NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6043 8.2893 120.3307 55.3114 33.5659 175.6119 2 T 4.0842 8.6785 113.4487 60.8421 71.1110 174.3938 3 N 4.3558 9.3768 119.9909 56.5038 38.9978 178.9474 4 I 3.7257 7.7704 120.7841 64.4661 37.1912 178.1501 5 E 4.0474 8.4338 119.6731 59.2738 29.1949 179.4154 6 I 3.2321 7.7991 119.8901 64.2526 37.0868 178.4280 7 L 4.0125 7.9631 119.6753 57.9060 41.4284 179.4029 8 E 3.9266 8.6032 118.9074 59.4332 29.3832 179.0450 9 N 4.2883 8.2298 117.1488 56.8448 38.9973 176.8230 10 M 4.0163 8.1329 120.2056 58.3739 31.9892 178.6784 11 L 3.6828 7.8323 119.0540 57.5777 41.7171 179.7229 12 K 3.1808 7.5053 118.2266 59.2488 31.9009 179.4289 13 L 3.9946 7.9259 119.1712 57.7224 41.4069 179.3886 14 Q 3.8857 8.4175 119.9801 59.0538 28.9086 177.7952 15 Q 4.1679 8.2936 121.0596 59.3265 29.1122 178.5092 16 K 3.9649 8.1918 120.4105 59.4465 32.1744 178.4292 17 L 3.9756 8.1226 120.7443 58.3716 41.9593 178.7809 18 N 4.0438 8.3078 116.5935 56.0330 38.2481 177.1704 19 D 4.6777 8.4798 120.6655 57.6562 40.7496 178.7759 20 E 4.0591 8.0999 117.8608 59.5605 29.5189 179.2783 21 T 4.1042 8.0857 115.2919 65.9466 69.0168 175.8594 22 N 4.9360 8.6501 116.2745 51.1381 39.5031 175.1342 23 G 4.4051 7.8204 109.4592 44.4619 0.0000 173.3761 24 L 4.1784 8.3247 118.9192 55.9829 42.3185 176.8270 25 N 4.3426 9.0825 116.0899 53.4317 36.0115 176.5552 26 W 4.6649 7.6951 117.3127 59.4794 27.8388 177.9265 27 E 3.6585 7.1161 118.2542 58.9263 28.8360 177.9163 28 N 4.6192 7.9316 114.3535 53.1159 39.0464 175.3719 29 G 3.9962 8.0158 106.2356 45.5011 0.0000 173.3661 30 Y 5.0200 7.7255 116.6809 56.0159 41.8590 175.2584 31 T 4.5115 8.6666 114.0833 60.7966 69.9093 175.5261 32 K 3.9662 8.4457 123.2082 59.6203 32.1156 177.4233 33 E 4.2018 8.1847 115.2967 56.6768 29.5905 176.8669 34 G 3.9554 8.3042 107.2072 45.8528 0.0000 173.4121 35 K 4.5029 8.1439 119.1075 54.7623 33.7388 176.2052 36 L 3.6191 8.4330 126.7560 54.8670 42.9155 175.7433 37 I 3.9063 7.9705 127.4139 59.5292 38.8779 175.4709 38 S 4.2222 7.8066 120.9017 55.3001 63.5004 174.0622 39 W 4.3393 8.1626 128.9928 59.3740 28.8035 178.4202 40 R 3.9634 8.0978 117.9006 59.4307 29.5194 178.7029 41 R 2.5100 7.6881 118.0691 59.0869 29.9386 178.1852 42 C 3.4612 7.5644 116.3399 62.5892 27.8225 176.2213 43 I 3.7228 7.6815 121.6899 64.5958 36.8085 178.1772 44 Y 4.2018 7.8020 118.4894 60.3362 37.7140 178.2481 45 M 4.1158 7.9186 120.9532 58.2445 31.9562 178.3013 46 E 4.0670 8.3491 119.5823 59.3020 29.7233 178.4620 47 C 4.1346 8.6000 117.1675 62.9000 28.2207 175.9836 48 A 3.9448 8.1114 122.2149 55.1303 17.7188 179.4900 49 E 3.9396 7.9813 116.2295 59.4483 29.7623 178.9839 50 L 4.1115 8.2623 120.5342 58.3161 42.1883 178.9478 51 I 3.9224 8.1145 119.9903 64.6703 36.8582 177.7875 52 D 4.8642 7.9601 117.5421 56.4309 40.7088 178.1981 53 S 4.0468 7.9870 115.3998 58.9549 62.9930 173.7326 54 F 4.8169 7.2431 119.9385 55.5787 41.9001 175.9697 55 T 4.2198 8.1569 113.3741 60.7058 67.4977 175.0674 56 W 4.4369 7.7582 119.1756 59.3306 29.4405 177.6920 57 K 2.8523 6.5916 119.2032 55.6831 31.2418 176.6099 58 H 4.5135 8.7759 119.6934 56.6188 28.9580 175.6690 59 W 4.7566 7.3145 115.2918 55.8127 28.9250 175.0994 60 K 4.1049 7.0362 119.8409 56.2971 34.7581 175.4258 61 N 3.9939 8.6782 124.9484 54.6945 36.9473 174.5580 62 I 3.5827 7.3147 110.2160 62.2235 38.7854 176.6369 63 S 4.5853 7.2671 117.3752 56.9879 63.2879 173.1379 64 S 4.5495 8.0414 118.5126 56.5839 65.2633 173.7096 65 L 4.5746 8.1683 126.6453 54.0734 42.6583 176.6842 66 T 3.5921 8.3290 118.3195 63.2564 69.0930 175.2971 67 N 4.4957 7.9131 123.9623 52.1697 39.2372 175.6560 68 W 4.2619 8.3379 128.8846 59.1428 29.4365 178.2733 69 E 4.0785 8.3484 118.7807 59.3488 28.9679 178.7422 70 N 4.2897 8.5728 116.6613 56.2709 38.5424 177.5454 71 V 3.5542 7.5881 119.3205 66.0493 31.5628 178.3004 72 R 4.0188 8.1395 117.7372 59.4449 29.9687 179.1251 73 I 3.7891 7.7504 119.3445 64.3705 37.0099 178.3562 74 E 4.2211 8.3108 119.5191 59.5822 29.3301 179.4425 75 I 3.9311 8.1603 119.9817 64.4120 37.1308 178.7039 76 V 3.9497 8.0194 119.2602 66.0354 31.2492 177.7344 77 D 4.2511 8.7021 119.0442 57.5751 40.6583 178.8250 78 I 3.9759 8.1639 120.2328 64.3029 37.0965 178.2642 79 W 4.1313 8.3453 129.0484 60.7456 30.5328 177.4584 80 H 4.3426 8.4301 117.5138 58.4671 28.1628 177.7322 81 F 4.3543 7.6951 119.1921 60.3375 38.6559 178.0561 82 I 3.5660 7.9641 120.0784 64.0636 36.7422 178.2102 83 L 3.3355 7.2575 120.1741 57.7423 41.2605 179.7979 84 S 3.4951 7.3137 114.7179 61.1387 62.4086 176.4454 85 L 3.7943 7.3172 122.7892 58.0840 41.7325 179.0110 86 L 3.8889 7.7836 118.8349 57.7646 41.6617 179.4577 87 L 3.8495 7.9494 119.1220 57.7634 41.3596 179.2358 88 E 3.4513 8.0551 118.1831 59.1360 29.6769 178.1521 89 E 3.9500 7.9040 118.3820 56.8789 30.0983 177.1472 90 Y 4.4679 7.2882 114.9763 59.3680 41.0882 168.2560 *97 D 4.2701 8.1360 122.9442 54.0297 41.5000 175.6262 98 F 4.4842 7.7376 122.8578 59.8283 39.1953 176.5525 99 K 3.9972 8.1901 118.7901 59.3477 32.1381 178.5038 100 A 3.9968 8.1897 120.8562 55.2571 18.3596 179.7568 101 I 3.6615 7.6588 117.9156 64.3823 37.1955 178.3812 102 A 3.9800 8.4074 122.0474 55.6835 18.0831 179.6582 103 T 3.8478 8.3022 114.4668 66.9627 68.2677 176.6551 104 E 3.9746 7.8813 119.0817 59.2590 29.8056 179.2459 105 V 3.7297 7.8108 118.2655 66.1076 31.4374 177.5661 106 N 3.7145 8.1343 115.4311 56.2078 38.7657 175.7802 107 A 4.3184 7.3734 119.9698 51.8109 19.3730 177.6279 108 V 3.7854 7.4447 119.2767 62.4900 32.6151 176.9286 109 S 4.2088 9.0195 123.6222 61.9211 62.8109 176.9562 110 V 3.7747 7.9125 119.7645 65.2497 31.0631 177.5064 111 F 3.6969 8.0349 120.0865 61.3450 39.5565 176.5192 112 Q 4.0075 7.7833 116.8774 59.1541 28.3901 178.6856 113 D 4.3340 7.9887 119.2914 57.1193 40.9532 178.0946 114 F 4.2765 8.0593 120.4035 60.1032 39.1266 175.7940 115 C 4.0390 7.0320 113.7270 59.2545 28.6064 173.5830 116 K 4.1902 7.0267 120.9519 54.8316 32.8447 176.0983 117 E 3.9072 8.3065 120.6588 56.4162 29.8897 176.1861 118 E 4.0897 8.2075 122.5021 55.7113 31.2446 175.6016 119 E 4.0118 7.8780 118.5139 54.9391 31.3851 175.3167 120 Y 4.1954 7.8397 119.0678 55.4517 38.4243 174.1838 121 P 4.4282 0.0000 0.0000 61.9601 32.5775 175.0225 122 N 5.2492 8.8324 115.7372 50.5488 40.1724 174.8621 123 E 4.3382 8.9966 116.2446 59.4094 29.1065 179.4052 124 G 3.7810 8.4838 105.2113 47.1475 0.0000 174.3836 125 D 4.7565 8.2419 119.4779 54.7210 41.2654 178.5594 126 I 3.3414 7.3507 121.1731 64.6390 37.1106 177.9000 127 Y 4.0864 7.8554 117.0242 60.6241 37.7117 178.5268 128 G 3.6165 8.0877 106.5048 47.7449 0.0000 175.5511 129 I 3.6119 7.7076 122.4011 64.1701 37.1800 178.4200 130 L 3.8273 7.8751 119.9948 57.8278 41.3509 179.2255 131 N 4.3174 8.3386 116.9217 56.8130 39.0442 176.7114 132 D 4.3430 8.0702 120.3043 57.4312 40.7955 178.8442 133 I 3.7597 7.9878 120.5297 64.2523 36.9760 178.1039 134 E 3.8678 8.1958 120.2334 59.1313 29.4525 178.6097 135 L 3.9591 8.0735 119.1656 58.1138 41.6235 179.7508 136 I 3.6803 7.5886 119.0322 64.3097 37.0351 178.5291 137 I 3.6899 7.9976 120.9728 64.5840 36.7104 177.9664 138 H 4.0242 8.1551 118.0030 59.0088 30.0578 176.9126 139 K 3.8767 7.9693 121.3029 59.8178 31.8837 178.5449 140 C 3.6595 7.8478 115.2937 61.5454 28.1736 175.2890 141 S 4.3858 7.7814 114.4012 59.6536 63.3125 173.8904 142 G 4.0555 7.3710 111.4225 43.9342 0.0000 172.5615 143 F 4.8412 8.4834 116.5999 56.9011 41.9529 175.4873 144 G 3.8451 8.9183 111.6187 45.9445 0.0000 173.6028 145 F 4.5379 7.5280 113.9506 56.0515 39.0600 174.3274 146 N 4.8268 8.6297 119.1096 52.3743 40.5098 175.6642 147 L 4.2870 8.6427 127.9137 57.8069 41.7528 179.8158 148 G 3.6344 8.1885 105.4087 47.7729 0.0000 175.4957 149 E 4.0162 8.7059 121.1721 58.9543 29.4155 178.9435 150 L 3.9177 8.1181 120.3901 58.3205 42.0238 179.1037 151 L 3.7868 8.1422 118.7474 57.7265 41.6074 179.1519 152 S 4.2777 8.4077 113.4182 62.0982 62.2072 176.5202 153 T 3.8891 7.9564 118.0458 66.6525 68.1023 176.0132 154 Y 3.9582 8.2249 121.7090 60.8449 38.7574 178.2837 155 F 3.7702 8.1102 118.9260 60.5104 38.9116 177.6933 156 T 3.8408 8.0165 115.4526 66.5762 68.3013 176.1389 157 L 3.8580 7.9812 121.9142 58.2025 42.1132 178.8502 158 A 3.8797 7.8331 120.8953 55.1501 18.2481 179.6514 159 I 3.8752 8.0295 118.5287 64.5995 36.9842 178.7550 160 K 3.9449 7.8186 118.0432 59.4691 31.9727 178.2845 161 C 4.6069 7.9322 113.9890 59.7552 28.2700 174.2885 162 G 3.9294 7.9097 108.9293 45.2226 0.0000 173.5553 163 L 4.5798 7.5895 118.6957 52.8772 43.7061 175.1890 164 N 4.0636 7.6609 116.2824 49.9146 40.6831 174.7266 165 L 3.5437 7.0826 118.4535 58.1233 41.7998 178.5173 166 E 3.9399 7.8704 118.6428 59.4727 29.6147 178.8076 167 I 3.7031 8.0145 119.7387 64.1504 37.0910 178.1370 168 L 4.0534 8.0288 121.2962 58.3636 41.8841 178.4836 169 Y 4.4542 8.3692 119.6285 60.6610 38.6988 177.6347 170 K 3.7298 8.0679 120.5493 60.0224 32.3224 178.9340 171 T 3.9469 8.0507 115.9428 66.4376 68.2968 176.2529 172 Y 4.0136 8.5587 122.0068 60.7866 38.8981 178.0082 173 I 3.8271 8.1376 120.9928 64.5167 37.2429 178.6067 174 G 3.4218 7.7235 105.9543 47.7401 0.0000 175.7316 175 K 3.8458 8.0306 122.4554 58.7218 32.1461 178.3425 176 N 4.1010 8.1285 118.0102 56.5117 38.7685 176.7267 177 V 3.1342 7.2645 119.4815 65.9800 31.4037 177.6951 178 L 3.8843 7.5823 119.7286 58.1988 41.9656 178.6792 179 N 4.0636 8.4040 116.8319 56.1870 38.5306 177.4616 180 I 3.7298 7.8558 121.1831 64.2538 37.0278 178.0374 181 F 3.9070 8.3475 120.6342 61.3986 39.4358 176.9454 182 R 3.1737 7.9476 117.6102 59.2644 29.5136 179.1211 183 Q 4.0039 7.4162 115.7212 58.7265 28.7562 177.9369 184 N 4.7053 7.5978 114.7253 53.9028 38.8780 175.0241 185 N 4.9694 7.7188 117.8436 52.9470 40.1396 174.7643 186 G 4.3856 8.4191 103.7056 47.5547 0.0000 176.0470 187 Y 4.1096 8.1161 122.8393 60.2628 39.1857 178.2356 188 K 4.0900 8.2137 118.1645 59.4232 32.2188 177.6140 189 D 4.4669 8.0763 114.9111 53.6374 39.8336 177.0343 190 G 3.9446 7.8760 107.3336 45.7980 0.0000 174.6143 191 S 4.3842 8.3707 115.8332 59.9980 63.7698 174.1100 192 Y 4.6120 7.7676 121.7145 57.9818 38.9316 175.3644 193 K 4.5973 8.0802 125.6597 54.6929 33.8153 176.7801 194 K 4.3074 8.7539 123.5809 58.0401 32.6846 176.6467 195 T 4.7277 7.9655 115.2676 61.3459 70.3515 173.5824 196 W 4.6800 9.0569 127.4689 55.4947 30.2183 175.7628 197 N 4.1042 9.9076 124.5051 54.2735 35.4200 175.8283 198 G 3.9803 8.2221 103.3762 45.3410 0.0000 172.8169 199 K 4.5200 7.6386 120.0636 54.0873 34.2452 175.8835 200 E 4.3312 8.4275 123.3260 55.8940 30.3101 177.4414 201 D 3.3700 8.4003 123.1743 56.7026 38.9375 179.1342 202 N 4.1350 7.8430 116.9327 56.0214 38.5055 177.0209 203 E 3.9109 8.0034 120.0543 58.9164 29.5815 179.2724 204 V 3.4817 7.4055 117.9351 65.8029 31.5179 177.4265 205 L 3.7798 7.8576 119.9539 58.2457 41.6590 178.6187 206 A 3.9465 7.7104 118.9943 55.4082 18.6343 179.2630 207 Q 4.0688 8.1281 116.2460 59.2837 28.8179 179.1684 208 I 3.7138 7.7645 120.6627 64.3163 36.9608 177.9827 209 L 4.2113 8.0338 117.5434 56.1741 41.5033 178.5262 210 E 4.2107 7.9123 118.6911 57.6042 29.9709 176.5530 211 Q 4.5171 7.7199 117.2026 56.4367 29.2941 174.9605 212 E 3.6931 8.1325 113.5105 58.5898 28.1952 172.9994 213 L 4.7553 7.3861 116.8656 52.9569 44.9867 177.1318 214 D 4.7447 8.2061 120.7441 52.2156 42.1205 177.0067 215 F 3.8668 8.8435 121.2758 62.1236 39.2129 177.1181 216 D 4.6267 8.3336 117.5069 57.6228 40.7306 178.8258 217 T 4.0083 8.5740 116.6459 66.4131 68.4159 176.8716 218 I 3.6149 8.0618 122.1812 64.5312 37.0500 177.6544 219 Y 3.7985 8.0302 120.1548 60.7458 38.6174 178.3704 220 K 4.0908 8.2032 119.1578 59.5528 32.1480 179.5332 221 K 4.0088 8.0451 118.6721 59.2473 31.9225 179.4643 222 L 3.8783 7.8531 119.3602 57.6475 41.4397 179.0235 223 E 4.0034 7.9924 119.4255 59.3872 29.3336 178.5181 224 E 3.9155 8.0127 118.0297 59.5199 29.9845 178.3230 225 C 4.2936 8.0881 116.8274 62.8925 28.1771 175.3698 226 Y 2.8291 7.7743 121.5051 60.1303 38.0139 178.2265 227 K 3.7605 7.7221 118.2381 58.5528 32.1760 178.4229 228 K 4.1602 7.5425 116.7156 56.8360 32.3807 176.5712 229 A 4.0700 7.4279 127.5395 52.2572 18.2938 177.1677 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 M 8.29 4.60 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 2 T 8.68 4.08 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 1.26 0.00 0.00 3 N 9.38 4.36 0.00 2.87 3.13 0.00 0.00 6.81 7.42 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 4 I 7.77 3.73 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 1.63 0.57 0.97 0.00 0.00 5 E 8.43 4.05 0.00 2.13 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 0.00 2.34 2.36 0.00 6 I 7.80 3.23 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.52 0.08 0.00 0.00 7 L 7.96 4.01 0.00 1.86 1.73 0.58 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.60 3.93 0.00 2.14 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 2.41 2.51 0.00 9 N 8.23 4.29 0.00 3.01 2.98 0.00 0.00 7.22 7.33 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 10 M 8.13 4.02 0.00 1.65 2.15 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.68 0.00 11 L 7.83 3.68 0.00 1.50 1.33 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.51 3.18 0.00 1.78 1.73 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.32 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.27 1.05 7.81 13 L 7.93 3.99 0.00 2.10 1.93 1.26 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.42 3.89 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 15 Q 8.29 4.17 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.74 2.83 0.00 16 K 8.19 3.96 0.00 1.88 1.94 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.66 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.45 7.81 17 L 8.12 3.98 0.00 1.81 1.81 0.89 0.68 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 18 N 8.31 4.04 0.00 2.50 1.42 0.00 0.00 7.05 8.83 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 19 D 8.48 4.68 0.00 2.96 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 20 E 8.10 4.06 0.00 2.11 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 0.00 2.38 2.60 0.00 21 T 8.09 4.10 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 1.28 0.00 0.00 22 N 8.65 4.94 0.00 2.88 2.97 0.00 0.00 7.00 7.18 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 23 G 7.82 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 0.00 0.00 0.00 0.00 24 L 8.32 4.18 0.00 1.72 1.68 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.08 4.34 0.00 2.94 2.90 0.00 0.00 7.35 7.68 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 26 W 7.70 4.66 0.00 3.75 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 27 E 7.12 3.66 0.00 1.77 1.71 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 1.47 1.47 0.00 28 N 7.93 4.62 0.00 2.92 2.93 0.00 0.00 7.15 7.42 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 29 G 8.02 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 30 Y 7.73 5.02 0.00 2.99 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 31 T 8.67 4.51 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 1.29 0.00 0.00 32 K 8.45 3.97 0.00 1.84 1.94 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.46 7.81 33 E 8.18 4.20 0.00 2.02 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 0.00 2.34 2.39 0.00 34 G 8.30 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 35 K 8.14 4.50 0.00 1.70 1.69 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.52 7.81 36 L 8.43 3.62 0.00 1.40 1.39 0.81 0.82 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 37 I 7.97 3.91 1.62 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.65 -0.40 0.00 0.00 38 S 7.81 4.22 0.00 3.63 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.16 4.34 0.00 3.48 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 40 R 8.10 3.96 0.00 1.87 2.25 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.90 0.00 41 R 7.69 2.51 0.00 1.56 1.69 0.00 2.93 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.14 0.00 42 C 7.56 3.46 0.00 2.72 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.68 3.72 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.90 0.93 0.00 0.00 44 Y 7.80 4.20 0.00 3.06 3.12 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 45 M 7.92 4.12 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 46 E 8.35 4.07 0.00 2.41 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 2.57 2.66 0.00 47 C 8.60 4.13 0.00 3.26 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 48 A 8.11 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 49 E 7.98 3.94 0.00 2.31 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 0.00 2.60 2.52 0.00 50 L 8.26 4.11 0.00 1.84 1.97 1.04 1.45 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 51 I 8.11 3.92 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.26 0.00 0.00 52 D 7.96 4.86 0.00 2.94 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 53 S 7.99 4.05 0.00 2.72 3.27 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 54 F 7.24 4.82 0.00 3.15 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 55 T 8.16 4.22 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 56 W 7.76 4.44 0.00 3.63 3.27 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 57 K 6.59 2.85 0.00 0.79 0.74 0.00 0.84 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.21 7.81 58 H 8.78 4.51 0.00 3.38 3.58 0.00 5.47 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 59 W 7.31 4.76 0.00 3.26 3.12 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 60 K 7.04 4.10 0.00 0.88 0.84 0.00 1.71 0.00 0.00 1.31 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.05 1.24 7.81 61 N 8.68 3.99 0.00 2.71 2.53 0.00 0.00 6.98 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 62 I 7.31 3.58 1.85 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 1.38 0.69 0.84 0.00 0.00 63 S 7.27 4.59 0.00 3.70 3.83 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 64 S 8.04 4.55 0.00 3.69 3.58 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 65 L 8.17 4.57 0.00 1.65 1.58 0.94 0.93 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 66 T 8.33 3.59 3.23 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 -0.32 0.00 0.00 67 N 7.91 4.50 0.00 2.60 2.53 0.00 0.00 7.21 7.95 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 68 W 8.34 4.26 0.00 3.51 3.27 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 69 E 8.35 4.08 0.00 2.24 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 2.43 2.51 0.00 70 N 8.57 4.29 0.00 2.87 2.75 0.00 0.00 6.64 7.24 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 71 V 7.59 3.55 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 1.41 0.00 0.00 0.39 0.00 0.00 72 R 8.14 4.02 0.00 2.15 2.03 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.08 0.00 73 I 7.75 3.79 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.88 0.00 0.00 74 E 8.31 4.22 0.00 2.20 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 0.00 2.45 2.49 0.00 75 I 8.16 3.93 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.22 1.02 0.00 0.00 76 V 8.02 3.95 2.28 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 1.21 0.00 0.00 1.17 0.00 0.00 77 D 8.70 4.25 0.00 2.94 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 78 I 8.16 3.98 2.38 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.00 1.06 0.00 0.00 79 W 8.35 4.13 0.00 3.61 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.43 4.34 0.00 2.97 2.91 0.00 5.87 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 81 F 7.70 4.35 0.00 3.16 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 82 I 7.96 3.57 1.40 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.56 0.00 0.00 83 L 7.26 3.34 0.00 1.23 1.22 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.31 3.50 0.00 2.72 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 85 L 7.32 3.79 0.00 1.84 1.75 1.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.78 3.89 0.00 1.69 1.60 0.70 0.49 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 87 L 7.95 3.85 0.00 1.94 1.75 0.98 1.16 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 88 E 8.06 3.45 0.00 2.28 2.22 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 2.39 2.61 0.00 89 E 7.90 3.95 0.00 2.03 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 0.00 2.32 2.39 0.00 90 Y 7.29 4.47 0.00 3.14 3.66 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 *97 D 8.14 4.27 0.00 2.67 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 98 F 7.74 4.48 0.00 3.09 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 99 K 8.19 4.00 0.00 1.86 1.96 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.67 7.81 100 A 8.19 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.66 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.09 0.89 0.00 0.00 102 A 8.41 3.98 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 0.00 103 T 8.30 3.85 4.40 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 1.22 0.00 0.00 104 E 7.88 3.97 0.00 2.16 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 2.53 2.47 0.00 105 V 7.81 3.73 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 1.03 0.00 0.00 0.99 0.00 0.00 106 N 8.13 3.71 0.00 2.65 2.94 0.00 0.00 7.27 7.75 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 0.00 107 A 7.37 4.32 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 0.00 108 V 7.44 3.79 2.41 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 1.18 0.00 0.00 1.08 0.00 0.00 109 S 9.02 4.21 0.00 3.96 3.95 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 0.00 110 V 7.91 3.77 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.00 0.00 0.00 111 F 8.03 3.70 0.00 2.83 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 0.00 112 Q 7.78 4.01 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 113 D 7.99 4.33 0.00 2.87 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 0.00 114 F 8.06 4.28 0.00 2.71 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 0.00 115 C 7.03 4.04 0.00 2.71 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 0.00 116 K 7.03 4.19 0.00 1.68 1.67 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.43 7.81 117 E 8.31 3.91 0.00 1.86 1.79 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 2.30 2.26 0.00 118 E 8.21 4.09 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.12 0.00 119 E 7.88 4.01 0.00 1.81 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 120 Y 7.84 4.20 0.00 2.85 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 0.00 121 P 0.00 4.43 0.00 1.12 1.78 0.00 3.10 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.05 0.00 122 N 8.83 5.25 0.00 2.98 2.96 0.00 0.00 7.35 7.45 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 0.00 123 E 9.00 4.34 0.00 2.10 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 2.56 2.41 0.00 124 G 8.48 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.24 4.76 0.00 2.92 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 0.00 126 I 7.35 3.34 1.56 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 1.55 0.92 0.35 0.00 0.00 127 Y 7.86 4.09 0.00 3.05 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 0.00 128 G 8.09 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 0.00 0.00 0.00 129 I 7.71 3.61 1.66 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.64 0.64 0.00 0.00 130 L 7.88 3.83 0.00 1.79 1.69 0.70 0.39 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 0.00 131 N 8.34 4.32 0.00 2.78 2.99 0.00 0.00 7.22 8.03 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 0.00 132 D 8.07 4.34 0.00 2.97 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 0.00 133 I 7.99 3.76 1.96 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 1.46 0.90 0.93 0.00 0.00 134 E 8.20 3.87 0.00 2.10 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 0.00 2.26 2.30 0.00 135 L 8.07 3.96 0.00 1.94 1.71 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.59 3.68 2.03 0.00 0.00 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 1.53 0.89 0.92 0.00 0.00 137 I 8.00 3.69 1.95 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 1.44 0.68 0.78 0.00 0.00 138 H 8.16 4.02 0.00 3.10 3.44 0.00 5.95 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.97 3.88 0.00 1.85 1.63 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.67 1.36 7.81 140 C 7.85 3.66 0.00 3.00 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 0.00 141 S 7.78 4.39 0.00 3.58 3.29 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 0.00 142 G 7.37 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 0.00 0.00 0.00 143 F 8.48 4.84 0.00 3.05 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 0.00 144 G 8.92 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 0.00 145 F 7.53 4.54 0.00 3.13 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 0.00 146 N 8.63 4.83 0.00 2.84 2.81 0.00 0.00 6.88 6.66 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 0.00 147 L 8.64 4.29 0.00 1.81 1.74 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.19 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 0.00 0.00 0.00 149 E 8.71 4.02 0.00 2.27 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 2.38 2.56 0.00 150 L 8.12 3.92 0.00 1.81 1.98 0.83 0.60 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 0.00 151 L 8.14 3.79 0.00 1.98 1.76 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.41 4.28 0.00 4.08 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 0.00 153 T 7.96 3.89 4.38 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 1.21 0.00 0.00 154 Y 8.22 3.96 0.00 2.96 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 0.00 155 F 8.11 3.77 0.00 3.01 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 0.00 156 T 8.02 3.84 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 157 L 7.98 3.86 0.00 1.68 1.67 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.83 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.03 3.88 2.02 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 1.67 1.28 0.88 0.00 0.00 160 K 7.82 3.94 0.00 1.93 1.87 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.65 7.81 161 C 7.93 4.61 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 7.91 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 0.00 0.00 0.00 163 L 7.59 4.58 0.00 1.91 1.68 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 164 N 7.66 4.06 0.00 2.55 2.54 0.00 0.00 5.58 6.67 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 0.00 165 L 7.08 3.54 0.00 1.18 1.32 1.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 166 E 7.87 3.94 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 167 I 8.01 3.70 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.45 0.92 0.00 0.00 168 L 8.03 4.05 0.00 1.99 1.90 1.04 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 8.37 4.45 0.00 3.12 3.13 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 0.00 170 K 8.07 3.73 0.00 1.87 1.79 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 171 T 8.05 3.95 4.34 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 1.25 0.00 0.00 172 Y 8.56 4.01 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 0.00 173 I 8.14 3.83 1.90 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.42 0.91 0.00 0.00 174 G 7.72 3.42 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 0.00 175 K 8.03 3.85 0.00 1.79 1.69 0.00 1.36 0.00 0.00 1.44 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.20 7.81 176 N 8.13 4.10 0.00 2.16 2.81 0.00 0.00 6.76 7.35 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 0.00 177 V 7.26 3.13 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 0.80 0.00 0.00 -0.16 0.00 0.00 178 L 7.58 3.88 0.00 1.65 1.62 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.40 4.06 0.00 2.78 2.70 0.00 0.00 7.02 6.83 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 0.00 180 I 7.86 3.73 2.29 0.00 0.00 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 1.65 1.77 1.16 0.00 0.00 181 F 8.35 3.91 0.00 2.66 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 0.00 182 R 7.95 3.17 0.00 1.33 0.66 0.00 2.58 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 183 Q 7.42 4.00 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 184 N 7.60 4.71 0.00 2.78 2.83 0.00 0.00 6.79 7.69 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 0.00 185 N 7.72 4.97 0.00 2.39 2.76 0.00 0.00 7.10 7.05 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 0.00 186 G 8.42 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 8.12 4.11 0.00 2.82 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 0.00 188 K 8.21 4.09 0.00 1.82 1.88 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.63 7.81 189 D 8.08 4.47 0.00 2.79 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 0.00 190 G 7.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 8.37 4.38 0.00 4.11 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 Y 7.77 4.61 0.00 3.25 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 0.00 193 K 8.08 4.60 0.00 1.82 1.78 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.50 7.81 194 K 8.75 4.31 0.00 1.93 1.93 0.00 1.79 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 3.31 0.00 0.00 0.00 0.00 2.02 1.86 7.81 195 T 7.97 4.73 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 1.30 0.00 0.00 196 W 9.06 4.68 0.00 3.28 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 0.00 197 N 9.91 4.10 0.00 2.88 2.86 0.00 0.00 7.22 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 0.00 198 G 8.22 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 0.00 0.00 0.00 199 K 7.64 4.52 0.00 1.78 1.65 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.58 7.81 200 E 8.43 4.33 0.00 1.91 1.74 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 2.34 2.23 0.00 201 D 8.40 3.37 0.00 2.03 1.73 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 0.00 202 N 7.84 4.13 0.00 2.64 2.81 0.00 0.00 7.17 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 0.00 203 E 8.00 3.91 0.00 1.95 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 2.21 2.37 0.00 204 V 7.41 3.48 1.78 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 1.15 0.00 0.00 0.80 0.00 0.00 205 L 7.86 3.78 0.00 1.60 1.69 0.82 1.41 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 0.00 206 A 7.71 3.95 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 0.00 207 Q 8.13 4.07 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 208 I 7.76 3.71 1.95 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 1.49 0.65 0.85 0.00 0.00 209 L 8.03 4.21 0.00 1.71 1.69 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 210 E 7.91 4.21 0.00 2.18 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 0.00 2.34 2.30 0.00 211 Q 7.72 4.52 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 212 E 8.13 3.69 0.00 2.05 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 2.20 2.30 0.00 213 L 7.39 4.76 0.00 1.62 1.54 0.95 1.20 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 0.00 214 D 8.21 4.74 0.00 2.93 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 0.00 215 F 8.84 3.87 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 0.00 216 D 8.33 4.63 0.00 2.82 2.78 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 0.00 0.00 0.00 0.00 217 T 8.57 4.01 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 1.23 0.00 0.00 218 I 8.06 3.61 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.74 0.00 0.00 219 Y 8.03 3.80 0.00 3.13 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 0.00 220 K 8.20 4.09 0.00 2.07 1.91 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.79 7.81 221 K 8.05 4.01 0.00 1.91 1.83 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.67 7.81 222 L 7.85 3.88 0.00 1.10 0.56 0.53 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 223 E 7.99 4.00 0.00 2.33 2.22 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 2.46 2.52 0.00 224 E 8.01 3.92 0.00 2.12 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 2.31 2.35 0.00 225 C 8.09 4.29 0.00 3.26 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 0.00 226 Y 7.77 2.83 0.00 1.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 K 7.72 3.76 0.00 1.86 1.79 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.70 7.81 228 K 7.54 4.16 0.00 1.83 1.80 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.38 7.81 229 A 7.43 4.07 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 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.