NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3682 0.0000 0.0000 62.4046 32.1476 175.3567 3 R 4.3006 7.7237 124.0086 53.9704 29.8650 175.2441 4 A 4.2515 8.4132 122.2846 51.2863 18.6545 178.9135 5 K 4.3135 8.1469 121.8660 57.3584 32.3232 176.4859 6 T 4.1104 8.3914 113.8638 65.8063 69.9834 175.1134 7 G 3.7395 7.9346 104.6293 47.2911 0.0000 173.7948 8 V 4.2077 9.5325 126.1557 60.8991 40.3000 177.1697 9 V 3.1321 6.7766 117.2406 64.9355 33.6761 177.5511 10 R 3.7603 7.9079 117.0646 59.9086 29.9819 177.6252 11 R 3.8296 8.2851 117.8145 60.0799 29.8562 178.0320 12 R 3.8502 8.0011 116.2479 59.8248 30.3896 178.6493 13 K 3.8223 8.6157 117.9503 60.1876 32.1092 179.0453 14 H 4.3855 8.8062 116.6221 58.7306 28.6778 177.9350 15 K 4.1929 8.3761 119.6637 59.8849 32.3965 178.2309 16 K 3.9718 8.4177 121.8475 59.8314 31.9611 178.6772 17 I 3.7790 8.0007 119.4645 64.1667 36.9259 178.2707 18 L 3.9645 8.2507 120.9825 58.5353 42.1719 178.2634 19 K 3.8506 8.2918 118.5980 58.6951 31.6016 179.4328 20 L 3.7688 7.3553 120.5145 57.6594 42.1535 179.2274 21 A 3.4279 7.8299 119.0781 55.0905 18.7407 177.8960 22 K 4.3101 6.9773 113.2824 55.4628 31.6563 176.4306 23 G 4.1084 8.7870 111.9388 45.4713 0.0000 175.6985 24 Y 4.9226 6.8518 117.6359 57.6815 37.2026 174.5693 25 W 5.1373 8.6436 133.0685 59.3231 32.8121 179.4757 26 G 3.6763 7.5964 103.4899 45.0061 0.0000 176.1441 27 L 4.1668 8.8649 129.6404 57.0493 42.0463 178.9385 28 R 3.9653 8.2078 118.0085 58.7511 30.6129 176.7544 29 S 5.1524 8.3125 109.7374 56.3529 62.5991 173.9132 30 K 4.5066 7.6413 114.8148 57.2289 38.6826 176.4596 31 S 4.5354 8.0655 117.3462 56.8396 63.2042 175.2742 *32 F 3.9781 8.7023 125.9476 58.3694 38.3407 172.2067 33 R 4.5231 8.6517 114.9793 58.2337 32.4278 177.5512 34 K 4.0071 10.4167 118.3435 59.3604 31.9475 178.0592 35 A 4.6109 8.2675 121.2693 55.3187 18.2932 179.3335 36 R 3.5151 7.6804 113.5608 59.2730 30.4593 177.8104 37 E 2.7810 8.5763 117.8371 59.9042 29.6195 179.5423 38 T 3.6601 7.9759 114.7954 66.9701 68.6340 175.9493 39 L 4.0522 8.3683 120.6502 58.3480 41.9542 179.4435 40 F 4.2794 8.1359 116.5611 61.3212 38.9210 177.1480 41 A 3.6754 7.8610 118.7966 55.8074 17.5400 179.3022 42 A 3.9060 8.4265 118.4208 55.0780 18.1315 179.8512 43 G 3.6567 8.5922 104.6509 48.3802 0.0000 175.1866 44 N 4.5392 8.4211 118.9112 56.8262 38.6850 177.3266 45 Y 3.7436 8.5402 110.9007 59.8362 38.1518 178.4816 46 A 4.0847 7.3322 123.3856 56.6503 19.0043 178.6673 47 Y 4.0765 7.7623 115.0719 61.5981 38.8239 177.9864 48 A 3.8478 9.8106 121.9939 55.8629 18.5201 179.4234 49 H 4.1052 9.1599 115.2225 58.7136 28.5458 177.8428 50 R 3.8546 8.2295 120.2029 59.1529 29.8262 178.3155 51 K 4.0804 7.2249 117.4917 59.2218 32.4247 178.5428 52 R 3.7697 8.9643 119.3288 56.2746 29.5534 180.8409 53 R 3.4264 7.1698 119.4219 59.5241 32.6541 176.9780 54 K 3.7311 8.1386 116.5598 59.9961 31.6708 178.2454 55 R 4.0283 8.5175 116.2095 58.2784 29.5610 178.1152 56 D 4.4291 7.6240 119.3060 57.1501 41.5152 177.8415 57 F 3.3719 8.4249 118.6742 59.9490 38.6863 177.7563 58 R 4.3240 7.8112 118.0354 60.5559 29.7647 178.1875 59 R 4.0928 7.9270 118.2930 57.4629 29.7000 179.6433 60 L 3.5485 7.6358 121.7871 57.6891 42.1892 178.8356 61 W 4.4188 9.0462 120.4333 57.3910 28.6391 179.5357 62 I 3.5522 7.3516 121.4243 64.6620 37.0726 177.1107 63 V 3.5203 7.8904 119.5327 65.6744 31.0674 178.4536 64 R 4.0120 8.2197 117.1973 60.0209 30.0865 178.0069 65 I 3.5342 8.2088 118.2540 64.5120 36.7976 177.1017 66 N 3.9911 8.6608 118.4729 57.4222 39.0211 177.1396 67 A 4.0626 8.8976 121.7907 53.9951 18.5434 177.7956 68 A 4.5152 7.5045 117.5664 54.0575 20.7817 178.3940 69 C 3.6145 9.0914 113.8042 61.2833 28.8067 176.3409 70 R 4.8127 7.7942 122.3245 58.9208 29.6355 177.8848 71 Q 3.9145 7.9128 117.9773 58.9980 29.0055 177.5417 72 H 4.9203 8.5632 113.4109 55.6215 29.4927 174.0279 73 G 3.3905 7.9196 111.6976 44.3423 0.0000 173.1613 74 L 4.3963 7.3758 118.9448 53.2947 42.6465 173.6470 75 N 4.9395 8.2654 117.7718 52.7564 39.5268 174.7423 76 Y 4.2278 9.7353 123.1636 61.1300 38.7664 178.7612 77 S 4.0477 8.5108 114.5129 62.5883 62.7295 175.9702 78 T 4.1112 7.9196 119.0561 65.3093 66.9286 176.1424 79 F 3.9490 8.6539 123.5260 60.8816 39.4199 177.2780 80 I 3.7475 7.6218 118.4594 63.4761 37.9074 176.9866 81 H 4.1571 8.0892 119.3824 59.5015 29.7133 177.2428 82 G 3.6689 8.5086 107.6128 48.1395 0.0000 174.2457 83 L 3.8707 7.4009 122.0533 55.6357 41.4583 178.4112 84 K 3.7900 7.4223 122.3228 59.6582 32.8083 177.8539 85 K 3.9031 8.1247 118.8741 59.7539 32.2063 178.4584 86 A 4.2786 7.6928 119.0415 52.2237 18.3467 177.8337 87 G 3.9589 8.8050 106.3896 46.5097 0.0000 175.1910 88 I 4.4773 7.8803 121.9550 59.1143 37.5265 175.6367 89 E 4.0097 8.0436 119.8633 58.7285 30.3340 177.3978 90 V 3.7482 7.2674 117.6451 64.4426 32.4576 172.5256 91 D 4.3234 9.1380 116.9480 53.6840 40.9869 170.6626 92 R 3.7818 7.5358 121.7034 55.5957 29.9559 177.2234 93 K 3.8444 8.7562 122.5344 58.4436 32.7387 177.1615 94 N 3.1400 8.2931 118.6569 54.9743 39.0290 176.2322 95 L 4.7997 7.2818 117.0106 55.4347 41.5302 178.9524 96 A 4.6515 8.0248 124.1352 54.3086 18.3336 179.4806 97 D 4.3755 8.1918 118.3638 56.0588 39.1845 179.1176 98 L 3.8727 7.5910 121.1295 57.9461 41.4980 178.8610 99 A 3.3918 7.8855 119.0761 53.9778 18.1113 178.0772 100 V 3.8821 7.8927 115.9712 63.0309 32.8058 176.0282 101 R 4.4228 8.3451 119.7638 55.5047 31.2903 176.3615 102 E 3.8101 8.7165 115.0121 56.5053 27.9245 173.6678 103 P 4.4680 0.0000 0.0000 65.6885 31.5161 177.9352 104 Q 4.1627 8.3237 118.3341 59.4857 28.4513 179.0954 105 V 3.6938 7.6959 118.7419 66.0981 31.6007 177.2356 106 F 4.3298 8.5831 119.0757 61.8037 39.0713 176.8962 107 A 4.1105 9.0584 119.9430 55.4977 18.2982 179.4774 108 E 3.9086 8.0145 116.5077 59.4991 29.4970 179.3685 109 L 3.9629 8.4845 119.3631 57.9653 41.5132 179.6392 110 V 3.7272 8.4538 118.3063 67.0068 30.9949 177.0824 111 E 3.8837 8.3482 117.6019 59.2780 29.0994 179.3148 112 R 3.9312 9.2151 119.5309 59.9391 30.4494 178.0891 113 A 4.0636 8.2205 121.3638 54.1778 18.5625 179.4931 114 K 3.9458 10.0955 117.5429 59.3427 32.7750 178.9826 115 A 4.0892 8.9665 122.3511 54.8946 18.4803 178.7649 116 A 4.3097 7.4082 118.1054 54.0220 18.6249 177.4503 117 Q 4.2635 7.8223 115.4150 54.6953 30.7900 175.5264 118 G 3.7399 8.3604 110.8533 46.0545 0.0000 171.6077 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 P 0.00 4.37 0.00 2.05 2.09 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 3 R 7.72 4.30 0.00 1.78 1.80 0.00 3.28 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.75 0.00 4 A 8.41 4.25 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 5 K 8.15 4.31 0.00 1.75 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 6 T 8.39 4.11 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 7 G 7.93 3.74 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 0.00 0.00 0.00 8 V 9.53 4.21 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 0.91 0.00 0.00 0.93 0.00 0.00 9 V 6.78 3.13 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 0.92 0.00 0.00 0.98 0.00 0.00 10 R 7.91 3.76 0.00 1.89 1.90 0.00 3.28 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 11 R 8.29 3.83 0.00 1.91 2.01 0.00 3.18 0.00 0.00 3.17 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 12 R 8.00 3.85 0.00 2.03 1.98 0.00 3.21 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 13 K 8.62 3.82 0.00 1.92 1.86 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 14 H 8.81 4.39 0.00 3.40 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.38 4.19 0.00 1.85 1.96 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.57 7.81 16 K 8.42 3.97 0.00 2.02 2.06 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.49 7.81 17 I 8.00 3.78 1.93 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 1.46 1.39 0.97 0.00 0.00 18 L 8.25 3.96 0.00 1.73 1.79 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.29 3.85 0.00 1.93 1.72 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.86 7.81 20 L 7.36 3.77 0.00 1.80 1.72 0.93 0.80 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 21 A 7.83 3.43 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 22 K 6.98 4.31 0.00 1.81 1.65 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.70 1.53 7.81 23 G 8.79 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 0.00 0.00 0.00 24 Y 6.85 4.92 0.00 3.07 2.79 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 25 W 8.64 5.14 0.00 3.22 2.94 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 26 G 7.60 3.68 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 0.00 0.00 0.00 27 L 8.86 4.17 0.00 1.67 1.70 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.21 3.97 0.00 2.08 2.13 0.00 3.38 0.00 0.00 3.54 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 29 S 8.31 5.15 0.00 3.80 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 30 K 7.64 4.51 0.00 1.65 1.77 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.31 7.81 31 S 8.07 4.54 0.00 3.84 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 *32 F 8.70 3.98 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.65 4.52 0.00 1.83 2.10 0.00 2.78 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 34 K 10.42 4.01 0.00 1.84 1.99 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.73 7.81 35 A 8.27 4.61 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 36 R 7.68 3.52 0.00 1.84 1.77 0.00 3.34 0.00 0.00 3.51 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 37 E 8.58 2.78 0.00 1.99 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 2.14 2.19 0.00 38 T 7.98 3.66 4.44 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 0.94 0.00 0.00 39 L 8.37 4.05 0.00 1.93 1.94 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.14 4.28 0.00 3.08 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 41 A 7.86 3.68 1.08 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 0.00 0.00 42 A 8.43 3.91 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 43 G 8.59 3.66 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 0.00 0.00 0.00 44 N 8.42 4.54 0.00 2.96 3.08 0.00 0.00 7.15 6.99 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 45 Y 8.54 3.74 0.00 3.09 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 46 A 7.33 4.08 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 47 Y 7.76 4.08 0.00 2.97 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 48 A 9.81 3.85 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 49 H 9.16 4.11 0.00 3.36 3.34 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.23 3.85 0.00 1.91 1.84 0.00 3.28 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 51 K 7.22 4.08 0.00 1.71 1.72 0.00 1.09 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.24 7.81 52 R 8.96 3.77 0.00 1.83 1.67 0.00 3.19 0.00 0.00 3.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 53 R 7.17 3.43 0.00 1.85 1.87 0.00 2.99 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.62 0.00 54 K 8.14 3.73 0.00 1.80 1.76 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.60 7.81 55 R 8.52 4.03 0.00 2.02 2.17 0.00 2.73 0.00 0.00 3.06 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 56 D 7.62 4.43 0.00 2.65 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.42 3.37 0.00 2.62 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 58 R 7.81 4.32 0.00 1.83 2.16 0.00 3.16 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 59 R 7.93 4.09 0.00 1.99 1.71 0.00 3.07 0.00 0.00 3.08 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 60 L 7.64 3.55 0.00 0.95 1.13 -0.11 0.75 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 61 W 9.05 4.42 0.00 3.64 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 62 I 7.35 3.55 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.23 0.00 0.00 63 V 7.89 3.52 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 0.99 0.00 0.00 0.86 0.00 0.00 64 R 8.22 4.01 0.00 1.92 1.90 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 65 I 8.21 3.53 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.90 1.16 0.00 0.00 66 N 8.66 3.99 0.00 3.02 2.86 0.00 0.00 7.30 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 67 A 8.90 4.06 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 68 A 7.50 4.52 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 69 C 9.09 3.61 0.00 1.86 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 70 R 7.79 4.81 0.00 2.06 2.01 0.00 3.19 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 71 Q 7.91 3.91 0.00 2.21 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 72 H 8.56 4.92 0.00 3.21 3.26 0.00 5.72 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 73 G 7.92 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.38 4.40 0.00 1.87 1.75 1.12 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.27 4.94 0.00 3.04 3.05 0.00 0.00 5.56 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 76 Y 9.74 4.23 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.51 4.05 0.00 4.13 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 0.00 78 T 7.92 4.11 4.53 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 1.24 0.00 0.00 79 F 8.65 3.95 0.00 3.11 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 80 I 7.62 3.75 1.48 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 0.60 -0.36 0.72 0.00 0.00 81 H 8.09 4.16 0.00 3.25 3.42 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.51 3.67 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 0.00 0.00 0.00 83 L 7.40 3.87 0.00 1.62 1.27 0.25 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.42 3.79 0.00 1.69 1.92 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.50 7.81 85 K 8.12 3.90 0.00 1.59 1.86 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 86 A 7.69 4.28 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 87 G 8.80 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.88 4.48 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.36 0.80 0.00 0.00 89 E 8.04 4.01 0.00 1.93 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 2.28 2.30 0.00 90 V 7.27 3.75 2.06 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 0.77 0.00 0.00 0.90 0.00 0.00 91 D 9.14 4.32 0.00 2.91 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 92 R 7.54 3.78 0.00 2.09 2.05 0.00 2.90 0.00 0.00 3.03 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.00 93 K 8.76 3.84 0.00 1.90 2.19 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.80 1.88 7.81 94 N 8.29 3.14 0.00 1.44 1.72 0.00 0.00 7.14 6.54 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 95 L 7.28 4.80 0.00 1.94 1.61 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.02 4.65 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.19 4.38 0.00 2.83 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 98 L 7.59 3.87 0.00 1.67 1.79 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.89 3.39 -0.50 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 0.00 100 V 7.89 3.88 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 0.77 0.00 0.00 0.84 0.00 0.00 101 R 8.35 4.42 0.00 1.76 1.82 0.00 3.53 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 102 E 8.72 3.81 0.00 2.23 2.20 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 2.30 2.29 0.00 103 P 0.00 4.47 0.00 2.41 2.38 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 104 Q 8.32 4.16 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 105 V 7.70 3.69 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 1.05 0.00 0.00 1.02 0.00 0.00 106 F 8.58 4.33 0.00 3.05 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 0.00 107 A 9.06 4.11 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 0.00 108 E 8.01 3.91 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 109 L 8.48 3.96 0.00 1.92 1.83 1.18 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.45 3.73 2.20 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 1.04 0.00 0.00 0.70 0.00 0.00 111 E 8.35 3.88 0.00 2.14 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 2.48 2.50 0.00 112 R 9.22 3.93 0.00 1.82 1.97 0.00 3.25 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 113 A 8.22 4.06 1.12 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 0.00 114 K 10.10 3.95 0.00 1.92 1.97 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.44 7.81 115 A 8.97 4.09 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 0.00 116 A 7.41 4.31 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 0.00 117 Q 7.82 4.26 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 118 G 8.36 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.