NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5406 8.2893 120.3245 55.4504 33.5386 174.8040 2 D 4.6374 7.9629 120.6988 50.7508 42.9361 175.5969 3 K 3.8325 9.2224 120.3922 60.0711 32.2535 179.3792 4 N 4.4364 9.2585 116.8793 56.0835 38.3556 177.4203 5 E 3.9882 8.2310 119.7979 59.1166 29.5556 179.0829 6 L 3.9300 7.9204 119.0512 57.9342 41.8496 179.4955 7 V 3.5839 7.7285 118.0565 66.4426 31.4739 177.9832 8 Q 4.0955 7.8998 117.4080 58.2792 28.6437 178.0185 9 K 4.0777 8.4602 120.3422 58.5409 32.2714 178.6361 10 A 4.0687 8.2572 121.8195 54.9949 18.2428 179.6502 11 K 4.0445 7.9131 116.5767 59.1900 32.0516 179.6591 12 L 3.9627 7.8495 118.9817 57.6792 41.5334 179.3333 13 A 3.8655 7.7598 120.3578 55.0395 18.1713 179.3265 14 E 3.6607 8.0236 117.7293 59.5164 29.5150 179.1264 15 Q 3.9945 7.6279 116.9412 58.7420 28.8627 178.1740 16 A 4.0061 7.9111 120.4814 52.5157 18.6300 176.9501 17 E 3.0357 7.4065 115.4959 57.7749 27.3880 175.9009 18 R 4.3555 7.1652 118.6221 54.8025 30.0156 176.3656 19 Y 4.2144 7.8138 119.9581 60.1496 38.4168 176.5834 20 D 4.3364 8.1606 119.5806 57.4986 40.9311 178.4781 21 D 4.2727 7.9439 118.5459 57.7454 40.5149 178.3511 22 M 4.1107 7.7920 118.1607 58.4819 32.0114 177.8812 23 A 3.9721 8.0245 120.5166 54.2148 18.9103 179.3520 24 A 3.9138 8.0270 119.6119 55.5341 18.5034 179.4870 25 C 4.0261 8.4527 115.6166 63.4082 28.3029 176.1818 26 M 4.2462 7.8021 118.5614 57.1339 31.6723 178.7228 27 K 4.0224 8.3401 120.7859 59.5223 32.1684 178.9899 28 S 4.0439 7.6993 113.9997 61.3976 63.0193 176.3593 29 V 3.6639 7.7640 120.8766 66.4676 31.2539 178.0093 30 T 3.7097 7.8248 115.0342 66.7339 68.2045 176.0196 31 E 2.5567 7.5951 116.9023 57.1872 29.5379 177.9922 32 Q 4.2790 7.6867 118.6506 55.2192 28.5078 177.2919 33 G 3.9772 7.2528 106.2849 45.9925 0.0000 173.8441 34 A 4.5373 7.5147 122.5544 50.0145 20.2961 176.9674 35 E 4.0359 8.6816 122.6908 56.7110 30.2028 176.1853 36 L 4.7739 8.1991 123.5121 53.1094 43.5662 177.4730 37 S 4.3480 8.8693 118.0906 57.8102 65.0086 174.9911 38 N 4.0426 8.6372 120.2990 57.0679 38.3947 176.2901 39 E 3.9223 8.1180 119.7716 59.5385 29.7554 178.5365 40 E 4.0121 7.9426 118.4415 59.0661 29.5492 179.4800 41 R 3.8982 7.8508 118.9778 59.6102 30.1662 178.1729 42 N 4.4831 8.1021 116.1939 56.4526 38.4670 177.3249 43 L 4.1208 7.8454 120.3988 57.4298 41.7337 179.0506 44 L 4.1548 8.1169 120.4918 58.0941 42.1181 178.9929 45 S 4.4106 8.2843 112.8288 61.2449 62.3545 176.2681 46 V 3.6709 8.3023 121.0160 65.8554 31.3158 177.4574 47 A 4.1219 8.2030 120.5503 55.9836 18.1867 179.3133 48 Y 4.0594 8.1958 114.1640 60.5149 38.1635 178.1272 49 K 3.9843 8.2662 120.7393 59.6595 32.2008 178.5171 50 N 4.0894 7.8274 116.4712 56.0136 38.2180 177.1800 51 V 3.5885 7.5423 119.6443 66.5057 31.5061 178.5293 52 V 3.6555 8.4199 118.7773 64.7061 31.2682 178.4724 53 G 3.5211 7.9480 105.8609 47.2612 0.0000 175.5786 54 A 3.9935 8.0115 122.9632 55.2137 18.4760 179.9288 55 R 3.9104 7.5064 116.1540 59.3639 30.1294 179.3463 56 R 3.8594 8.2758 118.2489 59.3989 30.1924 178.7562 57 S 4.0914 8.0893 112.4935 61.8791 62.4495 176.5055 58 S 4.2109 8.6019 117.8313 61.0186 62.3900 176.7062 59 W 3.9841 8.1362 131.2972 60.1448 30.6905 178.0965 60 R 4.0294 8.6880 118.5388 59.5495 29.6203 178.8378 61 V 3.5228 7.6450 117.3368 66.2342 31.4534 178.0951 62 V 3.5584 7.7438 117.5992 66.2252 31.5085 178.1647 63 S 3.7181 7.6768 114.8480 61.4516 62.3836 176.7101 64 S 4.2413 7.7396 115.6271 61.1180 62.1056 176.1780 65 I 3.6441 7.7510 122.5925 64.4324 36.3752 177.8666 66 E 3.8890 8.2245 119.5169 59.9056 29.0978 179.5416 67 Q 4.1032 7.6088 115.7719 58.1748 29.0391 178.1253 68 K 4.2281 8.1059 118.9409 58.2068 31.9369 178.1965 69 T 4.5695 7.7192 109.7611 60.1996 69.2026 173.6971 70 E 4.3282 7.1708 122.0408 58.0105 29.7619 176.7987 71 G 3.9315 9.1918 114.2065 45.1234 0.0000 173.5876 72 A 4.5328 7.8230 121.8491 49.4113 19.7659 176.0120 73 E 3.8504 8.5291 123.5181 60.0998 29.8438 178.7875 74 K 3.9289 7.9179 117.6172 59.3530 32.2711 179.0635 75 K 3.8130 8.0723 118.2662 59.7853 31.5378 178.8645 76 Q 4.0032 8.2250 120.9067 58.6643 29.0073 177.9403 77 Q 3.9669 8.0593 120.6123 59.3434 29.1056 177.9421 78 M 3.9848 8.0659 118.9100 58.7712 32.2598 178.1169 79 A 4.0586 8.1367 120.8384 55.0550 18.5190 179.6221 80 R 4.0226 8.1448 118.7309 59.1903 30.3046 178.6702 81 E 4.1932 8.3190 118.4378 59.4851 29.3593 178.7815 82 Y 4.2840 8.0751 119.5414 60.6261 38.8219 177.5643 83 R 3.7192 8.3563 120.1717 59.8356 30.0764 178.2139 84 E 4.0412 8.3459 117.9743 59.1372 29.4156 179.3645 85 K 3.9431 7.9233 119.4749 59.7476 32.4485 179.0594 86 I 3.7261 7.7763 120.0583 64.1718 36.8428 178.4577 87 E 4.0282 8.5958 120.0733 59.6054 29.3764 179.0840 88 T 3.8832 8.0124 115.8089 66.8740 68.5984 176.0340 89 E 3.9697 7.9469 119.6515 59.6549 29.5334 179.3867 90 L 4.0027 7.7750 119.7714 58.1756 42.0138 179.2758 91 R 3.9103 8.1978 118.0739 59.4252 30.0505 178.7171 92 D 4.3660 8.1636 118.6614 57.3279 40.7493 179.0842 93 I 3.8033 7.8922 120.2179 64.6875 37.1740 178.0173 94 C 4.1730 8.2582 117.5841 63.3204 27.6109 176.1953 95 N 4.2711 8.4762 117.7600 55.6740 38.1853 177.2124 96 D 4.2470 8.1564 119.9603 57.2562 41.4145 178.3811 97 V 2.9804 7.2840 118.6615 65.8571 31.5032 178.0376 98 L 3.8578 7.8114 118.4327 57.1814 41.3747 179.1357 99 S 4.1557 7.5746 112.7157 60.5935 62.3706 176.0388 100 L 4.1412 7.5436 121.6004 57.6676 41.2222 179.4303 101 L 3.7666 7.6713 118.8008 57.7595 41.4741 178.9801 102 E 3.8499 7.7147 117.8410 59.3002 29.5789 178.8995 103 K 3.8074 7.5934 117.3720 58.7284 32.3690 178.0595 104 F 4.6206 7.9338 116.7929 59.8069 39.9516 178.6481 105 L 3.6890 7.7118 118.4676 57.4333 41.5155 178.9625 106 I 4.0693 7.7498 119.1115 63.4193 37.2981 176.3232 107 P 4.4298 0.0000 0.0000 65.6750 31.0583 177.6309 108 N 4.6166 7.5779 111.3632 53.4015 38.2746 175.5421 109 A 4.3210 7.6461 123.0711 52.0458 17.3543 178.1066 110 S 4.6101 8.4348 114.8833 59.5607 64.0946 175.1164 111 Q 4.6472 7.5496 119.5689 53.2524 33.6404 175.5107 112 A 4.0002 8.5338 124.3808 55.3150 18.4614 179.8304 113 E 3.8070 8.1182 117.1191 59.6094 29.8265 178.5907 114 S 3.7534 8.0669 114.5831 61.6779 63.0245 176.4170 115 K 3.9218 8.0345 121.7096 59.9637 31.9201 178.8857 116 V 3.6426 8.0543 118.3314 65.7234 31.3127 177.8506 117 F 3.9351 8.0895 120.4948 61.6362 39.2162 176.8997 118 Y 4.5524 8.1207 115.9791 60.5985 37.7861 177.9222 119 L 4.1561 7.9922 119.7281 56.9150 41.6626 179.0813 120 K 3.9380 7.8721 119.2187 59.5988 32.4392 178.1064 121 M 4.2977 8.1018 118.6082 58.6593 32.2096 178.1521 122 K 4.0205 7.8729 119.7527 59.1143 32.0320 178.2151 123 G 3.2246 7.5201 103.2967 45.0314 0.0000 175.1463 124 D 4.1021 7.3595 123.2954 56.5096 41.0872 178.2135 125 Y 3.7318 7.5930 115.8955 60.3401 37.9070 177.3318 126 Y 4.1658 7.6665 117.4907 60.5121 37.8011 177.7770 127 R 4.0770 7.4650 119.4261 59.4264 29.9416 178.0214 128 Y 4.5193 7.3734 115.9366 60.5193 38.1286 177.7154 129 L 4.1029 7.6973 120.2808 57.6905 41.3999 179.0198 130 A 4.0476 8.3885 120.9781 55.3675 17.9948 179.4110 131 E 4.0521 7.7929 115.8133 58.4046 29.5509 177.7573 132 V 4.0496 7.3139 114.8087 61.7656 34.4315 175.2794 133 A 4.3852 7.2494 125.2969 52.7520 16.7989 180.7007 *139 K 4.0555 8.8729 123.2356 57.4870 32.9739 175.8639 140 G 3.9067 8.6670 107.2032 46.4730 0.0000 174.7145 141 I 4.1246 8.3112 113.9343 60.7475 38.1550 177.1103 142 V 3.8040 7.8336 120.8035 66.6183 31.1634 177.1088 143 D 4.3252 7.9528 117.0304 57.3585 41.0188 177.8110 144 Q 3.7175 7.7627 119.5861 58.9981 28.9555 178.0258 145 S 3.8017 7.4396 112.9578 61.0150 62.3462 175.9073 146 Q 3.5757 7.7663 122.4886 58.9501 28.7920 177.9772 147 Q 4.0743 8.0838 118.8048 58.1720 28.6616 178.3777 148 A 3.8164 7.4249 122.0228 55.4039 18.1115 179.1704 149 Y 3.8687 7.1626 114.6825 61.0935 37.7559 178.9299 150 Q 4.0770 8.3281 120.6733 59.2345 29.1145 177.8198 151 E 4.0977 8.5236 120.5804 59.2591 29.6765 178.6513 152 A 4.0408 8.3010 121.1582 54.8523 18.5684 179.3117 153 F 4.2780 8.2346 119.3140 61.0150 39.4629 177.4982 154 E 3.8671 8.2848 118.4395 59.5820 29.5153 179.2350 155 I 3.7252 7.5785 119.9169 64.3529 37.1078 178.6068 156 S 4.1714 7.8771 114.5561 61.1143 62.9639 176.7483 157 K 3.8462 7.4774 120.7584 58.5768 31.7134 179.1608 158 K 4.0261 7.6952 119.3707 59.5094 32.3512 178.2398 159 E 4.2462 7.8279 116.2208 56.8451 30.2243 176.4872 160 M 4.6585 7.2332 117.1604 53.2241 34.3975 175.9749 161 Q 4.2397 8.3028 120.3977 55.0545 29.5340 175.5714 162 P 4.4564 0.0000 0.0000 64.6436 31.3143 176.8396 163 T 4.3828 7.5596 108.0201 61.6047 69.4365 174.3281 164 H 4.1786 8.2747 123.8425 55.9887 30.6685 173.7845 165 P 4.2630 0.0000 0.0000 66.1036 31.2047 178.5952 166 I 3.8762 8.0813 117.9767 63.9146 37.0959 178.2897 167 R 3.9429 7.8648 119.3340 59.3481 30.1480 178.2399 168 L 4.1814 8.2931 119.1648 57.8127 41.5727 179.8165 169 G 3.6482 8.4890 105.9739 47.5788 0.0000 175.4473 170 L 3.9950 8.0967 122.6173 58.0533 41.9084 179.0810 171 A 4.2325 8.6226 120.8064 54.6032 18.2732 179.4968 172 L 3.8806 7.9965 119.3041 58.3777 42.2336 178.6959 173 N 4.3535 8.3671 116.3452 56.3614 38.6115 176.9188 174 F 3.4338 7.8096 121.9895 61.6180 39.3157 177.4354 175 S 4.1182 7.7370 112.2997 61.3387 62.1877 176.2003 176 V 3.9408 8.0046 121.0168 66.0374 31.2814 177.8159 177 F 4.2780 8.6941 120.8444 61.4330 39.2771 176.8168 178 Y 3.7996 8.3718 116.4579 61.1105 37.6287 177.8559 179 Y 3.6852 7.9584 120.3978 60.2833 38.5979 177.3827 180 E 4.0118 8.3410 117.9686 58.3675 30.3706 177.5604 181 I 3.8071 7.2745 117.8688 62.5413 37.6241 176.4385 182 L 3.9554 7.1913 118.6075 53.9999 42.3609 175.9638 183 N 3.8893 7.6963 107.1107 54.6198 35.7455 173.7444 184 S 4.6027 7.8193 114.9947 55.5814 65.1663 174.0926 185 P 4.3837 0.0000 0.0000 65.5454 31.7432 177.7868 186 E 3.9128 8.0517 115.6438 59.5125 29.4693 178.8500 187 K 3.9396 7.8601 116.3299 57.1147 32.3864 178.4636 188 A 4.1304 7.5508 121.7659 54.9207 19.0507 179.3547 189 C 4.3426 8.5226 115.8715 62.7429 28.0752 176.5383 190 S 4.0528 7.9773 115.7233 61.5283 62.7125 175.9772 191 L 3.7518 7.8357 124.2638 57.6355 41.4511 178.5162 192 A 4.2848 7.8917 119.6507 54.2214 18.8377 179.3616 193 K 4.0284 8.1690 118.4185 59.5351 32.1589 179.3966 194 T 3.9382 8.3716 116.3382 66.5658 68.4607 176.4511 195 A 4.0514 7.8579 122.2932 55.5104 18.2983 179.4771 196 F 3.9426 8.1783 118.5015 61.6517 39.6376 177.3325 197 D 4.4901 8.6419 118.5719 57.4725 40.3882 178.8176 198 E 4.0092 8.3261 118.4133 59.1849 29.2020 178.8614 199 A 4.0547 7.7871 120.8459 54.8953 18.1692 179.3303 200 I 3.6571 7.2240 115.9611 63.4202 38.1460 177.4216 201 A 4.2037 7.6887 120.0068 53.3176 19.4664 176.9828 202 E 4.9387 7.6222 115.5312 54.7840 30.1201 177.0251 203 L 4.3122 7.8962 115.2479 55.5546 41.9633 178.0439 204 D 4.5951 7.8600 119.3175 54.2995 40.1704 177.6425 205 T 4.2653 7.5228 108.6133 61.7865 69.2709 174.6604 206 L 4.1917 7.6544 123.8064 54.5393 42.3330 176.8639 207 S 4.5044 8.4647 118.5670 57.2221 64.2846 174.7449 208 E 4.1538 8.8031 122.8893 59.3369 29.5359 178.1916 209 E 4.1807 8.3204 116.0432 58.2364 29.9839 177.3225 210 S 4.6824 8.0759 111.4988 57.4291 63.9753 175.2551 211 Y 4.1636 8.0114 120.4839 59.7378 37.5569 178.2284 212 K 3.6087 7.1745 120.3711 59.1510 32.4996 178.1957 213 D 4.3128 7.9351 117.7519 57.6172 40.9889 178.5469 214 S 4.1091 8.2428 115.4016 62.0575 62.9000 176.7971 215 T 3.8559 7.5679 117.9697 66.4106 68.2442 176.4139 216 L 3.9321 8.1826 122.4722 58.4413 42.1852 179.2842 217 I 3.8298 7.7092 119.2405 64.4459 36.9534 178.4294 218 M 4.2604 8.3614 120.0711 58.4116 31.6811 178.6849 219 Q 4.1346 8.0719 117.9166 59.0257 28.8879 178.8995 220 L 3.9354 7.8699 119.7951 57.4294 41.5974 179.4664 221 L 3.8861 7.9506 119.1093 57.9045 41.6864 179.6035 222 R 3.4401 7.8995 118.4366 59.1231 29.9432 177.9365 223 D 4.1785 8.0678 118.9414 57.6882 40.7998 178.6541 224 N 3.3900 7.6939 116.4194 55.9718 38.0944 177.5059 225 L 3.8597 7.0786 119.1195 57.9336 42.1051 179.3474 226 T 3.8975 8.0743 115.9598 66.4009 68.3129 176.3024 227 L 3.9109 7.9767 122.4321 58.0117 41.8816 178.5295 228 W 4.8958 7.6295 114.6864 57.5819 28.8430 176.7680 229 T 4.5436 7.5520 116.7648 63.6399 70.1523 174.9717 230 S 4.3301 8.0607 122.7967 58.3673 62.1070 179.7732 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 4.54 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 D 7.96 4.64 0.00 2.84 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 3 K 9.22 3.83 0.00 1.94 1.84 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 N 9.26 4.44 0.00 2.86 2.84 0.00 0.00 7.06 8.32 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 5 E 8.23 3.99 0.00 2.12 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 2.39 2.39 0.00 6 L 7.92 3.93 0.00 1.86 1.70 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.73 3.58 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 1.03 0.00 0.00 1.02 0.00 0.00 8 Q 7.90 4.10 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 9 K 8.46 4.08 0.00 1.91 1.78 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 10 A 8.26 4.07 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 11 K 7.91 4.04 0.00 1.98 1.87 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 12 L 7.85 3.96 0.00 1.87 1.68 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.76 3.87 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 14 E 8.02 3.66 0.00 2.14 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 2.35 2.50 0.00 15 Q 7.63 3.99 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 16 A 7.91 4.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.41 3.04 0.00 2.03 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 2.31 2.22 0.00 18 R 7.17 4.36 0.00 1.67 1.72 0.00 3.06 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 19 Y 7.81 4.21 0.00 3.03 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 20 D 8.16 4.34 0.00 2.67 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 21 D 7.94 4.27 0.00 2.78 2.67 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 22 M 7.79 4.11 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 23 A 8.02 3.97 0.63 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 24 A 8.03 3.91 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 25 C 8.45 4.03 0.00 3.10 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 26 M 7.80 4.25 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.88 0.00 27 K 8.34 4.02 0.00 2.12 1.98 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.56 7.81 28 S 7.70 4.04 0.00 4.03 3.87 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 29 V 7.76 3.66 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 1.00 0.00 0.00 0.93 0.00 0.00 30 T 7.82 3.71 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 1.07 0.00 0.00 31 E 7.60 2.56 0.00 1.70 1.72 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 2.11 2.28 0.00 32 Q 7.69 4.28 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.07 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 33 G 7.25 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 34 A 7.51 4.54 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 35 E 8.68 4.04 0.00 1.97 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 2.37 2.53 0.00 36 L 8.20 4.77 0.00 1.76 1.60 0.98 0.87 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 37 S 8.87 4.35 0.00 4.02 3.99 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 38 N 8.64 4.04 0.00 2.72 2.83 0.00 0.00 6.50 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 39 E 8.12 3.92 0.00 2.06 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 2.38 2.41 0.00 40 E 7.94 4.01 0.00 2.16 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 2.33 2.31 0.00 41 R 7.85 3.90 0.00 1.93 1.83 0.00 2.21 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 1.14 1.29 0.00 42 N 8.10 4.48 0.00 2.93 2.93 0.00 0.00 7.13 6.18 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 43 L 7.85 4.12 0.00 1.88 1.76 0.94 0.62 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 44 L 8.12 4.15 0.00 1.89 2.01 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.28 4.41 0.00 4.52 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.30 3.67 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 1.11 0.00 0.00 1.02 0.00 0.00 47 A 8.20 4.12 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 48 Y 8.20 4.06 0.00 3.22 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 49 K 8.27 3.98 0.00 2.16 2.00 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.70 7.81 50 N 7.83 4.09 0.00 2.07 1.84 0.00 0.00 6.61 8.09 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 51 V 7.54 3.59 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 1.07 0.00 0.00 0.88 0.00 0.00 52 V 8.42 3.66 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 0.88 0.00 0.00 1.03 0.00 0.00 53 G 7.95 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 3.99 1.39 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 55 R 7.51 3.91 0.00 2.12 2.01 0.00 3.23 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 1.67 1.74 0.00 56 R 8.28 3.86 0.00 1.82 1.88 0.00 2.21 0.00 0.00 2.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 57 S 8.09 4.09 0.00 4.02 3.99 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 58 S 8.60 4.21 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 59 W 8.14 3.98 0.00 3.59 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 60 R 8.69 4.03 0.00 2.08 2.07 0.00 3.28 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 1.97 2.08 0.00 61 V 7.64 3.52 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 1.00 0.00 0.00 0.98 0.00 0.00 62 V 7.74 3.56 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 1.06 0.00 0.00 1.07 0.00 0.00 63 S 7.68 3.72 0.00 3.39 3.32 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 0.00 64 S 7.74 4.24 0.00 3.95 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 65 I 7.75 3.64 1.98 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 1.51 0.49 0.90 0.00 0.00 66 E 8.22 3.89 0.00 2.01 1.95 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 2.29 2.42 0.00 67 Q 7.61 4.10 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 68 K 8.11 4.23 0.00 1.81 1.85 0.00 1.56 0.00 0.00 1.92 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.47 7.81 69 T 7.72 4.57 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 70 E 7.17 4.33 0.00 1.91 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 2.29 2.33 0.00 71 G 9.19 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 72 A 7.82 4.53 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 73 E 8.53 3.85 0.00 2.04 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 2.38 2.41 0.00 74 K 7.92 3.93 0.00 1.83 1.83 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.52 7.81 75 K 8.07 3.81 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.50 7.81 76 Q 8.22 4.00 0.00 2.40 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 77 Q 8.06 3.97 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 78 M 8.07 3.98 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 79 A 8.14 4.06 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 80 R 8.14 4.02 0.00 2.01 2.08 0.00 3.15 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 1.64 1.66 0.00 81 E 8.32 4.19 0.00 2.24 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 2.36 2.34 0.00 82 Y 8.08 4.28 0.00 3.15 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 83 R 8.36 3.72 0.00 1.67 2.09 0.00 2.96 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.42 0.00 84 E 8.35 4.04 0.00 2.27 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 2.39 2.50 0.00 85 K 7.92 3.94 0.00 1.92 2.02 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.18 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.52 7.81 86 I 7.78 3.73 1.96 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.46 1.00 0.00 0.00 87 E 8.60 4.03 0.00 2.29 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 2.91 2.83 0.00 88 T 8.01 3.88 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 1.28 0.00 0.00 89 E 7.95 3.97 0.00 2.21 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 2.36 2.49 0.00 90 L 7.78 4.00 0.00 1.96 1.71 0.76 0.90 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 91 R 8.20 3.91 0.00 2.20 1.97 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 92 D 8.16 4.37 0.00 2.89 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 93 I 7.89 3.80 2.13 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 1.65 0.76 1.18 0.00 0.00 94 C 8.26 4.17 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.27 0.00 2.74 2.81 0.00 0.00 6.70 8.87 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 96 D 8.16 4.25 0.00 3.01 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.28 2.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 -0.17 0.00 0.00 98 L 7.81 3.86 0.00 1.53 1.45 0.16 0.21 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 99 S 7.57 4.16 0.00 4.00 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 0.00 100 L 7.54 4.14 0.00 1.82 1.59 1.01 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.67 3.77 0.00 1.76 1.62 0.87 0.82 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 0.00 102 E 7.71 3.85 0.00 2.11 1.89 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 2.29 2.35 0.00 103 K 7.59 3.81 0.00 1.08 0.94 0.00 1.36 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.49 7.81 104 F 7.93 4.62 0.00 3.19 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.71 3.69 0.00 1.04 0.13 0.64 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.75 4.07 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 0.52 0.96 0.00 0.00 107 P 0.00 4.43 0.00 2.13 2.06 0.00 3.66 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 2.27 2.14 0.00 108 N 7.58 4.62 0.00 2.77 2.87 0.00 0.00 7.14 7.72 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 0.00 109 A 7.65 4.32 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 0.00 110 S 8.43 4.61 0.00 4.05 4.01 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 0.00 111 Q 7.55 4.65 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 112 A 8.53 4.00 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 0.00 113 E 8.12 3.81 0.00 2.05 1.94 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 2.34 2.44 0.00 114 S 8.07 3.75 0.00 4.07 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 0.00 115 K 8.03 3.92 0.00 2.10 1.95 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 116 V 8.05 3.64 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 0.94 0.00 0.00 0.97 0.00 0.00 117 F 8.09 3.94 0.00 3.07 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 0.00 118 Y 8.12 4.55 0.00 3.12 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 0.00 119 L 7.99 4.16 0.00 1.74 1.67 1.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.87 3.94 0.00 1.79 1.97 0.00 1.82 0.00 0.00 1.49 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.58 7.81 121 M 8.10 4.30 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.73 0.00 122 K 7.87 4.02 0.00 1.92 1.90 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.58 1.50 7.81 123 G 7.52 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 0.00 0.00 0.00 124 D 7.36 4.10 0.00 2.72 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 0.00 0.00 0.00 125 Y 7.59 3.73 0.00 2.87 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 0.00 126 Y 7.67 4.17 0.00 2.86 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 0.00 127 R 7.46 4.08 0.00 2.24 1.96 0.00 3.35 0.00 0.00 3.68 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 128 Y 7.37 4.52 0.00 2.85 2.75 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 0.00 0.00 0.00 129 L 7.70 4.10 0.00 1.89 1.75 0.82 0.62 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 0.00 130 A 8.39 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.79 4.05 0.00 1.99 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 2.35 2.57 0.00 132 V 7.31 4.05 1.72 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 0.69 0.00 0.00 -0.57 0.00 0.00 133 A 7.25 4.39 1.08 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 0.00 0.00 0.00 0.00 0.00 *139 K 8.87 4.06 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.45 7.81 140 G 8.67 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 0.00 141 I 8.31 4.12 1.93 0.00 0.00 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 1.45 0.90 0.94 0.00 0.00 142 V 7.83 3.80 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 0.98 0.00 0.00 0.96 0.00 0.00 143 D 7.95 4.33 0.00 2.73 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 0.00 144 Q 7.76 3.72 0.00 1.75 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 1.59 2.08 0.00 145 S 7.44 3.80 0.00 4.03 4.16 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 0.00 146 Q 7.77 3.58 0.00 2.44 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 147 Q 8.08 4.07 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 148 A 7.42 3.82 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 0.00 149 Y 7.16 3.87 0.00 2.47 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 0.00 150 Q 8.33 4.08 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.72 0.00 151 E 8.52 4.10 0.00 2.02 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 2.31 2.34 0.00 152 A 8.30 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.23 4.28 0.00 3.14 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 0.00 154 E 8.28 3.87 0.00 2.35 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 2.38 2.47 0.00 155 I 7.58 3.73 1.86 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 1.58 1.35 0.90 0.00 0.00 156 S 7.88 4.17 0.00 4.00 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 0.00 157 K 7.48 3.85 0.00 1.56 1.72 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.91 0.90 7.81 158 K 7.70 4.03 0.00 1.74 1.79 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 159 E 7.83 4.25 0.00 1.98 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 2.46 0.00 160 M 7.23 4.66 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 161 Q 8.30 4.24 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 162 P 0.00 4.46 0.00 2.25 2.16 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 1.97 1.94 0.00 163 T 7.56 4.38 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 1.25 0.00 0.00 164 H 8.27 4.18 0.00 3.32 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.26 0.00 2.25 2.14 0.00 3.47 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 166 I 8.08 3.88 1.92 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 1.74 0.98 1.01 0.00 0.00 167 R 7.86 3.94 0.00 1.85 2.14 0.00 3.31 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 168 L 8.29 4.18 0.00 1.92 1.75 0.98 1.02 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 0.00 169 G 8.49 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 8.10 4.00 0.00 2.03 1.98 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.62 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.00 3.88 0.00 1.96 1.91 0.92 0.41 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 0.00 173 N 8.37 4.35 0.00 2.90 2.97 0.00 0.00 6.70 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 0.00 174 F 7.81 3.43 0.00 2.76 2.82 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 0.00 0.00 0.00 175 S 7.74 4.12 0.00 3.89 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 0.00 176 V 8.00 3.94 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 1.14 0.00 0.00 1.28 0.00 0.00 177 F 8.69 4.28 0.00 3.43 3.28 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 0.00 178 Y 8.37 3.80 0.00 3.04 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 0.00 179 Y 7.96 3.69 0.00 2.26 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 0.00 180 E 8.34 4.01 0.00 2.11 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 2.48 2.67 0.00 181 I 7.27 3.81 0.99 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 1.11 0.75 0.54 0.00 0.00 182 L 7.19 3.96 0.00 1.26 1.54 0.59 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 183 N 7.70 3.89 0.00 2.65 2.65 0.00 0.00 7.05 7.57 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 0.00 184 S 7.82 4.60 0.00 3.88 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 0.00 185 P 0.00 4.38 0.00 2.20 2.24 0.00 3.50 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 2.06 2.10 0.00 186 E 8.05 3.91 0.00 2.16 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 2.31 2.34 0.00 187 K 7.86 3.94 0.00 1.73 1.26 0.00 1.95 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.46 7.81 188 A 7.55 4.13 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 0.00 0.00 0.00 0.00 0.00 189 C 8.52 4.34 0.00 2.96 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 0.00 190 S 7.98 4.05 0.00 4.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 7.84 3.75 0.00 1.51 1.73 0.61 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 192 A 7.89 4.28 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 0.00 193 K 8.17 4.03 0.00 2.12 1.93 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.45 7.81 194 T 8.37 3.94 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 1.28 0.00 0.00 195 A 7.86 4.05 1.47 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 0.00 0.00 196 F 8.18 3.94 0.00 3.19 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 0.00 197 D 8.64 4.49 0.00 2.94 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 0.00 198 E 8.33 4.01 0.00 2.07 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 2.36 2.46 0.00 199 A 7.79 4.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 7.22 3.66 1.56 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 1.37 0.64 0.93 0.00 0.00 201 A 7.69 4.20 1.32 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 0.00 0.00 0.00 202 E 7.62 4.94 0.00 2.00 1.85 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 2.19 2.17 0.00 203 L 7.90 4.31 0.00 1.60 1.67 0.88 1.12 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 0.00 204 D 7.86 4.60 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 T 7.52 4.27 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 1.20 0.00 0.00 206 L 7.65 4.19 0.00 1.67 1.74 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 207 S 8.46 4.50 0.00 4.02 3.99 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 0.00 208 E 8.80 4.15 0.00 1.93 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 2.47 0.00 209 E 8.32 4.18 0.00 2.13 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 2.30 2.30 0.00 210 S 8.08 4.68 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 Y 8.01 4.16 0.00 3.26 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 K 7.17 3.61 0.00 1.49 1.66 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.10 0.29 7.81 213 D 7.94 4.31 0.00 2.67 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 0.00 214 S 8.24 4.11 0.00 3.92 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 0.00 215 T 7.57 3.86 4.66 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 1.23 0.00 0.00 216 L 8.18 3.93 0.00 1.76 1.84 0.92 1.22 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 0.00 217 I 7.71 3.83 2.02 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 0.51 0.95 0.00 0.00 218 M 8.36 4.26 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.43 0.00 219 Q 8.07 4.13 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 220 L 7.87 3.94 0.00 1.89 1.68 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 221 L 7.95 3.89 0.00 2.10 1.83 1.07 0.91 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 0.00 222 R 7.90 3.44 0.00 1.44 1.71 0.00 2.69 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.00 223 D 8.07 4.18 0.00 2.74 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 0.00 224 N 7.69 3.39 0.00 2.37 1.42 0.00 0.00 7.13 6.02 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 0.00 225 L 7.08 3.86 0.00 1.64 1.55 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 226 T 8.07 3.90 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 1.13 0.00 0.00 227 L 7.98 3.91 0.00 1.54 1.35 0.91 1.12 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 0.00 228 W 7.63 4.90 0.00 3.25 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 0.00 229 T 7.55 4.54 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 230 S 8.06 4.33 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.