NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2237 8.3144 122.1308 54.3306 32.7787 174.1434 5 S 4.6653 7.3305 118.7772 55.5124 65.3184 173.2366 6 D 4.3186 9.1493 125.6225 57.1172 41.7611 177.9553 7 R 4.2267 7.4811 116.1384 57.6049 30.0309 176.9090 8 T 2.9266 7.0079 112.7119 61.9727 70.4579 175.1786 9 D 4.2950 7.0731 124.0254 51.7104 38.1136 176.0300 10 W 4.9907 7.2234 123.5494 59.9778 29.7133 177.3298 11 V 3.8665 8.0807 115.4827 66.1835 31.2708 177.4139 12 A 4.2347 8.3599 120.4161 54.8394 18.1535 180.2703 13 L 4.1028 8.0761 117.6795 54.9777 41.7440 179.3778 *15 R 4.1873 8.1012 120.8069 56.3091 32.1181 177.0713 16 A 4.0967 7.9116 119.5601 55.1627 17.7725 179.5862 17 I 3.6985 7.6657 118.0680 63.8824 37.0549 178.3424 18 R 3.7480 7.7050 118.3818 59.6836 30.1069 177.8029 19 D 4.5066 8.1847 117.2293 56.0226 41.0385 177.0564 20 H 4.8901 7.5840 113.2053 54.2921 30.7623 173.3754 21 R 3.3219 7.4381 115.9006 56.9216 28.1933 178.2780 22 D 4.7129 7.8637 116.8983 53.6657 41.0012 174.5179 23 E 4.2785 8.9352 126.8543 59.2832 29.7010 178.6639 24 A 4.0964 8.3247 120.0806 55.1411 18.3939 179.3910 25 A 4.0706 8.5004 119.1858 55.2834 18.5562 179.4193 26 F 4.2725 8.5790 119.0204 61.6556 39.4151 176.9507 27 A 3.9775 8.8588 120.5090 55.3336 17.7320 179.3040 28 E 4.0406 8.3894 116.7673 59.7125 29.6587 179.6280 29 L 3.8842 8.2114 118.7832 57.8107 41.7634 179.4102 30 F 3.7711 8.3528 120.7866 61.3410 39.1032 176.8711 31 Q 4.1333 8.3383 117.9292 58.8386 29.3051 177.0544 32 H 4.4117 7.6281 118.1353 57.9702 30.6970 176.5784 33 F 3.9311 8.1806 118.8942 59.0836 38.9235 177.9472 34 A 3.6063 7.5337 120.8622 54.7277 17.9947 177.9054 35 P 4.1678 0.0000 0.0000 65.5610 31.3036 179.0145 36 K 3.9971 7.3663 116.0489 59.1817 31.9317 179.5713 37 V 3.7750 7.8796 118.7445 65.5927 31.1685 178.1351 38 K 4.0272 7.9644 118.8794 59.5403 32.2248 178.6957 39 G 3.7886 8.0629 104.7734 47.6869 0.0000 175.1451 40 F 4.3216 8.7500 123.2103 60.9316 39.6411 179.6127 41 L 4.2175 8.3744 119.6778 54.5346 41.0812 179.3609 *43 K 3.9683 8.1464 119.9841 56.4738 33.8713 178.1102 44 S 3.9888 7.3787 112.7473 59.4203 62.8160 174.9135 45 G 4.0813 7.4668 108.8583 45.3470 0.0000 173.7368 46 S 4.6610 7.5239 115.0269 56.8023 64.6451 175.0380 47 V 3.8461 7.9863 121.7328 62.3798 33.5986 176.8792 48 A 4.0002 8.6859 125.5548 55.3664 17.9308 180.1450 49 S 4.2472 7.9535 111.8972 61.1310 63.6943 176.5784 50 Q 3.9270 7.9866 120.9401 58.6217 28.4864 178.3985 51 A 3.9852 8.1268 121.8043 55.1440 18.4636 179.3066 52 E 3.8263 8.1052 117.7085 59.2194 29.7559 178.4791 53 E 3.9298 8.7390 119.8159 59.6443 29.6444 178.5168 54 C 4.1186 8.6495 118.7522 62.2274 31.3842 174.7936 55 A 4.0783 8.3230 121.8847 55.8201 17.9929 179.2294 56 Q 4.3022 8.0819 114.8790 59.3110 29.1440 178.6503 57 D 4.5660 8.0035 118.5668 56.9504 41.2899 178.8094 58 V 3.5137 8.4086 116.6963 63.4875 31.1620 177.3079 *60 A 4.4205 7.9871 122.1109 52.1013 20.6204 180.0788 61 T 3.9856 8.1180 112.6073 66.6570 68.1200 176.9679 62 V 3.7176 7.8767 120.1578 66.0104 31.2255 177.9604 63 W 4.1907 8.3646 126.7377 60.2902 30.7109 177.7898 64 Q 4.2383 7.9022 117.1771 58.7036 28.5374 177.8085 65 K 4.3992 8.6214 117.9326 56.2284 32.3980 178.2779 66 A 4.0537 7.5470 126.3484 55.7971 18.3282 180.6002 67 H 4.2302 7.9791 109.5449 58.2414 28.7276 176.5366 68 L 4.2107 8.0544 119.3915 56.1942 41.7586 177.0146 69 F 3.2478 7.2314 121.6463 57.3792 39.6967 174.1684 70 D 4.2938 7.0625 126.5955 51.2354 41.8087 173.9287 71 P 4.3427 0.0000 0.0000 63.3516 31.2830 177.3239 72 S 4.4450 8.0136 113.3865 59.1264 63.7499 175.0332 73 R 4.4352 7.5993 117.9097 56.2090 31.6587 175.5484 74 A 4.5426 7.1549 118.7267 49.9276 21.9799 175.7903 75 S 4.8868 8.3704 115.3967 57.9459 65.5481 175.7184 76 V 3.4564 8.4769 121.2158 65.9785 31.2875 177.9195 77 A 3.6922 8.0125 120.1313 55.0959 18.1765 179.7255 78 T 3.8828 7.8071 113.9188 66.5035 68.7191 176.5103 79 W 4.4044 8.3913 130.2415 60.9548 30.7477 177.7514 80 I 3.2900 8.1173 119.8393 64.4720 36.4191 178.1589 81 F 4.0014 8.1289 121.1651 61.3508 39.2138 177.2332 82 T 3.4823 7.8346 115.5311 66.7072 68.2752 176.6043 83 I 3.5726 7.2570 120.9663 63.6016 36.7798 178.4568 84 A 3.8660 7.4122 121.4430 55.1889 18.3908 179.6755 85 R 3.9497 7.3664 113.2533 59.2438 29.5557 178.1668 86 N 4.4044 7.7423 116.9843 55.2938 39.2145 175.4636 87 R 4.5942 7.8272 118.9505 55.6722 30.9362 175.5229 88 R 4.4955 8.0167 119.8600 55.1700 31.8623 175.8334 89 I 4.0559 8.1774 125.1789 59.4427 36.7895 173.0660 *94 K 4.1882 8.2272 125.1536 55.4180 33.0792 175.6961 95 D 5.1522 8.1575 120.2931 53.6874 42.3552 172.4549 96 R 4.8201 7.6190 128.4409 55.8098 32.0991 174.1552 97 Q 4.5134 7.7913 122.6844 53.7503 29.7652 170.9022 98 P 4.3209 0.0000 0.0000 62.1763 32.1593 175.7234 99 E 4.7611 8.3937 120.3490 53.1933 32.2761 173.9220 100 P 4.3878 0.0000 0.0000 62.2627 31.9213 175.4436 101 E 3.7717 8.6205 119.1707 56.9496 29.6643 176.7553 102 D 4.5127 8.5762 125.1850 53.8662 40.1618 176.0892 103 L 4.1478 8.2407 125.7318 52.8400 41.8809 176.3022 104 F 5.0372 7.1143 117.5980 54.4385 41.1197 174.2223 105 W 4.3370 8.9810 121.8218 55.8784 29.9520 177.1305 106 G 4.6398 8.9231 111.7066 43.3029 0.0000 172.4080 107 P 4.3793 0.0000 0.0000 64.9331 31.4749 177.4242 108 D 4.5237 8.4653 121.6892 56.7402 39.6382 176.2484 109 S 4.9208 7.9028 113.5656 57.4523 65.7677 174.2163 110 E 4.2481 8.1482 113.8345 56.0477 32.9639 173.2018 111 P 3.0895 0.0000 0.0000 62.2680 32.1873 176.8048 112 D 4.4156 8.1612 121.0468 55.0580 41.0582 176.3945 113 Q 4.0931 8.8696 123.7156 58.4375 28.6840 179.7270 114 A 4.0627 7.9075 120.8302 55.3663 18.3493 179.1559 115 D 4.3177 7.9579 115.6058 57.5273 40.9800 178.8768 116 V 3.6886 7.8088 117.9168 66.1620 31.9964 177.0927 117 Y 4.3377 8.5640 119.6600 60.5738 38.5284 177.6375 118 E 4.0538 8.2551 118.4791 56.8807 29.8370 178.8206 *120 Q 4.3167 8.1185 120.3587 56.2281 30.9610 177.7007 121 Q 3.8294 7.5151 116.4793 59.0482 28.6268 178.5138 122 E 3.8917 8.5390 119.8493 59.4852 29.4966 179.2145 123 N 4.2751 8.0813 116.5141 56.5933 39.0776 176.7112 124 A 4.1189 8.3344 124.8318 55.4528 18.3001 180.4154 125 R 3.8415 8.1348 119.6790 61.5513 29.5007 181.5927 126 L 4.1941 8.1447 121.6664 57.9712 41.7850 179.0621 127 G 3.7716 7.8290 104.0689 48.1668 0.0000 174.9822 128 R 4.0256 8.2024 121.5659 58.9231 30.1565 178.4610 129 A 4.0222 8.2087 120.7326 55.1217 18.2365 178.9946 130 I 4.0592 7.7511 114.4149 62.0397 37.1112 176.3687 131 A 4.6841 7.2945 122.1384 51.7553 19.7333 178.1914 132 R 4.6741 7.7720 112.3638 55.7885 29.7129 174.9400 133 L 4.6596 7.4677 118.7430 52.8153 44.7486 173.7256 134 P 4.2532 0.0000 0.0000 63.0600 31.8483 176.5701 135 E 3.8906 9.0897 121.7594 59.7416 29.1253 179.2067 136 A 4.0661 8.0249 118.9114 54.2696 18.7867 178.3970 137 Q 4.3746 8.2093 116.3788 57.1725 30.0166 177.9433 138 R 3.8641 7.9406 119.2335 59.5575 30.2579 178.2852 139 A 4.1542 7.7610 119.8198 54.5655 18.3140 179.4629 140 L 3.8996 7.9102 119.4049 58.3157 42.2279 179.0684 141 I 3.7730 7.7196 119.1356 64.5283 37.2208 177.7417 142 E 3.6534 8.0039 119.0142 59.9347 29.1985 180.0080 143 R 4.1898 7.9640 115.9473 59.0946 30.1127 178.8026 144 A 4.0468 7.6086 119.5255 54.9768 18.5664 179.1546 145 F 4.3257 8.4616 114.1368 60.2370 39.7373 175.8185 146 F 5.3479 8.3254 118.5831 57.7966 40.7905 176.7030 147 G 3.9045 8.1700 109.5710 49.0358 0.0000 174.2154 *160 L 4.1195 7.5603 118.6481 53.9223 42.7036 173.7957 161 P 5.0372 0.0000 0.0000 61.2772 34.2120 173.6755 162 L 4.7171 7.7936 115.9139 53.6430 44.3578 177.0304 163 G 3.6214 7.8395 109.4206 48.0113 0.0000 176.4823 164 T 3.9410 7.7360 117.5185 66.5994 68.8597 176.6931 165 I 3.7075 7.6800 120.0352 63.7777 38.0675 177.3739 166 K 3.8705 8.0602 120.6556 59.7653 31.8779 178.7429 167 S 4.1388 7.7873 115.1507 61.8177 62.7029 176.9949 168 R 3.9466 7.6718 119.6384 59.2120 29.5499 179.2765 169 I 3.7042 7.6916 119.2585 64.2663 37.1181 178.1175 170 R 4.2337 7.9440 119.5585 59.5050 29.9805 178.0003 171 L 3.8995 8.2596 119.8214 58.3639 42.0176 178.8277 172 A 4.1118 8.6780 121.1049 55.1385 18.0143 179.6548 173 L 3.9390 8.7134 117.9116 57.8960 41.9043 178.8210 174 D 4.5326 8.3799 119.3119 57.6593 40.7534 179.0004 175 R 3.9630 7.8120 117.6908 59.6418 30.2283 178.7631 176 L 3.1587 7.7090 119.5670 58.0068 41.5532 179.3701 177 R 3.8864 7.9804 120.2041 59.7426 30.1292 179.2477 178 Q 4.1170 8.1048 119.3218 59.4092 28.0846 178.3713 179 H 4.5922 7.7463 121.8820 56.9745 30.0336 174.3043 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 4 K 8.31 4.22 0.00 1.79 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 5 S 7.33 4.67 0.00 3.82 3.58 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 6 D 9.15 4.32 0.00 2.70 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 7 R 7.48 4.23 0.00 1.67 1.94 0.00 3.10 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 8 T 7.01 2.93 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 0.72 0.00 0.00 9 D 7.07 4.29 0.00 2.63 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 10 W 7.22 4.99 0.00 3.44 3.27 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 11 V 8.08 3.87 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 0.97 0.00 0.00 1.15 0.00 0.00 12 A 8.36 4.23 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 13 L 8.08 4.10 0.00 2.13 1.90 1.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 8.10 4.19 0.00 2.06 2.14 0.00 3.20 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 16 A 7.91 4.10 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 17 I 7.67 3.70 1.83 0.00 0.00 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 1.63 1.42 0.35 0.00 0.00 18 R 7.71 3.75 0.00 1.73 1.97 0.00 3.18 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 19 D 8.18 4.51 0.00 2.32 2.41 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 20 H 7.58 4.89 0.00 3.25 3.24 0.00 5.80 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.44 3.32 0.00 2.06 2.24 0.00 3.29 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 22 D 7.86 4.71 0.00 2.91 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 23 E 8.94 4.28 0.00 2.12 1.97 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 2.72 2.50 0.00 24 A 8.32 4.10 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.50 4.07 1.62 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 0.00 0.00 26 F 8.58 4.27 0.00 3.69 3.51 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 27 A 8.86 3.98 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 28 E 8.39 4.04 0.00 2.43 2.29 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 2.68 2.61 0.00 29 L 8.21 3.88 0.00 1.87 1.73 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.35 3.77 0.00 2.40 2.70 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 31 Q 8.34 4.13 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 32 H 7.63 4.41 0.00 3.24 2.73 0.00 5.82 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 33 F 8.18 3.93 0.00 3.00 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 34 A 7.53 3.61 0.21 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 35 P 0.00 4.17 0.00 2.06 2.06 0.00 3.48 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 36 K 7.37 4.00 0.00 1.92 1.86 0.00 1.17 0.00 0.00 1.47 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.23 7.81 37 V 7.88 3.78 2.16 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 1.08 0.00 0.00 0.95 0.00 0.00 38 K 7.96 4.03 0.00 1.78 1.96 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.45 7.81 39 G 8.06 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 40 F 8.75 4.32 0.00 3.34 3.38 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 41 L 8.37 4.22 0.00 1.82 1.70 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 *43 K 8.15 3.97 0.00 1.41 0.74 0.00 1.23 0.00 0.00 0.65 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 1.16 7.81 44 S 7.38 3.99 0.00 4.00 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 45 G 7.47 4.08 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 0.00 46 S 7.52 4.66 0.00 4.03 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 47 V 7.99 3.85 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 1.04 0.00 0.00 0.92 0.00 0.00 48 A 8.69 4.00 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 49 S 7.95 4.25 0.00 4.06 4.12 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 50 Q 7.99 3.93 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 51 A 8.13 3.99 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 52 E 8.11 3.83 0.00 2.16 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 0.00 2.34 2.36 0.00 53 E 8.74 3.93 0.00 2.09 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 2.32 2.49 0.00 54 C 8.65 4.12 0.00 3.08 2.92 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 55 A 8.32 4.08 1.33 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 0.00 0.00 56 Q 8.08 4.30 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.94 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 57 D 8.00 4.57 0.00 2.84 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 58 V 8.41 3.51 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 0.80 0.00 0.00 0.94 0.00 0.00 *60 A 7.99 4.42 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.12 3.99 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 1.15 0.00 0.00 62 V 7.88 3.72 2.40 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 1.35 0.00 0.00 0.93 0.00 0.00 63 W 8.36 4.19 0.00 3.22 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 64 Q 7.90 4.24 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 65 K 8.62 4.40 0.00 2.04 1.99 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.63 7.81 66 A 7.55 4.05 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 67 H 7.98 4.23 0.00 3.08 3.31 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.05 4.21 0.00 2.06 2.02 1.13 1.28 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 69 F 7.23 3.25 0.00 1.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.06 4.29 0.00 2.64 2.33 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 71 P 0.00 4.34 0.00 2.19 2.25 0.00 3.01 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 72 S 8.01 4.44 0.00 4.00 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 73 R 7.60 4.44 0.00 1.79 2.01 0.00 3.22 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 74 A 7.15 4.54 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 75 S 8.37 4.89 0.00 4.21 4.12 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 76 V 8.48 3.46 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 0.59 0.00 0.00 0.58 0.00 0.00 77 A 8.01 3.69 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 78 T 7.81 3.88 4.60 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 1.37 0.00 0.00 79 W 8.39 4.40 0.00 3.78 3.42 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 80 I 8.12 3.29 1.63 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 0.65 0.00 0.00 81 F 8.13 4.00 0.00 2.89 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 82 T 7.83 3.48 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 1.11 0.00 0.00 83 I 7.26 3.57 1.58 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.11 0.68 0.00 0.00 84 A 7.41 3.87 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 85 R 7.37 3.95 0.00 1.85 1.74 0.00 3.01 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.44 0.00 86 N 7.74 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0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.72 3.77 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 1.71 0.43 1.05 0.00 0.00 142 E 8.00 3.65 0.00 2.20 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 2.58 2.58 0.00 143 R 7.96 4.19 0.00 2.11 2.03 0.00 3.36 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 144 A 7.61 4.05 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 0.00 145 F 8.46 4.33 0.00 2.50 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 0.00 146 F 8.33 5.35 0.00 3.10 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 0.00 147 G 8.17 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 *160 L 7.56 4.12 0.00 1.69 1.67 0.95 0.96 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 0.00 161 P 0.00 5.04 0.00 2.13 2.00 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 162 L 7.79 4.72 0.00 1.69 1.64 0.96 0.81 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 0.00 163 G 7.84 3.62 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 0.00 0.00 0.00 164 T 7.74 3.94 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 1.24 0.00 0.00 165 I 7.68 3.71 1.87 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 1.53 1.23 0.97 0.00 0.00 166 K 8.06 3.87 0.00 2.10 1.99 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.51 7.81 167 S 7.79 4.14 0.00 4.05 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 0.00 168 R 7.67 3.95 0.00 2.01 1.98 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 169 I 7.69 3.70 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.02 0.93 0.00 0.00 170 R 7.94 4.23 0.00 2.07 2.15 0.00 3.16 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 171 L 8.26 3.90 0.00 1.92 1.84 0.95 1.23 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 0.00 172 A 8.68 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 0.00 173 L 8.71 3.94 0.00 1.80 1.73 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 174 D 8.38 4.53 0.00 2.88 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 0.00 175 R 7.81 3.96 0.00 2.19 2.20 0.00 3.38 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 176 L 7.71 3.16 0.00 1.46 1.59 0.71 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 177 R 7.98 3.89 0.00 1.97 1.92 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 178 Q 8.10 4.12 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 179 H 7.75 4.59 0.00 2.87 2.96 0.00 5.75 0.00 0.00 0.00 0.00 6.98 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.