00 170 G 9.24 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.86 4.17 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 1.28 0.00 0.00 172 K 7.67 4.21 0.00 2.02 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.42 7.81 173 S 8.33 4.29 0.00 3.90 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 0.00 174 E 8.65 3.99 0.00 2.07 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 0.00 2.35 2.36 0.00 175 E 8.13 4.24 0.00 2.33 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 2.38 2.44 0.00 176 D 7.96 4.39 0.00 2.95 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 0.00 177 L 8.08 4.04 0.00 1.91 1.74 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 178 F 8.13 4.20 0.00 3.06 3.21 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 0.00 179 L 8.16 3.83 0.00 1.73 1.67 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.04 3.92 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 181 V 7.45 3.41 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 0.40 0.00 0.00 0.60 0.00 0.00 182 Y 8.03 4.21 0.00 2.13 2.64 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 0.00 183 E 8.11 3.80 0.00 2.02 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 0.00 2.26 2.51 0.00 184 D 7.71 4.38 0.00 2.95 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 0.00 185 L 8.49 3.99 0.00 1.91 1.66 1.27 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.06 3.90 1.75 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 0.76 0.00 0.00 187 Q 7.86 4.48 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 188 E 7.69 4.58 0.00 2.05 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 2.37 2.55 0.00 189 L 7.52 3.87 0.00 1.53 1.55 0.77 0.75 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 0.00 190 A 8.24 3.97 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 0.00 191 K 7.50 4.44 0.00 2.02 1.86 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.41 7.81 192 Q 7.64 4.28 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.