NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.2960 8.2649 122.4550 52.0243 21.2080 177.5730 18 Y 3.7949 7.5980 113.8353 57.1975 38.9222 173.7790 19 S 4.9155 8.9917 119.3621 56.6137 65.3821 172.4324 20 F 5.2679 8.9838 126.2156 55.5536 42.3963 174.2920 21 K 5.1285 8.8393 123.6403 54.8187 34.4740 174.7991 22 V 5.5249 9.5416 127.3265 59.9951 35.0410 174.2791 23 V 4.9988 8.4112 126.1304 59.9638 34.2967 174.0625 24 L 5.1074 8.8649 124.2548 53.4059 43.1127 175.9924 25 L 4.6368 9.7394 122.8368 52.3235 46.2426 176.1238 26 G 4.5787 8.5788 109.7122 43.9851 0.0000 171.9194 27 E 4.3160 8.2046 120.1495 55.6749 30.0582 178.6876 28 G 3.8086 8.6488 108.5357 48.1275 0.0000 173.9462 29 C 4.7410 7.9262 118.3048 59.1455 32.0960 174.7314 30 V 3.9193 7.4572 112.1456 61.6636 31.6966 177.0701 31 G 4.2753 8.3435 108.8673 45.6947 0.0000 176.1296 32 K 3.9434 8.5689 119.9847 59.7249 32.1347 178.9354 33 T 4.1460 7.8040 116.6389 66.2053 68.4073 176.8148 34 S 4.2545 8.1234 116.6956 61.4900 62.9224 176.5310 35 L 4.0541 8.3029 121.9416 57.9237 41.3659 179.8379 36 V 3.7489 7.6822 118.2877 65.9529 31.4245 177.8188 37 L 3.9556 8.4560 120.6370 57.9903 41.8847 179.0217 38 R 4.2063 8.1089 120.0896 59.2044 29.9154 177.8681 39 Y 4.2281 8.0951 117.9908 60.5441 38.8385 176.9778 40 C 4.2895 8.2287 116.0730 60.3189 29.2108 174.2404 41 E 4.4500 8.2421 116.6817 54.8847 30.8601 174.9658 42 N 4.2809 8.0328 116.5805 54.8201 37.5659 173.3359 43 K 4.8309 7.6148 114.1862 54.7319 36.3647 175.5354 44 F 4.9443 8.4393 121.2697 57.0292 42.3325 173.1714 45 N 4.8159 7.3979 124.2195 51.3715 41.0650 174.5652 46 D 4.3463 8.4152 122.0380 56.5487 41.4767 177.3141 47 K 3.9187 7.6920 120.0096 56.2911 32.6650 175.5579 48 H 4.3937 8.7222 126.1844 55.5853 29.3927 174.6844 49 I 4.1315 7.8939 129.1965 59.4017 37.2646 175.6544 50 T 3.8983 7.9643 120.6413 61.7826 68.0501 174.0275 51 T 4.1008 8.4894 125.3801 63.6773 68.7946 175.0426 52 L 4.5347 8.3938 125.7541 55.2247 42.6592 176.1765 53 Q 4.7465 7.5881 117.7894 54.3372 31.9569 173.6077 54 A 5.0833 9.1410 127.6747 52.1962 19.0699 176.8649 55 S 4.7676 8.8130 115.5272 56.4780 66.9347 172.7809 56 F 4.9087 7.7727 115.3008 54.9555 40.5422 174.2617 57 L 4.5156 8.3485 118.4531 53.3912 46.4193 175.3444 58 T 5.0807 8.4514 118.0196 61.9071 70.4748 173.6351 59 K 4.4588 9.3240 128.7080 54.8730 34.2183 174.9745 60 K 5.1389 8.5641 126.2807 54.8604 34.1112 175.6256 61 L 4.9057 8.9009 123.4709 53.0160 46.5255 174.6415 62 N 5.4666 8.8151 120.1650 52.0366 41.0076 174.0559 63 I 4.4621 8.8980 126.8140 60.3421 40.2224 175.7371 64 G 3.8887 9.5909 115.9797 46.7476 0.0000 174.3238 65 G 3.9017 8.5370 107.8341 45.9100 0.0000 174.6413 66 K 4.6465 7.7501 121.9571 52.7756 33.7915 181.1075 67 R 4.8348 8.3228 121.9464 55.2479 32.0065 175.6229 68 V 4.8503 9.0987 122.3269 61.3391 35.1876 173.7112 69 N 5.2716 9.3444 126.0202 51.7469 40.6028 173.6859 70 L 5.1091 9.3188 127.5446 53.2604 44.2426 175.2085 71 A 4.8834 9.2181 130.5583 51.4061 20.0420 176.0009 72 I 4.8168 9.0383 124.9644 60.1751 39.1935 175.2012 73 W 5.0428 9.6399 128.9315 55.3256 30.3621 175.5739 74 D 5.1758 9.1224 125.7906 53.7126 42.6053 175.1264 75 T 4.8681 8.2775 112.6050 59.6019 72.2050 174.5268 76 A 4.4725 8.5623 124.1328 52.9420 18.5550 178.0036 77 G 4.4233 7.3981 110.7097 46.0854 0.0000 174.3601 *90 R 4.2674 8.0045 118.8685 56.0536 31.7125 175.6277 91 D 4.4723 7.9424 115.7374 56.1477 41.6685 176.6495 92 S 4.4629 7.7508 114.6756 58.6676 63.5477 173.6349 93 N 4.7262 9.2620 121.2817 54.4138 39.9392 174.9165 94 G 4.4383 7.6283 103.9136 45.2773 0.0000 172.1787 95 A 5.1304 8.9706 122.6656 50.0560 22.9918 175.2499 96 I 4.3931 9.0013 123.7466 59.7394 39.3566 175.2090 97 L 4.8341 9.2203 129.6478 53.3034 42.6856 175.7960 98 V 4.8124 8.7917 125.3847 61.5917 32.9022 174.4951 99 Y 5.0838 9.1129 124.8722 55.3622 42.4513 173.2203 100 D 5.3126 9.2936 120.0540 52.3363 42.7219 177.2895 101 I 4.0226 8.5286 120.1463 63.5705 37.7983 177.4015 102 T 4.4809 8.1987 109.2332 61.2550 68.7938 174.4394 103 D 4.6763 8.1765 122.3527 51.4615 42.2468 174.9215 104 E 4.0446 8.8996 126.9546 59.3841 29.7292 177.8543 105 D 4.4089 8.2854 118.4435 57.5731 40.6977 178.9106 106 S 4.2571 8.5788 113.8083 61.2533 63.3090 176.2169 107 F 4.1910 7.9397 123.6795 61.3214 39.1909 177.2627 108 Q 3.5722 8.1089 120.1041 59.3187 28.2388 179.6624 109 K 4.0054 7.8865 124.1104 59.4416 31.6314 181.9415 110 V 4.0338 7.5486 117.3274 66.4505 31.3367 178.2348 111 K 4.6135 7.7993 121.9691 59.4331 31.7564 179.6744 112 N 4.2777 7.7274 118.4179 57.2879 37.5089 180.3673 113 W 4.4203 8.0533 121.1430 59.4141 29.2289 178.5441 114 V 3.7257 8.2215 120.6903 66.6943 31.0571 178.6068 115 K 3.9213 8.1882 123.3331 59.9413 31.5030 180.4803 116 E 4.1170 8.2966 120.5896 59.1350 29.5618 178.9367 117 L 4.1225 8.7059 119.3780 57.8512 41.6033 179.7118 118 R 4.1615 8.7353 120.8924 59.8164 29.7946 179.7868 119 K 3.9584 7.9103 122.2830 60.0215 31.7292 180.3761 120 M 4.4061 8.0171 118.3444 57.9393 32.2662 177.5076 121 L 4.6741 8.2896 116.5404 54.5651 43.2117 177.7020 122 G 4.0292 8.5554 108.1885 46.8567 0.0000 174.6135 123 N 4.6495 8.7280 120.3233 53.6522 39.0857 175.6264 124 E 4.0200 7.8192 120.2594 59.0404 29.8958 177.1914 125 I 3.9481 7.4971 118.3600 60.9171 38.9981 175.1583 126 C 4.3993 8.7681 127.6551 59.4764 29.3583 172.4237 127 L 5.0342 8.5255 124.2483 53.3853 43.8335 175.2403 128 C 5.4623 9.1338 121.1657 58.0600 31.5285 172.9068 129 I 4.9375 8.9932 124.8997 59.8307 39.1520 174.8524 130 V 4.6325 9.1627 128.7989 60.9176 33.9417 175.0757 131 G 3.0603 8.7904 117.5324 45.1461 0.0000 172.1161 132 N 5.1220 8.4957 126.3932 51.5448 41.5114 174.3800 133 K 4.3186 8.7388 117.0458 58.0433 28.6597 178.3430 134 I 3.8548 7.7386 112.9975 62.6115 37.9653 176.7385 135 D 4.4424 8.0842 121.3699 56.0845 39.5220 176.6391 136 L 4.4688 7.8759 120.0049 54.5353 42.3790 178.5437 137 E 3.9329 8.2745 121.8935 59.1373 29.9352 178.5990 138 K 3.9344 8.1472 117.2098 58.8941 31.8820 177.1462 139 E 4.6122 8.0990 117.2805 55.6943 29.8538 175.5293 140 R 4.2541 7.7502 119.9127 57.2545 30.3409 175.8927 141 H 4.8384 9.3089 120.3238 55.0942 30.4475 173.1471 142 V 4.2263 7.5667 119.5094 60.7165 33.3814 175.6174 143 S 4.2437 8.2421 121.2958 58.0098 63.8618 174.9758 144 I 3.7490 8.4313 132.2696 65.1123 36.9276 179.1932 145 Q 3.9860 7.9471 121.0593 60.1477 27.9900 180.0651 146 E 4.1151 7.8779 121.5051 58.8970 29.5979 178.6690 147 A 3.8866 7.7444 120.6717 55.3784 18.4743 179.5654 148 E 3.8909 8.4302 117.6728 59.4719 29.5298 179.8145 149 S 4.1623 8.5108 114.8743 61.3340 62.8625 175.8783 150 Y 3.9949 8.6205 123.3584 60.4218 38.5770 177.5375 151 A 4.0113 8.5568 124.5369 56.2464 18.4735 180.1265 152 E 3.9449 8.2423 116.5566 61.2282 29.5343 181.3246 153 S 4.4175 7.7498 113.7612 60.3176 63.0147 175.4914 154 V 4.0563 6.8024 113.8258 60.7247 31.6232 176.0750 155 G 3.7385 7.9032 106.7920 46.0848 0.0000 173.7126 156 A 4.8142 7.9904 121.0010 50.0490 21.4505 176.9617 157 K 4.4777 8.4445 119.7761 54.9528 34.6860 174.6499 158 H 5.3277 8.5020 126.1776 55.4809 31.4187 173.6126 159 Y 4.7685 8.8602 121.0467 56.6074 42.2598 173.6427 160 H 5.5155 8.7702 118.9043 54.4619 31.2076 173.6706 161 T 4.8705 8.8348 111.9548 60.3169 73.1779 172.7636 162 S 4.7964 8.9377 116.1447 56.5632 64.7060 174.4500 163 A 4.0155 8.8258 131.5215 55.1899 18.5632 179.3905 164 K 2.4800 7.6109 115.6562 58.6370 32.1933 177.4003 165 Q 4.1442 7.9188 114.6814 54.8307 29.7162 174.6688 166 N 4.1557 7.3698 114.7619 54.8060 37.6833 173.7870 167 K 4.4949 8.2167 118.3023 55.8136 35.4568 178.2859 168 G 4.1376 8.7917 109.9865 47.1036 0.0000 175.3097 169 I 3.6015 7.6528 120.8703 64.1709 37.4853 177.3840 170 E 4.2981 8.4319 119.0124 60.0260 29.3470 179.2632 171 E 4.0346 8.1625 118.3267 58.7941 29.7637 177.8799 172 L 3.2488 7.6881 120.5093 58.3438 41.9637 179.1943 173 F 4.0349 7.6786 117.2938 60.1301 38.7153 177.5452 174 L 3.9987 8.0270 120.0627 58.3197 41.9376 178.5006 175 D 4.3290 8.5854 118.3147 57.2313 41.0867 177.8478 176 L 3.8743 7.9855 120.8733 58.3266 42.0534 178.7321 177 C 3.9472 8.2036 116.5391 62.7382 27.9882 176.1115 178 K 3.8518 8.1414 120.0172 59.7674 31.4706 179.5421 179 R 4.1913 7.9174 118.3743 59.0418 30.0347 178.8305 180 M 3.8970 7.6919 117.4136 57.7471 31.8127 178.4808 181 I 3.7972 7.1888 119.8749 63.7472 37.2822 177.6597 182 E 4.1410 8.1333 121.4560 60.2352 29.0923 177.9011 183 T 4.1081 7.8887 115.0005 60.8771 68.4379 175.2854 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 17 A 8.26 4.30 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 18 Y 7.60 3.79 0.00 2.97 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 0.00 0.00 0.00 19 S 8.99 4.92 0.00 3.73 3.63 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 20 F 8.98 5.27 0.00 3.10 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 21 K 8.84 5.13 0.00 1.91 1.71 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.59 7.81 22 V 9.54 5.52 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 1.35 0.00 0.00 0.99 0.00 0.00 23 V 8.41 5.00 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 0.66 0.00 0.00 0.87 0.00 0.00 24 L 8.86 5.11 0.00 1.66 1.64 1.06 0.84 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 25 L 9.74 4.64 0.00 1.03 0.57 -0.18 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.58 4.58 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 0.00 0.00 0.00 27 E 8.20 4.32 0.00 2.09 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 2.50 2.32 0.00 28 G 8.65 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 29 C 7.93 4.74 0.00 2.85 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 30 V 7.46 3.92 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 0.87 0.00 0.00 1.06 0.00 0.00 31 G 8.34 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 0.00 0.00 0.00 0.00 32 K 8.57 3.94 0.00 1.85 1.90 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.57 7.81 33 T 7.80 4.15 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 34 S 8.12 4.25 0.00 4.16 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 0.00 35 L 8.30 4.05 0.00 1.94 1.79 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.68 3.75 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 1.07 0.00 0.00 1.11 0.00 0.00 37 L 8.46 3.96 0.00 1.84 1.73 0.95 0.75 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 38 R 8.11 4.21 0.00 2.14 2.23 0.00 3.38 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 39 Y 8.10 4.23 0.00 3.22 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 40 C 8.23 4.29 0.00 3.03 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 41 E 8.24 4.45 0.00 2.01 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 2.18 2.15 0.00 42 N 8.03 4.28 0.00 2.80 2.83 0.00 0.00 6.90 6.72 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 43 K 7.61 4.83 0.00 1.82 1.65 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.59 7.81 44 F 8.44 4.94 0.00 2.94 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 45 N 7.40 4.82 0.00 2.43 2.48 0.00 0.00 7.07 8.06 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 46 D 8.42 4.35 0.00 2.65 2.73 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 47 K 7.69 3.92 0.00 1.67 1.65 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.40 7.81 48 H 8.72 4.39 0.00 3.12 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.89 4.13 1.81 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 1.24 0.67 0.86 0.00 0.00 50 T 7.96 3.90 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 1.19 0.00 0.00 51 T 8.49 4.10 4.37 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 1.30 0.00 0.00 52 L 8.39 4.53 0.00 1.64 1.72 0.92 0.91 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 53 Q 7.59 4.75 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 54 A 9.14 5.08 1.53 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 55 S 8.81 4.77 0.00 3.64 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 56 F 7.77 4.91 0.00 1.82 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 57 L 8.35 4.52 0.00 1.44 1.39 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.45 5.08 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 1.25 0.00 0.00 59 K 9.32 4.46 0.00 1.81 1.68 0.00 1.33 0.00 0.00 1.25 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.50 1.47 7.81 60 K 8.56 5.14 0.00 1.65 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.44 7.81 61 L 8.90 4.91 0.00 1.63 1.56 1.05 0.30 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 62 N 8.82 5.47 0.00 2.74 2.72 0.00 0.00 6.80 7.94 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 63 I 8.90 4.46 1.93 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 1.29 0.74 0.94 0.00 0.00 64 G 9.59 3.89 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 0.00 0.00 0.00 65 G 8.54 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 K 7.75 4.65 0.00 1.70 1.68 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.26 7.81 67 R 8.32 4.83 0.00 1.77 1.89 0.00 3.03 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 68 V 9.10 4.85 2.29 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 1.19 0.00 0.00 1.15 0.00 0.00 69 N 9.34 5.27 0.00 2.63 2.74 0.00 0.00 6.09 6.40 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 70 L 9.32 5.11 0.00 1.85 1.78 1.08 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 71 A 9.22 4.88 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.04 4.82 1.82 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.98 0.00 0.00 73 W 9.64 5.04 0.00 3.37 3.25 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 74 D 9.12 5.18 0.00 2.83 2.55 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 75 T 8.28 4.87 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 1.25 0.00 0.00 76 A 8.56 4.47 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 77 G 7.40 4.42 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 0.00 *90 R 8.00 4.27 0.00 1.80 1.99 0.00 3.23 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 91 D 7.94 4.47 0.00 2.53 2.53 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 92 S 7.75 4.46 0.00 3.87 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 93 N 9.26 4.73 0.00 2.69 2.85 0.00 0.00 6.58 7.23 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 94 G 7.63 4.44 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 0.00 0.00 0.00 95 A 8.97 5.13 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 96 I 9.00 4.39 1.79 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 0.94 0.59 0.71 0.00 0.00 97 L 9.22 4.83 0.00 1.73 1.72 1.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.79 4.81 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 0.94 0.00 0.00 99 Y 9.11 5.08 0.00 3.18 3.16 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 0.00 100 D 9.29 5.31 0.00 2.78 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 0.00 101 I 8.53 4.02 1.93 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 1.58 0.98 0.91 0.00 0.00 102 T 8.20 4.48 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 1.24 0.00 0.00 103 D 8.18 4.68 0.00 2.71 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 0.00 104 E 8.90 4.04 0.00 2.16 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 2.41 2.52 0.00 105 D 8.29 4.41 0.00 3.03 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 0.00 106 S 8.58 4.26 0.00 4.14 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 0.00 107 F 7.94 4.19 0.00 2.79 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 0.00 108 Q 8.11 3.57 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.56 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 109 K 7.89 4.01 0.00 1.79 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 110 V 7.55 4.03 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 1.09 0.00 0.00 1.14 0.00 0.00 111 K 7.80 4.61 0.00 1.73 1.72 0.00 1.38 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.35 0.73 7.81 112 N 7.73 4.28 0.00 2.77 2.83 0.00 0.00 6.97 7.84 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 0.00 113 W 8.05 4.42 0.00 3.61 3.25 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 0.00 114 V 8.22 3.73 2.42 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 0.94 0.00 0.00 1.17 0.00 0.00 115 K 8.19 3.92 0.00 1.81 1.82 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.34 7.81 116 E 8.30 4.12 0.00 2.09 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 0.00 2.10 2.43 0.00 117 L 8.71 4.12 0.00 1.86 1.77 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.74 4.16 0.00 1.85 1.99 0.00 3.31 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 119 K 7.91 3.96 0.00 1.87 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 120 M 8.02 4.41 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 121 L 8.29 4.67 0.00 1.68 1.63 0.93 0.85 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 0.00 122 G 8.56 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 0.00 123 N 8.73 4.65 0.00 2.72 2.85 0.00 0.00 6.68 7.66 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 0.00 124 E 7.82 4.02 0.00 1.97 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 0.00 2.34 2.31 0.00 125 I 7.50 3.95 1.88 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 1.34 1.03 0.92 0.00 0.00 126 C 8.77 4.40 0.00 2.87 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 0.00 127 L 8.53 5.03 0.00 1.61 1.61 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 128 C 9.13 5.46 0.00 2.71 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 0.00 129 I 8.99 4.94 2.16 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 1.40 0.00 0.00 130 V 9.16 4.63 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 0.68 0.00 0.00 0.80 0.00 0.00 131 G 8.79 3.06 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 0.00 0.00 0.00 132 N 8.50 5.12 0.00 2.73 2.81 0.00 0.00 7.12 5.82 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 0.00 133 K 8.74 4.32 0.00 2.03 1.95 0.00 2.28 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 134 I 7.74 3.85 1.80 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 1.50 0.48 0.98 0.00 0.00 135 D 8.08 4.44 0.00 2.79 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 0.00 136 L 7.88 4.47 0.00 1.83 1.71 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.27 3.93 0.00 2.19 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 2.34 2.37 0.00 138 K 8.15 3.93 0.00 1.78 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 139 E 8.10 4.61 0.00 2.04 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 2.25 2.22 0.00 140 R 7.75 4.25 0.00 1.84 1.83 0.00 3.23 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 141 H 9.31 4.84 0.00 3.26 3.26 0.00 5.67 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 0.00 142 V 7.57 4.23 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 -0.05 0.00 0.00 1.07 0.00 0.00 143 S 8.24 4.24 0.00 3.87 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 0.00 144 I 8.43 3.75 1.86 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 1.58 0.46 0.95 0.00 0.00 145 Q 7.95 3.99 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 146 E 7.88 4.12 0.00 1.95 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 2.42 2.38 0.00 147 A 7.74 3.89 1.11 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 0.00 0.00 148 E 8.43 3.89 0.00 1.99 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 2.24 2.25 0.00 149 S 8.51 4.16 0.00 4.04 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 0.00 150 Y 8.62 3.99 0.00 3.21 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 0.00 151 A 8.56 4.01 1.49 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 0.00 152 E 8.24 3.94 0.00 2.00 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 2.24 2.19 0.00 153 S 7.75 4.42 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 0.00 154 V 6.80 4.06 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 0.31 0.00 0.00 0.61 0.00 0.00 155 G 7.90 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 0.00 156 A 7.99 4.81 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 0.00 157 K 8.44 4.48 0.00 1.85 1.68 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.42 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.71 1.14 7.81 158 H 8.50 5.33 0.00 3.21 3.09 0.00 5.73 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 0.00 159 Y 8.86 4.77 0.00 2.71 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 0.00 160 H 8.77 5.52 0.00 3.07 3.14 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.83 4.87 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 1.13 0.00 0.00 162 S 8.94 4.80 0.00 3.83 3.63 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 0.00 163 A 8.83 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 K 7.61 2.48 0.00 0.87 1.44 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.08 0.71 7.81 165 Q 7.92 4.14 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.43 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 166 N 7.37 4.16 0.00 2.83 2.80 0.00 0.00 6.91 6.56 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 0.00 167 K 8.22 4.49 0.00 1.79 1.64 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.30 7.81 168 G 8.79 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 0.00 0.00 0.00 169 I 7.65 3.60 2.03 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 1.62 0.72 1.04 0.00 0.00 170 E 8.43 4.30 0.00 2.07 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 2.55 2.44 0.00 171 E 8.16 4.03 0.00 2.13 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 2.44 2.53 0.00 172 L 7.69 3.25 0.00 1.41 1.40 -0.20 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.68 4.03 0.00 2.78 2.84 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 0.00 174 L 8.03 4.00 0.00 1.95 1.76 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.59 4.33 0.00 3.14 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 0.00 176 L 7.99 3.87 0.00 1.66 1.74 0.83 0.78 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 0.00 177 C 8.20 3.95 0.00 3.22 3.03 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 0.00 178 K 8.14 3.85 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.69 7.81 179 R 7.92 4.19 0.00 1.84 1.94 0.00 3.27 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 180 M 7.69 3.90 0.00 0.51 1.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 181 I 7.19 3.80 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.38 0.75 0.00 0.00 182 E 8.13 4.14 0.00 2.14 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 2.31 0.00 183 T 7.89 4.11 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.