NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2845 8.3149 121.7945 56.0058 33.3883 175.4262 7 L 4.2617 8.3456 125.0746 53.9245 42.7426 174.3269 8 H 5.0575 9.4067 121.4247 54.4055 34.1249 172.0261 9 K 4.7482 8.4144 124.1128 55.6056 33.4620 175.8914 10 E 4.9376 9.3232 123.4227 53.6643 33.3071 173.8574 11 P 5.0308 0.0000 0.0000 63.1881 32.3829 174.9306 12 A 5.0053 8.4492 121.6521 51.1346 23.1187 175.4321 13 T 4.6265 8.4597 114.5607 61.3342 72.1063 173.9560 14 L 4.1428 8.7562 128.5016 55.8967 42.3810 175.0996 15 I 4.4210 8.6107 125.3607 62.0276 39.0623 175.6371 16 K 4.5961 7.6712 120.8790 55.1464 35.8201 173.5338 17 A 4.3338 8.5613 129.2230 51.3346 19.2231 176.3965 18 I 4.0208 8.4945 126.2950 62.2373 38.4244 178.8471 19 D 4.6975 7.4083 126.4122 52.4188 41.5811 175.5999 20 G 3.7974 9.1024 105.9555 48.3290 0.0000 173.7176 21 D 4.9742 8.0719 116.9974 52.8694 41.2251 175.5787 22 T 5.2134 7.7468 116.4359 62.2431 72.4526 173.0938 23 V 4.6552 8.9167 125.4804 60.9159 35.7400 173.7887 24 K 5.0281 9.3456 128.4321 55.0319 33.7651 175.0585 25 L 5.3719 9.4572 126.9019 53.1842 46.8242 175.3162 26 M 4.8443 9.0036 121.8910 54.7737 33.2533 174.2514 27 Y 4.9626 8.9598 128.2744 55.8706 41.9018 175.6479 28 K 3.3367 9.3122 127.3136 57.6458 29.5772 175.8506 29 G 3.9190 9.2785 101.7798 45.8523 0.0000 173.3764 30 Q 4.7605 7.7266 119.1603 53.6095 32.8356 172.0200 31 P 5.0199 0.0000 0.0000 63.5550 32.4723 175.1607 32 M 4.7915 9.2960 120.7534 54.8892 36.3733 173.1918 33 T 4.9934 8.3886 121.4561 62.4525 70.7839 173.5292 34 F 5.1013 9.6771 124.9430 55.5848 42.2030 174.2193 35 R 4.9651 9.0119 123.3539 54.2483 32.1256 175.1375 36 L 4.3793 8.8632 127.7250 54.6648 41.7636 177.2911 37 L 3.8807 8.6648 124.5304 55.2996 43.0109 177.3674 38 L 4.2528 8.7103 119.8588 55.5735 39.5251 174.0868 39 V 4.9475 7.2622 109.7192 59.7189 35.6561 175.4627 40 D 4.8402 9.0660 123.6505 52.8217 43.1359 175.4232 41 T 4.5998 8.2618 113.5659 59.7353 71.1874 172.8570 42 P 4.4332 0.0000 0.0000 62.3103 32.8420 175.4707 43 E 4.3834 9.3902 126.2744 56.1297 30.9848 175.9542 44 T 4.2215 8.3919 117.2825 61.3775 69.2291 174.2871 *51 V 3.6754 8.1715 126.6365 62.8209 32.3118 174.6206 52 E 4.5042 9.2403 128.2249 54.5978 31.8132 175.9020 53 K 3.8531 8.3204 122.8818 58.3471 32.4686 176.7743 54 Y 4.0595 8.0675 122.9072 59.2249 36.4069 171.3283 55 G 3.9709 8.2337 107.7516 47.4664 0.0000 174.1854 56 P 4.3252 0.0000 0.0000 65.0906 30.8507 178.6323 57 E 4.0708 8.1829 116.9540 59.2045 29.5357 178.9875 58 A 4.0176 8.2560 120.9760 55.0452 18.3584 179.8349 59 S 4.1483 8.2380 113.4608 61.7967 62.9109 176.7595 60 A 3.9979 8.0411 123.3592 55.0897 18.1358 179.4197 61 F 4.0229 8.3288 119.0772 61.7987 39.6176 177.4800 62 T 3.9307 8.2465 115.3186 66.4345 68.1874 176.4263 63 K 3.9616 8.2594 121.6769 59.4647 32.3304 178.5609 64 K 3.8094 8.2744 120.1221 59.7518 31.8665 178.2859 65 M 3.8297 7.6119 117.0570 58.6648 32.1803 178.1607 66 V 3.8644 7.8380 111.8766 63.5135 31.6652 178.4002 67 E 3.9153 8.1997 118.3090 59.0235 29.5092 178.0472 68 N 4.5520 7.8454 113.2146 52.9620 39.2746 175.3758 69 A 4.8851 6.7633 123.3568 51.3383 19.2534 177.8973 70 K 4.2462 8.9904 120.4793 57.9197 33.0884 177.7252 71 K 4.6853 8.6033 117.8694 54.5206 36.1659 175.6236 72 I 5.0224 8.4081 124.7713 59.6436 40.2278 174.4160 73 E 5.1709 9.2943 124.6830 54.7421 34.1067 174.9260 74 V 4.7297 9.0918 116.0676 59.5555 35.3561 174.7318 75 E 5.1807 8.6220 123.9726 53.5763 32.3954 174.7225 76 F 4.6228 9.1308 125.9101 57.5020 40.2312 175.4550 77 D 4.9765 8.5989 121.2870 52.9475 43.0687 175.9016 78 K 4.2949 9.0614 118.1733 58.4231 33.5847 178.0392 79 G 4.2650 7.8468 111.9759 44.3157 0.0000 173.1702 80 Q 4.0958 8.6026 121.3162 56.4526 29.2902 176.5981 81 R 4.5688 8.6464 120.6712 57.1780 30.8691 176.0278 82 T 5.0840 7.5459 106.9629 60.0196 71.8497 173.0298 83 D 4.8788 8.5096 123.3499 51.4330 41.5725 177.2768 84 K 3.7659 8.4411 117.3716 59.8487 32.3021 177.1295 85 Y 4.3047 7.9924 114.9991 57.6680 38.0011 175.9621 86 G 3.8967 8.3210 108.2006 45.7132 0.0000 173.6029 87 R 4.3761 8.6155 119.8574 54.6864 31.6775 176.6195 88 G 3.6591 8.5015 111.4661 46.2411 0.0000 172.5228 89 L 5.3125 8.8170 122.7302 53.0472 43.4968 175.5338 90 A 4.4107 8.3033 124.6147 50.9884 23.7520 173.6729 91 Y 4.7243 8.6056 116.6883 56.8313 39.9061 175.3913 92 I 4.7787 8.6806 125.0946 59.7599 39.8372 174.1487 93 Y 5.0579 9.1613 124.2434 56.0323 41.0409 174.5699 94 A 4.8376 9.0020 125.9559 50.0649 21.6189 176.2218 95 D 4.3057 10.0572 125.3516 56.1103 39.0552 176.3082 96 G 4.0409 8.4056 106.4071 45.3632 0.0000 173.7916 97 K 4.3905 7.9727 120.4966 55.1517 33.2194 175.6131 98 M 3.9892 8.5422 123.7368 55.0750 33.0157 176.9225 99 V 3.6098 8.5491 127.4376 65.9818 31.6222 177.5538 100 N 4.2831 8.0420 115.8281 56.5075 38.4908 176.7973 101 E 3.9155 8.0804 119.6938 59.1029 29.8020 178.2507 102 A 4.0879 8.1904 120.9429 55.3210 18.4306 179.6254 103 L 3.4225 8.1699 117.3723 57.7498 41.7253 179.9704 104 V 3.7052 7.4631 118.2511 66.1186 31.3045 178.0512 105 R 3.9358 8.3314 117.4201 59.0667 29.9601 177.2601 106 Q 4.2662 7.6303 116.3820 55.3807 29.3325 175.7267 107 G 3.8652 7.9701 106.9001 47.3922 0.0000 174.5842 108 L 4.4704 7.4355 116.4476 53.6147 42.2204 175.8770 109 A 4.4293 7.2145 118.5729 51.3914 21.9203 176.0314 110 K 4.7409 8.1357 118.1577 54.3190 35.7648 176.0866 111 V 4.2232 8.5570 123.0184 62.8935 31.7619 176.0078 112 A 4.3922 8.7913 130.5402 51.0493 19.7141 176.6484 113 Y 4.1989 8.1670 116.8219 57.6151 38.6052 176.8976 114 V 3.7759 8.4857 122.8209 63.4671 32.3646 174.6560 115 Y 4.6397 8.3844 125.6602 56.7342 40.8782 175.5443 116 K 3.3468 9.3642 127.5379 57.4185 29.8683 176.3326 117 G 4.0130 8.4483 103.3711 45.8176 0.0000 174.7225 118 N 4.8898 7.8372 118.8090 51.6922 37.3011 174.2138 119 N 5.1390 8.1682 115.1416 52.1863 39.3369 176.8292 120 T 3.8342 8.3601 117.2195 67.4918 68.7061 174.6978 121 H 4.8488 8.0770 115.8470 55.7152 29.1478 176.6399 122 E 4.0116 8.4550 123.6881 59.5561 29.3426 179.0047 123 Q 3.9778 8.0370 117.5194 58.7856 28.9970 178.0898 124 L 3.9340 7.9583 120.8137 58.4858 42.1098 179.0408 125 L 4.0806 7.9992 118.6003 57.7116 41.5118 179.7550 126 R 3.9631 8.1316 118.3420 58.9283 29.9475 179.2078 127 K 3.9017 8.1011 118.2993 59.7044 32.0540 179.5324 128 S 4.1234 7.8742 114.8784 61.6315 62.7376 176.4844 129 E 3.9390 8.2969 121.7959 59.0021 29.2825 178.7502 130 A 3.7289 7.8396 120.8334 55.0627 18.5009 179.3645 131 Q 3.7898 7.9904 117.8123 59.3701 29.1023 178.3560 132 A 4.0209 8.1577 121.9321 54.9672 18.3731 179.5757 133 K 3.2313 7.7154 118.2692 59.1823 31.9052 179.0806 134 K 3.9331 7.9780 119.3911 58.8107 32.1019 177.6003 135 E 4.3863 7.8736 116.4949 54.6627 29.9500 175.9566 136 K 4.3791 7.7431 116.7447 56.0070 30.7417 175.2307 137 L 4.2246 8.2805 118.1056 55.8051 44.1616 178.6315 138 N 3.4738 9.4553 118.4821 54.1563 38.3129 176.2739 139 I 3.1286 5.4200 127.6515 64.3386 38.0671 176.8249 140 W 4.9333 8.2944 119.2237 56.4083 29.0986 176.5823 141 S 4.4929 8.1348 120.0446 58.5414 62.6919 173.9099 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 6 K 8.31 4.28 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 7 L 8.35 4.26 0.00 1.92 1.71 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.41 5.06 0.00 3.19 3.19 0.00 5.66 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 9 K 8.41 4.75 0.00 1.51 1.59 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.22 7.81 10 E 9.32 4.94 0.00 2.15 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 2.42 2.39 0.00 11 P 0.00 5.03 0.00 2.10 2.07 0.00 3.80 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 2.02 2.00 0.00 12 A 8.45 5.01 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 13 T 8.46 4.63 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 1.23 0.00 0.00 14 L 8.76 4.14 0.00 1.63 1.57 0.92 1.06 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 15 I 8.61 4.42 2.01 0.00 0.00 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 1.15 0.82 0.94 0.00 0.00 16 K 7.67 4.60 0.00 1.80 1.61 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.45 7.81 17 A 8.56 4.33 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 18 I 8.49 4.02 2.05 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 1.35 0.46 0.90 0.00 0.00 19 D 7.41 4.70 0.00 2.71 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 20 G 9.10 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 21 D 8.07 4.97 0.00 2.75 2.83 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 T 7.75 5.21 4.37 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 1.23 0.00 0.00 23 V 8.92 4.66 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 0.94 0.00 0.00 0.93 0.00 0.00 24 K 9.35 5.03 0.00 1.94 1.79 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.58 7.81 25 L 9.46 5.37 0.00 1.70 1.53 0.36 0.62 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 26 M 9.00 4.84 0.00 2.19 2.01 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 2.59 2.56 0.00 27 Y 8.96 4.96 0.00 3.31 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 28 K 9.31 3.34 0.00 1.54 1.67 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.01 0.28 7.81 29 G 9.28 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 0.00 0.00 0.00 30 Q 7.73 4.76 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 31 P 0.00 5.02 0.00 2.17 2.09 0.00 3.88 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 9.30 4.79 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 33 T 8.39 4.99 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 1.21 0.00 0.00 34 F 9.68 5.10 0.00 2.89 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 35 R 9.01 4.97 0.00 1.82 1.84 0.00 3.32 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 36 L 8.86 4.38 0.00 1.47 1.56 0.90 1.03 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 37 L 8.66 3.88 0.00 0.86 1.22 0.30 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.71 4.25 0.00 1.96 1.79 1.17 1.01 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 39 V 7.26 4.95 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 0.75 0.00 0.00 0.91 0.00 0.00 40 D 9.07 4.84 0.00 2.48 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 41 T 8.26 4.60 4.20 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 1.21 0.00 0.00 42 P 0.00 4.43 0.00 2.12 2.08 0.00 3.56 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 2.12 2.01 0.00 43 E 9.39 4.38 0.00 2.33 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 2.27 2.27 0.00 44 T 8.39 4.22 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 1.24 0.00 0.00 *51 V 8.17 3.68 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 0.76 0.00 0.00 0.88 0.00 0.00 52 E 9.24 4.50 0.00 1.95 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 2.25 2.41 0.00 53 K 8.32 3.85 0.00 1.63 1.68 0.00 1.42 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.31 0.90 7.81 54 Y 8.07 4.06 0.00 3.21 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 55 G 8.23 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.33 0.00 2.16 2.10 0.00 3.51 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 57 E 8.18 4.07 0.00 2.38 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 2.55 2.51 0.00 58 A 8.26 4.02 1.40 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 0.00 0.00 59 S 8.24 4.15 0.00 4.06 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 60 A 8.04 4.00 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 8.33 4.02 0.00 3.19 3.18 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 62 T 8.25 3.93 4.42 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 1.28 0.00 0.00 63 K 8.26 3.96 0.00 1.87 2.02 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.50 1.56 7.81 64 K 8.27 3.81 0.00 1.81 1.94 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.38 7.81 65 M 7.61 3.83 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 66 V 7.84 3.86 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 0.82 0.00 0.00 1.01 0.00 0.00 67 E 8.20 3.92 0.00 1.95 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 2.33 2.52 0.00 68 N 7.85 4.55 0.00 2.74 2.82 0.00 0.00 7.03 7.17 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 69 A 6.76 4.89 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 70 K 8.99 4.25 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.44 7.81 71 K 8.60 4.69 0.00 1.66 1.65 0.00 1.61 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 1.38 7.81 72 I 8.41 5.02 2.04 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 1.46 0.89 0.00 0.00 73 E 9.29 5.17 0.00 1.91 1.76 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 2.20 2.27 0.00 74 V 9.09 4.73 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 0.04 0.00 0.00 0.70 0.00 0.00 75 E 8.62 5.18 0.00 2.23 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 0.00 2.46 2.42 0.00 76 F 9.13 4.62 0.00 3.07 3.01 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 77 D 8.60 4.98 0.00 2.76 3.06 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 78 K 9.06 4.29 0.00 1.90 1.98 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.52 7.81 79 G 7.85 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 0.00 0.00 0.00 0.00 80 Q 8.60 4.10 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 81 R 8.65 4.57 0.00 1.73 1.84 0.00 3.24 0.00 0.00 3.57 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.24 0.00 82 T 7.55 5.08 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 83 D 8.51 4.88 0.00 2.85 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 84 K 8.44 3.77 0.00 1.52 1.84 0.00 1.40 0.00 0.00 1.25 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.22 0.49 7.81 85 Y 7.99 4.30 0.00 3.12 3.01 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 86 G 8.32 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 0.00 0.00 0.00 87 R 8.62 4.38 0.00 2.00 1.78 0.00 3.09 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 88 G 8.50 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 89 L 8.82 5.31 0.00 1.62 1.62 1.12 0.50 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 90 A 8.30 4.41 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.72 0.00 3.03 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 92 I 8.68 4.78 1.75 0.00 0.00 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 1.08 0.93 0.80 0.00 0.00 93 Y 9.16 5.06 0.00 2.87 2.83 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 94 A 9.00 4.84 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 95 D 10.06 4.31 0.00 2.80 2.71 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 96 G 8.41 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 0.00 0.00 0.00 97 K 7.97 4.39 0.00 1.93 1.76 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.38 7.81 98 M 8.54 3.99 0.00 1.89 1.60 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.36 0.00 99 V 8.55 3.61 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 1.02 0.00 0.00 0.90 0.00 0.00 100 N 8.04 4.28 0.00 2.90 2.92 0.00 0.00 6.78 7.66 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 0.00 101 E 8.08 3.92 0.00 1.95 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 2.37 2.29 0.00 102 A 8.19 4.09 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 0.00 103 L 8.17 3.42 0.00 1.83 1.60 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.46 3.71 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 1.07 0.00 0.00 1.00 0.00 0.00 105 R 8.33 3.94 0.00 2.03 2.09 0.00 3.35 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 106 Q 7.63 4.27 0.00 1.99 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.25 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 107 G 7.97 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 0.00 0.00 0.00 108 L 7.44 4.47 0.00 1.26 1.45 0.41 0.37 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 0.00 109 A 7.21 4.43 1.09 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 0.00 0.00 110 K 8.14 4.74 0.00 1.67 1.72 0.00 1.36 0.00 0.00 1.44 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.15 1.09 7.81 111 V 8.56 4.22 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 0.72 0.00 0.00 1.01 0.00 0.00 112 A 8.79 4.39 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 0.00 113 Y 8.17 4.20 0.00 3.05 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 0.00 114 V 8.49 3.78 2.17 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 0.86 0.00 0.00 1.04 0.00 0.00 115 Y 8.38 4.64 0.00 3.07 2.81 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 0.00 116 K 9.36 3.35 0.00 1.58 1.58 0.00 1.46 0.00 0.00 1.32 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.88 7.81 117 G 8.45 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 0.00 118 N 7.84 4.89 0.00 2.96 2.86 0.00 0.00 6.64 8.15 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 0.00 119 N 8.17 5.14 0.00 2.87 3.02 0.00 0.00 6.10 7.22 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 0.00 120 T 8.36 3.83 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 1.04 0.00 0.00 121 H 8.08 4.85 0.00 2.96 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.46 4.01 0.00 2.12 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 2.35 2.41 0.00 123 Q 8.04 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 L 7.96 3.93 0.00 1.75 1.87 0.90 0.55 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 0.00 125 L 8.00 4.08 0.00 1.98 1.73 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.13 3.96 0.00 2.01 1.96 0.00 3.29 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 127 K 8.10 3.90 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.75 1.62 7.81 128 S 7.87 4.12 0.00 3.90 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 0.00 129 E 8.30 3.94 0.00 2.20 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 2.22 2.61 0.00 130 A 7.84 3.73 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 0.00 131 Q 7.99 3.79 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 132 A 8.16 4.02 1.47 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 0.00 0.00 133 K 7.72 3.23 0.00 1.18 1.36 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.73 0.21 7.81 134 K 7.98 3.93 0.00 1.71 1.99 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 7.87 4.39 0.00 1.98 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 2.28 2.56 0.00 136 K 7.74 4.38 0.00 1.88 1.89 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.36 7.81 137 L 8.28 4.22 0.00 1.96 1.58 1.06 0.82 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 0.00 138 N 9.46 3.47 0.00 2.54 1.42 0.00 0.00 7.14 7.21 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 0.00 139 I 5.42 3.13 1.15 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.07 -0.13 0.00 0.00 140 W 8.29 4.93 0.00 3.45 3.05 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 0.00 141 S 8.13 4.49 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.