NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7120 8.1400 114.8221 57.7172 64.4989 174.0510 2 L 4.0485 8.5704 123.0540 58.1759 40.2437 177.7632 3 L 3.7810 8.7337 120.5338 57.6288 41.8405 178.6931 4 E 4.1823 8.4137 118.2804 58.7434 29.7628 178.4495 5 F 4.6477 8.3182 120.3115 61.5079 39.4920 177.0764 6 G 3.4832 8.9815 106.2832 47.6777 0.0000 175.5947 7 K 3.9819 7.6290 119.4270 59.3804 31.9384 178.5137 8 M 4.0247 8.3640 118.7482 58.9434 32.2887 178.1795 9 I 3.6197 8.4179 120.5018 64.1556 37.2150 178.2815 10 L 4.1506 7.7154 122.3856 57.8158 41.8729 178.8617 11 E 4.1428 8.7123 116.8602 58.4574 29.4360 177.9985 12 E 4.6923 7.7150 116.0170 56.1572 31.3726 176.3341 13 T 4.5255 7.5201 105.2351 59.6277 70.4978 174.0548 14 G 3.8079 7.9862 110.6320 46.6078 0.0000 173.5408 *16 K 4.9045 7.5895 116.2290 55.9741 33.0496 174.8810 17 L 4.5179 8.0734 120.1472 53.3372 43.0667 177.2480 18 A 4.0366 8.7411 127.1816 55.0513 18.3443 176.9230 19 I 4.7770 7.5500 114.5560 59.1976 38.8438 174.1019 20 P 4.8704 0.0000 0.0000 62.3321 32.0783 176.9286 21 S 4.3526 7.7176 114.9126 60.9278 62.7919 174.7480 22 Y 4.6358 8.9438 116.3658 57.4382 39.6384 177.8224 23 S 4.2372 8.2606 115.2173 60.9018 63.2365 175.4061 24 S 5.2742 7.8289 112.6817 57.8519 63.3923 172.8474 25 Y 4.1916 8.5671 122.6970 59.5226 39.8890 175.4039 26 G 3.7098 7.9558 116.4848 47.3133 0.0000 173.3515 27 C 4.6225 9.5588 117.3526 57.3015 39.6969 173.9119 28 Y 4.4381 8.4852 115.8599 57.8955 39.6902 174.6734 29 C 4.6390 8.1519 117.6074 58.3021 40.2574 172.8698 30 G 4.2941 9.3112 118.4517 45.9580 0.0000 174.4285 31 W 4.3609 8.1036 118.7076 59.1249 30.5917 177.2011 32 G 4.6527 8.3130 108.1047 43.1782 0.0000 176.7912 33 G 3.8810 9.0479 108.0963 46.3906 0.0000 176.5648 34 K 5.3787 7.8083 123.8800 53.9322 35.4143 175.5435 35 G 3.9589 8.9574 106.6785 46.1913 0.0000 172.7950 36 T 4.4802 7.9015 114.6932 61.3877 69.6939 173.7475 37 P 4.7516 0.0000 0.0000 62.8868 31.9780 176.4815 38 K 4.0309 8.2967 118.7209 57.5408 33.0663 175.8908 39 D 4.4034 7.3615 115.6320 51.5336 41.6891 175.3063 40 A 3.9961 9.0260 120.3331 56.2113 18.3920 179.5696 41 T 4.0335 8.0365 113.3343 66.9127 68.6010 175.7497 42 D 4.5309 8.4018 119.6977 57.9980 41.2101 178.8586 43 R 4.1247 8.3098 118.2128 59.4644 29.9755 178.3167 44 C 4.2746 8.7033 116.7047 60.4131 38.5291 175.5798 45 C 4.4300 8.3327 117.4781 59.8525 37.4125 175.4245 46 F 3.7780 8.6593 122.7160 61.4433 38.7433 177.3242 47 V 3.3509 8.3418 117.8026 66.0955 31.1856 177.2396 48 H 4.0887 8.4198 118.1942 59.3769 29.6914 176.4967 49 D 4.2025 8.6914 121.2911 57.7358 40.3879 178.0748 50 C 3.7924 7.9398 116.9403 60.3844 41.1362 175.2892 51 C 4.0103 8.7085 120.5991 60.2615 41.3467 175.1783 52 Y 4.4127 8.0931 118.2018 61.3454 37.2809 178.9753 53 G 4.0681 8.2533 106.7783 47.5431 0.0000 174.5684 54 N 4.7993 7.9207 114.8446 52.8738 39.7006 175.8689 55 L 4.6777 7.9463 122.2755 51.8191 41.5606 174.5608 56 P 4.2216 0.0000 0.0000 65.1602 32.0160 177.5748 *59 D 4.6495 7.6790 118.5671 54.3168 42.1671 175.6641 *61 C 4.4317 7.6764 114.6696 56.9245 36.9556 173.4841 *67 N 5.2704 8.5915 120.2333 52.7513 38.3437 172.9077 68 P 4.0096 0.0000 0.0000 65.0882 31.3126 178.0502 69 K 4.0812 8.2125 120.4326 58.5989 32.2479 177.7799 70 S 4.6738 7.8307 109.5898 57.6204 63.4256 172.4910 71 D 4.7514 7.8352 120.9019 52.7204 41.5346 176.5326 72 R 4.3995 8.4008 126.1224 56.6790 30.7708 175.2642 73 Y 4.9172 7.7474 117.0941 56.1826 40.8639 173.8244 74 K 4.7734 8.7406 119.3712 54.9872 34.6263 175.0958 75 Y 5.4538 7.8666 118.7350 56.5491 41.5776 173.4662 76 K 4.2426 8.8075 115.6055 56.6089 36.1625 174.2935 77 R 5.5711 8.4978 120.0726 54.5000 31.9163 176.7874 78 V 4.1510 8.0560 122.2780 62.5612 33.5477 174.0987 79 N 4.2928 9.7130 126.1540 54.5888 35.8502 175.2399 80 G 3.8479 8.6150 102.2326 45.8658 0.0000 173.3844 81 A 4.8674 7.5539 120.4435 49.7686 22.9496 175.9258 82 I 4.7627 8.2659 119.8059 60.1415 38.6001 175.6601 83 V 4.3361 8.9461 128.4163 61.1663 33.6142 173.9064 84 C 4.8814 8.8289 126.2060 56.3134 40.4760 173.6640 85 E 4.2339 8.5422 124.2073 55.8893 30.4761 177.5058 86 K 4.3867 8.0342 121.9406 55.8115 32.2522 175.3886 *88 G 4.5494 8.1647 118.6093 45.0650 0.0000 170.7138 89 T 4.1256 8.8522 113.3065 61.8588 70.2684 174.4180 90 S 4.1657 8.4448 114.1692 61.6824 63.7410 176.5022 91 C 4.2264 8.1015 120.3712 59.7805 34.8126 176.2719 92 E 3.8478 8.1625 119.6585 59.4688 28.9819 178.6834 93 N 4.1506 7.8104 116.4171 56.8640 38.6259 177.6188 94 R 3.9135 9.0220 119.6433 59.1807 30.2414 179.0589 95 I 3.5658 7.9411 120.0151 64.6830 37.0404 177.0769 96 C 3.1495 7.2645 118.5178 59.7417 39.1597 175.2451 97 E 3.7547 7.7929 119.2540 60.0197 29.0159 179.0557 98 C 4.1876 8.1439 116.0887 59.9285 40.0533 176.0941 99 D 3.8484 7.9129 120.3459 57.1082 40.5803 178.3302 100 K 3.6602 8.0738 120.2830 59.7338 31.9519 178.1449 101 A 3.7863 7.8204 120.1986 55.0434 18.3520 179.0846 102 A 3.4573 7.4875 118.5910 55.2315 18.3615 179.7035 103 A 3.5871 7.9300 119.0297 55.3854 18.4785 179.9447 104 I 3.6363 7.5075 118.2309 64.5980 36.8768 177.8731 105 C 4.2706 8.0236 118.9913 59.4899 40.8291 175.4823 106 F 4.6706 7.7610 119.5247 60.5511 38.2306 177.3776 107 R 3.9801 8.0388 118.3614 59.9058 29.6442 178.5623 108 Q 4.1889 8.0139 116.0621 58.1567 28.8826 177.6267 109 N 4.9646 7.7224 115.2195 53.0924 38.9492 176.6478 110 L 4.1976 7.6849 122.3499 57.7803 41.3421 179.1094 111 N 4.3780 8.3342 115.7692 55.7573 38.6266 175.6652 112 T 4.4318 7.7779 105.2615 61.0485 68.8582 172.9869 113 Y 3.9717 7.7843 124.5529 58.6146 38.6382 174.8423 114 S 4.9313 8.6188 123.0298 56.2013 63.8346 174.8862 115 K 3.7971 8.8759 127.6938 59.5697 31.9119 178.6390 116 K 4.0063 7.3962 116.0292 58.5587 32.5777 176.9353 117 Y 4.5343 7.3953 117.1167 58.0561 38.6547 175.6047 118 M 4.0533 7.2755 120.4955 56.1836 32.6830 176.0265 119 L 3.6701 8.2606 119.8717 54.9743 39.1992 174.6562 120 Y 4.2142 7.5997 119.8767 55.1995 39.3158 172.9518 121 P 3.7978 0.0000 0.0000 62.3988 31.7384 176.3568 122 D 3.9982 8.3690 124.0824 56.0945 38.8789 178.7063 *124 F 4.4997 7.8339 111.1555 55.7601 39.4862 175.2523 125 L 4.1981 7.3329 120.5658 55.8581 41.7767 175.9136 126 C 4.9432 8.5650 118.6611 55.0656 42.5881 173.5412 127 K 4.4401 8.2660 125.0226 56.4806 34.1773 179.1507 128 G 4.0963 9.2068 105.7680 46.0232 0.0000 174.2091 129 E 5.1209 9.2060 123.9032 54.3000 33.4010 173.5108 130 L 5.2072 8.0209 126.8995 55.5088 44.5954 174.9698 131 K 4.2424 8.2346 114.2919 56.6716 34.7732 176.5253 *133 C 5.0601 8.7603 119.3202 57.5013 41.5265 173.9248 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 1 S 8.14 4.71 0.00 4.03 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 2 L 8.57 4.05 0.00 1.94 1.78 0.98 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.73 3.78 0.00 1.78 1.68 0.92 0.87 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 4 E 8.41 4.18 0.00 1.76 1.58 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 1.47 1.97 0.00 5 F 8.32 4.65 0.00 3.12 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 6 G 8.98 3.48 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 0.00 7 K 7.63 3.98 0.00 2.03 2.14 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.49 7.81 8 M 8.36 4.02 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.43 0.00 9 I 8.42 3.62 1.79 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.44 0.58 0.00 0.00 10 L 7.72 4.15 0.00 1.91 1.89 0.98 0.92 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 11 E 8.71 4.14 0.00 2.01 2.08 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 2.42 2.63 0.00 12 E 7.71 4.69 0.00 1.91 1.97 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 2.38 2.40 0.00 13 T 7.52 4.53 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 1.27 0.00 0.00 14 G 7.99 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 *16 K 7.59 4.90 0.00 1.99 1.80 0.00 1.64 0.00 0.00 1.33 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.46 7.81 17 L 8.07 4.52 0.00 1.79 1.65 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.74 4.04 1.23 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 0.00 0.00 19 I 7.55 4.78 1.89 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 1.48 0.68 0.94 0.00 0.00 20 P 0.00 4.87 0.00 2.21 2.19 0.00 3.40 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 21 S 7.72 4.35 0.00 4.27 3.62 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 22 Y 8.94 4.64 0.00 2.84 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 23 S 8.26 4.24 0.00 3.98 4.13 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 24 S 7.83 5.27 0.00 4.72 4.64 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 25 Y 8.57 4.19 0.00 2.97 2.86 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 26 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 27 C 9.56 4.62 0.00 2.78 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 28 Y 8.49 4.44 0.00 3.38 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 29 C 8.15 4.64 0.00 3.53 3.54 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 30 G 9.31 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 0.00 0.00 0.00 0.00 31 W 8.10 4.36 0.00 3.35 3.31 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 0.00 0.00 0.00 0.00 32 G 8.31 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 33 G 9.05 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 0.00 0.00 0.00 34 K 7.81 5.38 0.00 1.65 2.21 0.00 1.73 0.00 0.00 2.35 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.50 7.81 35 G 8.96 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 0.00 0.00 0.00 36 T 7.90 4.48 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 1.16 0.00 0.00 37 P 0.00 4.75 0.00 1.96 2.01 0.00 3.53 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 38 K 8.30 4.03 0.00 0.79 0.74 0.00 1.23 0.00 0.00 0.94 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.96 0.40 7.81 39 D 7.36 4.40 0.00 2.89 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 40 A 9.03 4.00 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 T 8.04 4.03 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 0.85 0.00 0.00 42 D 8.40 4.53 0.00 2.83 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 43 R 8.31 4.12 0.00 2.09 2.00 0.00 3.15 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 44 C 8.70 4.27 0.00 3.41 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 45 C 8.33 4.43 0.00 3.40 3.53 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 46 F 8.66 3.78 0.00 2.67 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 47 V 8.34 3.35 2.16 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 0.85 0.00 0.00 1.03 0.00 0.00 48 H 8.42 4.09 0.00 3.19 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.69 4.20 0.00 2.66 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 50 C 7.94 3.79 0.00 2.72 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 51 C 8.71 4.01 0.00 2.83 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 52 Y 8.09 4.41 0.00 3.02 2.86 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 53 G 8.25 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 0.00 0.00 0.00 54 N 7.92 4.80 0.00 2.84 2.83 0.00 0.00 6.85 7.27 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 55 L 7.95 4.68 0.00 1.54 1.50 0.83 1.08 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 56 P 0.00 4.22 0.00 2.20 2.29 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 *59 D 7.68 4.65 0.00 2.73 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 *61 C 7.68 4.43 0.00 2.88 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 *67 N 8.59 5.27 0.00 2.78 2.74 0.00 0.00 7.44 7.71 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 68 P 0.00 4.01 0.00 0.57 0.91 0.00 3.61 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 69 K 8.21 4.08 0.00 1.98 1.83 0.00 1.57 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.51 7.81 70 S 7.83 4.67 0.00 3.96 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 71 D 7.84 4.75 0.00 2.78 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 72 R 8.40 4.40 0.00 1.84 1.81 0.00 3.46 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 73 Y 7.75 4.92 0.00 3.01 2.93 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 74 K 8.74 4.77 0.00 1.91 1.84 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.37 7.81 75 Y 7.87 5.45 0.00 3.12 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 76 K 8.81 4.24 0.00 1.78 1.98 0.00 1.30 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.38 7.81 77 R 8.50 5.57 0.00 1.72 1.92 0.00 3.48 0.00 0.00 4.01 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.43 0.00 78 V 8.06 4.15 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 0.99 0.00 0.00 0.95 0.00 0.00 79 N 9.71 4.29 0.00 2.89 2.89 0.00 0.00 7.21 7.65 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 80 G 8.61 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 81 A 7.55 4.87 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 82 I 8.27 4.76 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 1.37 0.70 0.85 0.00 0.00 83 V 8.95 4.34 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 1.00 0.00 0.00 0.96 0.00 0.00 84 C 8.83 4.88 0.00 2.86 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 85 E 8.54 4.23 0.00 1.87 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 2.37 2.30 0.00 86 K 8.03 4.39 0.00 1.79 1.73 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.39 7.81 *88 G 8.16 4.55 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 0.00 0.00 0.00 89 T 8.85 4.13 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 1.30 0.00 0.00 90 S 8.44 4.17 0.00 4.03 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 91 C 8.10 4.23 0.00 2.95 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 92 E 8.16 3.85 0.00 2.03 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 0.00 2.48 2.35 0.00 93 N 7.81 4.15 0.00 2.90 2.82 0.00 0.00 7.09 7.82 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 94 R 9.02 3.91 0.00 1.60 1.90 0.00 3.10 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 95 I 7.94 3.57 1.67 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.00 0.77 0.00 0.00 96 C 7.26 3.15 0.00 1.93 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 97 E 7.79 3.75 0.00 2.13 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 2.39 2.45 0.00 98 C 8.14 4.19 0.00 3.26 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 99 D 7.91 3.85 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.07 3.66 0.00 1.66 1.99 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.43 7.81 101 A 7.82 3.79 1.27 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 0.00 0.00 0.00 102 A 7.49 3.46 0.96 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 0.00 0.00 103 A 7.93 3.59 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.51 3.64 1.99 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 1.36 0.36 0.88 0.00 0.00 105 C 8.02 4.27 0.00 2.93 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 0.00 106 F 7.76 4.67 0.00 3.11 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 0.00 107 R 8.04 3.98 0.00 1.98 2.15 0.00 3.11 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 108 Q 8.01 4.19 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 109 N 7.72 4.96 0.00 2.93 2.88 0.00 0.00 6.93 6.46 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 0.00 110 L 7.68 4.20 0.00 1.91 1.76 0.93 0.55 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 0.00 111 N 8.33 4.38 0.00 2.76 2.92 0.00 0.00 6.77 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 0.00 112 T 7.78 4.43 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 1.26 0.00 0.00 113 Y 7.78 3.97 0.00 2.97 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 0.00 114 S 8.62 4.93 0.00 3.89 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 0.00 115 K 8.88 3.80 0.00 1.83 1.83 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.59 7.81 116 K 7.40 4.01 0.00 1.61 1.69 0.00 1.38 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.69 0.55 7.81 117 Y 7.40 4.53 0.00 1.95 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 0.00 0.00 0.00 118 M 7.28 4.05 0.00 2.02 2.10 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 2.66 2.60 0.00 119 L 8.26 3.67 0.00 1.77 1.74 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.60 4.21 0.00 2.93 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 0.00 121 P 0.00 3.80 0.00 0.68 1.71 0.00 3.17 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 1.35 1.61 0.00 122 D 8.37 4.00 0.00 2.69 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 *124 F 7.83 4.50 0.00 3.20 3.24 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 0.00 125 L 7.33 4.20 0.00 1.32 1.58 0.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.57 4.94 0.00 2.83 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.27 4.44 0.00 1.78 1.04 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.41 7.81 128 G 9.21 4.10 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 0.00 0.00 0.00 129 E 9.21 5.12 0.00 2.11 1.81 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 2.35 2.46 0.00 130 L 8.02 5.21 0.00 1.90 1.71 0.01 0.42 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 0.00 131 K 8.23 4.24 0.00 1.84 1.64 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.39 7.81 *133 C 8.76 5.06 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.