NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5545 8.1933 116.7455 58.6182 63.2407 171.4669 1 R 5.2009 7.7345 119.1203 52.5733 35.0657 170.6996 2 V 4.7570 8.7243 119.7641 59.9128 35.4960 175.0753 3 S 4.6864 8.7542 117.7974 58.1571 64.0610 175.5513 4 V 3.8123 8.5604 121.6127 65.2039 31.2178 178.6556 5 T 3.8771 7.8695 110.1195 64.6422 68.7791 176.3554 6 D 4.3283 8.2917 121.8065 57.1827 40.7634 178.0559 7 Y 3.7520 8.2707 120.2528 60.4431 38.7332 177.9515 8 K 3.8763 8.3234 120.7001 59.5074 32.3232 178.9941 9 R 3.7888 7.8933 118.3397 59.0139 29.7603 178.6336 10 L 3.7642 7.4984 118.9799 58.0041 42.2776 178.4085 11 L 3.8558 7.4936 120.4412 58.2921 41.8019 178.5930 12 D 4.4932 7.9778 117.0422 56.3757 40.8316 178.3819 13 S 4.2682 7.6264 114.1006 59.1434 63.1336 175.4732 14 G 3.8614 7.9409 108.9900 45.4127 0.0000 173.6397 15 A 4.1940 7.7021 122.4737 51.4330 18.9535 177.8177 16 F 4.3522 8.7155 123.7945 58.7491 39.9946 173.9011 17 H 4.3493 7.2845 121.3020 54.8540 31.5419 172.3168 18 L 4.5921 8.4632 118.1491 52.7220 44.8461 175.6184 19 L 4.9349 8.4632 125.6779 53.8310 43.9493 174.7060 20 L 5.0398 9.1396 127.1819 53.1669 43.9371 175.0179 21 D 4.8928 9.0400 125.4638 53.1906 42.3587 176.6038 22 V 5.3139 8.2351 118.7608 60.5989 32.9456 176.5582 23 R 4.4172 8.0624 119.8299 54.9619 30.8508 175.3689 24 P 4.5075 0.0000 0.0000 62.5688 33.3092 176.9689 25 Q 3.9780 8.7304 119.6192 59.6195 28.5820 179.2114 26 V 3.5779 7.7058 118.4231 64.9255 31.6683 177.8112 27 E 3.8742 8.0220 118.6562 59.0389 28.5289 179.1944 28 V 3.5125 7.5456 117.7356 65.9770 31.2572 177.8066 29 D 4.5146 8.0513 118.0786 56.7759 40.6003 178.6371 30 I 3.7704 7.1106 120.1516 62.8243 37.5528 175.7879 31 C 4.5304 6.4165 111.3129 57.5061 32.2374 172.9486 32 R 4.6883 7.8806 115.8359 55.2746 31.6747 174.3231 33 L 4.3631 8.2766 119.3655 53.4283 41.9312 176.5097 34 P 4.3384 0.0000 0.0000 65.5009 31.4515 177.3621 35 H 4.4060 8.1985 111.7347 57.0530 29.0763 175.4462 36 A 4.2231 7.4377 122.3692 51.7097 19.1879 176.5994 37 L 4.3451 8.8841 123.1612 54.3361 43.8237 175.0227 38 H 5.1128 8.7857 126.5782 55.4143 30.8760 174.6352 39 I 4.3581 8.6541 126.9394 58.6428 40.4294 173.3356 40 P 4.7758 0.0000 0.0000 62.2704 32.1417 177.3486 41 L 3.9531 9.0290 126.8632 59.3488 41.8145 180.5904 42 K 4.2903 7.9628 123.9445 59.5994 31.5123 180.3945 43 H 4.4166 8.2073 116.6296 58.8012 28.6955 177.9658 44 L 3.9887 7.8516 120.3965 57.7730 41.0596 179.0352 45 E 4.0709 8.6728 121.3822 59.8389 29.2140 179.4389 46 R 4.4524 7.9234 117.1767 56.8924 30.3364 178.0528 47 R 3.8722 7.7425 115.9953 57.6759 28.4738 176.8176 48 D 4.2212 8.3185 117.1755 54.5762 41.8593 176.6347 49 A 4.0458 8.6455 129.3803 55.2694 18.3651 178.8909 50 E 3.9803 8.1388 116.7438 59.4736 29.6235 179.4122 51 S 4.1785 8.4558 115.3939 61.0843 62.8224 176.3255 52 L 3.9558 7.8539 123.0604 57.9151 41.7216 178.9284 53 K 3.8818 8.1734 119.6119 59.3578 32.1616 178.3035 54 L 3.9279 8.0763 120.7329 58.1887 41.9271 178.8495 55 L 3.9782 7.9578 120.0084 58.1664 42.0522 178.8778 56 K 3.9950 8.2607 118.6367 59.6580 32.0152 178.9005 57 E 3.9856 8.6323 119.5118 59.1671 29.2339 178.6797 58 A 4.1226 8.2520 120.8956 55.2770 18.4801 179.7303 59 I 3.7530 7.9882 118.3776 64.3773 37.1437 178.5120 60 W 3.9971 8.5985 129.3777 60.2551 30.2556 177.4581 61 E 4.0004 8.2485 118.7785 59.2911 29.0842 178.2516 62 E 3.8149 7.4892 117.8505 58.5098 30.0921 177.9094 63 K 4.0762 7.7768 116.8897 54.9538 33.8534 176.2909 64 Q 2.0000 8.3549 117.4270 56.1327 26.6291 174.5739 65 G 3.7863 7.0000 101.0972 46.0529 0.0000 173.8146 66 T 3.8168 7.7673 109.7232 61.5149 67.6538 176.8192 *70 A 4.0428 8.9765 116.1360 50.9166 20.3170 177.4362 71 A 4.2311 8.6164 122.3100 52.6910 19.1655 177.6002 72 V 3.8582 8.8041 122.5702 62.2171 33.0760 173.4333 73 P 4.8102 0.0000 0.0000 62.5641 32.5884 175.0820 74 I 4.9231 8.7064 126.4724 59.6114 39.9250 174.4470 75 Y 5.0256 9.1471 124.5752 56.0752 41.4089 174.8791 76 V 4.7985 8.5289 121.6256 61.2041 35.0392 174.1781 77 I 4.9662 8.8419 127.1080 59.8191 42.0015 173.9577 78 C 4.7853 8.0463 120.1576 57.4974 32.4219 173.3940 79 K 4.0660 9.1108 118.8270 59.7564 31.7474 178.9109 80 L 4.7289 8.2394 114.6813 53.8719 43.5414 177.2432 81 G 4.0628 8.4743 106.6250 45.4885 0.0000 174.8777 82 N 4.4965 8.0700 117.6649 56.2709 39.0516 177.0794 83 D 4.4574 8.0133 119.9320 57.3274 40.8318 178.8748 84 S 4.1543 8.0169 114.3839 61.5041 62.8308 176.3957 85 Q 3.9869 7.7069 120.7659 58.7876 28.2754 178.9952 86 K 3.9857 8.0175 118.8386 59.2604 32.1099 179.1598 87 A 3.9705 7.8605 120.8611 54.9311 18.2042 179.6077 88 V 3.5421 8.1715 119.6227 66.8094 31.5711 178.8763 89 K 3.9162 7.7112 123.2202 60.0449 31.5175 180.8239 90 I 3.9124 7.5183 121.2334 64.1520 36.9801 178.6227 91 L 4.0054 8.1081 119.9182 57.9372 41.3509 179.5982 92 Q 3.9941 8.3779 118.2342 59.0711 28.5965 179.1158 93 S 4.1413 8.0951 116.2314 61.3107 62.8534 176.6807 94 L 3.9785 8.0637 121.8531 57.7032 41.3310 179.2674 95 S 4.0468 8.2342 112.8580 61.6085 62.1680 176.1812 96 A 3.9889 8.1393 121.9552 54.7344 18.1847 178.4999 97 A 4.2456 7.8987 116.6238 51.6900 18.9357 177.3173 98 Q 3.6922 7.8576 115.0819 56.9522 26.9120 174.8610 99 E 4.2328 8.2322 119.2349 57.6802 29.9655 176.9322 100 L 4.8764 7.4555 116.7864 52.1989 44.9352 175.8003 101 D 4.5872 8.5828 120.4572 53.9548 41.5235 174.9069 102 P 4.4732 0.0000 0.0000 63.1192 32.3200 175.5312 103 L 5.2458 8.6215 122.7810 53.2282 45.7118 176.0487 104 T 4.5402 8.8903 118.6753 61.8095 71.0781 173.2930 105 V 4.7536 8.3206 126.1069 61.0758 34.2210 174.8286 106 R 4.9937 8.5465 125.5348 54.6432 34.8243 173.9359 107 D 5.3394 8.7703 121.8218 51.7735 42.9600 175.3662 108 V 4.4757 8.2454 120.1982 61.5271 32.6452 175.6727 109 V 3.8522 8.4951 129.5247 64.3424 31.6751 176.3277 110 G 3.9110 8.8526 115.8279 44.1595 0.0000 175.0829 111 G 3.7969 7.8999 108.5112 45.9163 0.0000 175.5180 112 L 3.9245 8.1533 116.6351 54.4327 40.9632 179.0027 *114 A 4.2623 8.0594 122.8965 52.0413 20.9497 179.3628 115 W 4.1298 8.3652 124.9875 60.7849 30.4943 178.1178 116 A 4.3936 8.5870 120.7420 55.1946 17.6078 179.5168 117 A 3.9760 8.0248 118.0309 54.4907 18.6518 178.2948 118 K 4.3242 8.0079 114.7950 56.9419 34.4243 177.1746 119 I 3.7537 7.7863 117.9499 62.1820 38.2762 175.9011 120 D 4.3236 7.0661 123.6116 52.7722 41.7859 175.4308 121 G 3.9425 8.5752 115.6938 46.9171 0.0000 172.8985 122 T 4.1144 8.7194 110.1212 63.0393 69.3397 174.8510 123 F 4.1215 8.2572 126.2942 57.2739 39.7800 173.0464 124 P 4.6889 0.0000 0.0000 61.8057 32.4380 175.9690 125 Q 4.3098 8.4138 118.6233 56.6097 29.3881 176.2016 126 Y 4.4485 7.8423 117.3866 57.6889 37.5959 174.5032 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 0 S 8.19 4.55 0.00 3.78 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 1 R 7.73 5.20 0.00 1.74 1.89 0.00 3.16 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 2 V 8.72 4.76 2.34 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 1.09 0.00 0.00 1.07 0.00 0.00 3 S 8.75 4.69 0.00 3.95 4.07 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 4 V 8.56 3.81 2.18 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 0.85 0.00 0.00 1.18 0.00 0.00 5 T 7.87 3.88 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 1.17 0.00 0.00 6 D 8.29 4.33 0.00 2.90 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 7 Y 8.27 3.75 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 8 K 8.32 3.88 0.00 1.82 1.85 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.21 1.40 7.81 9 R 7.89 3.79 0.00 1.97 1.89 0.00 3.15 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 10 L 7.50 3.76 0.00 1.37 1.35 0.81 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.49 3.86 0.00 1.13 1.57 0.79 1.29 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 12 D 7.98 4.49 0.00 2.74 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 13 S 7.63 4.27 0.00 4.02 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 14 G 7.94 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 15 A 7.70 4.19 1.29 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 0.00 0.00 16 F 8.72 4.35 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 17 H 7.28 4.35 0.00 3.47 3.25 0.00 5.52 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.46 4.59 0.00 1.55 1.54 1.02 0.50 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 19 L 8.46 4.93 0.00 1.87 1.43 0.55 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 20 L 9.14 5.04 0.00 1.54 1.54 0.90 0.95 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 21 D 9.04 4.89 0.00 2.62 2.53 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 0.00 0.00 0.00 0.00 22 V 8.24 5.31 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 0.66 0.00 0.00 0.98 0.00 0.00 23 R 8.06 4.42 0.00 1.94 1.90 0.00 3.46 0.00 0.00 3.47 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 24 P 0.00 4.51 0.00 2.36 2.20 0.00 3.58 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 2.11 2.16 0.00 25 Q 8.73 3.98 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 26 V 7.71 3.58 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 0.88 0.00 0.00 0.93 0.00 0.00 27 E 8.02 3.87 0.00 2.17 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 2.63 2.44 0.00 28 V 7.55 3.51 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 0.83 0.00 0.00 0.76 0.00 0.00 29 D 8.05 4.51 0.00 2.77 2.65 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 30 I 7.11 3.77 1.42 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.46 0.68 0.00 0.00 31 C 6.42 4.53 0.00 2.45 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 32 R 7.88 4.69 0.00 1.88 1.86 0.00 2.99 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 33 L 8.28 4.36 0.00 1.48 1.49 -0.25 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.34 0.00 2.08 2.14 0.00 3.75 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 35 H 8.20 4.41 0.00 3.29 3.44 0.00 5.53 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 36 A 7.44 4.22 1.13 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 0.00 0.00 37 L 8.88 4.35 0.00 1.73 1.53 0.94 1.01 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 38 H 8.79 5.11 0.00 3.14 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.65 4.36 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 1.20 0.66 0.89 0.00 0.00 40 P 0.00 4.78 0.00 1.96 1.89 0.00 3.22 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 41 L 9.03 3.95 0.00 1.73 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.96 4.29 0.00 1.80 1.81 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 0.96 7.81 43 H 8.21 4.42 0.00 3.37 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.85 3.99 0.00 1.86 1.71 0.91 0.97 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 45 E 8.67 4.07 0.00 2.15 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 2.33 2.50 0.00 46 R 7.92 4.45 0.00 1.90 1.80 0.00 3.42 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 47 R 7.74 3.87 0.00 1.94 1.99 0.00 3.31 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 48 D 8.32 4.22 0.00 2.61 2.53 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 0.00 0.00 0.00 0.00 49 A 8.65 4.05 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 50 E 8.14 3.98 0.00 2.14 2.00 0.00 0.00 0.00 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 2.32 0.00 51 S 8.46 4.18 0.00 3.91 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 52 L 7.85 3.96 0.00 1.79 1.86 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.17 3.88 0.00 1.95 1.99 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 54 L 8.08 3.93 0.00 1.93 1.91 0.98 0.42 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 55 L 7.96 3.98 0.00 1.83 1.84 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.26 4.00 0.00 2.00 1.90 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.62 7.81 57 E 8.63 3.99 0.00 2.02 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 0.00 2.36 2.37 0.00 58 A 8.25 4.12 1.49 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 0.00 0.00 59 I 7.99 3.75 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.18 1.00 0.00 0.00 60 W 8.60 4.00 0.00 3.62 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 61 E 8.25 4.00 0.00 2.23 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 2.36 2.38 0.00 62 E 7.49 3.81 0.00 1.27 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 1.47 1.71 0.00 63 K 7.78 4.08 0.00 1.56 1.58 0.00 1.76 0.00 0.00 1.41 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.49 7.81 64 Q 8.35 2.00 0.00 1.69 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.26 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 65 G 7.00 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 66 T 7.77 3.82 4.14 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 0.00 0.00 0.00 1.11 0.00 0.00 *70 A 8.98 4.04 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 71 A 8.62 4.23 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 72 V 8.80 3.86 2.15 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 1.16 0.00 0.00 1.05 0.00 0.00 73 P 0.00 4.81 0.00 2.26 2.09 0.00 3.68 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 74 I 8.71 4.92 1.75 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 1.30 0.86 0.00 0.00 75 Y 9.15 5.03 0.00 2.85 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 76 V 8.53 4.80 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 0.95 0.00 0.00 0.87 0.00 0.00 77 I 8.84 4.97 1.62 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 1.14 1.19 0.70 0.00 0.00 78 C 8.05 4.79 0.00 2.99 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 79 K 9.11 4.07 0.00 2.08 1.88 0.00 1.47 0.00 0.00 1.54 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.32 7.81 80 L 8.24 4.73 0.00 1.61 1.61 0.89 0.93 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 81 G 8.47 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 82 N 8.07 4.50 0.00 2.74 2.86 0.00 0.00 7.07 8.08 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 83 D 8.01 4.46 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 4.15 0.00 4.01 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 85 Q 7.71 3.99 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 86 K 8.02 3.99 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.50 7.81 87 A 7.86 3.97 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 88 V 8.17 3.54 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 1.03 0.00 0.00 0.96 0.00 0.00 89 K 7.71 3.92 0.00 1.76 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.37 7.81 90 I 7.52 3.91 1.98 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 1.52 0.69 0.91 0.00 0.00 91 L 8.11 4.01 0.00 1.80 1.69 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.38 3.99 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 93 S 8.10 4.14 0.00 4.03 3.90 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 94 L 8.06 3.98 0.00 1.87 1.72 0.92 0.67 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 95 S 8.23 4.05 0.00 3.97 4.03 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 96 A 8.14 3.99 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 97 A 7.90 4.25 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 98 Q 7.86 3.69 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 99 E 8.23 4.23 0.00 1.98 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 2.33 2.28 0.00 100 L 7.46 4.88 0.00 1.60 1.56 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.58 4.59 0.00 2.71 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 0.00 102 P 0.00 4.47 0.00 2.08 1.98 0.00 3.56 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 2.12 2.14 0.00 103 L 8.62 5.25 0.00 1.47 1.49 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.89 4.54 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 1.16 0.00 0.00 105 V 8.32 4.75 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 0.74 0.00 0.00 0.87 0.00 0.00 106 R 8.55 4.99 0.00 1.56 1.75 0.00 3.14 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.00 107 D 8.77 5.34 0.00 2.81 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 0.00 108 V 8.25 4.48 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 0.94 0.00 0.00 0.67 0.00 0.00 109 V 8.50 3.85 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 0.81 0.00 0.00 0.95 0.00 0.00 110 G 8.85 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 0.00 111 G 7.90 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 0.00 112 L 8.15 3.92 0.00 1.67 1.19 0.93 0.24 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 *114 A 8.06 4.26 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 0.00 115 W 8.37 4.13 0.00 3.38 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 0.00 116 A 8.59 4.39 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.98 1.35 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 0.00 0.00 118 K 8.01 4.32 0.00 1.80 1.76 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.34 7.81 119 I 7.79 3.75 0.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.21 -0.35 0.00 0.00 120 D 7.07 4.32 0.00 2.48 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 0.00 121 G 8.58 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 0.00 122 T 8.72 4.11 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 1.30 0.00 0.00 123 F 8.26 4.12 0.00 3.39 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 0.00 124 P 0.00 4.69 0.00 2.23 1.97 0.00 2.51 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 125 Q 8.41 4.31 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 126 Y 7.84 4.45 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.