NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2629 8.2649 123.5826 51.4692 20.6674 177.3269 6 P 4.1123 0.0000 0.0000 61.9192 31.4245 174.3124 7 D 4.6337 9.0380 124.1419 51.2568 42.4126 175.5991 8 R 3.7212 7.9165 122.0936 59.2762 30.3241 177.3994 9 E 3.9300 8.4457 120.0283 60.3546 29.4438 180.5586 10 K 3.9533 8.3705 123.2511 59.7830 31.9242 181.4302 11 A 4.1844 7.9726 121.8795 54.7836 18.3302 179.0791 12 L 3.8933 8.6090 119.1905 58.6689 42.0987 179.2224 13 E 4.0922 8.0247 117.8078 59.2826 29.3626 179.1526 14 L 3.9710 7.8349 120.2123 57.8617 42.0303 179.0192 15 A 3.9932 8.0070 120.8348 55.4813 18.3875 179.5420 16 M 4.0346 8.6271 117.4096 58.3751 32.0103 178.9206 17 A 3.9676 8.3995 121.3715 55.2729 18.6176 179.4606 18 Q 3.9070 8.1574 118.0618 59.2060 29.0659 178.6482 19 I 3.7564 8.0658 121.2349 64.5667 36.8523 178.0656 20 D 4.5962 8.2552 119.7465 57.2800 40.4236 178.8088 21 K 3.9979 7.8368 118.9060 59.7477 32.2953 178.3825 22 N 4.1789 7.8064 115.3525 55.0925 38.3925 175.8193 23 F 4.9326 7.8245 115.6620 55.7049 41.3980 175.0147 24 G 4.1761 9.4118 112.8361 44.1602 0.0000 174.4933 25 K 4.3133 8.4963 123.8260 56.1896 32.0446 177.0369 26 G 4.1834 8.8778 111.2096 45.7901 0.0000 174.7875 27 S 4.3372 7.7882 115.5167 60.8866 63.0888 175.1005 28 V 4.5621 7.4002 117.8347 60.6847 34.1310 173.5364 29 M 4.8038 8.1875 120.9103 54.2083 36.1072 174.2501 30 R 4.4164 8.3430 119.8896 55.0794 31.3345 177.8835 31 L 3.9501 8.8221 122.7176 57.5890 41.7207 178.2758 32 G 3.9475 7.8899 104.3426 44.8991 0.0000 173.3000 33 E 3.8521 8.1313 122.0866 56.3095 29.9374 176.3222 34 E 4.3314 8.6194 126.2251 54.8173 29.2119 176.5551 35 V 3.7851 8.3902 126.9912 62.3990 32.0373 177.3224 36 R 4.7256 8.4058 122.8782 56.3616 30.5420 173.9863 37 Q 4.6104 7.8198 119.8033 53.3708 28.5384 174.3913 38 P 4.3430 0.0000 0.0000 64.7955 32.9653 179.4020 39 I 3.1373 6.6163 113.5340 60.4142 35.1336 178.6792 40 S 4.7288 8.1993 111.3626 59.3654 66.5220 173.8957 41 V 4.9867 8.4716 116.1119 60.0875 36.4565 174.8038 42 I 4.3439 8.5117 122.8419 58.8108 38.9161 173.4459 43 P 4.6752 0.0000 0.0000 63.3596 31.0779 177.1221 44 T 3.8022 9.5943 119.1917 63.5778 67.4636 175.2183 45 G 3.7346 8.4302 108.1922 44.8530 0.0000 173.5571 46 S 4.2903 7.4387 113.4479 55.6827 64.7281 173.7614 47 I 3.6494 8.3031 130.9234 64.5908 36.8978 178.3148 48 S 4.1404 8.0489 114.3720 61.5501 62.7193 176.0974 49 L 3.8065 7.9691 124.0528 57.8239 41.7293 178.5988 50 D 4.3260 8.3833 119.2040 57.2489 40.6386 179.0532 51 V 3.5158 7.9557 118.4600 66.1066 31.4404 177.7150 52 A 3.7048 8.5451 120.0858 55.5275 18.2945 179.2751 53 L 4.0909 8.3613 116.8309 55.7928 41.4946 179.5300 54 G 4.1813 9.2465 107.5062 46.0115 0.0000 174.2809 55 I 4.2473 7.5913 110.7886 60.3646 37.9415 176.5201 56 G 3.8867 7.8859 109.2888 44.5095 0.0000 173.7728 57 G 3.9755 7.0837 103.9385 45.9841 0.0000 171.9136 58 L 4.4711 7.7851 120.5015 53.7801 42.5857 175.6631 59 P 4.7790 0.0000 0.0000 62.9885 30.9638 176.2065 60 R 4.6469 8.0843 120.7208 55.7511 31.7423 177.3447 61 G 4.1868 8.7972 108.7870 46.3277 0.0000 173.1954 62 R 4.8102 7.2381 117.7722 53.7832 34.6056 174.7352 63 V 4.5866 8.3007 120.4866 62.5597 33.0596 174.6332 64 I 5.1272 9.5000 128.9295 59.4615 40.6622 173.9276 65 E 5.1729 9.1240 126.9534 54.5408 32.5670 174.6705 66 I 4.9920 9.0385 127.3660 59.8756 40.0997 174.0037 67 Y 6.0342 9.3178 125.3101 53.9089 41.8460 174.8288 68 G 4.8446 8.8125 105.4338 43.2089 0.0000 170.8903 69 P 4.7360 0.0000 0.0000 61.8774 31.2943 176.5702 70 E 4.1100 8.4584 117.6322 57.7145 30.1412 177.1618 71 S 3.7541 8.7739 116.9694 60.5891 60.0181 172.9380 72 S 4.3791 7.4160 114.7934 58.5095 62.8584 178.3209 73 G 4.3005 8.4803 106.2122 45.9949 0.0000 175.4145 74 K 3.9404 8.3369 119.7498 59.9844 32.0090 178.8948 75 T 3.9682 8.0501 115.0758 67.0899 68.3422 176.4828 76 T 4.0380 8.0489 116.9650 66.7543 68.5539 176.4051 77 V 3.5684 7.7877 119.3113 66.0465 31.5591 177.6538 78 A 4.0309 8.2643 120.5337 55.4111 18.1265 179.6519 79 L 3.9943 8.7185 117.6599 58.2421 41.6104 179.4631 80 H 4.0547 8.6234 116.3628 58.6881 28.6484 177.5455 81 A 3.9583 8.3828 122.9833 55.1794 18.2103 179.7590 82 V 3.4877 7.8463 116.2922 66.1454 31.6398 177.7065 83 A 3.9651 8.1870 120.7968 55.7066 17.6382 179.4825 84 N 4.3045 8.4413 114.5379 56.3104 38.5054 177.6345 85 A 4.0905 8.0932 122.1749 54.8970 18.3624 179.8064 86 Q 4.2719 8.4280 118.1205 58.5235 28.6591 178.4246 87 A 4.1040 7.8499 120.4314 54.7513 18.3593 178.4876 88 A 4.4132 7.3950 116.1726 51.9961 18.6673 178.0942 89 G 3.8086 8.5030 106.7296 46.2115 0.0000 174.4430 90 G 3.9908 8.1972 107.4075 45.5323 0.0000 173.1026 91 I 4.7141 8.2137 120.7307 59.3487 39.8441 174.6273 92 A 5.3596 8.5716 126.6978 50.1020 22.3435 174.8401 93 A 5.2421 8.6542 121.4403 50.0593 23.1603 175.2893 94 F 4.7175 9.3277 122.3507 56.5101 42.6518 174.3264 95 I 4.2487 8.4593 129.5372 60.5482 37.9298 174.6062 96 D 5.1999 9.5461 128.8867 52.8332 42.2828 176.1484 97 A 4.6926 8.2571 124.7026 51.8888 19.5233 176.1737 98 E 4.2527 8.5491 115.4560 56.1463 31.7047 175.6706 99 H 4.7499 10.0867 114.2162 57.1657 26.2270 175.1997 100 A 4.5880 7.9440 121.2217 52.2602 21.4489 177.3596 101 L 3.6497 7.8074 116.0206 55.9353 42.4367 176.7927 102 D 4.7743 8.4468 124.6646 51.3273 41.9650 174.0836 103 P 4.2169 0.0000 0.0000 65.9961 30.9904 178.0855 104 E 3.9389 8.2403 117.6200 59.2933 29.3157 178.4813 105 Y 4.1448 8.7026 119.7176 60.5261 38.8237 177.5923 106 A 3.7930 8.0845 121.8181 54.9094 18.4543 179.7576 107 K 4.2788 8.2220 118.6723 59.0267 31.9139 179.3339 108 K 3.9852 7.4950 118.4497 59.2667 32.0141 177.7063 109 L 4.2545 6.9574 116.6342 54.3523 41.5411 177.6821 110 G 3.8444 8.1890 107.1897 45.3113 0.0000 174.3688 111 V 3.7605 7.7007 120.5154 62.5602 32.1037 175.0331 112 D 4.7997 9.2981 127.9628 52.5543 40.1104 176.5885 113 T 3.8309 8.3263 115.7436 64.4620 68.9102 176.7793 114 D 4.5389 8.1540 120.5068 56.7313 40.8250 177.5147 115 S 4.4494 7.6200 112.2182 58.5595 63.3768 173.7909 116 L 4.3531 8.0098 124.7233 54.7202 42.4548 176.2544 117 L 4.4138 8.7130 127.1973 54.4159 42.9366 176.1450 118 V 5.0517 8.3553 122.5969 61.2458 34.9466 174.5046 119 S 4.5832 9.0743 120.8248 57.0169 65.9832 172.6992 120 Q 5.7027 8.5970 125.9600 52.1984 28.6955 173.5851 121 P 4.4441 0.0000 0.0000 62.6854 32.2424 176.4373 122 D 4.6285 8.5317 119.5599 56.2954 41.6091 176.9937 123 T 4.7925 7.4082 108.2673 59.0267 72.9684 174.8113 124 G 3.5898 8.8081 108.1233 47.9126 0.0000 175.6665 125 E 3.9603 8.1901 120.8529 59.2660 29.4684 179.0686 126 Q 4.0249 8.1721 118.9755 59.2377 29.1408 178.1707 127 A 3.9938 8.3893 122.0747 55.3967 18.3598 179.6595 128 L 4.0875 8.2492 117.4255 57.6986 41.6502 179.5698 129 E 4.0163 8.3974 118.8906 59.3470 29.3722 179.3055 130 I 3.7508 8.1463 120.0364 64.2073 37.0377 178.4081 131 A 3.9426 7.8007 121.2778 55.0557 18.1827 179.1402 132 D 4.2461 8.4603 116.9961 57.7017 41.0782 178.4160 133 M 4.0322 8.1831 118.2672 58.5063 31.8384 178.3285 134 L 4.1158 8.0231 119.1083 57.7519 41.7230 179.8801 135 V 3.5811 8.0101 118.1768 66.1469 31.4166 178.2318 136 R 4.1054 7.9284 115.8542 58.2880 29.9411 178.4548 137 S 4.3304 7.7214 112.8909 58.8254 63.2844 175.2338 138 G 3.8236 8.1210 109.8898 46.0658 0.0000 174.0249 139 A 4.3380 7.9407 121.1496 52.2421 19.1591 177.6200 140 L 4.9333 7.5250 115.6053 52.9678 44.1951 176.1451 141 D 4.6554 8.8167 122.2039 56.6390 42.4450 176.3064 142 I 5.0385 7.4234 116.1767 59.8077 42.0243 173.6072 143 I 4.9769 8.7614 127.0703 59.6206 41.5420 173.5562 144 V 4.4970 8.4438 129.2905 61.0199 34.3774 174.1578 145 I 4.4124 8.0254 128.5303 59.3806 37.8737 174.2779 146 D 4.5249 8.4881 128.1963 54.7180 42.4020 174.8592 147 S 3.8572 8.7908 118.6879 58.2517 60.2019 171.2777 148 V 3.6862 8.6465 123.6320 65.6532 32.0374 178.2571 149 A 3.9008 8.1690 120.8594 55.2350 18.2846 178.4574 150 A 4.0619 8.2715 117.3986 54.8177 19.0076 178.2122 151 L 4.4098 7.3360 117.1478 54.2607 40.5608 178.0200 152 V 4.1303 7.2126 112.6379 59.6857 33.1550 175.1418 153 P 4.9068 0.0000 0.0000 61.6581 33.2963 177.4275 154 R 3.8380 9.2444 121.7128 59.7980 29.8534 178.5945 155 A 3.9788 8.0993 119.7603 55.4002 18.2334 178.9929 156 E 3.8337 8.1425 116.8919 59.6624 29.5941 178.8782 157 I 3.7718 7.5439 118.1899 63.6541 37.0780 177.2001 158 E 4.6030 7.6917 117.1422 54.9038 31.1110 175.7007 159 G 3.6933 7.8435 107.7121 46.3804 0.0000 174.8418 160 E 4.2657 8.0648 124.3151 56.8707 28.9929 175.9370 161 M 2.9414 7.2765 120.2570 56.2040 30.6343 179.0383 *165 H 4.6196 7.7882 124.6149 54.5941 29.4459 174.7119 166 V 4.2101 7.4795 121.9143 60.7924 34.4043 176.8102 167 G 4.0657 8.9887 109.1172 47.0716 0.0000 175.2615 168 L 3.9063 7.5590 120.6455 58.2813 41.7587 178.6122 169 Q 3.9193 8.0722 118.8039 58.9675 28.9787 177.9237 170 A 4.0393 7.8829 121.5692 55.0690 18.5817 179.3203 171 R 3.8375 7.8207 117.0688 59.4290 29.9123 178.5238 172 L 3.9324 8.0923 120.4810 58.3483 42.1001 178.6950 173 M 3.9928 7.8528 117.7118 58.4978 32.0248 178.2919 174 S 4.1482 8.2475 115.4927 61.8201 63.1918 176.5229 175 Q 3.9605 8.2875 120.3316 59.1071 28.4910 179.1356 176 A 4.0003 7.7843 121.7333 55.0614 18.5496 179.7387 177 L 3.8075 7.7159 117.5903 57.5090 41.2763 179.6780 178 R 3.8913 7.4593 119.7418 58.6662 28.7734 178.4530 179 K 4.1282 7.8276 117.8567 59.5112 32.1150 179.1112 180 M 4.2487 8.4724 119.2158 58.6236 32.1740 178.0388 181 T 3.9779 7.7982 109.9123 64.9895 68.6274 176.1656 182 G 3.6755 7.6014 106.3922 47.7370 0.0000 175.3629 183 A 4.0589 8.0117 123.4073 54.4401 18.2877 179.4764 184 L 3.8999 8.0540 117.5815 58.0002 41.5296 179.2433 185 N 4.2879 8.0007 115.3726 56.7164 38.9910 176.2435 186 N 4.4924 7.9399 116.7490 56.5634 38.8121 177.3606 187 S 4.3379 8.4872 114.3497 59.2219 63.2517 175.3189 188 G 3.8844 8.5915 109.7062 45.9028 0.0000 172.9657 189 T 4.4451 7.4848 116.8973 63.1725 69.9100 174.0045 190 T 4.7611 8.9159 123.3597 62.6343 70.4106 173.5269 191 A 4.9252 8.8097 128.1170 50.2546 21.5974 175.0988 192 I 4.5908 8.3836 124.5276 60.1055 39.2139 175.0181 193 F 4.7190 9.5574 127.5780 56.0609 40.8075 175.1913 194 I 4.5369 8.5303 125.7408 60.5303 38.7440 174.5218 195 N 5.3352 9.2536 126.5654 51.5847 40.1465 172.5104 196 A 4.9025 8.5121 126.9314 51.4401 19.5523 176.2966 197 L 4.7856 8.3737 123.4561 53.9030 44.8358 178.3070 198 R 4.4204 8.3015 116.6115 58.5882 31.9879 176.8201 *209 E 2.9643 8.2412 116.8961 56.6006 31.7479 180.4941 210 T 4.4505 7.6385 110.1401 60.9340 71.3460 180.4818 211 T 4.3900 8.3493 123.7693 59.3455 68.0019 170.5264 212 T 3.8017 8.2114 123.7473 61.0649 66.9623 174.1726 213 G 4.0479 7.5984 108.0304 45.0033 0.0000 175.0334 214 G 3.7468 7.9766 109.4853 46.9852 0.0000 176.2600 215 K 3.9514 7.6924 125.7306 60.0983 31.7259 184.5763 216 A 4.4755 7.9263 121.3601 54.6218 18.5376 179.2288 217 L 3.8776 7.9262 118.7567 58.2349 41.8902 178.9006 218 K 3.8285 7.6764 118.3837 59.1353 32.0651 178.0955 219 F 4.4726 7.1868 116.5357 59.7597 39.2465 177.4108 220 Y 4.2137 8.3819 116.0709 59.3767 37.7909 175.9437 221 A 4.5090 7.4057 122.3615 52.3289 19.3492 177.2722 222 S 4.6781 8.8169 116.0982 59.4774 64.9833 174.5125 223 V 5.5357 7.4554 118.7776 60.9683 35.0113 173.6722 224 R 5.1731 8.6272 125.1898 54.4730 34.0255 173.8328 225 L 4.6866 9.1874 124.5052 52.9753 44.2459 175.2320 226 D 3.7113 8.7904 125.3838 52.9096 41.8202 174.9427 227 V 4.6570 8.2912 127.2508 61.5606 33.9497 174.5509 228 R 4.6288 8.3560 125.3618 55.2159 33.9086 173.6485 229 R 4.5612 8.5762 126.0993 56.0256 30.5494 175.7032 230 I 4.5300 8.6366 119.9262 62.2990 40.1739 176.0571 231 E 4.7688 7.8540 118.0093 54.9604 34.4747 176.7451 232 T 4.6088 8.3173 116.1466 60.6733 68.7573 174.1760 233 L 4.1732 9.3256 131.1133 55.0135 41.9897 177.0999 234 K 4.7652 8.8427 124.1213 58.2671 34.3989 177.3976 235 D 4.8172 8.4995 121.9945 52.9647 38.2611 175.0303 236 G 4.4315 7.5167 108.6047 44.1157 0.0000 172.7083 237 T 3.9946 8.6283 110.4446 63.6138 68.7396 170.3886 238 D 4.6825 7.8544 119.9814 52.4248 40.6078 175.0015 239 A 4.8451 8.3977 123.4226 51.9122 19.2907 177.7916 240 V 4.2733 8.9263 115.8329 61.6371 34.0360 176.0732 241 G 3.2620 6.3398 104.6924 45.2963 0.0000 170.6597 242 N 5.3218 7.4811 115.4240 51.3940 42.9457 173.8178 243 R 4.7656 9.1220 123.5545 55.6922 31.9701 175.1682 244 T 4.9586 8.5507 122.5065 61.6278 72.0732 173.0569 245 R 4.7759 8.8280 124.6502 54.4261 33.2826 174.2708 246 V 4.8551 8.9816 125.8678 60.8658 34.8647 173.8083 247 K 4.6630 8.7817 128.5910 54.7049 34.9641 175.5196 248 V 4.2182 8.6379 128.7720 62.0497 29.7863 176.4591 249 V 4.0595 8.2619 117.6243 62.9336 32.6908 176.2391 250 K 4.4337 7.8671 121.2611 54.5198 35.6352 174.9934 251 N 5.0604 8.4548 126.0869 52.7231 40.2546 173.1408 252 K 4.5127 9.4190 126.0380 56.4585 32.9253 178.7225 253 V 4.3909 8.2266 111.9685 60.8041 33.5243 175.2284 254 S 4.5169 7.7144 112.4357 56.2822 64.9145 172.0370 255 P 4.1311 0.0000 0.0000 62.6037 31.1192 175.2155 256 P 4.2236 0.0000 0.0000 62.7259 32.9198 176.6737 257 F 4.1391 8.3132 115.5211 58.1701 37.5361 175.7138 258 K 4.4540 7.4833 119.9386 56.5514 33.2111 175.8046 259 Q 5.2147 8.4787 119.0243 54.5881 33.0391 174.5006 260 A 4.8333 8.9933 121.2860 50.9374 23.0323 175.1538 261 E 4.9568 8.0032 115.3325 54.8535 33.8561 174.8719 262 F 4.7428 7.8118 114.5600 56.7155 41.9321 172.1301 263 D 5.1928 8.5729 119.1762 52.8562 43.6002 175.7840 264 I 5.3722 8.3286 123.1301 58.4258 39.9207 174.8118 265 L 4.2509 8.4328 127.6041 53.9150 43.1067 176.4328 266 Y 4.4030 7.3677 119.4011 60.1527 38.0782 177.5136 267 G 4.0926 9.2685 112.1165 45.7496 0.0000 172.4324 268 Q 4.8457 8.6637 117.6018 53.7737 33.6742 176.5088 269 G 4.2573 8.0529 114.3581 45.7321 0.0000 174.3803 270 I 4.1575 8.4058 126.0877 60.8677 37.8150 175.5037 271 S 4.2826 9.1832 120.7836 57.5450 62.2034 174.5530 272 R 3.7985 8.6821 128.3697 59.6652 29.9603 177.6895 273 E 3.9954 8.3156 117.9499 59.5825 29.4793 179.5992 274 G 3.6088 8.0465 105.2849 48.0851 0.0000 175.8845 275 S 4.1978 8.1027 117.9299 61.2602 62.9389 176.8904 276 L 4.0124 8.2437 122.0584 57.6235 40.7668 179.4251 277 I 3.8853 7.7982 119.6865 63.5750 36.9723 178.1306 278 D 4.4077 7.9095 119.9442 57.5400 40.9643 178.6840 279 M 4.1016 8.0714 119.2768 58.3317 31.8814 178.9898 280 G 3.9126 8.0692 105.7807 47.7814 0.0000 176.1557 281 V 4.3052 7.9083 122.0543 64.2740 31.4709 178.4787 282 E 4.0873 8.3056 117.5427 58.3980 29.4615 177.4972 283 H 5.0435 8.9946 116.8126 55.1648 29.7978 176.0396 284 G 4.0581 7.8793 106.3880 46.3174 0.0000 175.5011 285 F 4.3047 8.1552 118.5099 59.4936 39.3826 175.4614 286 I 4.8544 8.2648 121.6940 59.1388 40.2196 175.0916 287 R 4.5248 8.9947 132.5087 56.6940 31.7719 176.2833 288 K 4.8869 8.4730 129.4206 54.2144 34.1029 177.1633 289 S 4.2878 8.6988 123.7255 56.1359 63.1462 172.0959 290 G 3.9906 8.4353 110.0368 47.8411 0.0000 174.1335 291 S 4.1059 8.9108 120.8701 57.8115 61.4909 168.8831 292 W 5.1670 8.1000 120.4102 54.7400 32.3087 174.3015 293 F 5.0011 9.2995 124.5237 56.4928 40.2282 175.1387 294 T 5.1539 9.3821 114.0355 59.9855 72.0170 172.4840 295 Y 4.6906 9.1394 124.8089 56.0791 41.3410 175.3923 296 E 3.5507 9.3077 130.1108 57.0648 27.6552 174.8274 297 G 3.8472 8.9845 102.6411 45.7192 0.0000 171.9079 298 E 4.7342 7.3287 112.6185 55.1605 32.6119 175.0230 299 Q 4.4676 8.7565 123.2291 55.9913 29.9464 175.3263 300 L 2.8618 9.9295 124.2049 54.8529 43.3854 176.2255 301 G 4.0672 7.6043 102.7495 42.9356 0.0000 171.8675 302 Q 4.5777 6.1801 121.2587 55.2050 29.5294 175.6074 303 G 4.0086 9.4794 113.8577 45.8355 0.0000 173.7058 304 K 3.5035 9.1550 125.4723 59.6901 32.2559 178.1782 305 E 3.9040 8.0479 118.1672 59.4366 29.4848 178.8336 306 N 4.2678 8.0873 116.3269 56.2100 38.5367 177.2661 307 A 4.0747 7.6755 121.5788 55.0434 18.3842 179.2790 308 R 3.8072 7.7072 119.2740 60.1698 30.1231 179.2793 309 K 3.9030 8.2699 123.6329 59.8164 31.5853 180.2303 310 F 4.2442 8.6058 122.5178 61.4125 39.0904 177.4115 311 L 3.7880 8.4477 119.5907 57.9437 41.3895 179.9637 312 L 4.1231 7.8218 122.2449 59.4087 40.9647 182.8471 313 E 4.2561 7.8876 118.4513 58.7330 31.0643 178.8408 314 N 4.5364 8.2736 119.0381 51.9028 34.7002 175.9157 315 T 3.8423 7.6621 114.1231 64.7114 69.1956 176.2666 316 D 4.0819 7.9333 121.1934 57.2275 41.0331 176.8506 317 V 3.7741 7.0935 116.4338 63.3716 32.4603 174.9844 318 A 4.0658 8.6003 127.7493 53.3176 17.0591 180.0469 319 N 4.2741 7.4266 112.4268 56.4488 38.4303 177.4021 320 E 3.9710 7.8038 119.3597 59.2860 29.6917 178.9109 321 I 3.2447 7.3786 119.4374 63.8568 36.9684 177.9821 322 E 3.7170 8.9277 121.5021 59.1289 29.4684 178.1715 323 K 4.0406 8.2400 119.8693 59.8694 32.0338 178.4109 324 K 3.8618 8.5912 118.6564 59.6644 31.8402 179.4760 325 I 3.1980 7.1220 120.9486 64.6892 37.1923 178.9603 326 K 4.0392 8.7979 125.7353 59.6944 31.2928 180.7309 327 E 4.1173 8.8909 120.0805 59.4707 29.3920 179.7213 328 K 4.1208 8.2093 117.7769 58.6335 32.1449 176.2328 329 L 4.5862 7.8287 114.2050 53.9712 43.8503 176.8823 330 G 4.4020 7.9779 113.5436 46.1166 0.0000 173.3193 331 I 3.9762 8.2683 120.7613 59.9816 35.6104 173.3465 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 5 A 8.26 4.26 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 6 P 0.00 4.11 0.00 2.14 2.03 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 7 D 9.04 4.63 0.00 2.69 2.50 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 8 R 7.92 3.72 0.00 1.90 1.92 0.00 3.21 0.00 0.00 3.34 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 9 E 8.45 3.93 0.00 1.97 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 2.42 2.35 0.00 10 K 8.37 3.95 0.00 1.76 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.33 7.81 11 A 7.97 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.61 3.89 0.00 1.86 1.85 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.02 4.09 0.00 2.03 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 2.62 2.43 0.00 14 L 7.83 3.97 0.00 1.82 1.77 0.92 1.36 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 15 A 8.01 3.99 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 16 M 8.63 4.03 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.58 0.00 17 A 8.40 3.97 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 18 Q 8.16 3.91 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 19 I 8.07 3.76 2.11 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 1.67 1.02 1.09 0.00 0.00 20 D 8.26 4.60 0.00 2.78 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 21 K 7.84 4.00 0.00 1.82 1.90 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.44 7.81 22 N 7.81 4.18 0.00 1.63 1.67 0.00 0.00 6.88 7.25 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 23 F 7.82 4.93 0.00 3.05 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 24 G 9.41 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 0.00 0.00 0.00 25 K 8.50 4.31 0.00 1.79 1.63 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.02 7.81 26 G 8.88 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 0.00 0.00 0.00 27 S 7.79 4.34 0.00 4.15 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 28 V 7.40 4.56 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 0.72 0.00 0.00 0.96 0.00 0.00 29 M 8.19 4.80 0.00 1.98 1.95 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 2.51 2.57 0.00 30 R 8.34 4.42 0.00 1.89 1.86 0.00 3.16 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 31 L 8.82 3.95 0.00 1.69 1.84 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.89 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 0.00 0.00 0.00 33 E 8.13 3.85 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 34 E 8.62 4.33 0.00 2.00 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 2.29 2.24 0.00 35 V 8.39 3.79 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 0.70 0.00 0.00 0.99 0.00 0.00 36 R 8.41 4.73 0.00 1.80 1.78 0.00 3.22 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 37 Q 7.82 4.61 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 38 P 0.00 4.34 0.00 2.03 2.15 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 39 I 6.62 3.14 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 0.91 0.00 0.00 40 S 8.20 4.73 0.00 3.71 3.72 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 41 V 8.47 4.99 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 0.75 0.00 0.00 0.98 0.00 0.00 42 I 8.51 4.34 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 1.22 0.73 0.92 0.00 0.00 43 P 0.00 4.68 0.00 1.89 1.99 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 44 T 9.59 3.80 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 1.28 0.00 0.00 45 G 8.43 3.73 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 0.00 0.00 0.00 46 S 7.44 4.29 0.00 2.87 3.37 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 47 I 8.30 3.65 1.85 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 1.64 0.34 0.89 0.00 0.00 48 S 8.05 4.14 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 49 L 7.97 3.81 0.00 1.95 1.85 0.98 1.34 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 50 D 8.38 4.33 0.00 2.97 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 51 V 7.96 3.52 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 1.05 0.00 0.00 0.98 0.00 0.00 52 A 8.55 3.70 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 53 L 8.36 4.09 0.00 1.94 1.72 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.25 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 0.00 0.00 0.00 55 I 7.59 4.25 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.85 0.91 0.00 0.00 56 G 7.89 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 57 G 7.08 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 58 L 7.79 4.47 0.00 1.63 1.60 0.92 1.15 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 59 P 0.00 4.78 0.00 2.08 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 60 R 8.08 4.65 0.00 1.84 2.08 0.00 3.23 0.00 0.00 3.26 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 61 G 8.80 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.24 4.81 0.00 1.86 1.84 0.00 3.33 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 63 V 8.30 4.59 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.07 0.00 0.00 64 I 9.50 5.13 2.00 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 1.13 0.72 0.95 0.00 0.00 65 E 9.12 5.17 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 66 I 9.04 4.99 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.60 0.93 0.00 0.00 67 Y 9.32 6.03 0.00 3.15 3.08 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 68 G 8.81 4.84 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 0.00 0.00 0.00 69 P 0.00 4.74 0.00 2.08 2.03 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 E 8.46 4.11 0.00 2.17 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 2.38 2.35 0.00 71 S 8.77 3.75 0.00 4.08 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 72 S 7.42 4.38 0.00 3.64 3.77 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 73 G 8.48 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 0.00 0.00 0.00 0.00 74 K 8.34 3.94 0.00 1.87 1.94 0.00 1.99 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.59 7.81 75 T 8.05 3.97 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 1.37 0.00 0.00 76 T 8.05 4.04 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 1.37 0.00 0.00 77 V 7.79 3.57 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.04 0.00 0.00 78 A 8.26 4.03 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 79 L 8.72 3.99 0.00 1.82 1.64 1.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.62 4.05 0.00 3.30 3.34 0.00 5.83 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 81 A 8.38 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.85 3.49 2.27 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 1.02 0.00 0.00 1.01 0.00 0.00 83 A 8.19 3.97 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 84 N 8.44 4.30 0.00 2.86 2.85 0.00 0.00 6.97 7.85 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 85 A 8.09 4.09 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 86 Q 8.43 4.27 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 87 A 7.85 4.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.39 4.41 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 89 G 8.50 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 90 G 8.20 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 0.00 0.00 0.00 91 I 8.21 4.71 2.02 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 1.27 0.69 0.91 0.00 0.00 92 A 8.57 5.36 1.22 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 93 A 8.65 5.24 1.22 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 94 F 9.33 4.72 0.00 3.10 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 95 I 8.46 4.25 1.71 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.66 0.89 0.00 0.00 96 D 9.55 5.20 0.00 3.26 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 97 A 8.26 4.69 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.55 4.25 0.00 2.11 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 2.24 2.42 0.00 99 H 10.09 4.75 0.00 3.22 3.41 0.00 5.56 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.94 4.59 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.81 3.65 0.00 1.22 1.44 0.65 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.45 4.77 0.00 2.70 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 0.00 103 P 0.00 4.22 0.00 2.26 2.25 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 104 E 8.24 3.94 0.00 2.18 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 2.40 2.31 0.00 105 Y 8.70 4.14 0.00 3.00 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 0.00 106 A 8.08 3.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.22 4.28 0.00 1.92 1.82 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 108 K 7.50 3.99 0.00 1.82 1.72 0.00 1.84 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 109 L 6.96 4.25 0.00 1.39 1.20 0.42 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.19 3.84 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 0.00 0.00 0.00 111 V 7.70 3.76 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 0.94 0.00 0.00 0.93 0.00 0.00 112 D 9.30 4.80 0.00 2.71 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 0.00 113 T 8.33 3.83 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 1.19 0.00 0.00 114 D 8.15 4.54 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 0.00 115 S 7.62 4.45 0.00 3.99 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 0.00 116 L 8.01 4.35 0.00 1.56 1.76 1.03 0.92 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 0.00 117 L 8.71 4.41 0.00 1.86 1.59 0.97 0.50 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 0.00 118 V 8.36 5.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 119 S 9.07 4.58 0.00 3.93 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 0.00 120 Q 8.60 5.70 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.23 0.00 121 P 0.00 4.44 0.00 2.06 2.08 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 122 D 8.53 4.63 0.00 2.76 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 0.00 123 T 7.41 4.79 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 1.22 0.00 0.00 124 G 8.81 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 3.96 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 126 Q 8.17 4.02 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 127 A 8.39 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.25 4.09 0.00 1.72 1.76 0.93 1.13 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 0.00 129 E 8.40 4.02 0.00 2.16 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 2.33 2.56 0.00 130 I 8.15 3.75 2.02 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 1.46 0.87 0.92 0.00 0.00 131 A 7.80 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.46 4.25 0.00 2.88 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 0.00 133 M 8.18 4.03 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 134 L 8.02 4.12 0.00 1.80 1.71 0.92 0.68 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 0.00 135 V 8.01 3.58 2.27 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 1.07 0.00 0.00 0.95 0.00 0.00 136 R 7.93 4.11 0.00 1.82 1.98 0.00 3.24 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 137 S 7.72 4.33 0.00 4.04 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 0.00 138 G 8.12 3.82 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 0.00 0.00 0.00 139 A 7.94 4.34 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.53 4.93 0.00 1.61 1.56 0.91 1.05 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 0.00 141 D 8.82 4.66 0.00 2.67 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 0.00 142 I 7.42 5.04 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 1.19 1.42 0.91 0.00 0.00 143 I 8.76 4.98 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.50 0.78 0.00 0.00 144 V 8.44 4.50 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.89 0.00 0.00 145 I 8.03 4.41 1.46 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.48 0.92 0.00 0.00 146 D 8.49 4.52 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.79 3.86 0.00 4.03 3.82 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 0.00 148 V 8.65 3.69 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 0.91 0.00 0.00 1.09 0.00 0.00 149 A 8.17 3.90 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 0.00 150 A 8.27 4.06 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 0.00 151 L 7.34 4.41 0.00 1.77 1.69 1.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.21 4.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 153 P 0.00 4.91 0.00 2.16 2.06 0.00 3.90 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 154 R 9.24 3.84 0.00 1.98 1.95 0.00 3.12 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 1.75 1.68 0.00 155 A 8.10 3.98 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 0.00 156 E 8.14 3.83 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 157 I 7.54 3.77 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.92 0.00 0.00 158 E 7.69 4.60 0.00 1.96 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 2.26 2.53 0.00 159 G 7.84 3.69 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 0.00 0.00 0.00 160 E 8.06 4.27 0.00 2.08 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 2.56 2.32 0.00 161 M 7.28 2.94 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.09 0.00 *165 H 7.79 4.62 0.00 2.95 2.99 0.00 7.13 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 7.48 4.21 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 0.87 0.00 0.00 0.93 0.00 0.00 167 G 8.99 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 0.00 0.00 0.00 168 L 7.56 3.91 0.00 1.82 1.67 0.92 0.75 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 0.00 169 Q 8.07 3.92 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 170 A 7.88 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 0.00 171 R 7.82 3.84 0.00 2.05 2.15 0.00 3.15 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 172 L 8.09 3.93 0.00 1.92 1.81 0.92 1.09 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 0.00 173 M 7.85 3.99 0.00 2.25 1.98 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 2.41 2.69 0.00 174 S 8.25 4.15 0.00 4.12 3.97 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 0.00 0.00 0.00 175 Q 8.29 3.96 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 176 A 7.78 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 7.72 3.81 0.00 1.44 0.21 0.78 0.58 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 0.00 178 R 7.46 3.89 0.00 1.88 2.13 0.00 3.18 0.00 0.00 3.12 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 179 K 7.83 4.13 0.00 1.84 1.82 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.69 7.81 180 M 8.47 4.25 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 181 T 7.80 3.98 4.33 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 1.34 0.00 0.00 182 G 7.60 3.68 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 0.00 0.00 0.00 183 A 8.01 4.06 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 0.00 184 L 8.05 3.90 0.00 1.92 1.90 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 185 N 8.00 4.29 0.00 2.74 3.01 0.00 0.00 7.33 7.14 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 0.00 186 N 7.94 4.49 0.00 2.89 2.87 0.00 0.00 7.13 7.22 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 0.00 187 S 8.49 4.34 0.00 3.97 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 0.00 188 G 8.59 3.88 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 0.00 0.00 0.00 189 T 7.48 4.45 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 1.23 0.00 0.00 190 T 8.92 4.76 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 1.26 0.00 0.00 191 A 8.81 4.93 1.10 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 0.00 0.00 0.00 0.00 0.00 192 I 8.38 4.59 1.77 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 1.21 0.73 0.91 0.00 0.00 193 F 9.56 4.72 0.00 2.97 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 0.00 194 I 8.53 4.54 1.99 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 1.15 0.78 0.97 0.00 0.00 195 N 9.25 5.34 0.00 2.85 2.85 0.00 0.00 6.67 7.28 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 0.00 196 A 8.51 4.90 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 0.00 197 L 8.37 4.79 0.00 1.60 1.59 0.96 0.55 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 0.00 198 R 8.30 4.42 0.00 1.78 1.72 0.00 3.30 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 *209 E 8.24 2.96 0.00 2.01 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 2.13 1.88 0.00 210 T 7.64 4.45 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 0.00 211 T 8.35 4.39 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 0.00 212 T 8.21 3.80 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 0.00 213 G 7.60 4.05 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 0.00 0.00 0.00 214 G 7.98 3.75 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 0.00 0.00 0.00 215 K 7.69 3.95 0.00 1.80 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 216 A 7.93 4.48 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 0.00 217 L 7.93 3.88 0.00 1.61 1.79 0.78 0.22 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 0.00 218 K 7.68 3.83 0.00 1.72 1.66 0.00 1.48 0.00 0.00 0.85 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.95 1.24 7.81 219 F 7.19 4.47 0.00 3.07 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 0.00 220 Y 8.38 4.21 0.00 3.13 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 0.00 221 A 7.41 4.51 1.44 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 0.00 222 S 8.82 4.68 0.00 3.83 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 0.00 223 V 7.46 5.54 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 1.12 0.00 0.00 0.94 0.00 0.00 224 R 8.63 5.17 0.00 1.83 1.96 0.00 3.29 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 225 L 9.19 4.69 0.00 1.45 1.50 0.93 0.78 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 0.00 226 D 8.79 3.71 0.00 2.51 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 0.00 227 V 8.29 4.66 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 228 R 8.36 4.63 0.00 1.89 1.64 0.00 3.12 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 229 R 8.58 4.56 0.00 1.84 1.79 0.00 3.27 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 230 I 8.64 4.53 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 0.86 0.00 0.00 231 E 7.85 4.77 0.00 1.62 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.87 0.00 232 T 8.32 4.61 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 1.22 0.00 0.00 233 L 9.33 4.17 0.00 1.58 1.52 0.90 -0.24 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 0.00 234 K 8.84 4.77 0.00 2.07 1.97 0.00 1.17 0.00 0.00 2.40 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.63 7.81 235 D 8.50 4.82 0.00 2.89 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 0.00 236 G 7.52 4.43 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 0.00 237 T 8.63 3.99 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 0.00 238 D 7.85 4.68 0.00 2.89 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 0.00 239 A 8.40 4.85 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 0.00 240 V 8.93 4.27 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 0.89 0.00 0.00 0.91 0.00 0.00 241 G 6.34 3.26 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 0.00 242 N 7.48 5.32 0.00 2.68 2.62 0.00 0.00 7.04 7.31 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 0.00 243 R 9.12 4.77 0.00 1.87 1.71 0.00 3.00 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 244 T 8.55 4.96 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 245 R 8.83 4.78 0.00 1.68 1.63 0.00 2.99 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 246 V 8.98 4.86 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 0.99 0.00 0.00 0.99 0.00 0.00 247 K 8.78 4.66 0.00 1.84 1.60 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.40 7.81 248 V 8.64 4.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 249 V 8.26 4.06 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 0.83 0.00 0.00 1.09 0.00 0.00 250 K 7.87 4.43 0.00 1.77 1.66 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.36 7.81 251 N 8.45 5.06 0.00 2.62 2.64 0.00 0.00 7.15 6.68 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 0.00 252 K 9.42 4.51 0.00 1.67 1.80 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.57 7.81 253 V 8.23 4.39 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 0.68 0.00 0.00 1.03 0.00 0.00 254 S 7.71 4.52 0.00 3.78 3.71 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 0.00 255 P 0.00 4.13 0.00 2.07 2.10 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 256 P 0.00 4.22 0.00 0.82 1.79 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.38 0.00 257 F 8.31 4.14 0.00 3.24 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 0.00 258 K 7.48 4.45 0.00 1.91 1.76 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.45 7.81 259 Q 8.48 5.21 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 260 A 8.99 4.83 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 0.00 261 E 8.00 4.96 0.00 1.80 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 2.10 2.17 0.00 262 F 7.81 4.74 0.00 3.08 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 0.00 263 D 8.57 5.19 0.00 2.66 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 0.00 264 I 8.33 5.37 1.95 0.00 0.00 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 1.45 2.71 1.10 0.00 0.00 265 L 8.43 4.25 0.00 1.61 1.55 0.90 0.76 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 0.00 266 Y 7.37 4.40 0.00 3.01 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 0.00 267 G 9.27 4.09 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 0.00 0.00 0.00 268 Q 8.66 4.85 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 269 G 8.05 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 0.00 0.00 0.00 0.00 270 I 8.41 4.16 1.67 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.31 0.57 0.00 0.00 271 S 9.18 4.28 0.00 3.80 3.77 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 0.00 272 R 8.68 3.80 0.00 1.85 1.86 0.00 3.20 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 273 E 8.32 4.00 0.00 2.05 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 2.43 2.42 0.00 274 G 8.05 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 S 8.10 4.20 0.00 4.03 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 0.00 276 L 8.24 4.01 0.00 1.77 1.63 0.90 0.51 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 0.00 277 I 7.80 3.89 1.89 0.00 0.00 0.64 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 1.13 0.61 0.00 0.00 278 D 7.91 4.41 0.00 2.74 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 0.00 279 M 8.07 4.10 0.00 2.13 2.13 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 2.86 2.57 0.00 280 G 8.07 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 0.00 281 V 7.91 4.31 2.34 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 1.20 0.00 0.00 1.01 0.00 0.00 282 E 8.31 4.09 0.00 2.13 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 2.18 1.94 0.00 283 H 8.99 5.04 0.00 3.67 3.53 0.00 5.77 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 0.00 284 G 7.88 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 0.00 285 F 8.16 4.30 0.00 3.25 3.26 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 0.00 286 I 8.26 4.85 2.08 0.00 0.00 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 1.34 1.91 1.11 0.00 0.00 287 R 8.99 4.52 0.00 2.05 1.81 0.00 3.14 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 288 K 8.47 4.89 0.00 1.51 1.54 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.99 7.81 289 S 8.70 4.29 0.00 3.61 3.76 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 0.00 290 G 8.44 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 0.00 0.00 0.00 291 S 8.91 4.11 0.00 4.18 4.12 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 0.00 292 W 8.10 5.17 0.00 3.17 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 0.00 293 F 9.30 5.00 0.00 2.92 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 0.00 294 T 9.38 5.15 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 1.34 0.00 0.00 295 Y 9.14 4.69 0.00 3.07 2.97 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 0.00 0.00 0.00 296 E 9.31 3.55 0.00 1.16 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 2.06 2.13 0.00 297 G 8.98 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 0.00 298 E 7.33 4.73 0.00 2.16 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 2.41 2.34 0.00 299 Q 8.76 4.47 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.93 0.00 300 L 9.93 2.86 0.00 1.75 1.52 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 301 G 7.60 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 0.00 0.00 0.00 302 Q 6.18 4.58 0.00 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 1.79 1.44 0.00 303 G 9.48 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 0.00 0.00 0.00 304 K 9.16 3.50 0.00 1.93 1.81 0.00 1.34 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.55 7.81 305 E 8.05 3.90 0.00 1.97 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 0.00 2.35 2.31 0.00 306 N 8.09 4.27 0.00 2.87 2.77 0.00 0.00 6.93 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 307 A 7.68 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 308 R 7.71 3.81 0.00 1.99 2.01 0.00 3.07 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 309 K 8.27 3.90 0.00 1.78 1.81 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.33 7.81 310 F 8.61 4.24 0.00 3.29 3.30 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 0.00 311 L 8.45 3.79 0.00 1.84 1.69 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 312 L 7.82 4.12 0.00 1.73 1.58 0.92 1.19 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 0.00 313 E 7.89 4.26 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 314 N 8.27 4.54 0.00 2.16 2.49 0.00 0.00 6.85 6.20 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 0.00 315 T 7.66 3.84 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 1.26 0.00 0.00 316 D 7.93 4.08 0.00 2.71 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 0.00 317 V 7.09 3.77 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 0.83 0.00 0.00 1.08 0.00 0.00 318 A 8.60 4.07 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 0.00 319 N 7.43 4.27 0.00 2.84 2.85 0.00 0.00 6.76 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 320 E 7.80 3.97 0.00 2.14 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 2.41 2.41 0.00 321 I 7.38 3.24 1.77 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 0.46 -0.30 0.69 0.00 0.00 322 E 8.93 3.72 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 323 K 8.24 4.04 0.00 1.98 1.97 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.55 7.81 324 K 8.59 3.86 0.00 1.39 1.42 0.00 2.05 0.00 0.00 2.08 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.69 7.81 325 I 7.12 3.20 1.79 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 0.87 0.05 0.90 0.00 0.00 326 K 8.80 4.04 0.00 1.65 1.80 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 327 E 8.89 4.12 0.00 1.99 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 2.34 2.57 0.00 328 K 8.21 4.12 0.00 2.28 2.17 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 2.04 7.81 329 L 7.83 4.59 0.00 1.66 1.64 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 330 G 7.98 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 0.00 0.00 0.00 0.00 331 I 8.27 3.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.