NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.5432 8.0427 122.7545 54.9919 44.1868 174.8856 5 V 4.6434 8.9511 124.7408 60.7079 34.7036 172.5237 6 I 4.7845 8.7046 128.9215 59.4899 40.4448 173.5798 7 N 4.8086 8.8384 126.4474 52.8869 39.6988 175.8226 8 G 3.6026 8.5512 113.7248 48.8228 0.0000 174.5414 9 T 3.8832 7.9539 115.5247 61.6815 67.4187 171.6132 10 P 4.5371 0.0000 0.0000 63.2148 32.2817 175.8636 11 R 4.3693 7.6992 120.4795 54.8120 30.3591 177.4803 12 K 4.0454 8.8400 123.7528 58.7871 32.4946 176.9468 13 H 4.9992 7.8405 114.1698 54.7771 28.7633 173.8515 14 G 4.1920 7.6783 107.8238 44.8929 0.0000 175.3380 15 R 3.9490 8.4151 119.6499 59.2661 30.0590 179.6560 16 T 3.8946 7.8617 115.3999 66.3288 68.4741 176.4383 17 R 4.1662 7.6591 122.1921 58.8261 29.9706 178.5264 18 I 3.6761 7.7740 118.7479 64.5146 37.3246 177.8558 19 A 4.0140 7.7529 121.0857 55.2472 18.0771 179.5334 20 A 3.9397 8.1023 118.9641 55.5277 18.4963 180.0319 21 S 4.0845 8.1290 113.6720 62.1297 62.8956 175.8121 22 Y 4.1355 8.4181 122.3037 61.0437 38.4678 177.9934 23 I 3.5061 8.1407 119.6351 64.7190 37.4331 178.0510 24 A 4.5458 8.5422 122.2491 55.0575 18.0390 179.0457 25 A 4.0165 8.2428 119.3627 54.5618 18.4291 179.2825 26 L 3.6297 8.1449 119.7230 57.4258 42.3014 178.2565 27 Y 4.1988 7.9361 114.1800 56.1745 39.6477 174.3125 28 H 4.3164 7.9179 116.7892 56.8258 26.3553 173.2196 29 T 4.8020 8.6157 111.5282 59.1603 73.5332 173.8153 30 D 4.6937 8.6033 121.9440 54.2631 42.1056 174.3705 31 L 5.0632 8.5331 127.9865 53.6219 44.6147 176.0668 32 I 4.3643 8.5591 125.5646 59.3125 39.8050 173.1516 33 D 4.8023 8.4711 126.9621 53.5252 41.7315 176.3120 34 L 4.5963 8.1027 125.5327 55.9412 41.3875 178.8608 35 S 4.5023 9.1235 116.5660 60.4125 63.2126 174.7304 36 E 4.4864 8.1814 116.1304 57.6297 31.1117 176.7057 37 F 4.3074 8.6001 124.4865 57.0005 37.3906 172.8009 38 V 4.5876 7.7203 123.6189 60.4196 33.5377 174.5779 39 L 4.9204 8.2976 124.9969 51.8488 45.1746 174.2289 40 P 4.5275 0.0000 0.0000 62.0745 32.0702 176.4072 41 V 3.8227 8.4327 118.8452 62.7755 31.2086 175.2002 42 F 4.3941 8.3992 128.8450 58.3160 39.7428 174.8642 43 N 4.4716 8.5694 121.9790 51.3995 39.1206 174.0923 44 G 3.6685 6.5546 108.2948 45.7231 0.0000 172.0679 45 E 4.5467 7.8471 119.8554 55.2315 34.0070 175.6339 46 A 3.8926 8.7029 127.1993 55.5416 18.9558 178.9273 47 E 3.9129 8.3696 112.6327 59.5477 29.7869 178.5378 48 Q 4.0493 8.2987 120.9159 58.7843 29.1661 177.9685 49 S 4.5321 8.0568 108.5926 58.7743 62.4336 174.3603 50 E 4.7269 7.9727 119.7743 55.6286 31.1035 177.8081 51 L 4.6023 7.6427 122.1978 54.7451 42.0585 176.8004 52 L 4.3357 8.5380 123.5540 57.2560 42.5309 177.8775 53 K 3.5955 7.6502 119.5076 59.3554 32.3850 179.3610 54 V 3.4966 7.6916 118.5825 66.1918 31.4364 177.9761 55 Q 4.0917 7.5926 116.3806 58.6700 28.3992 177.9202 56 E 3.9490 8.1343 121.5345 58.9740 29.8041 178.0971 57 L 3.8919 8.4483 120.7534 58.3328 42.3338 179.0733 58 K 3.9057 8.0307 118.2906 59.7701 31.8973 179.0966 59 Q 3.9561 8.0059 118.3343 58.9272 28.5235 178.6403 60 R 3.9227 8.4712 119.3376 59.3410 29.9093 179.5578 61 V 3.4880 7.4035 117.1753 66.0999 31.7808 177.6647 62 T 3.9203 7.4345 109.1693 63.2720 67.1798 174.7482 63 K 4.2274 7.5254 119.2832 57.5071 33.5381 176.4430 64 A 4.2008 7.0250 121.3322 51.9725 19.0338 177.2172 65 D 4.4910 8.7730 121.6422 56.7399 41.3235 176.8125 66 A 5.0365 7.6608 117.5522 50.1666 22.7016 175.4076 67 I 4.7139 8.6275 120.2039 59.4684 41.4132 175.2009 68 V 4.1059 9.0385 126.1590 61.1575 33.3636 173.9860 69 L 4.7228 8.3717 131.1903 53.9787 43.4109 175.1297 70 L 5.6841 8.4163 126.3482 52.4210 45.0101 175.6409 71 S 4.8052 8.1873 115.8003 56.4253 65.8563 171.5026 72 P 4.9299 0.0000 0.0000 62.1621 32.8091 174.9950 73 E 4.3692 8.4504 122.8394 55.6678 30.4591 175.5091 74 Y 4.6983 9.1129 126.3374 57.2717 39.4083 175.7599 75 H 4.1196 9.1242 124.5390 57.7963 25.8292 175.0183 76 S 4.0847 8.1126 106.5493 59.0141 62.3122 173.6276 77 G 3.8910 7.3285 118.0349 44.3482 0.0000 177.0737 *79 S 4.2629 8.9058 120.5057 57.4759 64.8194 173.9550 80 G 3.8154 8.9377 111.6796 47.6346 0.0000 175.6901 81 A 4.0069 7.9252 122.5847 55.1753 18.6162 179.1795 82 L 3.8743 8.0795 119.1925 58.2494 42.1472 179.1471 83 K 3.9162 8.0856 119.6086 59.2968 31.8379 178.3850 84 N 4.2766 8.0454 116.8707 56.5818 38.7514 176.8207 85 A 4.2348 8.0300 122.2270 55.0464 18.0431 179.5545 86 L 4.0867 7.8975 117.3813 57.5486 41.4757 178.8856 87 D 4.1661 7.4180 117.4826 56.0630 40.7012 177.9833 88 F 4.5592 7.3415 118.2941 59.8006 39.4449 175.7466 89 L 4.5152 7.4766 117.1953 54.4845 43.5431 174.4190 90 S 4.6444 8.1866 112.2255 57.2551 65.9191 175.6819 91 S 4.4868 8.6200 115.6662 61.3314 62.0608 175.6416 92 E 4.2660 7.8171 120.6601 58.1665 29.3922 177.4764 93 Q 4.4868 8.1849 114.8931 55.4403 30.5612 176.2268 94 F 4.9556 7.5381 117.6536 56.8551 41.0096 174.6330 95 K 4.4884 8.1999 118.5821 56.9910 31.6807 175.1796 96 Y 3.6700 8.6678 122.8226 58.4527 36.9663 169.9554 97 K 4.3245 8.8328 124.0434 55.2814 33.5990 174.4209 98 P 4.9031 0.0000 0.0000 63.2877 32.4133 175.4560 99 V 5.0503 9.0695 123.4133 61.0282 35.9191 173.9563 100 A 4.8049 8.4452 126.4383 50.0335 21.5905 175.4250 101 L 4.5344 8.3991 122.6372 54.8671 43.7762 176.4715 102 L 4.7188 8.5244 123.9493 54.2838 45.3951 173.9882 103 A 5.2565 8.8285 128.5463 50.1195 22.4647 175.1540 104 V 4.6660 8.5038 120.0288 61.2276 33.8934 174.6305 105 A 4.9947 8.5649 128.7134 49.2523 22.9186 175.4609 106 G 3.6819 8.5052 105.6022 46.1911 0.0000 175.4372 107 G 4.2537 8.2649 110.6570 45.0402 0.0000 174.5705 108 G 3.7988 8.3590 107.1131 46.9887 0.0000 175.1143 109 K 4.3189 8.6273 121.8394 56.1313 32.8918 176.9683 110 G 3.7553 7.2631 107.2776 46.2010 0.0000 172.7186 111 G 4.1787 9.7216 112.3470 46.5052 0.0000 176.7996 112 I 3.6454 8.0913 121.2684 64.2107 37.0674 178.1807 113 N 4.3025 8.1434 116.4865 56.0359 38.1535 177.2786 114 A 3.9266 8.0351 121.0290 55.0007 18.6811 179.0923 115 L 4.0170 7.8109 116.3847 58.2680 42.0126 179.1695 116 N 4.4332 8.3646 116.4611 56.2755 38.3238 176.9713 117 N 4.2246 7.7981 114.2373 54.8023 38.5493 176.0588 *119 R 4.1019 7.7767 119.1690 56.4656 31.7589 176.7282 120 T 3.9223 8.0468 113.2757 66.7520 68.6466 176.4191 121 V 3.6680 7.8462 119.0416 63.3140 31.0944 177.4547 *123 R 4.1254 8.1276 120.7468 55.5979 31.6077 177.6468 124 G 3.6095 7.8910 106.2918 48.1788 0.0000 174.2467 125 V 4.1290 7.6169 112.1744 61.2437 31.9793 175.8756 126 Y 3.0912 8.0983 117.7221 58.1281 37.7316 169.5479 127 A 4.7383 7.7040 119.4019 52.0505 19.8655 177.6856 128 N 4.7256 8.8323 116.6417 51.6940 40.0556 172.1745 129 V 4.2900 7.9413 123.8650 61.8323 32.3374 175.3518 130 I 3.3182 8.0978 122.3412 60.0009 37.8910 174.2923 131 P 4.2303 0.0000 0.0000 65.5685 31.3037 177.0679 132 K 3.9824 7.6717 118.8733 56.6363 32.3172 175.7116 133 Q 4.7873 8.3240 123.1149 54.4709 32.0429 173.8333 134 L 4.8832 8.3632 121.3567 53.3559 46.2835 175.1367 135 V 4.8932 8.2287 122.0398 61.0854 34.6770 174.3574 136 L 4.6178 8.8694 128.1143 53.2870 43.7565 176.2197 137 D 5.3800 8.6773 123.8704 51.6147 42.9210 175.8798 138 P 4.2143 0.0000 0.0000 65.8164 31.3580 179.4815 139 V 3.5615 7.7206 116.1941 64.2168 31.4930 176.3071 140 H 4.6688 8.4659 117.0932 55.6359 29.1464 174.2876 141 I 4.6527 7.6947 121.3071 59.5335 39.6279 175.8339 142 D 4.6455 8.5544 126.5143 52.1936 39.5178 176.6238 143 V 3.6692 7.9251 123.1567 64.9738 32.2435 176.9603 144 E 4.1201 7.9753 119.2147 58.8698 29.3759 178.2558 145 N 4.8111 8.0769 113.4989 53.1937 38.2338 174.2190 146 A 3.7937 8.1459 117.6015 53.5871 16.3004 176.7385 147 T 4.7475 7.6203 115.1757 60.6065 71.8987 174.1342 148 V 4.0534 8.0439 119.3854 60.9693 32.5103 176.0554 149 A 4.0213 8.5962 126.7793 51.9314 19.1279 178.2348 150 E 3.8561 9.1977 122.0999 59.8016 29.4223 179.6091 151 N 4.3635 8.2099 114.5518 55.2506 37.3458 175.4067 152 I 4.3146 7.8369 119.3375 61.0888 39.6902 176.8195 153 K 3.9120 7.9903 119.5476 59.8207 31.3340 178.5011 154 E 3.9627 8.1256 118.8539 59.5883 29.7426 178.4505 155 S 4.1422 8.0329 115.0917 61.7877 62.9092 176.4765 156 I 3.6787 7.8456 121.5832 64.8697 36.7992 177.6471 157 K 4.2607 8.3777 121.2878 59.1982 31.9702 178.5421 158 E 4.0590 8.1918 116.9296 58.6218 29.4782 178.8780 159 L 3.8751 7.7234 121.6830 58.3351 42.3045 178.9508 160 V 3.4501 7.6576 118.1910 65.7524 31.1061 177.6350 161 E 3.9963 8.2351 118.8586 59.3281 29.6160 178.2039 162 E 4.1720 8.2824 118.5668 58.8313 29.9263 178.1655 163 L 4.1588 8.0650 121.0725 57.8999 42.3426 181.4132 164 S 4.1000 8.1483 115.7638 58.2591 62.5643 176.1550 *166 F 4.3721 8.1905 122.2753 58.6431 41.0209 177.5900 167 A 4.1172 8.1108 122.7840 55.2468 18.3173 179.0062 168 K 4.0956 8.1906 113.9939 59.3470 32.4297 178.4982 169 A 4.1004 8.2935 120.9570 54.6025 18.3598 177.3663 170 G 3.7383 7.6524 106.5790 45.7638 0.0000 172.3212 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 4 L 8.04 4.54 0.00 1.77 1.59 0.95 0.41 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 5 V 8.95 4.64 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 0.95 0.00 0.00 0.90 0.00 0.00 6 I 8.70 4.78 1.85 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 1.05 0.48 0.86 0.00 0.00 7 N 8.84 4.81 0.00 2.86 2.67 0.00 0.00 6.68 8.18 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 8 G 8.55 3.60 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 0.00 0.00 0.00 9 T 7.95 3.88 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 1.33 0.00 0.00 10 P 0.00 4.54 0.00 2.29 2.20 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 11 R 7.70 4.37 0.00 1.75 1.66 0.00 3.26 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 1.61 1.67 0.00 12 K 8.84 4.05 0.00 1.81 1.94 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.49 7.81 13 H 7.84 5.00 0.00 3.22 3.36 0.00 5.70 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 14 G 7.68 4.19 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 0.00 0.00 0.00 15 R 8.42 3.95 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 16 T 7.86 3.89 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 1.22 0.00 0.00 17 R 7.66 4.17 0.00 1.86 2.10 0.00 3.30 0.00 0.00 3.44 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 18 I 7.77 3.68 2.06 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 1.60 0.71 0.97 0.00 0.00 19 A 7.75 4.01 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 20 A 8.10 3.94 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 21 S 8.13 4.08 0.00 4.12 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 22 Y 8.42 4.14 0.00 3.06 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 23 I 8.14 3.51 1.88 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 1.50 1.05 0.75 0.00 0.00 24 A 8.54 4.55 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 25 A 8.24 4.02 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 26 L 8.14 3.63 0.00 1.10 1.37 0.70 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.94 4.20 0.00 3.17 2.91 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 28 H 7.92 4.32 0.00 3.26 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.62 4.80 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 1.33 0.00 0.00 30 D 8.60 4.69 0.00 2.83 2.58 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 0.00 0.00 0.00 31 L 8.53 5.06 0.00 1.66 1.52 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.56 4.36 1.69 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.61 0.27 0.00 0.00 33 D 8.47 4.80 0.00 2.77 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 34 L 8.10 4.60 0.00 2.01 1.74 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.12 4.50 0.00 3.96 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 36 E 8.18 4.49 0.00 2.09 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 2.24 2.53 0.00 37 F 8.60 4.31 0.00 3.18 3.07 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 38 V 7.72 4.59 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 0.96 0.00 0.00 1.00 0.00 0.00 39 L 8.30 4.92 0.00 2.01 1.69 1.28 1.32 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 40 P 0.00 4.53 0.00 2.30 2.12 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.00 0.00 41 V 8.43 3.82 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 0.94 0.00 0.00 0.98 0.00 0.00 42 F 8.40 4.39 0.00 1.92 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.57 4.47 0.00 2.63 2.72 0.00 0.00 6.95 7.86 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 44 G 6.55 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 0.00 0.00 0.00 45 E 7.85 4.55 0.00 2.14 2.02 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 2.28 2.27 0.00 46 A 8.70 3.89 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 47 E 8.37 3.91 0.00 2.08 2.14 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 2.29 2.28 0.00 48 Q 8.30 4.05 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 49 S 8.06 4.53 0.00 4.07 4.04 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 0.00 0.00 0.00 50 E 7.97 4.73 0.00 1.87 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 2.21 2.30 0.00 51 L 7.64 4.60 0.00 1.69 1.09 0.95 0.96 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 52 L 8.54 4.34 0.00 1.56 1.45 0.87 0.84 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 53 K 7.65 3.60 0.00 1.58 1.50 0.00 1.28 0.00 0.00 1.48 0.00 0.00 2.64 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.57 0.21 7.81 54 V 7.69 3.50 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 0.84 0.00 0.00 0.33 0.00 0.00 55 Q 7.59 4.09 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 56 E 8.13 3.95 0.00 2.12 2.30 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 2.67 2.49 0.00 57 L 8.45 3.89 0.00 2.08 1.93 0.70 0.63 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 58 K 8.03 3.91 0.00 1.97 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.81 7.81 59 Q 8.01 3.96 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 60 R 8.47 3.92 0.00 1.76 2.11 0.00 3.34 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 61 V 7.40 3.49 1.88 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 0.03 0.00 0.00 0.86 0.00 0.00 62 T 7.43 3.92 4.19 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 1.27 0.00 0.00 63 K 7.53 4.23 0.00 1.86 1.93 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.56 7.81 64 A 7.02 4.20 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 65 D 8.77 4.49 0.00 2.70 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 66 A 7.66 5.04 1.19 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 0.00 0.00 67 I 8.63 4.71 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.23 0.96 0.00 0.00 68 V 9.04 4.11 2.03 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 0.87 0.00 0.00 0.85 0.00 0.00 69 L 8.37 4.72 0.00 1.79 1.47 0.91 0.44 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 70 L 8.42 5.68 0.00 1.79 1.47 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.19 4.81 0.00 3.75 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 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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 82 L 8.08 3.87 0.00 1.68 1.74 0.89 0.65 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 83 K 8.09 3.92 0.00 1.88 1.75 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.60 7.81 84 N 8.05 4.28 0.00 2.91 2.97 0.00 0.00 7.05 7.78 0.00 0.00 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 A 8.03 4.23 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 86 L 7.90 4.09 0.00 1.81 1.65 0.84 0.90 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 87 D 7.42 4.17 0.00 2.27 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 0.00 0.00 0.00 0.00 88 F 7.34 4.56 0.00 3.20 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 89 L 7.48 4.52 0.00 1.89 1.73 1.01 0.78 0.00 0.00 0.00 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0.00 0.00 1.45 1.40 7.81 133 Q 8.32 4.79 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.57 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 134 L 8.36 4.88 0.00 1.67 1.44 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.23 4.89 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 0.92 0.00 0.00 0.90 0.00 0.00 136 L 8.87 4.62 0.00 1.59 1.55 0.89 1.11 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 0.00 137 D 8.68 5.38 0.00 2.62 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 0.00 138 P 0.00 4.21 0.00 2.16 2.11 0.00 3.60 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 139 V 7.72 3.56 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 0.49 0.00 0.00 0.83 0.00 0.00 140 H 8.47 4.67 0.00 3.36 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.69 4.65 1.87 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 1.33 0.88 0.90 0.00 0.00 142 D 8.55 4.65 0.00 2.61 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 0.00 143 V 7.93 3.67 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 0.83 0.00 0.00 0.94 0.00 0.00 144 E 7.98 4.12 0.00 2.01 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 2.33 2.30 0.00 145 N 8.08 4.81 0.00 2.85 2.85 0.00 0.00 6.21 7.26 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 0.00 146 A 8.15 3.79 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 0.00 147 T 7.62 4.75 4.28 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 1.26 0.00 0.00 148 V 8.04 4.05 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 0.46 0.00 0.00 -0.26 0.00 0.00 149 A 8.60 4.02 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 0.00 150 E 9.20 3.86 0.00 1.98 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 2.40 2.35 0.00 151 N 8.21 4.36 0.00 2.88 2.98 0.00 0.00 5.76 7.81 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 0.00 152 I 7.84 4.31 1.90 0.00 0.00 0.68 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 1.25 0.98 0.00 0.00 153 K 7.99 3.91 0.00 1.90 2.01 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.52 7.81 154 E 8.13 3.96 0.00 2.10 1.96 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 2.39 2.62 0.00 155 S 8.03 4.14 0.00 4.00 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 0.00 156 I 7.85 3.68 2.01 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 1.53 0.71 0.99 0.00 0.00 157 K 8.38 4.26 0.00 2.14 2.07 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.18 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.71 1.47 7.81 158 E 8.19 4.06 0.00 2.28 2.23 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 2.64 2.33 0.00 159 L 7.72 3.88 0.00 1.76 1.86 0.88 0.90 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 0.00 160 V 7.66 3.45 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 0.51 0.00 0.00 0.57 0.00 0.00 161 E 8.24 4.00 0.00 2.29 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 2.38 2.39 0.00 162 E 8.28 4.17 0.00 2.15 2.14 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 2.57 2.51 0.00 163 L 8.07 4.16 0.00 1.87 1.80 0.90 0.71 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 0.00 164 S 8.15 4.10 0.00 4.15 4.14 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 *166 F 8.19 4.37 0.00 3.36 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 0.00 167 A 8.11 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 168 K 8.19 4.10 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.62 7.81 169 A 8.29 4.10 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 0.00 170 G 7.65 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.