NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.3439 8.2993 120.1332 56.7945 33.5428 173.8149 8 E 4.7372 8.1706 115.8873 55.6712 32.4568 172.2641 9 A 4.5864 9.4268 121.6873 51.4082 24.0532 176.3111 10 V 4.7712 8.2333 118.4687 61.3106 34.1773 174.7978 11 I 4.1711 8.6745 129.2849 60.4236 38.2346 174.7714 12 I 5.1751 8.2462 128.0041 59.6202 39.9507 174.9655 13 M 5.0582 9.0624 122.6830 53.8892 35.1748 173.5715 14 N 5.5230 9.6111 117.0780 51.5398 43.2849 173.9744 15 V 4.7449 8.8811 119.9620 61.4222 33.8522 174.0745 16 A 5.2913 9.0820 129.8105 49.7160 22.2918 175.3188 17 A 4.4840 8.3543 121.4980 51.4399 19.7923 177.7146 18 H 4.1676 8.6108 116.1994 55.5940 29.4578 174.8978 19 H 4.1579 8.8032 122.1342 58.3782 29.6872 175.1677 20 G 4.0307 9.2237 114.2988 45.3432 0.0000 172.3259 21 S 4.7088 7.7701 112.4673 56.8354 66.4543 172.4878 22 E 4.8196 8.1729 117.0985 54.6462 33.7739 175.6487 23 L 4.3370 8.8808 122.3230 54.2730 43.7407 175.6314 24 N 4.3774 8.5086 119.4763 53.2628 39.5471 175.6025 25 G 2.2547 8.5223 113.9462 47.5156 0.0000 175.5398 26 E 3.9848 7.7809 120.7945 58.8813 29.7628 178.6227 27 L 3.8519 7.7817 119.9936 58.2126 41.9978 178.7348 28 L 3.7851 7.8830 119.8383 58.2847 42.1728 178.7898 29 L 3.7281 7.5463 118.6436 57.8458 41.4714 179.3884 30 N 4.3030 8.3182 116.5776 56.4659 38.5509 177.7113 31 S 4.1410 7.9495 115.4899 61.2999 63.0205 176.5251 32 I 3.4505 7.6487 123.4809 64.2420 36.7494 178.4533 33 Q 4.4003 7.7947 119.8834 58.5266 28.4055 178.3648 34 Q 4.1754 8.2975 119.5786 58.9689 29.0979 177.6621 35 A 4.3463 7.9563 119.8151 52.5746 18.7997 177.9644 36 G 4.0065 8.4212 105.3485 44.7305 0.0000 174.2439 37 F 4.5952 8.4910 119.2733 57.3944 40.3674 174.4990 38 I 4.8219 8.9652 123.6818 59.2033 40.1773 174.8553 39 F 3.9307 9.0115 129.3248 57.4560 39.8173 173.7798 40 G 3.5908 8.3949 117.9669 44.5641 0.0000 173.6833 41 D 4.2782 8.5180 123.5271 56.1935 41.1710 177.0745 42 M 3.0465 9.0576 123.6139 55.3860 29.8004 175.9973 43 N 3.5827 8.0235 115.2560 54.1427 36.3941 173.1441 44 I 5.1861 6.7931 109.4022 59.9320 42.2896 173.4928 45 Y 5.1635 8.9182 118.7958 57.2378 40.3391 175.0704 46 H 5.3013 9.4823 118.6851 54.1954 33.4361 172.1972 47 R 4.3222 8.3143 123.4440 55.0535 31.6291 175.4100 48 H 5.0488 8.1924 124.6758 54.2569 30.6509 173.2292 49 L 3.8475 7.7935 123.4902 58.0668 42.4991 178.5852 *50 S 4.4631 7.8199 123.6960 56.6449 61.7925 171.7443 51 P 4.4380 0.0000 0.0000 60.8718 29.9577 174.8198 52 D 4.3553 8.6877 122.2896 52.7958 43.3785 178.1324 53 G 3.7692 8.5009 108.6434 44.9435 0.0000 173.9509 54 S 4.0435 8.1770 115.1965 59.1594 63.6783 174.6126 55 G 3.7702 8.5683 109.1041 43.8685 0.0000 170.8549 56 P 4.3461 0.0000 0.0000 61.6739 32.1054 175.7156 57 A 3.8045 8.1593 122.8627 51.8543 19.0225 177.8253 58 L 4.3646 8.3897 124.6974 57.3770 42.1542 177.0818 59 F 4.9989 6.7082 111.0379 55.8605 41.6781 172.7778 60 S 5.3612 8.5743 115.1432 56.5300 67.2685 172.7983 61 L 5.4025 9.2606 121.9598 53.5934 45.0131 175.0423 62 A 5.3373 9.5919 127.3866 50.0275 23.0824 174.4104 63 N 4.7671 8.2763 118.4634 53.4716 39.7826 176.0321 64 M 4.2391 8.6651 124.3488 57.1736 33.0794 176.8500 65 V 3.7826 7.6832 119.9122 61.4831 32.1211 174.8698 66 K 3.9887 8.6720 128.3839 56.7344 32.2982 173.8457 67 P 4.5301 0.0000 0.0000 63.1170 31.4361 176.6018 68 G 4.4062 8.3406 107.2842 45.3408 0.0000 173.5926 69 T 4.7255 7.3497 109.1003 60.0318 71.4966 173.0965 70 F 5.1372 8.9410 119.8516 55.8924 42.8210 175.4825 71 D 4.7301 8.5703 119.0912 51.3672 42.2353 174.0979 72 P 4.2790 0.0000 0.0000 64.1388 31.2418 176.7389 73 E 4.4659 7.7189 118.1825 55.9774 30.8509 175.3404 74 M 4.2704 7.9144 118.4564 55.9675 33.3941 176.7383 75 K 5.0127 8.2907 125.0160 55.8967 33.0491 176.9699 *76 D 4.6478 7.9623 112.8070 51.7368 41.5776 176.0409 77 F 5.3358 8.4475 114.5864 56.4005 42.3076 173.5485 78 T 4.8294 8.2801 107.3299 59.7440 72.0213 173.0585 79 T 5.0184 8.3326 115.7491 59.3096 71.0248 172.4297 80 P 4.4038 0.0000 0.0000 64.3321 32.4681 176.5491 81 G 4.2804 6.4431 107.5217 44.4798 0.0000 171.8079 82 V 5.0720 8.2669 112.1970 59.9030 36.5538 175.1597 83 T 4.9561 9.2216 119.4565 62.0575 71.3519 173.1713 84 I 5.1946 8.7764 128.2120 59.7112 39.2393 174.9203 85 F 5.6364 8.9102 121.5860 55.2816 41.9039 173.5139 86 M 4.9585 9.0407 120.0866 53.7859 35.0897 174.0652 87 Q 4.6767 8.9081 128.0221 56.2272 30.1887 175.3733 88 V 4.7389 8.9448 119.0942 58.6965 36.0448 173.4646 89 P 4.7650 0.0000 0.0000 62.6640 32.4589 177.2909 90 S 4.0126 9.1413 115.0571 58.9996 62.4248 174.5094 91 Y 4.5427 8.5145 112.7039 57.6341 37.6725 176.1531 92 G 4.0498 8.4603 109.0607 45.3805 0.0000 173.4379 93 D 4.9761 7.5973 118.7572 52.9320 42.1465 177.0974 94 E 4.0361 8.4514 120.0677 59.6277 29.3692 178.7355 95 L 4.0811 7.9364 118.3238 57.8559 41.6982 179.4934 96 Q 4.1116 8.0742 117.6756 58.8760 28.7876 178.3453 97 L 4.1966 8.0832 119.9474 57.4589 41.5705 179.3476 98 F 4.0358 8.3370 120.8952 61.1940 39.2846 177.2208 99 K 3.7991 7.8698 117.6360 59.4442 31.9071 178.9431 100 L 3.9301 7.8612 120.4249 58.3113 41.9415 178.7487 101 M 2.8818 7.8982 118.3799 58.1844 32.0570 177.9496 102 L 3.6690 7.6249 120.8065 58.0098 42.0946 178.9119 103 Q 3.7889 8.1126 118.1593 59.0127 28.6961 178.8687 104 S 4.2317 8.0614 115.8161 61.7456 62.9739 176.7488 105 A 3.9905 7.9192 123.3185 55.1669 18.1087 179.5346 106 Q 3.9046 8.0202 118.1152 59.4704 29.1993 177.9537 107 H 4.2709 8.4498 117.6897 58.9427 28.9014 177.8094 108 I 3.6207 7.9134 121.1482 64.4678 36.9851 178.0899 109 A 4.0009 8.4615 121.8258 56.0827 18.0514 178.8238 110 D 4.3577 8.3952 117.2839 56.9373 40.6493 178.4245 111 E 4.0604 8.1079 121.1329 59.1638 29.8058 179.2500 112 V 4.2972 7.4410 108.9198 60.0404 32.3526 176.0549 113 G 3.8155 8.5705 107.1287 46.3806 0.0000 173.9383 114 G 4.2093 8.3066 108.5110 44.2075 0.0000 173.7931 115 V 4.6291 8.7422 118.5465 59.6461 35.2693 175.0811 116 V 4.5235 8.2947 122.7724 62.4113 32.6293 174.6404 117 L 5.2834 8.8323 128.1471 52.9247 45.6264 177.2287 118 D 4.8139 8.7802 121.3344 52.7771 41.2880 176.4661 119 D 4.5016 8.4466 117.3008 56.3565 39.4834 176.9074 120 Q 4.4050 8.5803 118.0153 55.0610 28.8520 175.4922 121 R 3.9026 7.8928 115.4918 57.7327 28.0884 176.1719 122 R 4.6999 7.6859 114.0004 53.7755 34.2040 174.5516 123 M 4.0761 8.6468 118.5162 56.3464 32.6070 175.5387 124 M 4.3981 8.2541 125.6468 55.7340 33.0524 175.3643 125 T 4.7134 8.3169 115.2707 58.9956 72.3468 173.3275 126 P 4.2976 0.0000 0.0000 65.7564 31.4070 178.8141 127 Q 3.9736 7.9750 118.1450 58.8223 29.1834 177.8082 128 K 3.8395 7.9013 120.6390 58.9269 32.2067 178.9740 129 L 4.2336 7.7775 119.6053 58.0197 41.6574 179.6845 130 R 4.3620 7.8771 119.0661 58.5796 29.8995 178.7948 131 E 3.9261 7.9184 119.0398 59.1347 29.5947 178.4162 132 Y 4.3217 7.6437 116.4868 61.3550 37.8465 178.5436 133 Q 3.6959 7.6953 118.6370 59.0934 28.7475 178.8468 134 D 4.3529 8.0733 119.7169 57.2058 40.7514 178.9218 135 I 3.7750 7.7015 120.6790 64.1868 37.0999 178.5117 136 I 3.6690 7.6815 120.7177 64.3925 36.7248 178.7215 137 R 3.8859 7.9079 117.8603 59.1604 29.4137 178.1909 138 E 4.0397 8.2624 119.1787 59.5722 29.4285 179.2035 139 V 3.9459 7.8147 118.0247 65.5656 31.3591 177.4936 140 K 4.3895 7.8767 114.7050 57.9275 31.7908 176.7089 141 D 4.5676 8.0280 118.4789 54.0360 43.1507 179.9023 142 A 3.8116 7.4025 126.7367 55.0312 19.7350 177.3878 143 N 4.5287 7.6457 116.8246 53.0903 37.6152 174.8358 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 7 K 8.30 4.34 0.00 1.74 1.86 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.50 7.81 8 E 8.17 4.74 0.00 2.12 1.86 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 2.18 2.39 0.00 9 A 9.43 4.59 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 10 V 8.23 4.77 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 1.01 0.00 0.00 0.98 0.00 0.00 11 I 8.67 4.17 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 0.52 0.00 0.00 12 I 8.25 5.18 1.93 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 1.48 0.68 0.97 0.00 0.00 13 M 9.06 5.06 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 14 N 9.61 5.52 0.00 2.61 2.74 0.00 0.00 6.67 7.43 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 15 V 8.88 4.74 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 1.02 0.00 0.00 0.96 0.00 0.00 16 A 9.08 5.29 1.20 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 0.00 0.00 17 A 8.35 4.48 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 18 H 8.61 4.17 0.00 3.28 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.80 4.16 0.00 3.07 3.29 0.00 5.89 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 20 G 9.22 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 0.00 0.00 0.00 21 S 7.77 4.71 0.00 3.95 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 22 E 8.17 4.82 0.00 1.86 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 0.00 2.28 2.31 0.00 23 L 8.88 4.34 0.00 1.58 1.52 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.51 4.38 0.00 2.73 2.59 0.00 0.00 6.73 7.90 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 25 G 8.52 2.25 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 0.00 26 E 7.78 3.98 0.00 2.05 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 2.43 2.52 0.00 27 L 7.78 3.85 0.00 2.06 1.61 0.94 0.33 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 28 L 7.88 3.79 0.00 1.79 1.78 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.55 3.73 0.00 1.84 1.71 1.19 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.32 4.30 0.00 2.91 2.84 0.00 0.00 6.78 7.94 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 31 S 7.95 4.14 0.00 4.03 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 32 I 7.65 3.45 1.44 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.98 -0.18 0.00 0.00 33 Q 7.79 4.40 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 34 Q 8.30 4.18 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 35 A 7.96 4.35 1.63 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 0.00 0.00 36 G 8.42 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 0.00 0.00 0.00 37 F 8.49 4.60 0.00 3.14 3.17 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 38 I 8.97 4.82 1.97 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 1.20 0.94 0.98 0.00 0.00 39 F 9.01 3.93 0.00 2.47 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 40 G 8.39 3.59 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 0.00 0.00 0.00 41 D 8.52 4.28 0.00 2.63 2.48 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 42 M 9.06 3.05 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 43 N 8.02 3.58 0.00 2.96 3.11 0.00 0.00 6.49 7.05 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 44 I 6.79 5.19 2.41 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 1.09 0.00 0.00 45 Y 8.92 5.16 0.00 3.02 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 46 H 9.48 5.30 0.00 3.05 3.01 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.31 4.32 0.00 0.67 0.66 0.00 2.76 0.00 0.00 2.77 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.75 0.00 48 H 8.19 5.05 0.00 3.01 3.25 0.00 5.95 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.79 3.85 0.00 1.52 1.50 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *50 S 7.82 4.46 0.00 3.69 3.78 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 51 P 0.00 4.44 0.00 2.02 2.04 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 52 D 8.69 4.36 0.00 2.62 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 53 G 8.50 3.77 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 0.00 54 S 8.18 4.04 0.00 3.89 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 55 G 8.57 3.77 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 0.00 56 P 0.00 4.35 0.00 1.52 1.65 0.00 3.52 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 0.00 57 A 8.16 3.80 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 58 L 8.39 4.36 0.00 1.21 1.87 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 F 6.71 5.00 0.00 3.18 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 60 S 8.57 5.36 0.00 2.72 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 61 L 9.26 5.40 0.00 1.28 1.42 0.06 1.48 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 62 A 9.59 5.34 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 63 N 8.28 4.77 0.00 1.44 2.17 0.00 0.00 7.53 7.91 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 64 M 8.67 4.24 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 65 V 7.68 3.78 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 1.05 0.00 0.00 0.99 0.00 0.00 66 K 8.67 3.99 0.00 1.73 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 67 P 0.00 4.53 0.00 2.19 2.10 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 68 G 8.34 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.35 4.73 4.52 0.00 0.00 0.00 0.00 0.00 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 70 F 8.94 5.14 0.00 3.34 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 71 D 8.57 4.73 0.00 2.59 2.31 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 72 P 0.00 4.28 0.00 1.95 1.74 0.00 3.22 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.44 0.00 73 E 7.72 4.47 0.00 1.78 1.88 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 2.18 2.17 0.00 74 M 7.91 4.27 0.00 1.59 1.71 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 75 K 8.29 5.01 0.00 1.94 1.87 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.48 7.81 *76 D 7.96 4.65 0.00 2.67 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 0.00 0.00 0.00 0.00 77 F 8.45 5.34 0.00 3.19 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 78 T 8.28 4.83 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 1.16 0.00 0.00 79 T 8.33 5.02 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 1.29 0.00 0.00 80 P 0.00 4.40 0.00 2.16 2.29 0.00 3.83 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 81 G 6.44 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 0.00 0.00 0.00 0.00 82 V 8.27 5.07 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 0.99 0.00 0.00 0.92 0.00 0.00 83 T 9.22 4.96 4.32 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 1.29 0.00 0.00 84 I 8.78 5.19 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.02 1.10 0.00 0.00 85 F 8.91 5.64 0.00 3.12 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 86 M 9.04 4.96 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.51 0.00 87 Q 8.91 4.68 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 88 V 8.94 4.74 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 0.73 0.00 0.00 0.96 0.00 0.00 89 P 0.00 4.77 0.00 2.02 2.01 0.00 3.68 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 1.93 1.93 0.00 90 S 9.14 4.01 0.00 2.75 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 91 Y 8.51 4.54 0.00 3.04 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 92 G 8.46 4.05 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 0.00 0.00 0.00 93 D 7.60 4.98 0.00 2.77 2.62 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 0.00 0.00 0.00 0.00 94 E 8.45 4.04 0.00 2.09 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 2.37 2.44 0.00 95 L 7.94 4.08 0.00 1.71 1.75 0.91 0.81 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 96 Q 8.07 4.11 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 97 L 8.08 4.20 0.00 1.98 1.96 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.34 4.04 0.00 3.20 3.31 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 99 K 7.87 3.80 0.00 2.05 1.86 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.80 7.81 100 L 7.86 3.93 0.00 1.99 2.05 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 101 M 7.90 2.88 0.00 1.61 0.79 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 102 L 7.62 3.67 0.00 1.16 1.45 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.11 3.79 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 104 S 8.06 4.23 0.00 4.22 4.39 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 0.00 105 A 7.92 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 0.00 106 Q 8.02 3.90 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 107 H 8.45 4.27 0.00 3.34 3.31 0.00 5.68 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 0.00 108 I 7.91 3.62 1.98 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.33 0.82 0.00 0.00 109 A 8.46 4.00 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 0.00 110 D 8.40 4.36 0.00 2.90 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 0.00 111 E 8.11 4.06 0.00 1.95 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 2.35 2.56 0.00 112 V 7.44 4.30 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 0.74 0.00 0.00 1.00 0.00 0.00 113 G 8.57 3.82 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 0.00 0.00 0.00 114 G 8.31 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 0.00 115 V 8.74 4.63 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 0.83 0.00 0.00 0.93 0.00 0.00 116 V 8.29 4.52 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 0.97 0.00 0.00 0.91 0.00 0.00 117 L 8.83 5.28 0.00 1.60 1.52 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.78 4.81 0.00 2.95 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 0.00 119 D 8.45 4.50 0.00 2.93 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 0.00 120 Q 8.58 4.41 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 121 R 7.89 3.90 0.00 1.98 2.02 0.00 3.29 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 122 R 7.69 4.70 0.00 1.97 1.76 0.00 3.16 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 123 M 8.65 4.08 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 124 M 8.25 4.40 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 125 T 8.32 4.71 4.23 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 1.26 0.00 0.00 126 P 0.00 4.30 0.00 2.18 2.15 0.00 3.59 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 2.11 2.15 0.00 127 Q 7.98 3.97 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 128 K 7.90 3.84 0.00 1.82 1.81 0.00 1.23 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.34 0.87 7.81 129 L 7.78 4.23 0.00 2.05 1.91 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.88 4.36 0.00 1.99 1.95 0.00 3.12 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 131 E 7.92 3.93 0.00 1.97 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 2.25 2.29 0.00 132 Y 7.64 4.32 0.00 3.11 2.47 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 0.00 133 Q 7.70 3.70 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 1.88 2.29 0.00 134 D 8.07 4.35 0.00 2.92 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 0.00 135 I 7.70 3.78 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.93 0.94 0.00 0.00 136 I 7.68 3.67 1.92 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 0.87 0.00 0.00 137 R 7.91 3.89 0.00 1.74 1.97 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 138 E 8.26 4.04 0.00 2.16 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 0.00 2.30 2.32 0.00 139 V 7.81 3.95 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 1.01 0.00 0.00 0.96 0.00 0.00 140 K 7.88 4.39 0.00 1.77 1.82 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.68 7.81 141 D 8.03 4.57 0.00 2.79 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 0.00 0.00 0.00 0.00 142 A 7.40 3.81 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 0.00 143 N 7.65 4.53 0.00 2.78 2.80 0.00 0.00 6.94 7.44 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 * Residues marked with a * may have inaccurate shift predictions.