NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 G 3.7782 8.3549 109.6607 45.1654 0.0000 173.7188 27 W 4.3244 7.4090 118.8870 53.8704 30.3953 174.6431 28 P 4.4193 0.0000 0.0000 62.3586 32.4278 176.0834 29 K 4.1662 8.2172 119.4185 57.0299 32.8150 176.0882 30 H 4.8261 8.4813 120.0721 54.1400 33.0347 172.8968 31 T 4.6272 8.5077 118.6623 63.0491 68.4264 174.6267 32 A 4.5999 9.7145 130.5434 54.5258 19.6997 174.4645 33 C 5.0169 7.9590 107.1353 55.5027 45.0659 173.6821 34 N 4.9398 8.3727 116.3716 53.4813 39.4291 173.2929 35 S 4.4792 9.2277 117.7426 58.3248 66.1438 176.4415 36 G 3.8463 9.3774 108.2556 46.7885 0.0000 175.2380 37 G 3.9134 8.5572 105.8108 44.6653 0.0000 172.8678 38 L 5.2236 8.0010 121.5804 52.8969 45.4029 174.7190 39 E 5.2023 9.3055 126.9306 54.3382 32.7894 174.4698 40 V 4.9159 9.0782 126.6823 61.2391 34.4509 174.0989 41 V 5.0629 8.8350 128.2848 61.2491 34.3793 173.8531 42 Y 5.4889 8.9271 124.6166 55.3584 42.1766 173.7678 43 Q 4.6847 9.1748 120.5792 54.0551 32.8022 174.1270 44 S 5.0861 9.0358 121.4415 58.5139 63.0758 172.3195 45 C 5.0577 9.2125 121.7541 55.3398 36.9164 172.8061 46 D 4.8994 8.3077 120.4456 52.7775 41.1698 175.5061 47 P 4.5959 0.0000 0.0000 65.7406 31.5675 177.6951 48 L 4.3239 8.5917 119.0852 57.6307 41.6909 176.9373 49 Q 3.6437 7.7153 112.2981 55.3222 31.1879 172.8419 50 D 4.1628 6.8492 119.2799 53.2294 42.6459 174.3799 51 F 4.8425 7.7474 115.1016 55.8400 41.0467 173.3592 52 G 4.2649 9.1112 106.9299 44.5754 0.0000 172.7007 53 L 5.4387 8.7345 125.4986 53.6441 45.9316 174.6816 54 S 5.0028 9.6674 120.5650 56.6250 66.3046 172.3062 55 I 4.9642 8.5884 126.4991 59.6442 39.4838 174.9679 56 D 4.6150 9.0855 127.0545 53.9561 42.5758 176.7108 57 Q 3.7499 8.7589 119.4844 56.8302 26.2489 174.9085 58 C 4.3964 7.3175 111.4323 57.7657 40.9359 173.5608 59 S 4.9361 8.1320 114.7619 57.0534 64.9160 174.5955 60 K 3.9495 8.9685 125.2727 59.6585 32.9901 176.2523 61 Q 4.6143 7.9840 121.8346 54.8132 29.0157 175.0712 62 I 3.9985 8.7471 129.1279 61.1158 38.1093 176.0648 63 Q 4.5437 8.6114 126.0294 55.1122 29.8076 176.0801 64 S 4.1859 8.6707 117.4283 59.5099 63.4993 174.1432 65 N 4.8998 8.3004 117.9544 53.1975 36.2329 174.9496 66 L 4.1284 8.6355 118.7422 55.3812 43.6354 178.1299 67 N 5.2401 8.7349 120.1557 52.6206 40.3574 174.1947 68 I 5.2027 8.9606 116.2741 59.1533 42.0762 174.2251 69 R 5.0993 9.2842 121.0091 54.3829 33.7948 174.6073 70 F 5.4377 9.4710 125.9418 56.4840 42.8860 173.4793 71 G 4.3911 8.8818 113.1391 44.5177 0.0000 171.1657 72 I 4.6265 8.2648 122.6153 59.9545 42.1716 172.8944 73 I 4.7490 8.0841 127.7776 59.7028 38.5280 175.6073 74 L 4.2198 9.0792 128.5679 55.0301 42.2850 177.7810 75 R 4.6561 8.8292 120.9041 56.1533 31.3605 175.8545 76 Q 4.7137 7.8298 116.9342 53.8496 32.7781 174.8030 77 D 4.7329 8.8070 121.6840 54.5153 42.1521 175.8174 78 I 4.4405 8.9505 122.5766 60.1303 39.6222 176.3077 79 R 4.2038 9.5240 126.6322 57.1827 31.4078 176.8992 80 K 4.7673 7.9052 115.0348 54.3154 36.6786 175.1288 81 L 4.9076 7.5664 123.4382 53.3200 45.7697 175.1908 82 F 4.9849 8.6172 123.2506 55.3563 43.4426 173.4687 83 L 5.0328 8.8419 124.1342 53.4370 44.6000 174.6640 84 D 5.6157 9.3556 126.5467 52.6903 44.0522 175.3912 85 I 4.9901 9.0938 122.8671 59.8848 41.2971 174.3797 86 T 5.0302 9.1059 123.2042 61.6145 71.5363 172.7534 87 L 5.2259 8.9006 127.9943 53.5991 44.9819 175.0790 88 M 5.4912 9.3396 124.6847 53.8684 36.9655 174.2450 89 A 4.6522 8.9378 121.2350 51.2360 23.2316 176.8817 90 K 3.7952 9.6315 121.4213 57.5637 29.6442 176.8232 91 G 3.9730 8.5044 105.3037 45.6170 0.0000 174.1395 92 S 4.7834 7.7296 116.1386 56.2410 65.1646 173.4629 93 S 4.5340 8.5288 118.7912 58.6168 62.8343 173.4597 94 I 4.3605 8.6692 129.5585 63.0709 37.8045 176.0071 95 L 4.6674 7.6280 119.9201 54.6976 43.5135 173.3393 96 N 5.6244 8.7822 117.5376 51.8445 41.5509 173.3479 97 Y 4.8935 9.0469 122.7897 56.1009 42.8484 173.9353 98 S 5.0568 7.8462 119.3886 56.4718 65.6575 172.3284 99 Y 4.5292 8.8034 128.0987 55.1781 42.3635 171.8488 100 P 4.6477 0.0000 0.0000 62.6537 31.7857 176.0138 101 L 4.3866 8.5927 124.5785 55.0742 42.5993 174.5563 102 C 4.5824 7.1812 110.3700 55.5276 45.4139 172.0288 *109 F 4.7281 8.5817 122.9741 58.9543 39.1127 174.6569 110 S 4.3202 7.5586 122.5092 57.4876 65.1907 173.2632 111 F 3.8907 8.9908 117.4484 61.1795 38.7807 176.6920 112 C 4.4478 7.5410 115.4959 58.0706 40.4095 174.1508 113 G 3.8499 8.9923 112.0101 45.3219 0.0000 174.1359 114 R 4.2417 7.4667 117.7404 55.9273 31.0168 175.8832 115 R 5.0548 8.8398 119.5904 53.6767 33.0954 175.6533 116 K 4.0454 9.3132 120.1347 58.6640 32.4461 177.3979 117 G 4.0236 9.2712 112.3212 45.1057 0.0000 173.7274 118 E 4.0968 7.9263 120.2659 56.6069 30.6131 176.1278 119 Q 4.7747 8.6525 123.4723 55.1191 29.9947 175.0101 120 I 4.4230 8.8374 126.0854 59.6772 39.6541 174.2950 121 Y 5.1344 8.5237 126.9601 56.0071 41.6365 173.3981 122 Y 4.6966 8.9280 128.1201 55.6067 41.7036 173.9925 123 A 4.6746 8.4354 127.5596 50.1664 21.7676 175.3313 124 G 3.7523 7.5467 108.9333 45.9719 0.0000 169.5704 125 P 5.2333 0.0000 0.0000 62.7132 32.7019 175.8862 126 V 4.3431 8.5668 113.6719 59.2935 35.0940 175.5985 127 N 5.0355 8.0050 120.0374 52.0879 36.3328 174.6271 128 N 4.8040 7.5474 118.4006 51.0236 40.1517 174.8806 129 P 4.7258 0.0000 0.0000 62.3074 32.6111 176.1563 130 G 3.8157 8.4369 108.1586 46.6054 0.0000 172.8870 131 L 4.5807 8.8026 124.2578 53.6387 46.1072 174.3610 132 D 5.0237 8.7203 126.7547 53.3470 41.1178 176.2492 133 V 3.7591 8.5410 125.7333 61.5084 31.7773 174.4235 134 P 4.4095 0.0000 0.0000 62.0441 31.9386 176.1335 135 Q 4.0538 8.7389 122.2400 56.4117 29.4443 177.2798 136 G 3.8681 7.6103 111.2923 43.8428 0.0000 170.7643 137 E 5.1094 7.7678 120.5303 54.5344 31.8934 175.3371 138 Y 4.9980 9.2798 122.9752 56.3502 42.7385 174.0996 139 Q 5.1967 9.1461 120.8860 54.1549 32.0349 174.4847 140 L 5.2244 9.1242 125.1656 53.1945 45.6424 174.5202 141 L 5.2493 9.1224 128.4586 53.2547 44.7915 174.6958 142 L 5.2588 8.9727 126.0164 52.9993 44.8808 175.2371 143 E 5.0911 9.4394 123.1922 54.6130 33.2217 174.5876 144 L 5.2191 9.1623 125.6108 53.1351 44.1647 175.3718 145 Y 5.4196 8.5150 120.9602 55.9852 42.4314 174.3027 146 N 6.2432 9.0355 117.3985 50.7225 39.8470 175.1218 147 E 4.4335 8.9152 114.7420 59.0677 29.8982 176.9525 148 N 4.7592 8.4456 115.5779 52.6273 38.8103 174.7964 149 R 3.8411 8.0169 115.2122 57.0112 28.3935 175.7188 150 A 4.4431 8.3314 121.4191 51.1337 19.6463 178.1059 151 T 4.5145 8.5144 120.1922 63.9869 69.0841 174.1749 152 V 4.2321 8.9800 126.8931 64.5782 32.8560 175.8477 153 A 4.7768 7.6500 119.5944 50.7996 22.8951 175.6676 154 C 5.4449 8.7888 119.0246 55.1079 48.5583 172.5856 155 A 5.6543 9.5144 127.7454 50.3366 22.3686 174.1193 156 N 5.4931 9.3493 119.9189 51.2443 39.9072 173.9540 157 A 5.3649 9.4472 123.0604 50.5697 23.4919 174.6526 158 T 5.0639 9.0707 116.2474 61.6986 72.0796 173.3991 159 V 4.9547 9.0566 126.1205 61.4223 34.4309 174.1424 160 T 5.1264 9.2164 124.9105 61.8723 71.4725 172.7658 161 S 5.3027 9.4197 122.5098 56.5089 64.6673 174.0388 162 S 4.3222 8.9687 121.5993 58.6553 62.6239 173.7923 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 26 G 8.35 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 0.00 0.00 0.00 27 W 7.41 4.32 0.00 3.40 3.09 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 28 P 0.00 4.42 0.00 2.03 2.03 0.00 4.24 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 29 K 8.22 4.17 0.00 1.56 1.66 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 30 H 8.48 4.83 0.00 2.04 2.93 0.00 5.61 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 31 T 8.51 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 1.35 0.00 0.00 32 A 9.71 4.60 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 33 C 7.96 5.02 0.00 2.99 3.36 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 34 N 8.37 4.94 0.00 2.66 2.75 0.00 0.00 6.85 7.63 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 35 S 9.23 4.48 0.00 4.00 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 36 G 9.38 3.85 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 0.00 0.00 0.00 37 G 8.56 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 0.00 0.00 0.00 38 L 8.00 5.22 0.00 1.84 1.49 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.31 5.20 0.00 2.19 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 2.22 2.24 0.00 40 V 9.08 4.92 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 1.07 0.00 0.00 0.97 0.00 0.00 41 V 8.84 5.06 2.11 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 1.03 0.00 0.00 0.95 0.00 0.00 42 Y 8.93 5.49 0.00 3.16 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 43 Q 9.17 4.68 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 44 S 9.04 5.09 0.00 4.01 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 45 C 9.21 5.06 0.00 3.11 3.26 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 46 D 8.31 4.90 0.00 2.89 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 47 P 0.00 4.60 0.00 2.32 2.25 0.00 3.95 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 48 L 8.59 4.32 0.00 1.84 1.88 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.72 3.64 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 50 D 6.85 4.16 0.00 1.70 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 0.00 0.00 0.00 0.00 51 F 7.75 4.84 0.00 3.09 2.90 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 52 G 9.11 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 0.00 0.00 0.00 0.00 53 L 8.73 5.44 0.00 1.93 0.83 1.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.67 5.00 0.00 3.93 3.69 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 55 I 8.59 4.96 1.90 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 1.23 0.82 0.92 0.00 0.00 56 D 9.09 4.62 0.00 2.69 2.58 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 57 Q 8.76 3.75 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 58 C 7.32 4.40 0.00 3.05 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 59 S 8.13 4.94 0.00 3.78 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 60 K 8.97 3.95 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.51 7.81 61 Q 7.98 4.61 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.61 0.00 62 I 8.75 4.00 1.94 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 1.19 0.62 0.86 0.00 0.00 63 Q 8.61 4.54 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 64 S 8.67 4.19 0.00 3.73 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 65 N 8.30 4.90 0.00 2.85 2.84 0.00 0.00 6.97 7.15 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 66 L 8.64 4.13 0.00 1.58 1.58 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.73 5.24 0.00 2.67 2.71 0.00 0.00 6.59 7.25 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 68 I 8.96 5.20 2.03 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 1.49 1.14 0.92 0.00 0.00 69 R 9.28 5.10 0.00 1.75 1.85 0.00 3.15 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 70 F 9.47 5.44 0.00 3.02 2.97 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 71 G 8.88 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 0.00 0.00 0.00 72 I 8.26 4.63 1.24 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.73 0.00 0.00 73 I 8.08 4.75 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 1.32 0.68 0.90 0.00 0.00 74 L 9.08 4.22 0.00 1.56 1.75 0.97 0.77 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 75 R 8.83 4.66 0.00 1.70 1.97 0.00 3.33 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.60 0.00 76 Q 7.83 4.71 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 77 D 8.81 4.73 0.00 2.59 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 78 I 8.95 4.44 1.89 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 1.26 0.87 0.93 0.00 0.00 79 R 9.52 4.20 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 80 K 7.91 4.77 0.00 1.67 1.21 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.39 7.81 81 L 7.57 4.91 0.00 1.45 1.10 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.62 4.98 0.00 1.59 2.35 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 83 L 8.84 5.03 0.00 1.57 1.50 0.90 1.34 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 84 D 9.36 5.62 0.00 2.89 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 85 I 9.09 4.99 1.95 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 1.24 0.87 0.88 0.00 0.00 86 T 9.11 5.03 4.29 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 0.00 0.00 1.25 0.00 0.00 87 L 8.90 5.23 0.00 1.74 1.49 0.99 0.58 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 88 M 9.34 5.49 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 89 A 8.94 4.65 1.17 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 0.00 0.00 90 K 9.63 3.80 0.00 1.87 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.31 7.81 91 G 8.50 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 92 S 7.73 4.78 0.00 4.01 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 93 S 8.53 4.53 0.00 3.85 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 94 I 8.67 4.36 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.94 0.00 0.00 95 L 7.63 4.67 0.00 1.76 1.74 0.95 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.78 5.62 0.00 2.63 2.78 0.00 0.00 6.64 7.46 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 97 Y 9.05 4.89 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 98 S 7.85 5.06 0.00 3.82 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.80 4.53 0.00 2.41 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.65 0.00 1.89 2.15 0.00 2.30 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 101 L 8.59 4.39 0.00 1.18 1.51 0.55 0.93 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 0.00 102 C 7.18 4.58 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 F 8.58 4.73 0.00 2.99 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.56 4.32 0.00 3.95 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 0.00 111 F 8.99 3.89 0.00 2.97 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 0.00 112 C 7.54 4.45 0.00 2.96 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 0.00 113 G 8.99 3.85 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 0.00 0.00 0.00 114 R 7.47 4.24 0.00 2.11 1.84 0.00 3.11 0.00 0.00 2.81 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 115 R 8.84 5.05 0.00 1.93 1.80 0.00 3.19 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 116 K 9.31 4.05 0.00 1.71 1.81 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.70 7.81 117 G 9.27 4.02 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 0.00 0.00 0.00 118 E 7.93 4.10 0.00 2.04 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 2.33 2.43 0.00 119 Q 8.65 4.77 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 120 I 8.84 4.42 1.79 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.25 0.79 0.00 0.00 121 Y 8.52 5.13 0.00 2.89 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 0.00 122 Y 8.93 4.70 0.00 3.29 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 0.00 123 A 8.44 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.55 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 0.00 125 P 0.00 5.23 0.00 2.10 2.06 0.00 3.77 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 2.04 2.01 0.00 126 V 8.57 4.34 1.96 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 0.62 0.00 0.00 0.99 0.00 0.00 127 N 8.00 5.04 0.00 2.45 2.68 0.00 0.00 6.90 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.55 4.80 0.00 2.64 2.80 0.00 0.00 5.87 7.76 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 0.00 129 P 0.00 4.73 0.00 2.05 2.04 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 130 G 8.44 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 0.00 131 L 8.80 4.58 0.00 1.65 1.39 0.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.72 5.02 0.00 2.57 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 0.00 133 V 8.54 3.76 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 0.57 0.00 0.00 0.88 0.00 0.00 134 P 0.00 4.41 0.00 2.23 2.03 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 135 Q 8.74 4.05 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.16 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 136 G 7.61 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 0.00 137 E 7.77 5.11 0.00 1.88 1.67 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 2.28 2.29 0.00 138 Y 9.28 5.00 0.00 2.86 2.82 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 0.00 139 Q 9.15 5.20 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 140 L 9.12 5.22 0.00 1.75 1.52 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 141 L 9.12 5.25 0.00 1.82 1.53 1.06 0.47 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 0.00 142 L 8.97 5.26 0.00 1.61 1.49 0.93 0.57 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 0.00 143 E 9.44 5.09 0.00 2.05 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 2.29 2.34 0.00 144 L 9.16 5.22 0.00 1.59 1.47 0.53 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.52 5.42 0.00 3.19 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 0.00 146 N 9.04 6.24 0.00 3.13 3.10 0.00 0.00 6.66 7.34 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 0.00 147 E 8.92 4.43 0.00 2.23 2.26 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 2.35 2.33 0.00 148 N 8.45 4.76 0.00 2.89 2.89 0.00 0.00 6.97 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 0.00 149 R 8.02 3.84 0.00 1.92 1.84 0.00 3.07 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 150 A 8.33 4.44 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 0.00 151 T 8.51 4.51 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 1.33 0.00 0.00 152 V 8.98 4.23 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 0.79 0.00 0.00 1.04 0.00 0.00 153 A 7.65 4.78 0.94 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 0.00 0.00 154 C 8.79 5.44 0.00 3.06 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 0.00 155 A 9.51 5.65 1.59 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 0.00 156 N 9.35 5.49 0.00 2.85 3.03 0.00 0.00 6.28 7.02 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 0.00 157 A 9.45 5.36 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 0.00 158 T 9.07 5.06 4.29 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 0.00 0.00 1.28 0.00 0.00 159 V 9.06 4.95 2.24 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 0.98 0.00 0.00 0.98 0.00 0.00 160 T 9.22 5.13 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 0.00 161 S 9.42 5.30 0.00 3.96 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 0.00 162 S 8.97 4.32 0.00 3.84 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 * Residues marked with a * may have inaccurate shift predictions.