NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4031 8.2893 120.3484 55.3482 33.2160 175.1920 2 S 4.2962 8.4570 120.9514 56.4374 64.5316 172.3561 3 S 4.2797 8.2360 116.2927 58.0272 63.6924 176.4229 4 Q 4.0607 8.7149 124.3294 58.6301 28.3530 177.2554 5 I 4.1364 7.1357 109.2140 60.6786 38.4894 176.0666 6 R 4.2304 7.4514 122.0349 56.2224 30.1319 175.5326 7 Q 4.3228 8.8473 121.7231 56.6301 31.8313 173.0539 8 N 4.6562 9.0589 123.0092 54.6369 37.3224 173.1174 9 Y 4.7663 7.2794 118.2139 54.8150 39.0059 174.9681 10 S 4.2656 8.1496 122.6235 58.1236 65.2591 175.0999 11 T 3.6594 8.2623 113.9728 64.7437 68.4346 176.5404 12 D 4.2109 7.8328 121.4560 57.2796 40.8984 178.5717 13 V 3.4722 7.3270 118.1347 65.8880 31.6431 177.3310 14 E 3.6905 7.9861 120.3496 58.4673 29.2619 178.8499 15 A 3.8805 8.0605 120.3254 55.1670 18.4206 179.3184 16 A 3.9025 8.2535 119.7360 55.3100 18.3412 180.0107 17 V 3.5279 8.0450 116.8158 66.4378 31.6037 177.8949 18 N 4.3671 8.0094 115.7738 56.4470 38.3148 177.4634 19 S 4.0591 8.1913 114.5550 61.1980 62.5629 175.8269 20 L 3.9686 8.1876 123.4840 58.0796 41.8277 178.7864 21 V 3.7919 8.3878 118.5897 66.3660 31.3329 177.4088 22 N 4.3250 7.9884 116.2688 56.7763 38.7426 176.4587 23 L 3.9284 8.0542 121.6208 58.3369 42.1274 178.6714 24 Y 3.9769 8.6594 117.0468 61.0656 37.9154 178.0246 25 L 4.0709 8.6534 120.3396 57.8898 41.6709 179.5500 26 Q 4.0425 8.5364 119.4248 59.0133 29.0040 177.7481 27 A 3.8790 8.1217 121.9902 55.3348 18.3502 179.3608 28 S 4.3262 8.8326 111.8541 62.0737 62.5087 175.8373 29 Y 4.4189 8.1759 122.0146 61.0121 38.3612 178.3012 30 T 3.7823 7.9930 116.7613 66.8551 68.4865 176.2816 31 Y 4.0910 7.8476 118.7153 60.8750 37.8401 178.3894 32 L 4.1589 8.4250 121.5004 58.3633 42.1556 179.1441 33 S 4.3342 8.1296 112.3837 61.4731 62.5624 175.8202 34 L 3.4946 7.8785 122.0701 58.0395 41.0229 179.1968 35 G 3.9274 8.6852 104.3513 48.7891 0.0000 175.3273 36 F 4.3016 8.9431 120.2452 59.2488 39.1538 177.3821 37 Y 4.2753 8.3715 120.1296 60.7176 38.6787 177.5470 38 F 4.0949 8.0969 117.3831 59.4298 38.8378 176.4314 39 D 4.5566 7.5426 115.5918 54.6156 41.7915 176.5521 40 R 4.1137 7.3994 119.1415 56.4303 30.5670 177.4605 41 D 4.5535 8.7961 121.5520 55.7085 39.4033 176.7382 42 D 4.6639 8.0019 117.2856 53.4908 40.3682 176.5299 43 V 3.8943 7.6622 117.6328 64.6791 33.2294 175.3956 44 A 3.8012 8.0870 119.2853 53.1205 15.9665 177.1783 45 L 4.6597 8.2620 119.3518 50.7223 43.6943 177.0894 46 E 4.0411 8.8294 124.1566 59.1402 29.5564 178.3710 47 G 3.5027 7.9354 104.9168 47.8402 0.0000 175.6572 48 V 3.2526 7.4852 120.9052 65.3066 31.5312 177.6102 49 S 4.2539 8.3734 113.3319 61.8293 62.1774 175.7058 50 H 3.9955 8.6024 121.0876 59.2391 29.5026 176.7340 51 F 4.0369 8.4265 122.8460 61.4693 39.0403 177.2115 52 F 3.9757 7.9485 117.0656 60.4734 38.3564 178.0431 53 R 3.9821 8.1111 117.4818 58.8268 29.6975 178.7124 54 E 3.8703 7.8274 119.4898 58.9855 29.6894 178.5676 55 L 3.6290 7.0904 118.7286 57.1596 41.3836 179.2635 56 A 4.1574 7.8588 120.9262 55.4008 18.3445 179.2645 57 E 3.8905 7.7852 116.5332 59.5345 29.6373 178.8874 58 E 3.8963 8.1615 118.6353 59.2121 29.3589 179.5253 59 K 4.2134 8.0990 118.7909 59.3623 32.1929 179.3108 60 R 2.7559 8.0174 119.0322 59.2299 29.9713 178.5028 61 E 3.9355 8.3095 118.5282 58.9128 29.1845 179.6824 62 G 3.3218 7.8767 106.3078 47.9160 0.0000 175.4829 63 Y 4.3064 7.7767 121.0710 59.5525 38.0413 177.7954 64 E 4.1332 7.8635 120.5542 59.2843 29.4376 179.2761 65 R 3.9771 8.0988 118.8076 59.3654 30.0697 178.6036 66 L 4.1512 8.0583 118.9013 57.8912 41.5240 179.4724 67 L 4.0693 8.7482 119.3269 57.5322 41.5173 179.5535 68 K 3.9411 8.3601 119.9368 59.7623 32.2305 178.5706 69 M 3.8062 8.2730 118.7755 58.3640 31.8757 177.7381 70 Q 3.8652 8.2381 120.0121 59.5576 29.0489 178.4293 71 N 4.3791 7.6918 115.6236 56.1838 38.5602 177.2301 72 Q 4.0617 7.6086 118.9817 59.0626 29.0022 178.7656 73 R 3.8054 7.7507 118.6594 57.1609 29.7512 178.0720 74 G 3.9925 7.5419 104.9381 45.3027 0.0000 174.1063 75 G 4.3573 7.8119 107.6426 45.0468 0.0000 172.6505 76 R 4.5624 8.9387 117.8352 53.8894 33.0019 175.8385 77 A 4.2193 8.4765 125.4875 51.7001 19.1748 176.7362 78 L 4.4711 9.0689 122.5386 52.8622 44.3550 176.2278 79 F 4.7196 8.4749 122.4832 55.9657 40.5442 175.2382 80 Q 4.7558 8.3079 122.2761 53.4711 31.8378 174.9904 81 D 4.4604 8.5150 118.7959 54.9979 41.2443 176.8507 82 I 4.3272 7.9593 121.8277 59.0775 37.8787 175.8216 83 K 3.9372 8.6882 127.3975 56.0469 32.4289 176.7924 84 K 3.7952 8.4791 125.0732 55.8297 32.9760 174.8383 85 P 4.2228 0.0000 0.0000 62.6413 31.6709 177.5542 86 A 4.0313 8.5752 124.3379 54.2607 18.4500 176.7554 87 E 4.2468 7.0202 113.1865 55.0475 33.6372 174.4991 88 D 4.6213 7.8191 117.8820 54.1393 43.1104 176.7697 89 E 3.7992 7.0545 117.0159 54.0813 32.6906 175.2422 90 W 4.4411 6.3316 121.3246 55.7177 30.6012 177.5160 91 G 3.7964 7.2102 108.3157 47.3899 0.0000 176.3297 92 K 4.7227 9.1000 124.9603 54.7796 34.8414 176.9797 93 T 4.1561 8.7432 117.3525 67.0951 68.3100 174.9985 94 P 4.3692 0.0000 0.0000 65.3229 31.2983 178.5560 95 D 4.3781 8.1557 117.4758 57.3909 40.9886 178.0907 96 A 4.2063 8.3904 121.2339 55.6913 18.4261 179.2690 97 M 4.3290 8.7314 116.8756 58.9612 32.2337 178.6333 98 K 4.0838 8.1680 118.1216 59.2169 32.2069 179.1076 99 A 4.0291 8.2388 120.8517 55.2008 18.3790 179.3131 100 A 3.9816 8.4523 119.5320 55.6792 18.4808 179.4299 101 M 4.0475 8.8609 116.5880 58.8037 32.3434 178.2913 102 A 3.9893 8.3690 121.1148 55.1384 18.6179 179.1175 103 L 3.8756 8.4090 119.2438 58.4599 42.0462 179.2147 104 E 4.0152 8.4467 118.2466 59.5685 29.5473 179.4115 105 K 4.1294 8.2673 118.5016 59.2405 32.0245 179.3544 106 K 3.9109 8.1774 119.8884 59.4701 32.1466 178.7004 107 L 3.8290 7.8181 119.1906 57.8990 41.5042 178.8989 108 N 4.2953 8.6878 117.1045 57.0494 38.7948 176.5789 109 Q 3.9352 8.1915 120.4403 58.9960 29.0468 177.9949 110 A 3.9790 8.0245 121.8443 55.0986 18.3540 179.4880 111 L 3.9542 8.2319 117.8180 58.1681 41.7007 179.8988 112 L 4.0384 8.2385 118.9198 57.8326 41.4121 179.4028 113 D 4.3620 8.2175 119.0960 57.1702 40.7209 178.4961 114 L 3.9887 8.3446 121.3366 58.1613 41.9581 178.6027 115 H 4.0656 8.5547 118.3502 59.2146 29.8716 176.8953 116 A 4.0232 8.2218 122.7485 55.1730 18.0650 179.2034 117 L 3.9698 8.3638 119.1145 58.3653 42.2067 179.2927 118 G 3.7088 8.2552 105.6604 48.1092 0.0000 175.6694 119 S 4.1371 8.3462 117.5766 61.1028 62.6273 176.4901 120 A 4.0333 7.8983 122.3097 55.3015 18.2164 179.1240 121 R 4.2403 8.0172 113.4602 55.1709 31.0182 176.7797 122 T 3.4490 7.6702 108.2307 62.8477 68.2244 174.3959 123 D 4.7796 8.3079 121.3728 52.6578 40.9912 173.1210 124 P 4.2757 0.0000 0.0000 65.6732 31.4844 177.8440 125 H 4.0892 8.2036 117.6099 58.8739 29.9211 176.7059 126 L 4.0515 8.2170 121.6033 58.3628 41.9412 178.3978 127 C 3.9833 8.0178 116.2763 62.9219 28.0771 175.4711 128 D 4.4844 8.1755 119.3335 57.5999 40.8384 177.8623 129 F 4.1045 8.5665 121.3366 61.6629 39.2116 177.1748 130 L 4.3582 8.1773 118.2919 57.6857 41.3289 179.1969 131 E 4.0178 8.1868 117.6999 59.7185 29.4926 179.3198 132 T 3.9112 8.1028 114.9685 66.3108 68.6928 175.8033 133 H 4.4392 7.4420 113.6450 55.3420 29.6161 174.6633 134 F 4.6312 7.5312 117.6793 58.5890 41.7125 176.4533 135 L 4.0109 8.2478 120.2532 58.6307 41.4450 179.4808 136 D 4.3830 8.0386 116.8105 57.2333 41.2636 178.0062 137 E 3.9719 8.1136 118.9210 59.2201 29.5096 178.9294 138 E 3.9998 8.5439 118.8132 59.4366 29.5480 179.2174 139 V 3.5967 7.6586 118.0203 66.1956 31.5199 178.1130 140 K 3.9359 8.0082 117.7928 59.4993 31.9335 179.0413 141 L 4.0632 7.9757 120.4755 58.1556 41.9047 179.1146 142 I 3.7521 8.3616 120.0473 64.4055 37.0659 178.1991 143 K 3.8309 8.3875 120.8068 59.4411 31.9348 178.5472 144 K 3.8646 8.5205 120.2161 59.8394 32.0429 178.7578 145 M 4.2958 8.3516 119.1450 58.1674 31.8927 178.7741 146 G 3.7337 8.8163 106.3859 48.0584 0.0000 175.1986 147 D 4.3585 8.2426 121.7821 57.4571 40.7970 178.7677 148 H 4.1436 8.0968 116.4031 58.7299 28.6351 177.8541 149 L 4.0030 8.2140 120.8653 58.3532 41.4310 179.5885 150 T 3.9596 7.9227 115.4966 66.8789 68.2052 176.1584 151 N 4.4418 8.1525 117.6994 55.6902 38.4935 177.6036 152 L 4.0153 7.8948 120.1859 57.9708 41.7693 178.6284 153 H 4.2931 8.5357 117.8575 59.2266 29.9016 177.0998 154 R 4.0528 7.7073 119.7210 58.7903 29.9370 176.7250 155 L 4.3639 7.5611 122.8241 54.8242 41.9502 176.2701 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 4.40 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 S 8.46 4.30 0.00 4.11 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 3 S 8.24 4.28 0.00 3.95 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 4 Q 8.71 4.06 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 5 I 7.14 4.14 1.84 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 1.16 0.62 0.89 0.00 0.00 6 R 7.45 4.23 0.00 1.88 1.97 0.00 3.20 0.00 0.00 3.04 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 7 Q 8.85 4.32 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.09 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 8 N 9.06 4.66 0.00 2.86 2.86 0.00 0.00 6.94 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 9 Y 7.28 4.77 0.00 2.73 2.81 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 10 S 8.15 4.27 0.00 4.01 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 11 T 8.26 3.66 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 1.14 0.00 0.00 12 D 7.83 4.21 0.00 2.63 2.70 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 0.00 0.00 0.00 13 V 7.33 3.47 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.89 0.00 0.00 14 E 7.99 3.69 0.00 1.45 1.84 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 2.22 2.44 0.00 15 A 8.06 3.88 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 16 A 8.25 3.90 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 17 V 8.05 3.53 2.32 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 0.92 0.00 0.00 1.07 0.00 0.00 18 N 8.01 4.37 0.00 2.90 2.77 0.00 0.00 6.78 6.69 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 19 S 8.19 4.06 0.00 3.96 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 20 L 8.19 3.97 0.00 1.98 1.93 0.93 0.83 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 21 V 8.39 3.79 2.32 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 1.03 0.00 0.00 1.08 0.00 0.00 22 N 7.99 4.33 0.00 2.79 3.01 0.00 0.00 6.93 7.77 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 23 L 8.05 3.93 0.00 1.78 1.80 0.87 0.76 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 24 Y 8.66 3.98 0.00 3.55 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 25 L 8.65 4.07 0.00 1.78 1.63 0.85 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.54 4.04 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 27 A 8.12 3.88 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 28 S 8.83 4.33 0.00 4.21 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.18 4.42 0.00 3.25 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 30 T 7.99 3.78 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 0.79 0.00 0.00 31 Y 7.85 4.09 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.43 4.16 0.00 1.99 2.22 1.32 1.00 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 33 S 8.13 4.33 0.00 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.88 3.49 0.00 1.38 0.77 -0.05 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.69 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 36 F 8.94 4.30 0.00 3.35 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 37 Y 8.37 4.28 0.00 3.35 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.10 4.09 0.00 3.24 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 39 D 7.54 4.56 0.00 2.65 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 40 R 7.40 4.11 0.00 1.96 2.00 0.00 3.41 0.00 0.00 3.52 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 41 D 8.80 4.55 0.00 2.80 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 42 D 8.00 4.66 0.00 2.82 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 43 V 7.66 3.89 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 0.49 0.00 0.00 0.57 0.00 0.00 44 A 8.09 3.80 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 45 L 8.26 4.66 0.00 1.74 1.52 1.00 0.89 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 46 E 8.83 4.04 0.00 2.02 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 2.37 2.39 0.00 47 G 7.94 3.50 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 0.00 48 V 7.49 3.25 1.61 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 0.10 0.00 0.00 0.64 0.00 0.00 49 S 8.37 4.25 0.00 3.99 4.02 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 50 H 8.60 4.00 0.00 3.26 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.43 4.04 0.00 2.88 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 52 F 7.95 3.98 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.11 3.98 0.00 1.83 1.91 0.00 2.36 0.00 0.00 2.84 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 54 E 7.83 3.87 0.00 2.00 1.76 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 2.19 2.23 0.00 55 L 7.09 3.63 0.00 0.80 0.13 -0.30 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.86 4.16 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.79 3.89 0.00 2.09 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 2.28 2.36 0.00 58 E 8.16 3.90 0.00 2.14 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 2.24 2.48 0.00 59 K 8.10 4.21 0.00 2.25 2.27 0.00 2.21 0.00 0.00 1.97 0.00 0.00 3.08 0.00 0.00 3.61 0.00 0.00 0.00 0.00 2.01 2.05 7.81 60 R 8.02 2.76 0.00 1.87 1.98 0.00 3.11 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.52 0.00 61 E 8.31 3.94 0.00 2.09 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 2.23 2.21 0.00 62 G 7.88 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 0.00 0.00 0.00 63 Y 7.78 4.31 0.00 3.36 3.43 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 64 E 7.86 4.13 0.00 2.07 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 2.35 2.10 0.00 65 R 8.10 3.98 0.00 2.03 2.12 0.00 2.64 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.70 0.00 66 L 8.06 4.15 0.00 2.02 1.80 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.75 4.07 0.00 1.95 1.88 1.30 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.36 3.94 0.00 2.05 1.99 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 69 M 8.27 3.81 0.00 1.65 1.26 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.11 0.00 70 Q 8.24 3.87 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 71 N 7.69 4.38 0.00 2.79 2.86 0.00 0.00 7.17 8.73 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 72 Q 7.61 4.06 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 73 R 7.75 3.81 0.00 0.70 0.81 0.00 2.91 0.00 0.00 2.77 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 0.00 74 G 7.54 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 75 G 7.81 4.36 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 0.00 76 R 8.94 4.56 0.00 1.72 1.79 0.00 3.33 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 77 A 8.48 4.22 0.97 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 0.00 0.00 78 L 9.07 4.47 0.00 1.39 1.46 0.86 0.34 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 79 F 8.47 4.72 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 80 Q 8.31 4.76 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 81 D 8.52 4.46 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.96 4.33 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 1.09 0.00 0.00 83 K 8.69 3.94 0.00 1.73 1.93 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 84 K 8.48 3.80 0.00 1.73 1.77 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.39 7.81 85 P 0.00 4.22 0.00 2.31 2.27 0.00 3.15 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 86 A 8.58 4.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.02 4.25 0.00 1.16 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 1.67 1.67 0.00 88 D 7.82 4.62 0.00 2.39 2.52 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 89 E 7.05 3.80 0.00 1.52 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 1.99 2.07 0.00 90 W 6.33 4.44 0.00 3.11 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 91 G 7.21 3.80 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 0.00 0.00 0.00 92 K 9.10 4.72 0.00 2.08 1.87 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.57 7.81 93 T 8.74 4.16 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 94 P 0.00 4.37 0.00 2.23 2.16 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 95 D 8.16 4.38 0.00 3.23 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 96 A 8.39 4.21 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 M 8.73 4.33 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 98 K 8.17 4.08 0.00 2.12 1.92 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.54 7.81 99 A 8.24 4.03 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 0.00 100 A 8.45 3.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.86 4.05 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 102 A 8.37 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.41 3.88 0.00 1.69 1.87 0.82 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.45 4.02 0.00 2.30 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 2.74 2.64 0.00 105 K 8.27 4.13 0.00 1.97 1.90 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.67 7.81 106 K 8.18 3.91 0.00 1.93 2.03 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 107 L 7.82 3.83 0.00 1.89 1.60 0.81 -0.38 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 0.00 108 N 8.69 4.30 0.00 2.91 3.06 0.00 0.00 6.92 7.39 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 0.00 109 Q 8.19 3.94 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 110 A 8.02 3.98 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 0.00 111 L 8.23 3.95 0.00 1.96 1.81 1.14 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.24 4.04 0.00 1.83 1.74 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.22 4.36 0.00 2.93 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 0.00 114 L 8.34 3.99 0.00 1.83 1.89 0.95 0.95 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 0.00 115 H 8.55 4.07 0.00 3.41 3.46 0.00 5.66 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 0.00 116 A 8.22 4.02 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 0.00 117 L 8.36 3.97 0.00 1.85 1.93 0.90 0.89 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 0.00 118 G 8.26 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 0.00 0.00 0.00 119 S 8.35 4.14 0.00 4.00 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 0.00 120 A 7.90 4.03 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 0.00 121 R 8.02 4.24 0.00 1.78 1.96 0.00 3.46 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 122 T 7.67 3.45 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 1.28 0.00 0.00 123 D 8.31 4.78 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.28 0.00 2.34 2.32 0.00 3.78 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 2.12 2.06 0.00 125 H 8.20 4.09 0.00 3.24 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.22 4.05 0.00 1.97 1.95 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 127 C 8.02 3.98 0.00 3.25 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 0.00 128 D 8.18 4.48 0.00 2.92 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 0.00 129 F 8.57 4.10 0.00 3.13 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 0.00 130 L 8.18 4.36 0.00 2.11 1.88 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.19 4.02 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 132 T 8.10 3.91 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 133 H 7.44 4.44 0.00 2.16 2.52 0.00 5.60 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.53 4.63 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.25 4.01 0.00 1.72 1.79 0.92 0.94 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 0.00 136 D 8.04 4.38 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.11 3.97 0.00 2.14 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 2.28 2.19 0.00 138 E 8.54 4.00 0.00 2.26 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 2.66 2.62 0.00 139 V 7.66 3.60 2.24 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 1.13 0.00 0.00 1.04 0.00 0.00 140 K 8.01 3.94 0.00 2.02 1.85 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.60 7.81 141 L 7.98 4.06 0.00 1.89 1.97 1.00 1.17 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 0.00 142 I 8.36 3.75 2.05 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 1.48 0.90 0.96 0.00 0.00 143 K 8.39 3.83 0.00 1.85 1.99 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 144 K 8.52 3.86 0.00 1.98 2.06 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 145 M 8.35 4.30 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.82 0.00 146 G 8.82 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 0.00 147 D 8.24 4.36 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 H 8.10 4.14 0.00 3.27 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.21 4.00 0.00 1.89 1.77 0.99 1.08 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 0.00 150 T 7.92 3.96 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 1.19 0.00 0.00 151 N 8.15 4.44 0.00 2.75 2.83 0.00 0.00 6.98 6.29 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 0.00 152 L 7.89 4.02 0.00 1.88 1.76 0.93 1.12 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 0.00 153 H 8.54 4.29 0.00 3.14 3.30 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.71 4.05 0.00 1.89 2.19 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 155 L 7.56 4.36 0.00 1.61 1.56 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00