NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3153 8.3344 117.1041 57.7411 61.7862 171.2741 *2 F 3.1015 7.9683 127.4151 57.9937 39.9740 174.4470 3 N 3.9367 7.9686 124.4607 54.1673 37.1166 172.3507 4 N 4.8234 7.0697 114.1543 51.1194 40.2869 175.0141 5 E 4.0800 8.6707 124.7289 58.8699 30.1060 178.4852 6 L 4.0927 8.2270 123.6196 54.1426 40.8056 176.8536 *8 A 3.9232 7.7872 119.8807 52.0963 19.6569 176.5348 9 D 5.0225 8.3091 120.9643 52.9219 40.5284 176.4997 10 V 4.5810 7.2228 118.2884 60.7797 35.1379 173.1472 11 H 5.2713 9.1175 119.8553 54.0544 32.4208 172.3928 12 F 5.1357 9.2915 121.4915 55.7223 41.8756 174.8249 13 V 4.4904 9.1609 124.4808 61.5964 32.6354 174.2933 14 V 4.6422 8.8783 129.4024 62.0086 34.0690 175.1407 15 G 4.1497 8.9292 113.1870 43.3944 0.0000 170.9512 16 P 4.5273 0.0000 0.0000 61.7105 31.7518 174.6615 17 P 4.3241 0.0000 0.0000 64.6890 31.5431 176.7897 18 G 4.0058 10.3737 111.1515 45.4330 0.0000 173.4374 19 A 4.6389 7.9331 123.3803 51.0125 19.2271 175.6195 20 T 4.8107 7.7221 110.8911 61.2031 71.7794 174.7426 21 R 4.6992 8.9243 121.6498 54.9432 33.7603 173.6365 22 T 5.0881 8.5783 122.0404 62.1677 70.3542 174.1698 23 V 4.5609 8.9260 126.3922 60.3363 34.4575 173.0067 24 P 4.7654 0.0000 0.0000 63.0482 32.7255 174.9717 25 A 4.7431 8.8043 122.5301 51.6594 23.9588 174.4283 26 H 5.1395 8.9824 115.5342 53.9022 31.0663 175.6750 27 K 3.3729 9.2595 124.4104 59.4021 31.8271 178.4619 28 Y 4.1868 8.1419 119.2123 60.9910 38.5350 178.4734 29 V 3.3495 7.7783 118.2848 65.8256 31.4113 177.8096 30 L 3.8489 7.4734 117.2148 57.7954 41.2484 179.1146 31 A 4.5454 8.5151 121.0644 55.2047 18.1146 179.8833 32 V 3.5330 7.5376 116.3566 65.6082 31.6606 177.7257 33 G 3.9393 7.6103 102.8817 44.3848 0.0000 173.6022 34 S 4.6543 7.4934 115.1134 55.9248 65.9995 175.2628 35 S 4.2227 8.8462 123.2768 61.3102 62.5457 176.8139 36 V 3.6062 7.6529 121.0361 65.9614 31.5050 177.5886 37 F 4.4231 7.9278 116.5071 60.4034 38.9522 176.7005 38 Y 4.5761 8.6054 119.3931 60.7546 38.3418 179.1251 39 A 4.0671 7.8509 116.6860 53.1365 18.4560 178.1315 *41 F 4.9202 8.0069 120.7406 58.6547 41.2755 175.1047 42 Y 4.5263 7.9141 117.1478 56.7391 38.2350 175.2444 *49 K 4.0809 7.6873 118.9738 56.6411 33.6246 174.8700 50 S 4.6769 8.4136 117.6044 58.0449 65.1618 172.7501 51 E 4.9605 8.1429 120.9132 54.3725 31.8232 174.6469 52 I 4.5835 8.6885 128.4496 59.8490 40.0930 174.2665 53 H 5.1865 9.0013 124.2726 54.3117 30.3399 175.4916 54 I 4.7341 8.8589 117.8568 58.3745 36.6449 174.3352 55 P 5.0676 0.0000 0.0000 65.2116 31.9316 177.8617 56 D 4.5499 8.0677 116.8395 53.6403 39.8062 176.0279 57 V 4.4637 7.3888 120.3643 61.0275 33.8349 174.1121 58 E 4.4504 8.6165 126.0463 55.3151 30.7888 175.8402 59 P 4.3304 0.0000 0.0000 66.0475 31.5616 178.4643 60 A 4.0773 8.1307 118.4332 55.1411 18.2937 179.4171 61 A 4.0091 8.0313 118.8397 55.2984 18.5577 179.4328 62 F 4.2282 8.7289 119.5355 61.5058 39.3504 177.4076 63 L 4.2027 8.2863 118.7695 57.7839 41.4932 179.4992 64 I 3.6755 7.7515 119.4588 64.0557 36.7862 178.1675 65 L 3.9667 7.8339 120.2546 58.2428 42.0406 178.7447 66 L 4.1158 7.6123 117.5110 57.6516 41.7966 178.9311 67 K 3.0464 7.9529 119.7081 59.2318 31.9050 178.7474 68 Y 4.7854 7.4568 117.5260 57.9961 38.3163 177.1483 *70 Y 4.4684 7.8289 117.5911 56.7758 39.7766 176.1280 71 S 4.5111 8.0235 110.9273 57.0496 64.5549 174.1718 72 D 4.0426 8.0664 119.5008 54.9719 38.8484 172.8349 73 E 4.5656 7.8803 119.0386 54.9015 30.8343 175.2508 74 I 4.4339 8.3252 123.5146 59.6827 38.9822 175.1177 75 D 4.7327 8.5634 125.5466 52.4673 41.8014 175.1485 76 L 4.5313 8.0148 123.1531 52.9157 44.1717 175.8475 77 E 4.7375 7.7162 117.7720 54.4605 33.8734 176.6923 78 A 4.2828 8.8583 123.3231 55.4784 18.4765 178.7666 79 D 4.6122 8.0818 113.1544 54.8720 40.1742 177.2780 80 T 4.5442 7.4665 109.2645 61.3445 70.0238 176.0457 81 V 3.4665 7.6611 122.9709 64.9039 31.3080 178.3504 82 L 3.9801 7.8751 118.9106 57.5264 41.6460 179.1658 83 A 4.0894 7.9589 120.2472 55.3805 18.2708 179.6777 84 T 3.8863 8.1951 114.5363 66.6196 68.4361 176.6093 85 L 3.9187 8.2816 122.6563 58.2206 42.0516 178.2056 86 Y 3.9773 8.1803 119.2280 60.8254 38.6761 178.1998 87 A 4.0747 8.2518 121.2070 55.2084 18.4902 179.4843 88 A 4.0061 8.3779 119.6174 55.2003 18.3094 180.1051 89 K 3.8501 8.2258 117.2845 59.2761 31.9061 179.4566 90 K 3.4789 7.7885 119.3349 58.9987 32.0832 177.5101 91 Y 4.2311 7.4639 113.3360 56.3293 39.4978 175.4485 92 I 3.1311 7.1031 119.9179 62.6255 34.7585 175.5687 93 V 4.3363 8.0400 121.2064 60.0486 31.7679 173.8434 94 P 4.2530 0.0000 0.0000 64.8677 31.5646 177.7692 95 A 4.0026 7.9325 119.3505 54.8239 18.3020 179.2736 96 L 3.5285 7.4770 118.2625 57.7965 42.2616 178.6135 97 A 3.9197 7.9379 120.7962 55.0688 18.2205 179.4772 98 K 3.8313 8.4201 118.2305 59.6650 32.2971 178.8379 99 A 3.9813 7.8367 120.6611 55.3305 18.1747 179.5000 100 C 4.1057 7.9531 115.3535 62.9133 28.1432 176.4704 101 V 3.6214 7.8676 119.9027 65.9958 31.1361 177.7048 102 N 4.3097 8.4560 116.5410 56.3330 38.4798 177.0987 103 F 4.0482 8.3975 121.8591 61.2548 39.2800 177.1155 104 L 4.0688 8.0876 117.4646 57.7765 41.6501 178.7587 105 E 4.0631 8.4423 119.3814 59.8076 29.3855 179.0034 106 T 3.8251 7.6820 114.1780 66.6748 68.5106 176.2628 107 S 4.2010 7.5338 115.3670 60.1540 63.0452 174.2731 108 L 4.1376 7.4424 125.7688 55.0948 41.3745 176.7983 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 S 8.33 4.32 0.00 3.65 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 *2 F 7.97 3.10 0.00 2.45 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 3 N 7.97 3.94 0.00 1.44 1.99 0.00 0.00 7.00 7.79 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 4 N 7.07 4.82 0.00 2.88 2.68 0.00 0.00 7.07 7.53 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 5 E 8.67 4.08 0.00 1.99 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 0.00 2.29 2.23 0.00 6 L 8.23 4.09 0.00 1.60 1.75 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 *8 A 7.79 3.92 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.31 5.02 0.00 2.54 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 10 V 7.22 4.58 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 0.69 0.00 0.00 0.55 0.00 0.00 11 H 9.12 5.27 0.00 3.00 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 9.29 5.14 0.00 2.95 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 13 V 9.16 4.49 1.75 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 0.89 0.00 0.00 0.80 0.00 0.00 14 V 8.88 4.64 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 0.95 0.00 0.00 0.59 0.00 0.00 15 G 8.93 4.15 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 0.00 0.00 0.00 16 P 0.00 4.53 0.00 2.19 1.99 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 17 P 0.00 4.32 0.00 2.04 2.03 0.00 3.67 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 2.04 2.13 0.00 18 G 10.37 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 19 A 7.93 4.64 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 20 T 7.72 4.81 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 1.35 0.00 0.00 21 R 8.92 4.70 0.00 1.87 1.78 0.00 3.11 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 22 T 8.58 5.09 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 1.25 0.00 0.00 23 V 8.93 4.56 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 1.21 0.00 0.00 1.08 0.00 0.00 24 P 0.00 4.77 0.00 2.13 2.24 0.00 3.95 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 1.78 1.91 0.00 25 A 8.80 4.74 1.48 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 0.00 0.00 0.00 0.00 0.00 26 H 8.98 5.14 0.00 3.23 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.26 3.37 0.00 1.64 1.38 0.00 1.42 0.00 0.00 0.99 0.00 0.00 2.33 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.02 7.81 28 Y 8.14 4.19 0.00 3.15 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 29 V 7.78 3.35 1.66 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 0.11 0.00 0.00 0.86 0.00 0.00 30 L 7.47 3.85 0.00 1.59 1.22 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.52 4.55 1.73 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 0.00 0.00 32 V 7.54 3.53 1.71 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 0.66 0.00 0.00 0.21 0.00 0.00 33 G 7.61 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 0.00 0.00 0.00 34 S 7.49 4.65 0.00 4.07 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 0.00 35 S 8.85 4.22 0.00 4.12 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 36 V 7.65 3.61 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 0.90 0.00 0.00 37 F 7.93 4.42 0.00 3.36 3.19 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 38 Y 8.61 4.58 0.00 3.29 3.19 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 39 A 7.85 4.07 1.42 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 0.00 0.00 *41 F 8.01 4.92 0.00 3.06 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 42 Y 7.91 4.53 0.00 1.99 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 *49 K 7.69 4.08 0.00 2.01 1.77 0.00 1.84 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 1.32 1.04 7.81 50 S 8.41 4.68 0.00 3.73 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 51 E 8.14 4.96 0.00 1.88 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 2.07 2.23 0.00 52 I 8.69 4.58 1.75 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 1.02 1.10 1.14 0.00 0.00 53 H 9.00 5.19 0.00 3.06 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.86 4.73 1.92 0.00 0.00 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 1.34 0.75 1.11 0.00 0.00 55 P 0.00 5.07 0.00 2.22 2.26 0.00 3.42 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 56 D 8.07 4.55 0.00 2.87 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 57 V 7.39 4.46 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 1.29 0.00 0.00 1.21 0.00 0.00 58 E 8.62 4.45 0.00 2.07 1.90 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 2.37 2.34 0.00 59 P 0.00 4.33 0.00 2.21 2.19 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 60 A 8.13 4.08 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 61 A 8.03 4.01 1.48 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 0.00 0.00 0.00 0.00 0.00 62 F 8.73 4.23 0.00 3.15 3.28 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 63 L 8.29 4.20 0.00 2.04 1.95 1.00 0.75 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 64 I 7.75 3.68 2.01 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 1.40 1.09 0.87 0.00 0.00 65 L 7.83 3.97 0.00 1.65 1.77 1.03 1.01 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 66 L 7.61 4.12 0.00 1.81 2.10 -0.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.95 3.05 0.00 1.03 1.65 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.33 7.81 68 Y 7.46 4.79 0.00 3.17 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 *70 Y 7.83 4.47 0.00 2.89 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 71 S 8.02 4.51 0.00 3.88 3.88 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 0.00 0.00 0.00 0.00 72 D 8.07 4.04 0.00 2.71 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 73 E 7.88 4.57 0.00 2.02 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 2.26 2.24 0.00 74 I 8.33 4.43 1.87 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.82 0.00 0.00 75 D 8.56 4.73 0.00 2.84 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 76 L 8.01 4.53 0.00 0.99 0.71 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 E 7.72 4.74 0.00 2.06 1.80 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 2.19 2.39 0.00 78 A 8.86 4.28 1.41 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 0.00 0.00 79 D 8.08 4.61 0.00 2.82 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 80 T 7.47 4.54 4.22 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 1.21 0.00 0.00 81 V 7.66 3.47 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 1.03 0.00 0.00 0.86 0.00 0.00 82 L 7.88 3.98 0.00 1.73 1.78 0.94 0.85 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 83 A 7.96 4.09 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 84 T 8.20 3.89 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 1.18 0.00 0.00 85 L 8.28 3.92 0.00 1.84 1.89 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.18 3.98 0.00 3.13 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 87 A 8.25 4.07 1.66 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 88 A 8.38 4.01 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 89 K 8.23 3.85 0.00 1.75 1.71 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.55 7.81 90 K 7.79 3.48 0.00 1.14 1.31 0.00 1.56 0.00 0.00 1.15 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.47 0.97 7.81 91 Y 7.46 4.23 0.00 3.02 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 92 I 7.10 3.13 1.86 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 1.10 0.26 0.89 0.00 0.00 93 V 8.04 4.34 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 1.15 0.00 0.00 1.12 0.00 0.00 94 P 0.00 4.25 0.00 2.19 2.06 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 95 A 7.93 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 96 L 7.48 3.53 0.00 0.99 1.57 0.67 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.94 3.92 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 98 K 8.42 3.83 0.00 1.95 1.92 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.33 7.81 99 A 7.84 3.98 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 0.00 100 C 7.95 4.11 0.00 3.15 2.98 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 0.00 0.00 0.00 101 V 7.87 3.62 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 1.13 0.00 0.00 1.00 0.00 0.00 102 N 8.46 4.31 0.00 2.97 2.89 0.00 0.00 6.67 8.93 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 0.00 103 F 8.40 4.05 0.00 3.26 3.19 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 0.00 104 L 8.09 4.07 0.00 1.89 1.77 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.44 4.06 0.00 2.11 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 2.31 2.23 0.00 106 T 7.68 3.83 4.16 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 0.00 0.00 0.00 1.06 0.00 0.00 107 S 7.53 4.20 0.00 3.93 3.84 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 0.00 108 L 7.44 4.14 0.00 1.68 1.58 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.