NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.2958 8.2229 123.5814 52.2951 20.6449 179.7840 9 I 3.7584 7.5991 113.5422 62.4031 35.6350 176.4607 10 E 4.2144 8.9144 120.4876 58.9313 30.5867 178.9399 11 R 3.9835 7.3925 116.4730 58.9761 30.1343 177.1932 12 H 4.6351 7.7268 111.5556 55.7425 29.2579 175.0832 13 R 4.4478 7.4153 115.3575 53.8909 31.2508 175.1872 14 V 4.0902 7.9804 121.3628 61.0352 33.5897 174.5925 15 H 4.2516 8.1503 126.4110 55.6253 29.8170 174.4588 16 L 4.9641 8.3554 125.3986 53.2855 43.1737 175.9981 17 R 4.0177 9.0658 127.3772 56.7119 30.3937 178.2084 18 S 4.0131 8.9780 121.4924 61.4595 63.5288 176.9398 19 A 4.0278 8.0144 123.0025 55.0786 18.4234 179.4973 20 T 3.9013 7.4137 105.5443 64.1574 68.7927 174.8764 21 L 4.4217 7.3750 120.9757 55.1859 40.6827 175.9979 22 R 4.4893 7.5824 118.0884 56.1741 32.0740 175.7633 23 D 4.3423 8.9097 124.1967 55.1537 38.5454 173.8511 24 A 4.2990 7.8366 119.5812 51.6734 19.6016 178.0031 25 V 3.9772 8.1474 119.7578 60.7757 32.8908 173.9485 26 P 4.7205 0.0000 0.0000 62.7148 31.7862 175.4533 27 A 4.8398 9.2104 126.1276 50.5880 21.6208 176.2737 28 T 4.4221 8.4865 117.2353 62.2558 69.8904 174.0790 29 L 4.6724 8.3155 126.8547 53.1065 44.3539 175.2991 30 H 5.4942 8.7655 120.0625 53.9866 31.9213 172.6147 31 L 4.5690 9.2910 126.4895 53.7114 43.6265 175.2084 32 L 4.9353 8.3676 126.8531 52.9661 43.4353 175.8634 33 P 4.6340 0.0000 0.0000 63.5212 31.7261 175.5995 34 C 4.8658 7.3758 112.4950 56.3646 32.1438 172.8508 35 E 4.2366 8.6202 121.9522 54.8860 30.0234 175.5786 36 V 4.1142 8.1116 126.4207 61.0713 31.7014 175.9128 37 A 4.4127 8.6618 127.3253 52.7604 17.8216 176.8659 38 V 4.5874 7.8346 116.6790 60.8417 34.4089 174.8011 39 D 4.8196 9.6256 120.1771 51.3534 44.0574 176.8136 40 G 3.7879 8.1422 110.4964 44.5189 0.0000 170.2108 41 P 4.5787 0.0000 0.0000 62.4634 32.5323 175.1235 42 A 4.5990 7.8890 120.3280 50.6500 22.3457 175.8419 43 P 4.7126 0.0000 0.0000 61.8171 30.1712 177.0374 44 V 3.6535 7.9280 125.0056 66.8113 32.0841 177.8392 45 G 3.9124 8.1740 105.5311 47.2952 0.0000 174.4211 46 R 4.3074 7.9492 117.6895 58.0770 31.3554 177.6449 47 F 4.5257 8.3692 115.5676 60.3213 39.8741 177.3245 48 F 4.3867 8.4691 120.2227 59.6179 39.3194 177.0736 49 T 3.9702 8.7058 115.0235 66.3490 68.7677 174.6759 50 P 4.4241 0.0000 0.0000 64.5449 31.7854 176.8309 51 A 4.1456 7.7310 120.9443 53.4937 18.7947 177.5331 52 I 3.8477 7.0507 116.5667 61.2442 37.7537 175.8728 53 R 4.5446 9.0960 126.3942 54.4381 33.0399 175.0965 54 Q 4.4066 8.9132 125.9338 54.9765 28.7190 174.6508 55 G 4.0043 8.2179 114.3191 41.9781 0.0000 168.2296 56 P 4.2964 0.0000 0.0000 63.1750 32.0259 176.9429 57 E 4.0339 8.7384 118.8776 56.2112 29.1717 175.7573 58 G 4.0300 8.6691 113.6624 43.3221 0.0000 172.4332 59 L 4.5892 8.1592 121.1728 55.3784 43.0645 177.1540 60 E 5.5888 9.4422 119.7559 55.0494 33.8681 175.2568 61 V 4.6422 8.8786 123.2017 59.3017 35.3841 173.9955 62 S 5.2474 8.4210 117.5396 56.8399 65.1685 173.5079 63 F 4.7689 9.0877 125.8694 57.4796 41.4796 174.9387 64 R 3.5228 9.0847 126.7526 57.1936 27.4859 177.1038 65 G 3.9012 8.4573 102.5955 45.5926 0.0000 173.9677 66 R 4.6217 7.7808 118.8106 53.7930 32.7989 174.6914 67 C 4.6432 8.6216 122.8769 59.4318 32.8864 171.9681 68 L 5.4780 9.2551 126.1854 53.1346 45.1853 175.7076 69 R 5.3649 9.6154 121.2905 54.7986 34.3379 174.7753 70 G 4.3116 9.0464 109.9261 44.6682 0.0000 170.6142 71 E 4.7898 7.7296 115.6414 54.3065 33.4116 174.5560 72 E 4.1270 8.5194 122.0213 56.0827 29.7953 175.6098 73 V 3.9520 8.1229 128.2842 61.5533 32.9055 174.5367 74 A 4.8391 8.3237 129.6385 50.3363 20.5671 176.7575 75 V 3.8822 8.4271 122.5723 62.0500 32.2290 174.3517 76 P 4.2973 0.0000 0.0000 62.1823 31.4769 173.7095 77 P 4.4076 0.0000 0.0000 64.0596 31.3456 176.1179 78 G 4.0305 8.8088 110.0462 45.1497 0.0000 173.1636 79 L 4.8546 7.5925 118.5889 52.6470 44.9504 176.2401 80 V 4.1531 7.8267 119.2566 59.6919 34.4848 175.0452 81 G 2.8142 7.3195 110.2095 45.1226 0.0000 172.2201 82 Y 5.3992 8.1424 119.3202 56.1085 42.6113 175.4419 83 V 4.3626 9.2872 123.0601 61.8561 32.7490 174.0205 84 M 5.2453 8.5968 126.8811 53.4852 34.0902 175.9508 85 V 4.5182 8.3671 120.7772 60.2065 34.9400 174.1485 86 T 4.6447 8.4661 118.3033 61.0037 67.9734 174.4834 87 E 4.3243 9.1119 131.0870 59.3656 31.3856 177.8572 88 E 4.6402 7.8659 111.9771 56.7623 29.7191 180.2777 *116 F 4.6709 9.1296 117.4735 57.0230 40.2244 175.3316 117 D 4.8103 7.9679 119.7048 54.1155 42.0783 176.3610 118 R 4.3487 8.2381 122.8876 56.2137 31.6487 175.5280 119 F 5.3554 8.6927 119.8869 56.0091 43.8330 173.4622 120 I 5.1767 8.8968 120.3911 59.9146 41.8959 173.9389 121 G 4.5279 8.5694 113.3011 44.7094 0.0000 171.7864 122 A 4.6680 8.4123 124.9166 51.9330 18.3742 177.6137 123 T 4.2460 9.2801 114.4910 64.2761 70.0338 174.6790 124 A 5.0813 7.8809 121.7893 50.3011 23.5825 174.0912 125 N 5.6999 8.7985 115.9787 51.6333 41.4462 173.2750 126 F 5.2895 8.2795 112.7380 56.0879 41.1929 175.0624 127 S 4.5382 8.9591 114.2463 58.8345 64.5242 173.5904 128 R 5.4115 7.7914 115.4799 55.1726 31.9305 174.2670 129 F 5.0713 9.0426 115.2661 55.3833 41.8009 173.7808 130 T 4.2595 8.7018 118.1613 63.1783 70.0620 173.2238 131 L 4.8668 8.2655 128.5324 53.1712 43.9869 175.0208 132 W 5.1877 9.2220 126.6533 55.0646 31.7833 175.7136 133 G 4.4946 8.8824 108.6137 43.1013 0.0000 171.5692 134 L 4.4662 8.6742 125.4511 56.0012 42.0356 176.4472 135 E 4.2302 9.6608 133.1634 56.8779 30.4556 174.2317 136 T 4.7751 7.1948 105.8766 59.2026 71.9996 172.8761 137 I 4.0126 8.2298 123.8545 60.4981 37.5776 174.5396 138 P 4.1719 0.0000 0.0000 62.8596 31.5992 176.6634 139 G 3.9167 8.5116 112.0629 44.2443 0.0000 172.2444 140 P 4.3273 0.0000 0.0000 65.2239 31.3448 177.1422 141 D 4.5007 8.0230 116.7784 55.0352 40.8638 176.8702 142 A 4.1377 7.7052 123.3079 51.7913 19.8696 178.4109 143 K 3.8825 8.7893 123.6100 59.5372 32.1925 179.8035 144 V 3.6238 7.7939 117.8175 66.2804 31.3724 178.0240 145 R 4.1016 8.1446 115.9022 59.3845 30.0621 178.7506 146 G 3.7858 7.9824 104.3289 47.3418 0.0000 175.8201 147 A 4.1380 8.2778 123.1585 54.8703 18.1693 179.4942 148 L 4.1748 8.0777 116.7312 57.2341 41.6346 178.7668 149 T 4.2843 7.6918 109.5116 62.7036 69.1563 176.5159 150 W 4.5971 7.9572 132.1858 60.3650 30.5433 175.9519 151 P 3.8379 0.0000 0.0000 65.8681 30.2361 178.4673 152 S 4.0342 7.4444 113.8324 61.0934 62.8511 176.1499 153 L 3.9994 7.6683 122.2939 58.1440 42.1947 178.3622 154 A 3.5286 7.5073 120.8457 55.0852 17.5040 179.3424 155 A 3.8314 7.5076 118.6173 55.3014 18.1912 179.8107 156 A 3.9790 7.7222 117.9049 55.1172 18.7390 179.4313 157 I 3.8614 7.4087 110.0610 63.1038 37.8870 176.4518 158 H 4.6602 7.6680 115.2190 55.3569 29.2173 174.3848 159 A 4.4093 7.1083 120.0394 51.0850 19.4946 177.4201 160 Q 4.3035 8.2845 118.4941 55.5100 29.6412 176.1625 161 V 4.3120 7.9632 119.9836 59.2577 33.2239 174.2243 162 P 4.4016 0.0000 0.0000 63.0223 31.3111 175.9990 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 8 A 8.22 4.30 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 9 I 7.60 3.76 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 1.41 0.61 0.91 0.00 0.00 10 E 8.91 4.21 0.00 1.98 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 2.40 2.28 0.00 11 R 7.39 3.98 0.00 1.88 1.88 0.00 3.27 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 12 H 7.73 4.64 0.00 3.17 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.42 4.45 0.00 1.77 1.81 0.00 3.19 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.36 0.00 14 V 7.98 4.09 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 0.78 0.00 0.00 0.87 0.00 0.00 15 H 8.15 4.25 0.00 2.08 2.97 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.36 4.96 0.00 1.63 1.58 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 R 9.07 4.02 0.00 1.82 1.89 0.00 3.11 0.00 0.00 3.10 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 18 S 8.98 4.01 0.00 3.88 3.90 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 19 A 8.01 4.03 1.28 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 20 T 7.41 3.90 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 1.19 0.00 0.00 21 L 7.38 4.42 0.00 1.30 0.85 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.58 4.49 0.00 1.96 1.87 0.00 3.32 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 23 D 8.91 4.34 0.00 2.79 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 24 A 7.84 4.30 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 25 V 8.15 3.98 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 0.83 0.00 0.00 0.97 0.00 0.00 26 P 0.00 4.72 0.00 2.01 2.08 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 27 A 9.21 4.84 1.28 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 28 T 8.49 4.42 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 1.28 0.00 0.00 29 L 8.32 4.67 0.00 1.20 1.28 0.68 0.27 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 30 H 8.77 5.49 0.00 2.94 3.40 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.29 4.57 0.00 1.91 1.80 0.91 0.86 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 32 L 8.37 4.94 0.00 1.48 1.34 0.32 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.63 0.00 2.24 2.36 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 34 C 7.38 4.87 0.00 3.21 2.99 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 35 E 8.62 4.24 0.00 1.93 1.91 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 2.23 2.34 0.00 36 V 8.11 4.11 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 1.06 0.00 0.00 0.94 0.00 0.00 37 A 8.66 4.41 1.28 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 38 V 7.83 4.59 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 0.75 0.00 0.00 0.92 0.00 0.00 39 D 9.63 4.82 0.00 2.62 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 40 G 8.14 3.79 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 0.00 0.00 0.00 41 P 0.00 4.58 0.00 2.18 2.07 0.00 3.54 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 1.98 2.08 0.00 42 A 7.89 4.60 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 43 P 0.00 4.71 0.00 2.49 2.37 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.17 0.00 44 V 7.93 3.65 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 1.09 0.00 0.00 0.87 0.00 0.00 45 G 8.17 3.91 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 0.00 0.00 0.00 46 R 7.95 4.31 0.00 1.97 1.85 0.00 3.22 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 47 F 8.37 4.53 0.00 3.04 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.47 4.39 0.00 3.08 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 49 T 8.71 3.97 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 1.32 0.00 0.00 50 P 0.00 4.42 0.00 2.15 2.17 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 51 A 7.73 4.15 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 52 I 7.05 3.85 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.47 1.12 0.00 0.00 53 R 9.10 4.54 0.00 1.83 1.81 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 54 Q 8.91 4.41 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 55 G 8.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 57 E 8.74 4.03 0.00 1.99 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 0.00 2.23 1.87 0.00 58 G 8.67 4.03 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 0.00 0.00 0.00 59 L 8.16 4.59 0.00 1.47 1.75 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 E 9.44 5.59 0.00 1.58 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 0.00 2.13 2.10 0.00 61 V 8.88 4.64 1.56 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 -0.68 0.00 0.00 0.27 0.00 0.00 62 S 8.42 5.25 0.00 3.73 3.80 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 63 F 9.09 4.77 0.00 3.04 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 64 R 9.08 3.52 0.00 1.63 1.71 0.00 3.11 0.00 0.00 2.79 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 65 G 8.46 3.90 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 0.00 0.00 0.00 66 R 7.78 4.62 0.00 2.03 1.85 0.00 3.14 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 67 C 8.62 4.64 0.00 3.04 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 68 L 9.26 5.48 0.00 1.62 1.79 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 R 9.62 5.36 0.00 1.66 1.83 0.00 3.28 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 70 G 9.05 4.31 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 0.00 71 E 7.73 4.79 0.00 1.83 1.82 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 2.08 2.09 0.00 72 E 8.52 4.13 0.00 1.87 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 2.23 2.27 0.00 73 V 8.12 3.95 1.06 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 0.78 0.00 0.00 0.65 0.00 0.00 74 A 8.32 4.84 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 75 V 8.43 3.88 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 0.77 0.00 0.00 1.08 0.00 0.00 76 P 0.00 4.30 0.00 2.25 2.21 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 77 P 0.00 4.41 0.00 2.18 2.10 0.00 3.73 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 1.97 1.95 0.00 78 G 8.81 4.03 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 0.00 0.00 0.00 79 L 7.59 4.85 0.00 1.71 1.47 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.83 4.15 1.87 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 0.47 0.00 0.00 0.49 0.00 0.00 81 G 7.32 2.81 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 82 Y 8.14 5.40 0.00 2.82 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 83 V 9.29 4.36 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 0.87 0.00 0.00 1.09 0.00 0.00 84 M 8.60 5.25 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 85 V 8.37 4.52 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 0.78 0.00 0.00 0.95 0.00 0.00 86 T 8.47 4.64 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 87 E 9.11 4.32 0.00 2.11 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 2.38 2.42 0.00 88 E 7.87 4.64 0.00 1.92 1.12 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 2.11 1.84 0.00 *116 F 9.13 4.67 0.00 2.32 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 0.00 0.00 0.00 0.00 117 D 7.97 4.81 0.00 2.89 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 0.00 118 R 8.24 4.35 0.00 1.65 1.77 0.00 3.04 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 119 F 8.69 5.36 0.00 3.06 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 0.00 120 I 8.90 5.18 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.80 0.97 0.00 0.00 121 G 8.57 4.53 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 0.00 0.00 0.00 122 A 8.41 4.67 1.02 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 0.00 123 T 9.28 4.25 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 1.23 0.00 0.00 124 A 7.88 5.08 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 0.00 125 N 8.80 5.70 0.00 2.73 3.06 0.00 0.00 6.94 8.01 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 0.00 126 F 8.28 5.29 0.00 3.11 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 0.00 127 S 8.96 4.54 0.00 4.01 4.11 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 0.00 128 R 7.79 5.41 0.00 1.92 1.93 0.00 2.99 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 129 F 9.04 5.07 0.00 2.99 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 0.00 130 T 8.70 4.26 4.41 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 0.78 0.00 0.00 131 L 8.27 4.87 0.00 1.52 1.23 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.22 5.19 0.00 3.31 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 0.00 133 G 8.88 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 0.00 0.00 0.00 0.00 134 L 8.67 4.47 0.00 1.72 1.66 0.98 0.96 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 0.00 135 E 9.66 4.23 0.00 2.11 2.09 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 2.23 2.31 0.00 136 T 7.19 4.78 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 1.23 0.00 0.00 137 I 8.23 4.01 1.84 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 1.31 0.48 0.83 0.00 0.00 138 P 0.00 4.17 0.00 2.04 2.04 0.00 3.64 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 2.06 2.15 0.00 139 G 8.51 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 0.00 140 P 0.00 4.33 0.00 2.19 2.20 0.00 3.77 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 1.99 1.98 0.00 141 D 8.02 4.50 0.00 2.68 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 0.00 142 A 7.71 4.14 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 0.00 143 K 8.79 3.88 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.52 7.81 144 V 7.79 3.62 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 1.21 0.00 0.00 1.00 0.00 0.00 145 R 8.14 4.10 0.00 1.98 2.01 0.00 3.44 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 146 G 7.98 3.79 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 0.00 0.00 0.00 147 A 8.28 4.14 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 0.00 148 L 8.08 4.17 0.00 1.91 1.85 1.17 0.89 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 0.00 149 T 7.69 4.28 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 1.31 0.00 0.00 150 W 7.96 4.60 0.00 3.39 3.39 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 0.00 151 P 0.00 3.84 0.00 2.18 2.17 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 152 S 7.44 4.03 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 0.00 153 L 7.67 4.00 0.00 1.72 1.85 1.10 0.98 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 0.00 154 A 7.51 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 0.00 0.00 0.00 155 A 7.51 3.83 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 0.00 156 A 7.72 3.98 1.30 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 0.00 0.00 157 I 7.41 3.86 1.84 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 1.50 0.59 0.99 0.00 0.00 158 H 7.67 4.66 0.00 3.27 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.11 4.41 1.29 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 0.00 160 Q 8.28 4.30 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 161 V 7.96 4.31 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 0.76 0.00 0.00 0.93 0.00 0.00 162 P 0.00 4.40 0.00 2.20 2.07 0.00 3.79 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 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.