NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6750 8.2833 119.2008 53.1814 39.1049 174.4367 3 Q 3.7890 8.2469 124.5848 57.3793 28.7143 176.5986 4 R 3.6607 8.6642 120.8240 59.5206 30.6339 177.8752 5 D 4.1690 8.0227 118.1857 57.0769 40.7056 178.9465 6 V 3.3894 7.3858 118.3199 66.1064 31.5180 178.2367 7 I 2.8578 7.4504 119.7403 63.9704 36.7845 178.4194 8 L 3.5930 7.7572 120.1094 57.5620 41.3389 179.1256 9 D 4.1981 7.8470 118.0917 57.2825 41.1000 177.9609 10 C 3.8775 7.7153 117.2955 62.7124 27.8757 175.9079 11 E 4.1256 8.0427 120.4131 59.4277 29.0841 179.3469 12 K 3.9251 8.0259 119.5039 59.4910 32.2310 179.0082 13 K 4.0014 8.1438 118.8024 59.1641 31.9725 179.1282 14 L 4.0238 8.2477 120.7362 58.3353 42.0404 179.1215 15 L 3.9983 8.2238 119.0937 57.9247 41.4151 179.5993 16 T 3.8265 7.9474 115.5514 66.6310 68.3354 176.4937 17 A 3.9296 8.0249 122.5681 55.0622 18.4958 179.7586 18 I 3.2318 7.7177 118.2576 64.4495 36.9940 178.3633 19 Q 4.0193 8.0205 119.1410 59.2407 29.0201 177.4144 20 N 4.6159 8.2288 114.0386 52.5368 38.9896 174.5535 21 N 4.1386 7.7113 116.4316 54.1702 37.2252 175.7589 22 D 4.5844 7.9789 118.3359 53.0539 39.7094 175.1472 23 V 3.5862 7.8812 124.2915 65.4306 31.5483 176.8352 24 E 3.9699 8.1563 117.9353 59.5736 29.2584 179.4009 25 S 4.0321 8.0606 115.2335 61.5717 62.9237 176.7251 26 L 3.9647 7.7912 121.2645 57.6864 41.0710 179.1347 27 E 3.9549 8.1804 118.6972 58.9353 29.5468 178.7661 28 V 3.8322 7.0408 117.2495 65.7929 32.0818 177.8759 29 L 4.3691 8.3360 118.6979 55.8337 41.4435 176.7577 30 L 4.7163 7.3556 119.0649 53.0308 43.2322 175.9180 31 H 4.1333 8.7857 124.0788 55.6162 30.4874 175.5977 32 D 4.2961 8.3016 126.1037 57.4325 40.6992 177.3814 33 D 4.8109 7.9192 116.0348 53.8126 41.1143 176.3448 34 L 4.8825 7.2476 119.3044 55.4198 41.5957 176.2432 35 L 4.8812 8.0433 118.6612 53.0172 45.7216 175.4842 36 F 5.7242 9.0525 121.3242 55.8699 42.9650 173.9861 37 I 5.0474 8.6882 123.3422 59.5985 39.6929 175.0017 38 I 4.6342 8.1782 119.4210 58.1965 40.2982 174.9030 39 P 4.2238 0.0000 0.0000 65.4634 31.1853 178.1749 40 S 4.1723 7.9266 111.2114 59.5318 63.1380 175.0961 41 G 3.9890 8.2355 110.0550 44.9049 0.0000 173.7764 42 E 4.1963 7.8344 119.7641 56.8115 30.8189 175.9056 43 T 5.0064 8.3944 119.2579 62.1124 70.3908 174.1163 44 V 4.5674 9.2734 126.9430 61.3086 34.4632 175.1291 45 T 4.5429 8.2733 117.0926 60.2286 71.1014 175.4325 46 K 3.8291 8.6132 122.1015 59.7897 31.9282 178.3420 47 E 3.9648 8.0922 118.0619 59.8253 29.5680 179.3868 48 T 3.8595 7.7322 115.1968 66.5091 68.6255 176.1468 49 D 4.4078 8.4660 120.2728 57.7393 41.3815 178.5605 50 I 4.0287 8.2973 120.3152 64.3520 36.9524 178.2693 51 A 4.0539 8.4187 121.6615 55.0940 17.9160 179.4938 52 A 3.8729 7.6569 118.0939 55.6073 18.7768 179.2287 53 Y 4.1629 7.6004 114.2725 61.0833 37.7290 178.4727 54 S 4.4082 7.8874 114.9820 60.9424 62.9786 176.3527 55 S 4.3273 7.7140 116.9886 59.2646 62.7847 175.3230 56 G 3.8230 7.7486 110.2560 46.5663 0.0000 174.4151 *57 K 4.3934 8.3955 118.6202 53.9434 32.0179 180.0882 58 I 4.3710 7.4866 119.4259 60.3839 38.5621 174.2885 59 A 4.5759 9.6775 129.7366 49.6423 20.0419 172.9223 60 L 4.8181 8.3344 121.6272 54.3020 42.3213 177.4884 61 R 4.2842 8.9173 125.7539 59.3951 30.3771 173.5505 62 A 4.6174 7.7403 118.6401 50.9484 22.8634 175.7348 63 V 4.6639 8.4362 120.8870 61.1975 33.7768 174.4967 64 V 4.4291 8.9377 129.2375 60.3890 33.2333 172.9199 65 P 5.2259 0.0000 0.0000 62.4225 33.2145 174.8559 66 S 4.4049 8.7335 114.0985 57.6740 66.8668 173.7573 67 D 4.4736 8.8061 116.4650 54.8388 39.3380 173.1822 68 Y 4.3912 8.1947 113.6714 58.6918 38.8154 176.5327 69 I 4.6837 9.2836 124.3873 59.6232 40.5460 174.6164 70 I 5.2111 8.4752 126.8175 59.5872 41.0708 174.9599 71 R 4.6137 9.1231 124.9552 54.4948 33.5651 174.3119 72 I 4.4415 8.4604 125.0852 60.0262 38.6570 176.4834 73 I 4.5598 8.6879 128.5910 60.1997 38.8131 177.4285 74 H 4.0376 8.2122 125.7033 57.1190 27.6606 175.5117 75 D 4.8175 9.1498 129.0363 54.4394 39.8466 175.4300 76 T 5.5239 8.1507 116.0914 62.2681 73.0499 172.9310 77 V 4.8581 9.3630 125.1646 61.1742 34.7220 174.1177 78 V 4.8248 8.9272 128.3697 61.4675 33.5839 174.5260 79 V 4.9847 9.1178 127.4866 61.1987 34.7464 173.9001 80 S 5.4764 9.4421 122.8160 56.6053 65.4711 172.9357 81 V 4.5570 8.6163 124.8217 60.2940 35.1660 172.6668 82 N 5.0524 8.7341 122.5790 53.2218 40.3587 173.6832 83 I 5.0468 9.1911 126.8563 59.6858 40.9312 174.0162 84 E 5.0682 9.1624 127.2692 54.8780 31.6678 175.0970 85 I 5.0893 9.1367 125.5907 59.4014 40.7921 174.5686 86 K 4.9865 9.0838 126.4057 54.8926 34.5220 176.2655 87 G 4.2101 7.6513 112.8901 45.8632 0.0000 169.8387 88 E 5.3892 9.0484 122.7946 55.2439 31.9716 177.0234 *89 Y 4.7591 8.6031 126.2132 57.9787 39.3337 173.7544 *91 E 4.3204 8.3256 115.6067 57.2169 32.4173 178.8085 92 H 4.8412 8.0283 117.5505 55.9924 30.7913 174.5444 93 T 4.8079 8.4968 119.3025 63.1066 69.4757 174.0767 94 L 4.8097 9.5481 127.2796 53.0357 44.0809 176.4208 95 D 5.0448 8.4758 119.5693 53.8508 41.6520 173.6292 96 N 5.0888 8.9497 118.3704 51.9139 44.2512 175.0618 97 T 5.0684 7.8868 116.0742 62.0156 71.6489 173.5899 98 F 5.1789 9.2796 122.9254 55.7796 44.1708 173.5941 99 R 5.0466 9.1688 122.0564 55.1904 31.8704 174.3472 100 Y 4.9869 9.0720 124.8352 56.4686 40.4853 174.3822 101 L 5.3528 8.8811 125.4411 53.5254 44.7380 175.3200 102 R 5.1594 9.3581 124.4018 54.4687 34.8962 174.1647 103 V 4.8582 8.8029 122.9631 61.1556 33.8833 174.2629 104 W 5.5452 9.5142 128.5817 55.3967 31.5657 175.3319 105 K 5.3175 9.6836 123.7020 54.8455 35.8748 174.4863 106 L 3.9026 7.6006 127.7700 53.9056 43.0309 176.2889 107 F 4.3985 8.7991 124.9266 56.1657 40.7944 174.7784 108 D 4.4434 9.6249 128.9921 55.3324 38.0823 175.3460 109 G 3.8557 8.1440 104.3569 45.3081 0.0000 172.6221 110 N 5.0768 7.8154 117.8819 51.0310 41.2629 173.9281 111 W 5.1098 8.9812 123.9901 56.4897 30.2174 175.9520 112 K 5.2330 9.8172 123.1177 54.5940 36.5317 175.6895 113 V 3.8124 8.6115 124.6180 62.8123 32.0545 176.2606 114 I 4.2916 8.8698 121.0822 61.1396 39.5923 174.8963 115 A 5.1423 6.4113 122.4080 52.1255 22.6457 175.2769 116 G 4.6536 8.4004 106.0655 46.9560 0.0000 171.6717 117 S 5.2150 8.4524 113.2199 57.4244 66.8212 173.0193 118 C 4.3744 8.5056 120.9925 57.6848 33.7238 173.0618 119 T 4.6575 8.5485 122.9881 61.5191 70.8073 173.4063 120 A 4.3496 8.7351 128.7488 51.6838 19.4762 177.1998 121 I 3.9975 7.9991 122.7514 61.2657 37.0758 175.7788 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 N 8.28 4.67 0.00 2.70 2.75 0.00 0.00 7.08 5.80 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 3 Q 8.25 3.79 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 4 R 8.66 3.66 0.00 1.77 1.98 0.00 3.12 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 1.55 1.59 0.00 5 D 8.02 4.17 0.00 2.88 2.60 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 0.00 6 V 7.39 3.39 1.99 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 0.84 0.00 0.00 0.92 0.00 0.00 7 I 7.45 2.86 1.39 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.02 0.32 0.00 0.00 8 L 7.76 3.59 0.00 1.57 1.45 0.73 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.85 4.20 0.00 2.68 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 10 C 7.72 3.88 0.00 2.02 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 11 E 8.04 4.13 0.00 1.94 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 0.00 2.33 2.33 0.00 12 K 8.03 3.93 0.00 1.97 1.93 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 13 K 8.14 4.00 0.00 2.03 1.88 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 14 L 8.25 4.02 0.00 2.19 2.05 0.95 0.64 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 15 L 8.22 4.00 0.00 1.74 1.69 0.96 0.80 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 16 T 7.95 3.83 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 1.24 0.00 0.00 17 A 8.02 3.93 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 18 I 7.72 3.23 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.99 0.00 0.00 19 Q 8.02 4.02 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 20 N 8.23 4.62 0.00 2.77 2.83 0.00 0.00 7.21 8.82 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 21 N 7.71 4.14 0.00 2.92 2.96 0.00 0.00 6.86 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 22 D 7.98 4.58 0.00 2.74 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 23 V 7.88 3.59 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 1.04 0.00 0.00 1.04 0.00 0.00 24 E 8.16 3.97 0.00 2.14 1.99 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 2.40 1.98 0.00 25 S 8.06 4.03 0.00 3.98 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 26 L 7.79 3.96 0.00 1.81 1.68 0.32 0.63 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 E 8.18 3.95 0.00 2.06 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 2.32 2.35 0.00 28 V 7.04 3.83 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 0.95 0.00 0.00 1.01 0.00 0.00 29 L 8.34 4.37 0.00 1.82 1.91 1.05 1.10 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 30 L 7.36 4.72 0.00 1.71 1.56 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.79 4.13 0.00 2.99 3.06 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.30 4.30 0.00 2.48 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 33 D 7.92 4.81 0.00 2.67 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 34 L 7.25 4.88 0.00 1.19 1.52 -0.31 0.44 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 35 L 8.04 4.88 0.00 1.52 1.52 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 F 9.05 5.72 0.00 2.96 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 37 I 8.69 5.05 1.90 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 1.32 1.05 0.97 0.00 0.00 38 I 8.18 4.63 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.88 0.00 0.00 39 P 0.00 4.22 0.00 2.07 2.19 0.00 3.61 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 2.07 2.26 0.00 40 S 7.93 4.17 0.00 3.97 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 41 G 8.24 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 0.00 0.00 0.00 42 E 7.83 4.20 0.00 1.89 1.89 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 2.33 2.30 0.00 43 T 8.39 5.01 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 44 V 9.27 4.57 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 1.09 0.00 0.00 0.98 0.00 0.00 45 T 8.27 4.54 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 46 K 8.61 3.83 0.00 1.73 1.79 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.53 7.81 47 E 8.09 3.96 0.00 2.14 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 1.97 0.00 48 T 7.73 3.86 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 1.22 0.00 0.00 49 D 8.47 4.41 0.00 3.12 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 50 I 8.30 4.03 2.01 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 1.55 0.99 0.97 0.00 0.00 51 A 8.42 4.05 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.66 3.87 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 53 Y 7.60 4.16 0.00 3.32 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 54 S 7.89 4.41 0.00 4.03 3.96 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 55 S 7.71 4.33 0.00 3.96 3.98 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 56 G 7.75 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 *57 K 8.40 4.39 0.00 1.72 1.69 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.26 7.81 58 I 7.49 4.37 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 1.28 1.10 0.91 0.00 0.00 59 A 9.68 4.58 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.33 4.82 0.00 1.58 1.67 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.92 4.28 0.00 1.60 1.84 0.00 3.28 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 62 A 7.74 4.62 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 63 V 8.44 4.66 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 0.71 0.00 0.00 0.93 0.00 0.00 64 V 8.94 4.43 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 1.02 0.00 0.00 0.95 0.00 0.00 65 P 0.00 5.23 0.00 1.96 1.97 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 66 S 8.73 4.40 0.00 3.87 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 67 D 8.81 4.47 0.00 2.76 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 68 Y 8.19 4.39 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 69 I 9.28 4.68 1.93 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 1.27 0.97 0.95 0.00 0.00 70 I 8.48 5.21 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.84 0.00 0.00 71 R 9.12 4.61 0.00 1.70 1.81 0.00 3.29 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 72 I 8.46 4.44 1.85 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 1.26 0.47 0.94 0.00 0.00 73 I 8.69 4.56 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.31 0.99 0.00 0.00 74 H 8.21 4.04 0.00 3.35 2.67 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.15 4.82 0.00 2.60 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 76 T 8.15 5.52 4.47 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 1.36 0.00 0.00 77 V 9.36 4.86 1.89 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 0.93 0.00 0.00 0.62 0.00 0.00 78 V 8.93 4.82 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 1.03 0.00 0.00 1.01 0.00 0.00 79 V 9.12 4.98 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 1.38 0.00 0.00 1.12 0.00 0.00 80 S 9.44 5.48 0.00 3.92 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 81 V 8.62 4.56 1.38 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 0.58 0.00 0.00 -0.04 0.00 0.00 82 N 8.73 5.05 0.00 2.86 2.81 0.00 0.00 6.91 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 83 I 9.19 5.05 2.16 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.89 0.00 0.00 84 E 9.16 5.07 0.00 1.98 1.89 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 2.25 2.32 0.00 85 I 9.14 5.09 2.15 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 1.30 1.31 1.02 0.00 0.00 86 K 9.08 4.99 0.00 1.71 1.72 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.38 7.81 87 G 7.65 4.21 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 0.00 88 E 9.05 5.39 0.00 1.78 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 2.23 2.37 0.00 *89 Y 8.60 4.76 0.00 1.99 2.18 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 *91 E 8.33 4.32 0.00 1.77 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 2.13 1.92 0.00 92 H 8.03 4.84 0.00 3.18 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.50 4.81 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 1.28 0.00 0.00 94 L 9.55 4.81 0.00 1.68 1.70 0.98 0.87 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 95 D 8.48 5.04 0.00 2.60 2.54 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 0.00 0.00 0.00 0.00 96 N 8.95 5.09 0.00 2.76 2.13 0.00 0.00 6.91 6.35 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 97 T 7.89 5.07 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 1.26 0.00 0.00 98 F 9.28 5.18 0.00 3.15 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 99 R 9.17 5.05 0.00 1.87 1.79 0.00 3.23 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 100 Y 9.07 4.99 0.00 2.96 2.85 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 0.00 101 L 8.88 5.35 0.00 1.79 1.56 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 R 9.36 5.16 0.00 1.89 1.62 0.00 2.97 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 103 V 8.80 4.86 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 1.09 0.00 0.00 1.01 0.00 0.00 104 W 9.51 5.55 0.00 3.33 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 0.00 105 K 9.68 5.32 0.00 1.92 1.80 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.55 1.31 7.81 106 L 7.60 3.90 0.00 0.63 0.87 -0.43 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.80 4.40 0.00 3.08 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 0.00 108 D 9.62 4.44 0.00 2.82 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 0.00 109 G 8.14 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 0.00 0.00 0.00 110 N 7.82 5.08 0.00 2.86 2.82 0.00 0.00 6.96 7.03 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 0.00 111 W 8.98 5.11 0.00 3.22 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 0.00 112 K 9.82 5.23 0.00 1.99 1.73 0.00 1.45 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.66 1.64 7.81 113 V 8.61 3.81 1.83 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 1.06 0.00 0.00 -0.62 0.00 0.00 114 I 8.87 4.29 1.86 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 1.40 0.61 1.06 0.00 0.00 115 A 6.41 5.14 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 0.00 116 G 8.40 4.65 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 0.00 0.00 0.00 117 S 8.45 5.22 0.00 3.91 3.96 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 0.00 118 C 8.51 4.37 0.00 2.14 2.45 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 0.00 119 T 8.55 4.66 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 1.19 0.00 0.00 120 A 8.74 4.35 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 0.00 121 I 8.00 4.00 1.83 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 1.04 0.61 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.