NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4993 8.3349 115.4127 58.3448 64.9880 172.9947 3 N 4.9282 8.0176 120.5505 53.1759 41.1860 172.1316 4 T 4.8216 9.1740 117.0990 63.1194 73.3837 173.1435 5 L 4.8787 8.1644 119.5540 53.6234 43.8520 176.2289 6 F 4.7751 7.7089 118.7251 57.9822 42.4358 171.9630 7 D 4.7433 7.0786 123.3683 52.5345 44.5325 173.5818 8 D 4.2974 7.5085 123.4152 54.5004 46.0598 174.5647 9 I 5.3270 7.9210 120.1397 59.6519 41.4104 174.9571 10 F 5.4377 9.4705 122.7485 56.0297 44.1806 173.2789 11 Q 5.5392 9.0657 120.5317 53.1070 32.0767 174.2750 12 V 4.2029 8.5745 126.5111 63.3400 31.8352 176.4111 13 S 4.3508 9.1205 124.9570 61.0270 63.3961 174.2878 14 E 4.8533 7.5642 117.8293 55.4760 32.5676 174.8779 15 V 4.5702 8.5993 124.8622 61.1074 34.3337 174.1731 16 D 4.8339 8.9445 126.7773 52.1149 43.9982 172.5453 17 P 4.6088 0.0000 0.0000 60.7921 31.1629 175.6564 18 G 3.7108 8.0001 121.2075 44.7463 0.0000 171.3285 19 R 3.9292 7.7612 113.7793 58.2489 27.7321 177.4447 20 Y 5.1311 7.5078 113.8461 55.2929 38.3205 175.8123 21 N 4.2476 8.3651 120.0957 55.6238 38.8937 175.9603 22 K 4.5428 8.0263 114.2347 55.9231 33.5771 175.3144 23 V 4.8728 7.9513 118.8021 61.7166 34.8849 173.4050 24 C 5.2122 9.0682 124.6781 57.9039 31.9473 173.2835 25 R 4.5990 8.6497 123.1733 56.1246 31.2560 175.1346 26 I 5.1437 8.7591 125.6936 59.5627 41.3759 174.2231 27 E 5.7997 8.9231 122.8048 53.7596 32.9215 174.8941 28 A 5.3164 8.5924 124.2163 50.5613 23.6632 173.9506 29 A 5.1570 8.8961 120.1825 50.3461 22.5118 175.6182 30 S 4.4664 8.1303 112.6201 56.7474 63.6899 174.9555 31 T 4.5367 7.1096 123.1986 61.8795 69.1590 173.6674 32 T 4.1491 7.3830 124.1936 63.8845 76.4400 177.1732 33 Q 4.1626 9.0768 129.6672 56.7874 29.6528 176.4838 34 D 4.9074 8.7462 121.7469 55.0866 40.6877 176.9588 35 Q 4.2747 8.0942 119.3041 57.7932 29.8550 175.7644 36 C 5.0786 7.9103 121.6990 59.7846 31.8105 172.3146 37 K 4.8458 8.5010 124.9608 54.6593 34.6838 175.5805 38 L 4.8851 8.9087 122.9645 53.8591 46.1156 175.4453 39 T 4.9484 8.5748 120.9837 61.9247 72.3091 172.7823 40 L 5.1104 9.4801 129.8551 53.3615 45.6912 175.1192 41 D 4.9389 9.0389 126.9501 54.7578 41.7984 175.9610 42 I 4.7390 8.6829 121.7217 59.9034 42.6215 174.2571 43 N 5.0864 9.6561 125.5243 52.7889 38.6554 175.3616 44 V 4.1567 7.8509 129.9232 63.3460 31.8972 176.6701 45 E 4.4381 8.4851 118.6021 57.0822 31.6313 176.0340 46 L 4.4275 8.9125 116.0599 55.1716 42.3390 177.4306 47 F 4.8359 7.2740 117.8856 56.3631 40.9560 171.4248 48 P 4.2927 0.0000 0.0000 62.3583 32.1384 176.4965 49 V 4.0572 7.8935 119.1194 61.9909 34.2177 173.0608 50 A 4.6991 7.8472 129.6191 49.5339 21.4202 175.6700 51 A 3.8323 8.4689 121.6746 53.9872 18.6184 176.7605 52 Q 3.4267 8.8330 122.3858 56.4889 26.1897 172.5760 53 D 4.8382 8.0233 120.7012 53.0930 46.4106 174.5167 54 S 5.2495 8.7030 115.2326 57.0256 62.8533 172.8422 55 L 4.8531 8.6272 127.6805 54.0922 44.4951 175.3567 56 T 5.1007 8.2472 118.8439 62.1585 70.7255 173.6712 57 V 4.8771 8.6240 126.7430 61.3928 33.8105 174.7424 58 T 5.3521 8.0231 121.1748 62.1990 73.7586 175.2948 59 I 5.0645 8.3627 123.4131 58.8847 37.7427 178.9507 60 A 4.1005 9.3319 130.6416 53.2440 18.0880 178.3185 61 S 4.8875 7.9124 113.6829 54.7807 62.3584 172.4404 62 S 4.0571 7.5880 115.9822 60.3055 66.0165 179.1046 63 L 3.2527 7.6898 118.5531 56.9099 37.5150 176.5774 *76 T 4.1404 7.2945 108.8684 63.4833 70.3249 171.5834 77 R 3.9647 8.2241 126.7937 54.9409 30.6100 176.7713 78 S 4.1792 8.7884 115.6065 58.6433 63.1469 173.8540 79 W 4.4591 8.8765 133.1238 56.8809 31.0008 175.6948 80 R 3.9918 8.0633 125.3729 54.6534 31.3224 175.5370 81 P 4.1274 0.0000 0.0000 61.2013 32.1805 175.0717 82 P 4.4768 0.0000 0.0000 63.3967 29.9765 177.1835 83 Q 3.7389 9.7146 121.2967 57.3163 27.6407 175.5634 84 A 4.1337 7.6750 115.2842 53.0145 17.7560 178.9548 85 G 3.7953 8.2455 107.9608 48.7152 0.0000 174.5036 86 D 4.7368 7.7793 116.8260 54.0122 42.6615 174.6385 87 R 4.8260 7.8056 118.7561 53.7392 32.6229 175.8394 88 S 4.2855 8.3577 112.7445 60.2803 63.3545 174.8509 89 L 4.5400 7.7692 117.0413 54.7512 43.7601 175.6667 90 A 4.5709 8.0894 126.1492 52.4638 18.5051 177.8153 91 D 5.0108 8.7552 117.9700 55.2267 39.6846 178.1066 92 D 4.6517 8.4642 114.9286 55.7970 40.1572 175.3830 93 Y 4.9848 8.6984 119.2953 56.5794 40.7553 174.5700 94 D 5.0633 9.3788 118.5078 54.7673 43.1982 175.9518 95 Y 4.5719 7.6329 120.7020 56.2608 42.0607 173.6887 96 V 5.0798 8.5854 126.1674 60.8784 34.0286 174.1982 97 M 4.5304 8.0178 127.7890 54.2014 35.1502 174.4903 98 Y 5.1669 8.2532 120.1222 57.0319 41.3336 173.7088 99 G 3.6538 8.7978 116.3601 45.9888 0.0000 171.5575 100 T 5.0507 9.3618 118.7347 60.5922 73.5943 172.7492 101 A 4.4786 8.3711 124.3161 49.8194 20.2479 175.8862 102 Y 4.4256 8.3760 120.7131 58.1990 39.5784 175.6544 103 K 4.7584 7.1134 121.3137 53.9396 36.1507 174.4657 104 F 4.9454 8.9761 123.6923 55.6809 39.8146 174.5182 105 E 4.3573 8.9170 124.4961 55.5782 31.5636 174.7419 106 E 4.8431 8.4737 123.4864 53.2681 29.5443 177.2047 107 V 3.8041 7.7547 128.9491 62.8526 30.3989 175.1760 108 S 3.6192 8.3220 119.3848 58.0604 64.7955 173.2476 109 K 3.6131 8.2530 118.3675 58.1191 30.1925 176.5576 110 D 4.9382 8.5692 117.9742 54.4116 40.2103 176.4670 111 L 4.9200 7.8009 119.5506 54.1881 44.5011 176.2525 112 I 4.6441 8.2035 123.3519 59.3670 40.3366 174.5585 113 A 5.1112 8.4310 127.7000 49.3072 22.4774 175.2401 114 V 4.4392 7.6991 112.0826 59.6617 35.6863 174.4510 115 Y 4.8445 8.2774 121.6053 56.8932 40.2911 174.3309 116 Y 4.7466 9.0126 118.7822 56.6391 43.0320 174.4693 117 S 4.7834 8.9680 115.6126 57.1288 65.9889 173.5214 118 F 4.6460 8.8549 126.7119 56.0470 38.1736 175.5891 119 G 3.8346 8.7692 113.0809 46.2938 0.0000 170.6524 120 G 3.7907 7.1979 106.3547 45.0728 0.0000 173.5914 121 L 4.7379 7.8951 120.4219 53.1134 43.0592 176.8117 122 L 5.0664 9.9756 125.9555 54.9746 43.6579 175.7846 123 M 5.2756 8.9979 118.8383 54.6287 36.3916 173.3379 124 R 4.6070 9.5188 125.3176 54.3490 33.6034 173.6148 125 L 4.9129 8.0999 126.9861 53.3476 46.0121 174.5386 126 E 4.6614 7.9766 122.9569 53.1849 33.0996 173.5617 127 G 4.1873 7.7620 117.3238 45.7693 0.0000 174.4658 128 N 4.6555 8.0879 131.7731 53.5236 40.3527 173.5985 129 Y 4.6414 6.4765 114.9794 57.9985 38.9706 176.0697 130 R 4.6329 7.5183 119.7735 56.7100 30.4040 177.7828 131 N 4.3070 7.7162 119.0327 56.1223 38.5426 175.9056 132 L 4.7491 7.9009 113.1401 54.5543 42.9457 176.8279 133 N 4.6042 8.0834 116.7078 55.4878 39.1821 175.3697 134 N 4.5910 8.0248 117.7221 53.1349 39.0265 176.2112 135 L 4.4666 8.3769 126.6159 54.7013 42.5100 177.8126 136 K 4.7302 8.4635 121.1698 57.0851 34.3880 176.0791 137 Q 4.4336 7.9024 118.3121 54.4304 29.8761 175.5262 138 E 3.9953 8.8531 119.4222 59.6705 29.8108 176.1793 139 N 4.5262 7.6748 112.9536 52.3438 38.8659 174.9217 140 A 5.5614 8.3275 130.0926 52.6895 20.4475 174.2178 141 Y 4.5464 8.6419 119.1497 57.4964 39.7191 174.6235 142 L 5.0589 8.9557 125.1217 53.4873 45.0696 175.0104 143 L 5.1059 7.9895 122.2649 53.4423 46.5631 175.3889 144 I 5.6487 8.6122 120.5811 60.3404 42.0715 174.2402 145 R 4.9504 8.4142 121.1546 55.6070 33.2960 175.3970 146 R 4.3081 8.6708 119.3561 56.9092 30.5308 176.2005 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 S 8.33 4.50 0.00 3.99 4.02 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 0.00 0.00 0.00 3 N 8.02 4.93 0.00 2.78 2.75 0.00 0.00 6.93 6.65 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 4 T 9.17 4.82 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 1.26 0.00 0.00 5 L 8.16 4.88 0.00 1.75 1.74 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.71 4.78 0.00 3.14 2.92 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 7 D 7.08 4.74 0.00 2.55 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.51 4.30 0.00 2.59 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.92 5.33 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.33 1.02 0.00 0.00 10 F 9.47 5.44 0.00 2.94 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 11 Q 9.07 5.54 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 12 V 8.57 4.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 13 S 9.12 4.35 0.00 3.93 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 14 E 7.56 4.85 0.00 2.03 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 2.16 2.17 0.00 15 V 8.60 4.57 2.10 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 0.86 0.00 0.00 1.03 0.00 0.00 16 D 8.94 4.83 0.00 2.83 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 17 P 0.00 4.61 0.00 2.13 2.10 0.00 3.82 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 1.90 1.96 0.00 18 G 8.00 3.71 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 0.00 0.00 0.00 19 R 7.76 3.93 0.00 1.81 2.05 0.00 3.30 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 20 Y 7.51 5.13 0.00 2.99 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 21 N 8.37 4.25 0.00 2.74 2.96 0.00 0.00 7.06 7.61 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 22 K 8.03 4.54 0.00 1.74 1.76 0.00 1.63 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.38 7.81 23 V 7.95 4.87 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 0.78 0.00 0.00 0.99 0.00 0.00 24 C 9.07 5.21 0.00 2.95 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 R 8.65 4.60 0.00 2.17 1.84 0.00 3.08 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 26 I 8.76 5.14 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.92 0.00 0.00 27 E 8.92 5.80 0.00 1.93 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 2.21 2.08 0.00 28 A 8.59 5.32 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 29 A 8.90 5.16 1.28 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 0.00 0.00 0.00 30 S 8.13 4.47 0.00 3.77 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 31 T 7.11 4.54 4.15 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 1.17 0.00 0.00 32 T 7.38 4.15 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 1.15 0.00 0.00 33 Q 9.08 4.16 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.20 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 34 D 8.75 4.91 0.00 2.68 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 0.00 35 Q 8.09 4.27 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 36 C 7.91 5.08 0.00 3.13 2.95 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 0.00 0.00 0.00 37 K 8.50 4.85 0.00 1.66 1.72 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.69 7.81 38 L 8.91 4.89 0.00 1.44 1.25 0.71 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.57 4.95 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 1.28 0.00 0.00 40 L 9.48 5.11 0.00 1.51 1.34 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.04 4.94 0.00 2.68 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 42 I 8.68 4.74 2.01 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 1.02 0.80 1.36 0.00 0.00 43 N 9.66 5.09 0.00 2.82 2.68 0.00 0.00 6.77 8.57 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 44 V 7.85 4.16 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 0.78 0.00 0.00 1.09 0.00 0.00 45 E 8.49 4.44 0.00 1.90 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 2.15 2.27 0.00 46 L 8.91 4.43 0.00 1.45 1.61 0.83 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.27 4.84 0.00 2.68 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 48 P 0.00 4.29 0.00 1.93 1.88 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 49 V 7.89 4.06 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 0.73 0.00 0.00 0.71 0.00 0.00 50 A 7.85 4.70 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 51 A 8.47 3.83 1.27 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 52 Q 8.83 3.43 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 53 D 8.02 4.84 0.00 2.58 2.56 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 0.00 0.00 0.00 0.00 54 S 8.70 5.25 0.00 3.89 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 55 L 8.63 4.85 0.00 1.72 1.76 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.25 5.10 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 1.35 0.00 0.00 57 V 8.62 4.88 2.50 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 1.24 0.00 0.00 0.68 0.00 0.00 58 T 8.02 5.35 4.10 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 1.34 0.00 0.00 59 I 8.36 5.06 1.97 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.78 0.96 0.00 0.00 60 A 9.33 4.10 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 61 S 7.91 4.89 0.00 4.04 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 62 S 7.59 4.06 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.69 3.25 0.00 1.67 1.87 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.29 4.14 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 77 R 8.22 3.96 0.00 2.03 2.00 0.00 3.28 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 78 S 8.79 4.18 0.00 4.07 3.98 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 W 8.88 4.46 0.00 3.34 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.06 3.99 0.00 1.60 1.60 0.00 3.21 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 81 P 0.00 4.13 0.00 1.84 1.36 0.00 3.40 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 82 P 0.00 4.48 0.00 2.15 1.45 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 83 Q 9.71 3.74 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.15 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 84 A 7.67 4.13 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 85 G 8.25 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 86 D 7.78 4.74 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.81 4.83 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 88 S 8.36 4.29 0.00 3.95 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 89 L 7.77 4.54 0.00 1.70 1.86 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.09 4.57 1.18 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 91 D 8.76 5.01 0.00 2.88 2.95 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 0.00 0.00 0.00 92 D 8.46 4.65 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.70 4.98 0.00 2.79 3.16 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 94 D 9.38 5.06 0.00 2.68 2.86 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 95 Y 7.63 4.57 0.00 1.89 2.10 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 96 V 8.59 5.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.92 0.00 0.00 97 M 8.02 4.53 0.00 1.54 1.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.60 0.00 98 Y 8.25 5.17 0.00 2.21 2.56 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 0.00 0.00 0.00 0.00 99 G 8.80 3.65 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 0.00 0.00 0.00 0.00 100 T 9.36 5.05 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 101 A 8.37 4.48 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 0.00 102 Y 8.38 4.43 0.00 3.05 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 0.00 103 K 7.11 4.76 0.00 1.78 1.46 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.47 7.81 104 F 8.98 4.95 0.00 2.85 3.02 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 0.00 0.00 0.00 105 E 8.92 4.36 0.00 2.27 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 2.35 2.35 0.00 106 E 8.47 4.84 0.00 1.88 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 2.22 2.30 0.00 107 V 7.75 3.80 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 0.78 0.00 0.00 0.92 0.00 0.00 108 S 8.32 3.62 0.00 4.19 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 0.00 109 K 8.25 3.61 0.00 1.91 1.70 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.41 7.81 110 D 8.57 4.94 0.00 2.78 2.75 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 0.00 111 L 7.80 4.92 0.00 1.99 1.58 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.20 4.64 1.86 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 1.19 1.01 0.92 0.00 0.00 113 A 8.43 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.70 4.44 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 -0.25 0.00 0.00 0.73 0.00 0.00 115 Y 8.28 4.84 0.00 1.87 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 9.01 4.75 0.00 2.72 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 0.00 117 S 8.97 4.78 0.00 3.75 3.47 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 0.00 118 F 8.85 4.65 0.00 3.09 3.07 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 0.00 0.00 0.00 119 G 8.77 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 0.00 120 G 7.20 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 0.00 0.00 0.00 121 L 7.90 4.74 0.00 1.86 1.75 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.98 5.07 0.00 1.76 1.78 1.01 0.70 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 0.00 123 M 9.00 5.28 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 124 R 9.52 4.61 0.00 1.57 1.50 0.00 2.93 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 125 L 8.10 4.91 0.00 1.47 1.13 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.98 4.66 0.00 1.94 1.65 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 2.20 2.19 0.00 127 G 7.76 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.09 4.66 0.00 2.76 2.81 0.00 0.00 6.79 7.54 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 0.00 129 Y 6.48 4.64 0.00 3.26 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 0.00 130 R 7.52 4.63 0.00 1.94 2.11 0.00 2.97 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 131 N 7.72 4.31 0.00 2.74 2.97 0.00 0.00 6.64 7.74 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 0.00 132 L 7.90 4.75 0.00 1.65 1.69 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.08 4.60 0.00 2.89 3.14 0.00 0.00 6.94 7.49 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 0.00 134 N 8.02 4.59 0.00 2.79 2.96 0.00 0.00 6.92 7.85 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 0.00 135 L 8.38 4.47 0.00 1.75 1.71 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.46 4.73 0.00 1.53 1.44 0.00 1.48 0.00 0.00 1.18 0.00 0.00 2.33 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 1.20 7.81 137 Q 7.90 4.43 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 138 E 8.85 4.00 0.00 2.00 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 2.50 2.27 0.00 139 N 7.67 4.53 0.00 2.90 2.94 0.00 0.00 6.73 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 0.00 140 A 8.33 5.56 1.77 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 0.00 0.00 141 Y 8.64 4.55 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 0.00 142 L 8.96 5.06 0.00 1.42 0.97 0.79 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.99 5.11 0.00 0.81 0.21 0.83 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.61 5.65 1.51 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 0.73 0.87 0.91 0.00 0.00 145 R 8.41 4.95 0.00 1.80 1.96 0.00 2.79 0.00 0.00 2.63 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 146 R 8.67 4.31 0.00 2.04 2.09 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.