NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4188 8.1844 120.6393 54.8983 43.1156 175.2793 8 H 4.8355 8.5926 119.8534 53.9933 32.2834 171.6237 9 K 4.6076 9.2958 125.9664 56.0984 33.9559 175.5208 10 E 4.8287 8.7836 120.8364 54.0635 34.1036 173.6602 11 P 4.9520 0.0000 0.0000 63.1477 32.3803 175.0615 12 A 4.8172 8.2158 121.7764 51.7103 23.0007 175.8255 13 T 4.6360 8.5041 115.2096 61.4052 72.3872 173.7168 14 L 4.2566 8.6745 128.3138 55.7303 42.3536 175.5331 15 I 4.3426 8.5552 126.7730 62.2134 38.6293 176.2640 16 K 4.2905 7.6459 118.7304 55.2559 34.9613 174.3299 17 A 4.3411 8.6054 129.7157 51.9078 19.4553 176.4851 18 I 4.1691 8.4240 124.3802 62.7199 38.0384 175.3566 19 D 4.6975 7.4238 116.7828 52.1700 41.8648 175.2944 20 G 3.6450 8.9234 107.2102 48.2351 0.0000 173.7919 21 D 4.9324 8.1375 115.7347 52.7558 40.6147 175.0313 22 T 5.5192 7.9674 115.3526 60.7271 72.6155 172.5574 *24 K 4.6322 8.3215 123.6587 56.5971 33.6020 174.4865 25 L 5.2785 9.5855 126.7423 53.1506 46.4357 175.1206 26 M 4.9650 9.2357 121.6490 54.5558 33.8682 174.1320 27 Y 4.9183 9.1779 128.0789 55.8628 41.9463 175.6374 28 K 3.7238 8.8571 126.9032 58.0704 29.4267 175.6612 29 G 3.9927 8.2256 102.0436 46.1024 0.0000 172.6985 30 Q 4.8492 7.7467 120.6042 53.0540 31.8116 173.0552 31 P 5.0496 0.0000 0.0000 63.4091 32.3617 175.4119 32 M 5.0374 9.4843 121.7984 54.3514 37.2131 173.6164 33 T 4.8380 8.5406 112.1885 60.6543 71.3619 173.5599 34 F 5.2961 8.9080 122.7093 55.6549 43.0633 173.9852 35 R 5.1098 9.3291 121.2033 54.2670 33.1439 174.6149 36 L 4.3561 8.4788 126.6646 54.9744 42.2146 177.1171 37 L 4.0638 8.7001 123.3078 55.0069 43.0567 177.2032 38 L 4.2718 8.6581 119.0128 54.6498 39.4780 174.0965 39 V 4.9102 7.3421 109.6774 60.1602 36.4509 174.8256 40 D 4.7143 8.8857 121.9755 53.5528 43.8512 174.4625 41 T 4.7811 8.5305 117.0649 59.6877 70.4150 173.2899 42 P 4.4960 0.0000 0.0000 62.5296 32.2720 175.9155 43 E 4.1924 8.9496 121.4970 56.6669 30.0704 177.3904 44 T 4.6011 8.2759 111.2690 60.7056 69.7810 173.5060 45 K 4.2008 7.9229 120.0881 56.9423 34.6103 175.1552 46 H 3.8673 8.2879 118.0701 56.2752 30.2854 174.2020 47 P 4.2038 0.0000 0.0000 65.7204 31.7759 177.6924 48 K 4.4452 7.8609 116.9967 54.6755 31.4043 175.4705 49 K 4.1320 8.0631 123.6295 56.0580 38.2824 177.2241 50 G 3.7478 8.3233 106.4485 44.6219 0.0000 173.3071 51 V 4.1865 7.8751 118.7333 61.6456 30.9186 175.6488 52 E 4.2551 8.9275 127.2696 55.2960 30.8491 176.4041 53 K 3.9366 8.3598 123.6039 58.1516 32.8527 176.8459 54 Y 4.3990 8.0572 121.6495 59.3792 36.2831 171.6110 55 G 3.5438 8.0203 107.4184 47.5819 0.0000 174.3592 56 P 4.3504 0.0000 0.0000 64.7183 31.4184 178.8040 57 E 3.9833 8.1465 116.9892 59.4719 29.6183 178.8300 58 A 4.0685 8.4996 121.1750 55.3859 17.8773 179.8780 59 S 4.1730 8.2921 113.3833 61.7750 62.8655 176.8222 60 A 4.1046 8.0226 123.0544 54.7838 18.1319 179.4604 61 F 4.0113 8.5815 119.4802 61.8003 39.2210 177.4787 62 T 3.9003 8.1142 115.2916 66.5041 68.2768 176.3940 63 K 3.9247 8.3160 121.7820 59.4373 32.1686 178.5643 64 K 3.8347 8.1236 119.7919 59.6404 31.8863 178.3279 65 M 3.8370 7.5514 116.9268 58.8961 31.9690 178.3445 66 V 3.7914 7.9426 112.5176 64.1484 31.5554 178.3641 67 E 4.1504 8.2614 117.4578 58.3012 29.3787 177.8398 68 N 4.7230 7.5614 113.9417 52.0049 39.2825 174.7065 69 A 4.5983 6.9398 123.0295 51.4858 19.6936 178.4345 70 K 4.2382 8.6656 120.6832 58.2462 32.8545 178.0392 71 K 4.7427 8.5732 117.2723 54.5355 36.6282 175.7334 72 I 5.1049 8.3750 123.8989 59.6007 40.7444 174.2520 73 E 5.1538 9.1903 125.0748 54.6437 33.9570 174.9177 74 V 4.6122 8.8952 116.3489 59.4839 34.7743 174.5409 75 E 4.8906 9.0595 125.6420 54.3850 31.9215 175.0121 76 F 4.6657 8.7983 125.7598 57.5144 40.1528 175.9932 77 D 4.9697 8.5002 121.0259 53.5132 43.1841 175.9096 78 K 4.4200 8.9540 117.4481 57.6075 33.8998 177.7691 79 G 4.2496 8.2859 111.0262 45.0809 0.0000 173.6046 80 Q 4.1064 8.5882 121.8666 56.4053 29.3910 176.7376 81 R 4.4419 8.3832 118.1542 56.7379 30.9741 176.1227 82 T 5.5774 7.6288 106.5267 58.6827 71.9179 173.2268 83 D 4.7284 8.1818 122.9107 51.4835 41.5830 177.0582 84 K 3.7084 8.3043 117.3988 59.8376 32.2481 177.0872 85 Y 4.3268 7.9163 115.2482 57.5769 37.8791 175.8661 86 G 3.8825 8.2430 107.7417 45.9846 0.0000 173.8962 87 R 4.3767 8.3259 119.3671 54.8710 31.6596 176.4655 88 G 3.1274 8.4806 111.3320 46.0159 0.0000 172.4388 89 L 5.2549 9.1300 124.3939 53.1344 43.4404 175.5078 90 A 4.4974 8.4730 124.9393 51.1772 23.7213 173.6707 91 Y 4.7703 8.8493 116.9728 56.7553 39.9916 175.4666 92 I 4.8824 8.4444 124.6723 59.6331 40.4180 174.0796 93 Y 5.1010 9.1472 124.1637 56.0761 40.9104 174.5094 94 A 4.9369 9.2028 126.3129 50.1975 21.2279 176.3337 95 D 4.3430 9.9484 124.9217 56.0267 39.0530 175.5780 96 G 3.9569 8.4670 104.9712 45.4203 0.0000 173.7295 97 K 4.4541 8.0469 120.8276 54.7505 33.4453 175.5105 98 M 3.9841 8.5304 123.8630 55.1240 33.0212 176.8295 99 V 3.6234 8.7996 127.3849 66.0668 31.6165 177.6353 100 N 4.3121 8.0414 115.7881 56.3597 38.4775 176.8365 101 E 3.9210 8.0967 119.8030 59.1609 29.9410 178.1689 102 A 4.0716 7.9576 120.8800 55.4855 18.3622 179.6394 103 L 3.6935 7.9801 117.2209 57.7451 41.6096 180.0154 104 V 3.7206 7.5262 118.2405 66.1336 31.3396 177.9900 105 R 3.8671 8.2916 117.3282 59.3978 29.9563 177.5816 106 Q 4.2272 7.7811 114.8826 55.2842 29.1579 176.0992 107 G 3.8934 8.1804 108.9168 46.8536 0.0000 174.6854 108 L 4.4159 7.8213 116.9565 53.7482 42.3446 176.2049 109 A 4.6230 7.4475 118.3865 51.0966 22.0274 176.1344 110 K 4.8807 8.4145 118.9193 54.2761 35.7587 176.0887 111 V 4.1792 9.1467 123.6252 63.1762 31.8318 175.0045 112 A 4.4064 8.2161 128.9747 49.8190 23.2767 174.4605 113 Y 3.2806 7.2346 113.6185 59.1554 34.9437 173.9258 114 V 3.8222 6.9273 118.2717 61.6699 30.9418 172.3913 115 Y 4.7799 7.7026 121.4861 55.5255 38.7513 175.9921 116 K 4.5715 8.6039 124.8808 55.9605 32.7941 175.0200 117 P 4.7105 0.0000 0.0000 63.2805 31.8915 177.0437 118 N 4.9816 7.9988 118.0048 52.3781 37.2308 175.4017 119 N 5.1828 7.6008 111.2818 52.6300 38.5172 177.5619 120 T 3.8360 8.7116 118.6921 67.9044 68.9081 174.9972 121 H 4.8066 8.0398 116.1633 55.7227 29.1300 176.3168 122 E 3.9772 8.4169 122.7914 59.8376 29.3071 179.1046 123 Q 3.9689 8.0625 117.1533 59.1478 28.8436 177.9710 124 H 4.0992 8.2885 118.6842 59.4722 29.7907 176.9849 125 L 3.9474 7.8390 120.2244 57.9746 41.4299 179.8291 126 R 3.9103 8.2659 118.3470 58.8418 30.0626 179.2361 127 K 3.9108 8.1222 118.8142 60.2288 32.5591 179.5362 128 S 4.0813 7.8994 116.5541 61.0357 62.6887 176.3131 129 E 3.9364 8.3604 122.1614 59.0943 29.3853 178.6905 130 A 3.7381 8.0453 121.0025 54.9678 18.3594 179.4408 131 Q 3.8124 7.9082 117.5709 59.2353 29.0552 178.2805 132 A 4.0192 7.7672 121.4448 54.8136 18.2882 179.8502 133 K 3.4417 7.6696 117.2870 59.3480 31.8750 179.8009 134 K 3.8997 7.6267 117.4560 59.5811 32.5139 178.0238 135 E 4.2168 7.8558 117.0683 55.2244 30.2069 176.0836 136 K 4.1948 7.8618 117.3120 56.1496 30.4695 175.5006 137 L 4.2715 8.4131 118.4615 55.7608 44.5071 178.6553 138 N 3.3841 9.3406 117.8976 53.9790 38.4839 176.3215 139 I 3.2353 4.0000 129.1990 64.4222 37.9391 176.7027 140 W 4.9548 8.3421 119.4338 56.2223 29.0552 176.6076 141 S 4.3777 8.2353 120.1862 58.4740 62.4764 173.7313 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 L 8.18 4.42 0.00 1.88 1.81 1.06 0.87 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 8 H 8.59 4.84 0.00 3.23 3.22 0.00 5.72 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 9 K 9.30 4.61 0.00 1.52 1.58 0.00 1.66 0.00 0.00 0.90 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.23 7.81 10 E 8.78 4.83 0.00 2.13 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 0.00 2.41 2.43 0.00 11 P 0.00 4.95 0.00 1.95 1.99 0.00 3.76 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 2.04 2.10 0.00 12 A 8.22 4.82 1.21 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 13 T 8.50 4.64 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 1.22 0.00 0.00 14 L 8.67 4.26 0.00 1.64 1.57 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.56 4.34 1.99 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 1.14 0.78 0.94 0.00 0.00 16 K 7.65 4.29 0.00 1.68 1.65 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.42 7.81 17 A 8.61 4.34 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 18 I 8.42 4.17 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.91 0.00 0.00 19 D 7.42 4.70 0.00 2.80 2.76 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 20 G 8.92 3.64 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 0.00 0.00 0.00 21 D 8.14 4.93 0.00 2.84 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 22 T 7.97 5.52 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 1.28 0.00 0.00 *24 K 8.32 4.63 0.00 1.95 1.78 0.00 1.58 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.76 7.81 25 L 9.59 5.28 0.00 1.61 1.48 0.33 0.69 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 26 M 9.24 4.97 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 27 Y 9.18 4.92 0.00 3.22 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 28 K 8.86 3.72 0.00 1.69 1.67 0.00 1.80 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.53 7.81 29 G 8.23 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 0.00 0.00 0.00 30 Q 7.75 4.85 0.00 2.44 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 31 P 0.00 5.05 0.00 2.17 2.09 0.00 3.87 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 2.03 0.00 32 M 9.48 5.04 0.00 1.91 2.26 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 33 T 8.54 4.84 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 1.23 0.00 0.00 34 F 8.91 5.30 0.00 2.94 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 35 R 9.33 5.11 0.00 1.84 1.72 0.00 3.33 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 36 L 8.48 4.36 0.00 1.62 1.60 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.70 4.06 0.00 0.93 1.27 0.29 0.56 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 38 L 8.66 4.27 0.00 1.99 1.80 1.17 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.34 4.91 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 0.78 0.00 0.00 1.02 0.00 0.00 40 D 8.89 4.71 0.00 2.88 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 41 T 8.53 4.78 4.25 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 1.21 0.00 0.00 42 P 0.00 4.50 0.00 2.21 2.10 0.00 3.88 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 43 E 8.95 4.19 0.00 2.09 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 2.32 2.44 0.00 44 T 8.28 4.60 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 45 K 7.92 4.20 0.00 1.86 1.73 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.37 7.81 46 H 8.29 3.87 0.00 3.13 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.20 0.00 2.04 2.09 0.00 3.48 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 1.97 2.08 0.00 48 K 7.86 4.45 0.00 1.88 1.85 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 49 K 8.06 4.13 0.00 1.84 1.78 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.23 7.81 50 G 8.32 3.75 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 0.00 0.00 0.00 51 V 7.88 4.19 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 0.80 0.00 0.00 0.98 0.00 0.00 52 E 8.93 4.26 0.00 1.97 1.83 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 2.31 2.39 0.00 53 K 8.36 3.94 0.00 1.62 1.45 0.00 0.61 0.00 0.00 0.85 0.00 0.00 2.61 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.17 1.14 7.81 54 Y 8.06 4.40 0.00 3.21 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 55 G 8.02 3.54 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 0.00 0.00 0.00 56 P 0.00 4.35 0.00 2.16 2.11 0.00 3.56 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 57 E 8.15 3.98 0.00 2.37 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 0.00 2.54 2.50 0.00 58 A 8.50 4.07 1.41 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 59 S 8.29 4.17 0.00 4.09 3.95 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 60 A 8.02 4.10 1.44 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 0.00 0.00 0.00 61 F 8.58 4.01 0.00 3.24 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 62 T 8.11 3.90 4.49 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 1.24 0.00 0.00 63 K 8.32 3.92 0.00 1.98 1.95 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.46 7.81 64 K 8.12 3.83 0.00 2.04 1.62 0.00 1.56 0.00 0.00 1.55 0.00 0.00 3.22 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 65 M 7.55 3.84 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 66 V 7.94 3.79 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 0.87 0.00 0.00 1.00 0.00 0.00 67 E 8.26 4.15 0.00 2.04 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 0.00 2.33 2.42 0.00 68 N 7.56 4.72 0.00 2.72 2.80 0.00 0.00 6.92 8.40 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 69 A 6.94 4.60 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.67 4.24 0.00 1.85 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.39 7.81 71 K 8.57 4.74 0.00 1.66 1.63 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.38 5.10 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 0.85 0.00 0.00 73 E 9.19 5.15 0.00 1.90 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 2.19 2.25 0.00 74 V 8.90 4.61 1.41 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 0.06 0.00 0.00 0.70 0.00 0.00 75 E 9.06 4.89 0.00 2.21 2.32 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 2.50 2.55 0.00 76 F 8.80 4.67 0.00 3.09 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 77 D 8.50 4.97 0.00 2.73 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 78 K 8.95 4.42 0.00 1.90 1.97 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.43 7.81 79 G 8.29 4.25 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 80 Q 8.59 4.11 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 81 R 8.38 4.44 0.00 1.61 1.45 0.00 3.11 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.57 0.00 82 T 7.63 5.58 4.16 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 1.09 0.00 0.00 83 D 8.18 4.73 0.00 2.90 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 84 K 8.30 3.71 0.00 1.53 1.75 0.00 1.15 0.00 0.00 1.46 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.01 0.21 7.81 85 Y 7.92 4.33 0.00 3.12 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 86 G 8.24 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 0.00 0.00 0.00 87 R 8.33 4.38 0.00 2.10 1.81 0.00 3.11 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 88 G 8.48 3.13 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 0.00 89 L 9.13 5.25 0.00 1.62 1.62 0.95 0.91 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 90 A 8.47 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.85 4.77 0.00 3.03 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 92 I 8.44 4.88 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.64 0.82 0.00 0.00 93 Y 9.15 5.10 0.00 2.88 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 94 A 9.20 4.94 1.19 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 95 D 9.95 4.34 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.47 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 97 K 8.05 4.45 0.00 2.06 1.77 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.44 7.81 98 M 8.53 3.98 0.00 1.91 1.62 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.39 0.00 99 V 8.80 3.62 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 1.02 0.00 0.00 0.95 0.00 0.00 100 N 8.04 4.31 0.00 2.91 2.93 0.00 0.00 7.01 8.06 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 0.00 101 E 8.10 3.92 0.00 2.01 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 2.33 2.39 0.00 102 A 7.96 4.07 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.98 3.69 0.00 1.89 1.68 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.53 3.72 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 1.15 0.00 0.00 1.01 0.00 0.00 105 R 8.29 3.87 0.00 1.99 2.11 0.00 3.33 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.78 4.23 0.00 1.60 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.38 0.00 0.00 0.00 0.00 0.00 2.36 1.81 0.00 107 G 8.18 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 0.00 0.00 0.00 108 L 7.82 4.42 0.00 1.31 1.52 0.43 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.45 4.62 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 0.00 110 K 8.41 4.88 0.00 1.76 1.92 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.17 1.13 7.81 111 V 9.15 4.18 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 0.76 0.00 0.00 0.96 0.00 0.00 112 A 8.22 4.41 0.82 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 0.00 113 Y 7.23 3.28 0.00 3.03 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 0.00 114 V 6.93 3.82 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 0.85 0.00 0.00 0.89 0.00 0.00 115 Y 7.70 4.78 0.00 3.11 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 0.00 116 K 8.60 4.57 0.00 1.80 1.80 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.42 7.81 117 P 0.00 4.71 0.00 2.22 2.17 0.00 3.80 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 2.01 2.01 0.00 118 N 8.00 4.98 0.00 3.02 2.90 0.00 0.00 6.94 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.60 5.18 0.00 2.87 3.01 0.00 0.00 6.14 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 0.00 120 T 8.71 3.84 4.27 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 1.08 0.00 0.00 121 H 8.04 4.81 0.00 2.89 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.42 3.98 0.00 2.16 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 2.34 2.40 0.00 123 Q 8.06 3.97 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 124 H 8.29 4.10 0.00 3.23 3.49 0.00 5.87 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 0.00 125 L 7.84 3.95 0.00 2.11 1.73 0.96 0.87 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 0.00 126 R 8.27 3.91 0.00 1.96 1.94 0.00 3.12 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 127 K 8.12 3.91 0.00 1.95 2.18 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.41 7.81 128 S 7.90 4.08 0.00 3.97 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 0.00 129 E 8.36 3.94 0.00 2.13 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 2.08 2.52 0.00 130 A 8.05 3.74 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 0.00 131 Q 7.91 3.81 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 132 A 7.77 4.02 1.50 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 0.00 133 K 7.67 3.44 0.00 1.47 1.39 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.40 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.63 3.90 0.00 1.86 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.45 7.81 135 E 7.86 4.22 0.00 2.03 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 2.30 2.42 0.00 136 K 7.86 4.19 0.00 1.89 1.91 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.51 7.81 137 L 8.41 4.27 0.00 1.76 1.70 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.34 3.38 0.00 2.51 1.42 0.00 0.00 6.93 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 0.00 139 I 4.00 3.24 1.05 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.12 -0.20 0.00 0.00 140 W 8.34 4.95 0.00 3.53 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 0.00 141 S 8.24 4.38 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.