NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4110 8.3349 115.2866 58.4671 62.8653 171.6282 3 Q 4.0682 7.6002 119.8811 54.4943 33.0722 173.1342 4 S 4.0706 8.8475 122.8912 58.9061 64.2079 174.6392 5 N 4.2908 8.5979 127.4609 56.0673 38.4761 176.8422 6 R 3.8629 8.0691 119.7047 59.8580 30.0093 178.1101 7 E 3.9028 7.9200 117.9029 59.1976 29.3096 179.3473 8 L 3.9220 7.5713 118.9325 57.7993 41.7805 179.4385 9 V 3.5463 8.0361 118.4689 66.3013 31.3838 178.2220 10 V 2.8818 7.6798 117.6370 65.6794 31.1879 177.5184 11 D 4.1348 8.0770 117.8468 57.1161 41.0097 177.9259 12 F 4.0208 8.4146 121.3711 61.3892 39.3463 177.1456 13 L 4.1549 8.2177 118.5969 57.9346 41.4464 179.5895 14 S 4.2905 8.1631 115.2283 61.7014 62.8627 176.2071 15 Y 4.1580 8.1385 122.1024 60.7843 38.3940 178.0255 16 K 3.8696 7.6590 119.4146 58.7320 32.3648 179.0164 17 L 4.2881 8.3077 119.6958 57.9221 41.6527 179.7822 18 S 4.8703 8.1157 115.3182 60.9386 62.3486 176.1157 19 Q 4.0758 7.8694 120.4356 57.1666 28.0864 177.3169 20 K 4.2756 7.8361 118.2603 55.7714 32.6708 177.1530 21 G 3.6606 7.8960 107.5801 45.3775 0.0000 173.4788 22 Y 4.8331 7.0292 117.7539 56.8640 39.8824 174.1958 23 S 4.9745 8.2854 113.9604 56.7305 65.8444 173.9079 24 W 4.3098 9.1653 134.4859 60.4278 30.7980 175.1370 25 S 4.4930 7.6875 110.1775 57.3184 65.3744 174.8638 26 Q 3.8266 8.7071 120.4775 59.5508 29.2466 177.6902 *83 M 4.3678 8.0597 115.9910 55.3464 34.1874 177.5927 84 A 4.1300 7.8403 119.8885 55.1487 18.4361 179.5978 85 A 4.0107 8.0212 119.3266 55.1445 18.3965 180.0394 86 V 3.6601 8.0039 116.8364 66.2168 31.6129 178.3985 87 K 3.7941 8.4602 118.6026 59.4924 31.8333 179.1471 88 Q 3.9814 8.1653 119.5092 58.7934 28.9844 177.8942 89 A 3.9734 8.2061 121.8918 55.1185 18.4821 179.0297 90 L 4.0478 8.2516 118.9127 58.6389 42.0578 179.3397 91 R 3.9303 8.0876 117.6330 59.5137 30.0739 178.9138 92 E 4.0350 8.3191 117.9550 59.3754 29.4524 179.3045 93 A 4.3193 8.7722 121.4247 55.2376 18.4069 179.9630 94 G 3.7692 8.6998 104.7187 47.9024 0.0000 175.7851 95 D 4.4257 8.2179 121.1962 57.2663 40.8448 178.4379 96 E 4.0148 8.3791 119.8083 59.1551 29.5051 178.4735 97 F 4.0767 8.8734 121.0913 61.6219 39.4868 177.0936 98 E 4.1937 8.8431 117.9636 58.9344 29.2765 179.2117 99 L 4.0175 7.8028 120.5224 58.0717 42.0736 178.5443 100 R 4.1343 8.0545 115.2559 57.4577 30.2827 177.2392 101 Y 4.1997 7.4007 120.3589 59.7361 39.2866 177.5812 102 R 4.3822 8.2488 115.6102 59.2994 29.5665 178.6685 103 R 3.9605 7.7659 117.6057 58.3632 30.0591 177.8279 104 A 4.0491 7.2973 118.6045 53.8211 20.0523 175.9497 105 F 4.8678 8.0885 114.3541 56.3822 42.4772 173.3669 106 S 4.6916 9.2085 117.0764 58.6390 64.6692 174.3797 107 D 4.3167 7.9607 122.0116 51.7194 39.3616 176.6395 108 L 4.2500 8.5173 123.3260 57.5553 41.7744 178.1359 109 T 3.7378 7.6438 113.9192 63.5171 66.2143 174.7164 110 S 4.1765 5.9453 121.1462 59.5111 62.5220 171.5424 111 Q 4.7576 7.8779 128.4173 57.0650 36.9800 174.9430 112 L 4.0297 7.6640 119.0228 54.8439 42.5658 176.7860 113 H 4.6862 8.1195 118.9176 54.8939 28.7656 174.9096 114 I 4.4454 8.2659 126.2962 60.0871 38.4965 176.1479 115 T 4.7770 8.0731 114.4780 58.5470 72.9441 173.0988 116 P 4.3978 0.0000 0.0000 66.1464 31.4538 178.9395 117 G 3.8063 8.1916 103.1364 46.7552 0.0000 174.6422 118 T 4.6633 7.7972 109.3788 61.3465 69.7442 176.0186 119 A 4.0843 8.2619 125.1078 55.8069 18.4433 178.7800 120 Y 2.8358 7.9596 117.0347 60.7163 38.7010 178.1602 121 Q 3.8210 8.0373 118.2514 59.0098 28.8084 179.1412 122 S 4.0330 7.9864 115.9506 61.4752 62.8750 176.2053 123 F 4.2416 8.4632 123.7652 61.4195 39.0030 176.7250 124 E 3.6604 8.2590 118.8244 59.2495 29.4339 178.7345 125 Q 3.8193 7.9640 118.0630 58.8833 28.8045 178.9590 126 V 3.2084 7.4296 118.9926 66.0317 31.3302 178.3004 127 V 3.2727 7.3707 117.9603 65.8170 31.0680 177.7529 128 N 4.3795 8.1794 116.6388 56.1131 38.1217 177.0240 129 E 3.8728 7.7572 119.9992 58.8303 29.7523 178.1628 130 L 3.7977 7.6162 119.8779 57.1685 42.3846 178.0370 131 F 5.0931 7.3633 116.2545 56.1500 39.1412 177.1625 132 R 3.9374 7.3569 120.5470 59.0896 29.9085 177.6390 133 D 4.7745 8.6312 115.2557 52.4500 40.1747 175.1772 134 G 4.2407 6.7636 104.7281 44.2911 0.0000 173.6689 135 V 4.3638 7.5521 119.2715 60.5075 34.4939 174.6270 136 N 4.2723 7.5061 121.3574 50.2818 41.0129 175.4959 137 W 4.4657 8.8567 121.1144 60.0825 29.1246 178.8602 138 G 3.9232 8.6292 105.0440 48.2071 0.0000 175.8025 139 R 3.8994 8.7677 120.7921 58.7912 30.0468 179.2867 140 I 3.9918 7.6867 119.7130 64.3780 37.0643 178.5585 141 V 3.7609 8.4326 119.3848 65.9798 31.2786 177.8938 142 A 2.6214 7.9381 120.6478 54.5567 18.1397 179.3444 143 F 4.1139 8.4866 119.3186 61.4856 39.4839 177.3985 144 F 3.8423 8.4145 117.0788 60.7926 38.7277 177.8726 145 S 4.2322 8.2370 114.7764 61.4143 62.5459 176.7008 146 F 4.2501 8.4468 123.7313 61.2001 39.2020 177.3607 147 G 3.4426 7.9259 105.4700 47.6827 0.0000 175.7135 148 G 3.6283 8.4261 108.4786 47.5504 0.0000 175.6370 149 A 3.9892 8.1474 123.2899 54.7231 18.2768 179.7404 150 L 3.8211 7.6790 117.5984 58.0222 41.6463 179.5706 151 C 4.0328 8.0036 116.6499 62.7061 28.0280 176.2760 152 V 3.5652 7.8470 119.8419 65.9542 31.0457 177.7946 153 E 3.9424 8.2492 118.2703 59.7123 29.3273 179.4616 154 S 4.1133 8.1760 115.1421 61.7979 62.7752 177.0641 155 V 3.6577 7.9477 120.6308 65.5649 31.0042 177.8290 156 D 4.3979 8.2167 118.6812 56.9594 40.7204 178.0467 157 K 4.3882 8.0977 116.3286 55.1294 33.3471 176.7140 158 E 3.8494 7.7939 116.4264 58.3126 27.4618 174.4932 159 M 4.9081 8.5984 112.6302 53.8800 33.8095 178.4604 160 Q 4.1679 8.3565 119.7393 59.5558 28.2836 177.8174 161 V 3.5362 7.7948 119.4167 64.4346 31.3491 177.6749 162 L 3.9829 8.3145 119.9250 56.7689 41.4846 178.9615 163 V 3.4232 7.7489 119.3833 66.2216 31.3752 178.2829 164 S 4.0152 7.8037 113.0528 61.1894 62.8350 176.4728 165 R 3.2503 7.3727 121.0968 58.9664 29.8501 178.5552 166 I 2.9260 6.7614 119.1821 64.3221 37.0334 178.3432 167 A 3.9439 7.6824 121.0412 54.8718 18.1399 179.6340 168 A 3.8985 7.5614 119.3917 55.0237 18.3974 179.8506 169 W 4.3845 8.0496 117.8711 60.2216 28.9589 178.7251 170 M 4.4760 8.4983 118.7598 58.5579 31.3856 178.7173 171 A 4.1217 8.5510 121.3588 55.4857 18.4912 179.8823 172 T 3.9018 8.6341 114.8071 66.8746 68.4537 176.4146 173 Y 3.9468 8.6331 121.7095 60.4726 38.9551 177.5309 174 L 3.8846 8.4606 121.4758 58.3737 41.9860 178.7725 175 N 4.3240 8.1998 114.9123 56.3613 38.6171 176.5670 176 D 4.4886 7.9403 118.1166 55.3417 41.4856 176.9587 177 H 4.6740 7.8804 113.4467 54.8677 30.5889 174.6875 178 L 4.3500 7.2466 117.8168 54.4012 43.4460 177.9151 179 E 3.9334 7.9102 119.6140 58.7941 29.5149 176.9145 180 P 4.1855 0.0000 0.0000 65.3407 31.3982 178.1786 181 W 3.9527 8.1061 126.4535 60.5216 30.5229 177.6716 182 I 3.3384 7.9821 119.6203 64.4237 36.3463 178.1281 183 Q 3.9292 7.9892 119.0683 59.2890 28.9824 177.8093 184 E 3.9975 8.2692 119.1470 57.9625 29.6278 177.2263 185 N 4.6473 7.4591 115.8803 52.6402 39.7595 175.4341 186 G 4.1875 7.4160 106.5651 45.5901 0.0000 175.2405 187 G 4.0218 8.5904 111.3551 44.3665 0.0000 174.9538 188 W 4.4460 8.6496 116.7330 59.3772 28.8167 178.4700 189 D 4.5617 8.3305 119.0104 57.3178 40.4367 178.5917 190 T 3.8240 7.8562 116.1812 66.5205 68.5074 176.1406 191 F 3.2191 7.7839 122.0381 61.2402 39.0296 177.1917 192 V 3.5427 7.7783 117.4499 65.9440 31.0751 177.8538 193 E 3.8949 7.7829 117.3546 59.4841 29.4090 179.0909 194 L 3.9557 8.0048 118.1464 56.8880 41.7680 177.5334 195 Y 4.3549 7.7374 113.1996 57.1944 39.1488 176.2288 196 G 3.7122 7.9561 109.6514 46.0571 0.0000 172.7142 197 N 4.1816 8.5785 114.0538 54.5631 36.0411 174.5038 198 N 4.5863 7.9805 119.5371 53.4602 38.9931 174.8709 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 2 S 8.33 4.41 0.00 3.83 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 3 Q 7.60 4.07 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 4 S 8.85 4.07 0.00 3.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.60 4.29 0.00 2.75 2.82 0.00 0.00 6.64 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 6 R 8.07 3.86 0.00 1.91 1.94 0.00 3.25 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 7 E 7.92 3.90 0.00 2.13 1.93 0.00 0.00 0.00 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 2.32 0.00 8 L 7.57 3.92 0.00 1.83 1.68 0.89 1.05 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 9 V 8.04 3.55 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 1.00 0.00 0.00 0.94 0.00 0.00 10 V 7.68 2.88 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 -0.21 0.00 0.00 0.64 0.00 0.00 11 D 8.08 4.13 0.00 2.75 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 12 F 8.41 4.02 0.00 3.20 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 13 L 8.22 4.15 0.00 1.80 1.94 1.11 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.16 4.29 0.00 4.00 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 15 Y 8.14 4.16 0.00 2.93 2.89 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 16 K 7.66 3.87 0.00 1.70 1.81 0.00 1.56 0.00 0.00 1.35 0.00 0.00 2.64 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.86 1.40 7.81 17 L 8.31 4.29 0.00 2.03 1.89 1.19 0.99 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 18 S 8.12 4.87 0.00 4.07 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 0.00 19 Q 7.87 4.08 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 1.97 1.85 0.00 20 K 7.84 4.28 0.00 1.67 1.48 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.53 7.81 21 G 7.90 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 22 Y 7.03 4.83 0.00 3.20 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 23 S 8.29 4.97 0.00 4.02 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 24 W 9.17 4.31 0.00 3.48 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 25 S 7.69 4.49 0.00 4.05 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 26 Q 8.71 3.83 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.53 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 *83 M 8.06 4.37 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 84 A 7.84 4.13 1.57 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 0.00 0.00 85 A 8.02 4.01 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 86 V 8.00 3.66 2.13 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 0.62 0.00 0.00 1.07 0.00 0.00 87 K 8.46 3.79 0.00 1.92 1.80 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.55 7.81 88 Q 8.17 3.98 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 89 A 8.21 3.97 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 90 L 8.25 4.05 0.00 1.68 1.64 0.52 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.09 3.93 0.00 2.07 2.00 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 92 E 8.32 4.03 0.00 2.30 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 0.00 2.37 2.43 0.00 93 A 8.77 4.32 1.51 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 0.00 0.00 94 G 8.70 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 95 D 8.22 4.43 0.00 2.97 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 96 E 8.38 4.01 0.00 2.20 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 2.42 2.48 0.00 97 F 8.87 4.08 0.00 3.33 3.35 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 98 E 8.84 4.19 0.00 2.19 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 0.00 2.51 2.72 0.00 99 L 7.80 4.02 0.00 1.97 1.88 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.05 4.13 0.00 1.69 1.87 0.00 3.46 0.00 0.00 3.31 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 101 Y 7.40 4.20 0.00 2.90 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 0.00 102 R 8.25 4.38 0.00 2.09 2.21 0.00 3.16 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 103 R 7.77 3.96 0.00 1.79 1.93 0.00 3.11 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 104 A 7.30 4.05 0.28 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 0.00 105 F 8.09 4.87 0.00 2.42 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 0.00 106 S 9.21 4.69 0.00 3.94 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 0.00 107 D 7.96 4.32 0.00 2.96 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 0.00 108 L 8.52 4.25 0.00 1.54 0.81 0.82 0.53 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 0.00 109 T 7.64 3.74 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 1.40 0.00 0.00 110 S 5.95 4.18 0.00 3.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.88 4.76 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 112 L 7.66 4.03 0.00 1.67 1.58 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.12 4.69 0.00 3.17 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.27 4.45 1.91 0.00 0.00 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 1.51 0.83 0.96 0.00 0.00 115 T 8.07 4.78 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 1.25 0.00 0.00 116 P 0.00 4.40 0.00 2.08 2.22 0.00 3.71 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 2.06 2.20 0.00 117 G 8.19 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 0.00 0.00 0.00 118 T 7.80 4.66 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 1.25 0.00 0.00 119 A 8.26 4.08 1.69 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 0.00 0.00 120 Y 7.96 2.84 0.00 2.33 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 0.00 121 Q 8.04 3.82 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 122 S 7.99 4.03 0.00 4.15 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 0.00 123 F 8.46 4.24 0.00 3.22 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 0.00 124 E 8.26 3.66 0.00 1.16 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 2.23 0.00 125 Q 7.96 3.82 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 126 V 7.43 3.21 1.52 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 -0.20 0.00 0.00 0.62 0.00 0.00 127 V 7.37 3.27 1.52 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 0.19 0.00 0.00 0.16 0.00 0.00 128 N 8.18 4.38 0.00 2.80 2.82 0.00 0.00 6.60 8.07 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 0.00 129 E 7.76 3.87 0.00 1.91 1.94 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 2.20 2.22 0.00 130 L 7.62 3.80 0.00 1.30 1.27 0.57 0.17 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 0.00 131 F 7.36 5.09 0.00 3.06 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 0.00 132 R 7.36 3.94 0.00 1.89 1.94 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 133 D 8.63 4.77 0.00 2.78 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 0.00 134 G 6.76 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 0.00 0.00 0.00 0.00 135 V 7.55 4.36 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 0.00 0.00 -0.96 0.00 0.00 0.57 0.00 0.00 136 N 7.51 4.27 0.00 3.09 2.84 0.00 0.00 6.17 8.88 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 0.00 137 W 8.86 4.47 0.00 3.88 3.63 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 0.00 138 G 8.63 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 0.00 139 R 8.77 3.90 0.00 1.90 1.48 0.00 3.09 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 1.52 1.78 0.00 140 I 7.69 3.99 2.16 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 1.25 1.01 1.28 0.00 0.00 141 V 8.43 3.76 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 1.04 0.00 0.00 1.04 0.00 0.00 142 A 7.94 2.62 1.26 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 0.00 143 F 8.49 4.11 0.00 3.23 3.49 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 0.00 144 F 8.41 3.84 0.00 3.34 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 0.00 145 S 8.24 4.23 0.00 3.67 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 0.00 146 F 8.45 4.25 0.00 3.01 3.12 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 0.00 147 G 7.93 3.44 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 0.00 148 G 8.43 3.63 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 0.00 149 A 8.15 3.99 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 0.00 150 L 7.68 3.82 0.00 1.67 1.56 0.78 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.00 4.03 0.00 3.07 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 0.00 152 V 7.85 3.57 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 1.09 0.00 0.00 0.95 0.00 0.00 153 E 8.25 3.94 0.00 2.27 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 2.34 2.52 0.00 154 S 8.18 4.11 0.00 3.96 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 0.00 155 V 7.95 3.66 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 1.01 0.00 0.00 0.89 0.00 0.00 156 D 8.22 4.40 0.00 2.84 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 0.00 157 K 8.10 4.39 0.00 1.70 1.82 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.62 7.81 158 E 7.79 3.85 0.00 2.05 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 2.24 2.25 0.00 159 M 8.60 4.91 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.44 0.00 160 Q 8.36 4.17 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 161 V 7.79 3.54 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 0.79 0.00 0.00 0.89 0.00 0.00 162 L 8.31 3.98 0.00 1.66 1.62 0.97 0.72 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 0.00 163 V 7.75 3.42 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 0.95 0.00 0.00 0.87 0.00 0.00 164 S 7.80 4.02 0.00 3.96 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 0.00 165 R 7.37 3.25 0.00 1.14 0.74 0.00 3.05 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 166 I 6.76 2.93 1.69 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 1.41 0.09 0.76 0.00 0.00 167 A 7.68 3.94 1.24 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 0.00 0.00 0.00 168 A 7.56 3.90 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 0.00 169 W 8.05 4.38 0.00 2.67 2.43 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 0.00 0.00 0.00 0.00 170 M 8.50 4.48 0.00 1.92 2.19 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.37 0.00 171 A 8.55 4.12 1.39 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 0.00 172 T 8.63 3.90 4.62 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 1.32 0.00 0.00 173 Y 8.63 3.95 0.00 3.60 3.41 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 0.00 174 L 8.46 3.88 0.00 2.24 1.94 1.10 1.07 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 0.00 175 N 8.20 4.32 0.00 2.89 2.87 0.00 0.00 7.09 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 0.00 176 D 7.94 4.49 0.00 2.29 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 0.00 177 H 7.88 4.67 0.00 1.72 2.59 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.25 4.35 0.00 1.56 1.47 -0.30 0.10 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 0.00 179 E 7.91 3.93 0.00 2.36 1.92 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 2.35 2.43 0.00 180 P 0.00 4.19 0.00 2.18 2.06 0.00 3.59 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 2.06 2.11 0.00 181 W 8.11 3.95 0.00 3.24 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 0.00 182 I 7.98 3.34 1.96 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.69 0.00 0.00 183 Q 7.99 3.93 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 184 E 8.27 4.00 0.00 1.92 1.84 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 2.12 2.22 0.00 185 N 7.46 4.65 0.00 1.44 1.98 0.00 0.00 7.28 7.97 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 0.00 186 G 7.42 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 0.00 0.00 0.00 187 G 8.59 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 0.00 188 W 8.65 4.45 0.00 3.55 3.35 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 0.00 189 D 8.33 4.56 0.00 2.77 2.78 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 0.00 190 T 7.86 3.82 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 1.28 0.00 0.00 191 F 7.78 3.22 0.00 1.51 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 0.00 192 V 7.78 3.54 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 1.09 0.00 0.00 1.15 0.00 0.00 193 E 7.78 3.89 0.00 2.13 1.94 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 2.32 2.34 0.00 194 L 8.00 3.96 0.00 1.48 1.33 0.96 0.68 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 0.00 195 Y 7.74 4.35 0.00 1.84 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 0.00 196 G 7.96 3.71 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 0.00 0.00 0.00 197 N 8.58 4.18 0.00 2.82 2.87 0.00 0.00 6.77 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 0.00 198 N 7.98 4.59 0.00 2.71 2.71 0.00 0.00 6.67 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.