NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 P 4.2520 0.0000 0.0000 62.3460 32.6153 175.7897 *3 S 4.2832 8.2246 115.3621 58.9865 65.2463 174.6869 4 R 3.8722 8.3963 122.2670 59.7050 29.9035 178.8703 5 L 3.9590 8.6734 120.1732 57.9145 42.1596 178.5415 6 K 3.9488 8.0710 119.6777 60.0319 32.0833 178.6146 7 T 3.9537 8.0177 115.5151 66.8423 68.4278 176.3999 8 A 4.0920 7.8175 122.4138 55.0824 18.3449 179.9442 9 V 3.5658 8.3893 117.2086 66.3223 31.2285 177.9931 10 Y 3.8850 8.3101 116.4386 61.2486 37.7821 177.9787 11 D 4.5450 8.4292 119.8432 57.7184 40.7994 178.4297 12 Y 4.0970 8.1897 119.8771 60.7955 38.6068 178.0986 13 L 3.9794 7.9320 118.7878 57.2884 41.8911 178.3721 14 N 4.5296 8.7234 114.6773 52.6798 39.6852 173.9669 15 D 4.2257 7.6264 118.5631 54.9231 39.5851 174.0619 16 V 3.8090 7.7733 118.1774 62.7739 32.5883 175.0602 17 D 4.5859 8.4635 125.3358 53.9391 41.6768 176.4069 18 I 3.8209 8.7117 124.7477 64.7717 37.2880 176.2863 19 T 3.8384 7.7643 113.0956 63.3269 67.5878 173.1638 20 E 3.7317 8.8535 127.2318 58.0664 26.8619 173.9337 21 C 4.7914 7.7104 118.8665 57.5808 33.5991 174.1514 22 T 4.2042 8.6578 115.5484 62.7281 68.6202 173.7875 23 E 4.5514 8.0837 122.1357 55.1119 33.2117 175.9553 *25 D 4.5956 8.6529 122.5878 54.1769 43.2638 177.5343 26 L 4.0481 7.7881 119.9743 57.6579 42.0411 177.8172 27 L 3.9276 7.9606 120.3386 58.8884 41.8961 178.3183 28 C 3.7597 8.1961 114.7281 63.8231 28.0801 175.9111 29 Q 3.8510 8.3145 117.9223 59.5317 28.5594 179.5661 30 L 3.6713 8.1382 120.4514 58.5798 42.2869 179.4606 31 S 4.2063 8.3028 112.9727 60.8010 62.3698 175.8963 32 N 4.3247 8.5429 119.8906 56.5465 38.3305 176.3734 33 C 4.2726 8.3429 119.9079 59.9118 41.1284 175.5379 34 C 4.1269 7.9286 117.6630 63.0277 27.8138 175.4993 35 D 4.3890 8.2385 120.4395 57.5638 40.4165 178.6841 36 F 3.8780 8.7213 121.1493 61.8191 39.3051 176.6697 37 I 4.0406 8.4953 119.1540 64.6933 36.6523 177.7810 38 N 3.7249 8.2180 117.2085 56.8800 38.7053 176.9328 39 E 3.8987 7.7198 118.2985 59.8649 29.7255 179.2994 40 T 3.6949 7.7357 114.5049 65.3343 68.3878 174.5164 41 Y 4.8605 8.7546 119.5061 56.8177 39.1683 177.7243 42 A 4.2138 8.5092 124.8776 55.1347 18.4558 179.1682 43 K 3.8283 8.3090 115.1135 60.5625 32.0389 178.6593 44 N 4.2659 8.1050 115.1908 56.8847 38.9696 177.0412 45 Y 4.0276 7.6392 117.5643 61.2367 37.9943 178.7778 46 D 4.3910 8.6433 120.3714 57.7613 41.1797 178.9774 47 T 4.1171 7.8760 110.0177 64.4573 68.5090 176.4204 48 L 3.8907 8.4433 123.2019 58.2611 42.2659 177.9223 49 Y 4.1471 7.7725 117.7077 60.8391 38.7829 177.2668 50 D 4.8508 8.1531 118.9553 56.8308 41.0997 177.5139 51 I 4.2166 7.3312 111.8780 61.2750 39.3230 176.7013 *53 E 4.0426 8.1111 122.4258 57.3694 31.4117 177.2322 54 R 3.9673 8.2807 116.1485 59.8948 30.2606 178.2045 55 D 4.5073 7.9658 117.5699 57.7636 40.8207 177.7288 56 I 3.7537 7.5703 120.9961 62.6226 37.0300 175.7272 57 L 4.1736 7.0654 122.1292 56.8049 42.4369 176.9470 58 S 4.4108 8.7833 115.7030 57.0088 62.2513 168.1091 59 Y 3.5447 7.6789 119.1326 58.8615 37.5217 171.1497 60 N 4.6859 8.6221 118.2828 51.8578 36.2436 173.4223 61 I 3.6259 7.5149 125.5819 64.0850 37.6643 177.5709 62 V 3.5469 7.7025 118.3358 66.3150 31.3828 177.6293 63 N 4.5160 8.0609 114.7682 56.2673 38.2469 177.5319 64 I 3.6776 7.5878 120.9921 64.3022 37.1928 178.2774 65 K 4.0131 8.4208 119.4068 59.7451 31.7536 178.6961 66 N 4.3235 8.3929 115.4603 56.9903 38.7178 176.9804 67 T 4.0132 8.1289 116.7528 67.0598 68.4266 176.7256 68 L 4.0919 7.9688 119.1365 57.8035 42.0034 179.2913 69 T 4.1080 8.8070 115.7207 65.2949 68.1186 176.4334 70 F 4.1201 7.8239 122.5909 60.8882 39.5251 175.8833 71 A 4.4756 7.9822 118.5769 52.5728 19.1666 177.8312 72 L 4.4602 7.4463 121.0164 58.0502 43.2632 178.9501 73 R 3.9888 7.9646 116.2578 59.3210 30.3032 177.4174 74 D 4.3358 8.1904 114.9862 56.6093 42.4470 177.0363 75 A 3.3848 7.6499 122.5400 52.7858 17.5289 176.4726 76 S 4.8015 8.2960 110.4902 57.8267 64.2941 177.0722 77 P 3.7543 0.0000 0.0000 65.4476 30.8387 179.0013 78 S 3.6419 7.4297 112.7620 61.4451 63.4270 176.6855 79 V 3.5934 7.1903 121.3448 65.0122 30.8221 178.0952 80 K 4.0052 8.2021 118.6738 58.8276 31.5849 178.9199 81 L 4.2324 7.1462 117.7525 56.5791 42.0519 178.7194 82 A 4.9127 7.6784 122.0072 55.1688 18.3468 179.5942 83 T 3.8459 7.7175 113.7062 66.9411 68.6276 176.5964 84 L 3.9519 7.6596 120.3607 57.9064 41.9129 179.2738 85 T 3.9528 8.2334 116.5810 66.3975 68.4037 176.1956 86 L 4.0455 8.2026 121.7684 58.3472 42.0586 178.2741 87 L 3.6873 8.5888 120.1998 58.2365 41.8766 178.6520 88 A 3.9603 7.8104 119.7673 55.4787 18.4909 179.6203 89 S 4.0614 7.8283 112.9224 61.7927 63.0022 177.1588 90 V 3.5998 8.0340 121.0328 66.2092 31.1175 177.9866 91 I 3.7982 8.3218 118.2528 63.3847 37.6051 177.0370 92 K 4.3989 7.7494 117.4183 56.9955 31.9044 177.7224 93 K 4.5727 7.6457 117.4535 57.1662 33.9720 178.0844 94 L 4.2466 7.9741 119.4636 57.6171 41.6643 178.6113 95 N 5.3054 7.8521 116.7554 55.4199 38.3548 177.5635 96 K 4.0710 8.0351 118.7673 59.4354 32.2396 178.9392 97 I 3.9026 7.5337 118.7334 61.7153 37.7267 176.3663 98 Q 4.8032 7.1368 123.5373 55.4730 32.4811 171.9750 99 H 4.5275 8.9065 124.0536 57.3372 30.0394 174.5117 100 T 4.5578 10.0711 123.3996 61.8692 71.4330 173.2525 101 D 4.6845 8.6693 126.1815 53.2328 42.1594 175.9604 102 A 4.1302 10.0908 129.5844 55.3616 19.0934 178.3089 103 A 4.4835 8.0654 120.9053 52.7292 17.3738 178.4599 *105 F 4.8068 7.7521 117.7028 57.7958 40.9083 179.1528 106 S 3.8577 7.3781 115.4015 62.4361 62.9091 175.4164 107 E 4.0718 8.3118 120.4786 60.1119 29.4384 179.5652 108 V 3.6522 7.9508 117.0613 66.2904 31.2895 178.2249 109 I 3.6392 7.9249 118.9935 64.4982 37.2890 177.4431 110 D 4.6723 8.4414 120.1269 57.8010 40.6642 179.0612 111 G 3.6574 8.0992 105.7451 48.1181 0.0000 175.5990 112 I 3.8149 7.9266 123.1039 62.5402 37.2962 177.1721 113 V 4.2802 7.2172 115.7229 60.8666 32.9788 176.0956 114 A 3.9288 7.7566 123.9401 53.6847 19.3230 176.4977 115 E 3.5801 8.6236 118.1334 56.8907 26.0474 174.6129 116 E 3.8936 8.0424 123.6449 60.1677 30.1398 178.1010 117 Q 4.3021 8.0149 116.6698 58.4740 28.8407 178.5811 118 Q 4.0322 7.9688 119.2793 58.7168 28.9603 178.4015 119 V 3.5883 8.0169 119.4194 66.0090 31.6333 178.1370 120 I 3.8474 8.4783 120.0882 64.2081 36.9482 178.4154 121 G 3.7531 8.0598 106.5333 48.0793 0.0000 175.4535 122 F 4.2020 8.2239 123.6933 60.7687 39.1561 177.2726 123 I 3.6660 7.8768 118.6632 64.3322 36.9779 178.2435 124 Q 4.0630 7.9394 117.5935 58.8715 28.8466 178.1788 125 K 4.3105 8.2877 117.6405 57.6971 32.5015 177.9345 126 K 4.5321 7.4741 116.9812 56.2823 33.7680 175.3867 127 C 4.5729 7.7121 116.9338 56.2532 44.1152 174.0351 128 K 3.3870 7.6184 116.2082 59.1286 33.9821 178.0605 129 Y 3.7559 7.5029 117.4201 56.7131 35.6278 172.6190 130 N 4.2131 8.4788 129.9631 54.6267 39.1743 176.1512 *131 T 4.1515 8.2468 109.7854 61.4677 69.2562 170.1154 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 0 P 0.00 4.25 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 *3 S 8.22 4.28 0.00 4.20 4.06 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 4 R 8.40 3.87 0.00 2.06 2.07 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.07 0.00 5 L 8.67 3.96 0.00 1.83 1.68 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.07 3.95 0.00 2.01 2.12 0.00 2.02 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.86 7.81 7 T 8.02 3.95 4.44 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 1.30 0.00 0.00 8 A 7.82 4.09 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 9 V 8.39 3.57 2.22 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 0.93 0.00 0.00 0.91 0.00 0.00 10 Y 8.31 3.88 0.00 3.12 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 11 D 8.43 4.54 0.00 2.87 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 12 Y 8.19 4.10 0.00 3.15 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 13 L 7.93 3.98 0.00 1.76 1.69 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.72 4.53 0.00 2.79 2.93 0.00 0.00 7.00 7.93 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 15 D 7.63 4.23 0.00 2.67 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 16 V 7.77 3.81 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 0.88 0.00 0.00 1.03 0.00 0.00 17 D 8.46 4.59 0.00 2.72 2.59 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 18 I 8.71 3.82 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 1.34 0.70 0.93 0.00 0.00 19 T 7.76 3.84 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 1.22 0.00 0.00 20 E 8.85 3.73 0.00 2.16 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 0.00 2.21 2.35 0.00 21 C 7.71 4.79 0.00 2.91 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 22 T 8.66 4.20 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 1.22 0.00 0.00 23 E 8.08 4.55 0.00 2.03 1.85 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 2.24 2.59 0.00 *25 D 8.65 4.60 0.00 2.82 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 26 L 7.79 4.05 0.00 1.77 1.75 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.96 3.93 0.00 1.83 1.69 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.20 3.76 0.00 3.17 2.96 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 29 Q 8.31 3.85 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 30 L 8.14 3.67 0.00 2.02 1.59 0.87 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.30 4.21 0.00 4.21 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 32 N 8.54 4.32 0.00 2.84 2.84 0.00 0.00 6.53 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 33 C 8.34 4.27 0.00 2.92 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 34 C 7.93 4.13 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 35 D 8.24 4.39 0.00 2.91 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 36 F 8.72 3.88 0.00 3.08 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 37 I 8.50 4.04 2.11 0.00 0.00 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 1.86 1.32 1.28 0.00 0.00 38 N 8.22 3.72 0.00 2.81 2.71 0.00 0.00 7.38 7.80 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 39 E 7.72 3.90 0.00 1.89 1.79 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 2.25 2.31 0.00 40 T 7.74 3.69 3.67 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 0.52 0.00 0.00 41 Y 8.75 4.86 0.00 3.47 3.29 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 0.00 42 A 8.51 4.21 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 43 K 8.31 3.83 0.00 1.93 1.91 0.00 1.59 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.67 7.81 44 N 8.11 4.27 0.00 2.57 2.70 0.00 0.00 6.91 7.48 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 45 Y 7.64 4.03 0.00 3.17 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 46 D 8.64 4.39 0.00 3.07 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 47 T 7.88 4.12 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 1.26 0.00 0.00 48 L 8.44 3.89 0.00 1.70 1.73 0.78 1.03 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 49 Y 7.77 4.15 0.00 3.13 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 50 D 8.15 4.85 0.00 3.03 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 51 I 7.33 4.22 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.52 0.89 0.00 0.00 *53 E 8.11 4.04 0.00 2.26 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 2.30 2.27 0.00 54 R 8.28 3.97 0.00 1.80 2.01 0.00 3.26 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 55 D 7.97 4.51 0.00 2.63 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 56 I 7.57 3.75 1.77 0.00 0.00 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 1.34 0.47 0.83 0.00 0.00 57 L 7.07 4.17 0.00 1.74 1.66 0.97 0.93 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 58 S 8.78 4.41 0.00 4.02 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 0.00 59 Y 7.68 3.54 0.00 3.07 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 60 N 8.62 4.69 0.00 2.77 2.88 0.00 0.00 7.27 6.88 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 61 I 7.51 3.63 1.70 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.42 0.49 0.00 0.00 62 V 7.70 3.55 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 0.89 0.00 0.00 0.91 0.00 0.00 63 N 8.06 4.52 0.00 2.90 2.85 0.00 0.00 7.15 7.10 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 64 I 7.59 3.68 2.18 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.91 0.00 0.00 65 K 8.42 4.01 0.00 1.98 1.93 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.71 1.76 7.81 66 N 8.39 4.32 0.00 2.65 2.95 0.00 0.00 7.16 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 67 T 8.13 4.01 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 1.15 0.00 0.00 68 L 7.97 4.09 0.00 1.61 1.71 0.70 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.81 4.11 4.52 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 0.00 0.00 0.00 1.22 0.00 0.00 70 F 7.82 4.12 0.00 3.07 3.15 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 0.00 0.00 0.00 71 A 7.98 4.48 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 72 L 7.45 4.46 0.00 1.78 1.69 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.96 3.99 0.00 1.75 1.95 0.00 3.17 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 74 D 8.19 4.34 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 75 A 7.65 3.38 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 76 S 8.30 4.80 0.00 3.95 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 77 P 0.00 3.75 0.00 1.73 1.89 0.00 3.50 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 2.10 2.13 0.00 78 S 7.43 3.64 0.00 4.03 4.17 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 79 V 7.19 3.59 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 1.05 0.00 0.00 0.88 0.00 0.00 80 K 8.20 4.01 0.00 1.66 1.92 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.43 7.81 81 L 7.15 4.23 0.00 1.69 1.83 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.68 4.91 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 83 T 7.72 3.85 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 1.22 0.00 0.00 84 L 7.66 3.95 0.00 1.77 1.65 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.23 3.95 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 1.00 0.00 0.00 86 L 8.20 4.05 0.00 2.14 1.81 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.59 3.69 0.00 1.86 1.60 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.81 3.96 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 89 S 7.83 4.06 0.00 4.08 4.09 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 90 V 8.03 3.60 2.00 0.00 0.00 0.00 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 0.85 0.00 0.00 91 I 8.32 3.80 1.74 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 1.59 1.50 0.96 0.00 0.00 92 K 7.75 4.40 0.00 1.84 1.82 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.41 1.41 7.81 93 K 7.65 4.57 0.00 2.11 2.11 0.00 1.44 0.00 0.00 2.00 0.00 0.00 3.26 0.00 0.00 3.67 0.00 0.00 0.00 0.00 1.56 1.66 7.81 94 L 7.97 4.25 0.00 1.77 2.01 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.85 5.31 0.00 2.95 2.89 0.00 0.00 7.13 6.82 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 96 K 8.04 4.07 0.00 1.77 1.91 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.56 7.81 97 I 7.53 3.90 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.86 0.00 0.00 98 Q 7.14 4.80 0.00 1.88 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.90 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 99 H 8.91 4.53 0.00 3.14 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 10.07 4.56 4.35 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 1.36 0.00 0.00 101 D 8.67 4.68 0.00 2.71 2.64 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 0.00 102 A 10.09 4.13 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 0.00 103 A 8.07 4.48 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 *105 F 7.75 4.81 0.00 3.31 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 0.00 106 S 7.38 3.86 0.00 4.11 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 0.00 107 E 8.31 4.07 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 2.42 2.47 0.00 108 V 7.95 3.65 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 1.07 0.00 0.00 1.12 0.00 0.00 109 I 7.92 3.64 1.98 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.77 0.00 0.00 110 D 8.44 4.67 0.00 2.92 2.77 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 0.00 111 G 8.10 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 0.00 112 I 7.93 3.81 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.55 0.93 0.00 0.00 113 V 7.22 4.28 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 0.74 0.00 0.00 0.94 0.00 0.00 114 A 7.76 3.93 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 0.00 115 E 8.62 3.58 0.00 2.20 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 0.00 2.27 2.26 0.00 116 E 8.04 3.89 0.00 2.03 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 2.40 2.46 0.00 117 Q 8.01 4.30 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 118 Q 7.97 4.03 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 119 V 8.02 3.59 2.20 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 1.01 0.00 0.00 0.99 0.00 0.00 120 I 8.48 3.85 1.95 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 1.47 0.75 0.92 0.00 0.00 121 G 8.06 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 0.00 122 F 8.22 4.20 0.00 3.25 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 0.00 123 I 7.88 3.67 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.91 0.89 0.00 0.00 124 Q 7.94 4.06 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 125 K 8.29 4.31 0.00 1.63 1.82 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.60 7.81 126 K 7.47 4.53 0.00 1.37 1.55 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.34 7.81 127 C 7.71 4.57 0.00 1.71 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 0.00 128 K 7.62 3.39 0.00 1.68 1.62 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.31 7.81 129 Y 7.50 3.76 0.00 3.25 3.30 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 0.00 130 N 8.48 4.21 0.00 2.76 2.89 0.00 0.00 7.02 7.54 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 *131 T 8.25 4.15 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 * Residues marked with a * may have inaccurate shift predictions.