NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2532 8.3144 122.1401 54.4656 33.5339 175.9639 6 E 4.1988 7.5961 118.9446 55.9304 30.6120 174.8548 7 R 4.7097 8.1784 121.8610 53.7266 31.8187 173.6591 8 R 4.4575 7.8059 118.1826 53.2809 32.0040 175.0161 9 I 3.5214 8.4995 124.7572 64.1406 37.8408 177.3961 10 G 3.5604 7.9547 105.5311 47.7902 0.0000 175.2992 11 R 3.8698 7.9195 121.3324 59.1422 30.1980 177.7799 12 L 3.7607 8.2372 118.7382 58.2991 41.6428 179.3254 13 S 3.9816 8.5670 112.7773 61.7679 62.1442 176.8341 14 V 3.6307 8.0500 120.7236 66.1421 31.3651 177.9066 15 L 3.8814 8.3143 119.1261 57.5789 41.1783 179.4966 16 L 4.0648 7.5508 119.5807 57.5475 42.2284 178.0922 17 L 4.1358 7.5695 119.0868 58.4245 42.2100 178.7317 18 L 4.2862 8.1071 117.6559 55.8675 41.5947 176.4922 19 N 4.6979 7.5486 116.2948 52.0192 39.4962 175.1075 20 E 4.5050 8.4983 128.2695 54.7494 28.8281 176.1344 21 A 4.4560 7.1280 120.3375 52.1046 22.2343 176.1808 22 E 3.7776 8.7561 121.2301 57.6881 26.7330 175.1562 23 E 4.1081 7.9784 120.9930 58.9898 30.1803 178.4276 24 S 3.8998 8.0649 114.1501 61.7002 62.5354 176.6182 25 T 3.8702 7.8055 112.9043 64.5566 68.5980 176.1384 26 Q 4.6138 7.6647 122.0698 57.4671 29.0261 178.0092 27 V 3.6430 8.5174 120.4649 65.8623 31.6728 177.9178 28 E 3.9837 8.5334 118.7260 59.2236 29.3624 178.8396 29 E 3.9665 7.9480 119.1885 59.0516 29.6529 178.7741 30 L 4.0338 7.6435 120.4043 58.3775 42.3199 178.7596 31 E 4.3849 8.4797 120.1710 58.8778 29.2400 179.0878 32 R 4.0922 8.0379 117.3838 58.0450 30.3903 175.8795 33 D 4.8574 8.1005 117.9578 54.4804 42.0898 175.5530 34 G 3.8704 7.9361 101.5971 46.6624 0.0000 172.6914 35 W 5.3033 7.6418 116.3500 54.7229 34.8226 176.4921 36 K 4.7207 9.2825 119.4649 55.0460 34.4073 175.5341 37 V 4.7819 8.3650 124.8505 61.5212 33.6733 174.9025 38 C 4.6527 8.6424 126.6044 58.5574 34.8872 172.6315 39 L 4.8461 8.0884 125.3666 53.1909 45.3107 175.6223 40 G 3.5827 6.5942 105.1905 45.9751 0.0000 171.9463 41 K 5.2928 8.6002 119.6538 54.8268 35.6447 176.1350 42 V 4.3572 9.5434 124.2548 61.3043 34.8182 175.1891 43 G 4.1137 8.8252 116.2703 45.7691 0.0000 172.7358 44 S 4.7747 7.6965 112.5482 56.4655 65.5048 172.7902 45 M 4.7523 8.3846 122.5894 54.8970 33.0686 175.0138 46 D 4.8204 7.7409 115.6928 52.0089 44.0049 175.2290 47 A 3.9737 8.5828 128.6349 55.8573 18.3080 179.5741 48 H 4.1919 8.2857 115.8995 59.4555 29.5062 177.6467 49 K 3.9169 8.0100 119.2900 58.5007 31.7786 179.3204 50 V 3.6143 7.5240 118.5972 65.5491 31.6183 177.7792 51 I 3.5534 7.6696 118.1266 63.8416 37.8504 177.4267 52 A 3.9818 8.1889 121.7257 55.4113 18.1941 179.0572 53 A 3.9117 7.5254 117.8829 55.6070 18.3737 179.6319 54 I 3.3070 7.8840 117.6480 64.3426 37.2852 178.1289 55 E 3.9057 8.7246 120.5297 59.7014 28.6110 179.2290 56 T 3.8758 7.9287 115.1472 66.6812 68.7915 176.6633 57 A 4.5835 8.4656 123.0602 55.4325 18.3529 179.9121 58 S 4.1966 8.4478 113.7174 61.7025 62.5086 176.9252 59 K 4.5721 7.8977 123.1347 58.9123 31.8198 178.7177 60 K 4.0135 9.3953 118.7953 58.3207 32.2956 176.4525 61 S 4.6481 7.4536 112.8889 58.0390 62.7221 173.9302 62 G 4.0319 7.9511 103.2638 46.3258 0.0000 175.9062 63 V 3.8077 7.9936 120.1703 64.8298 32.0607 176.3740 64 I 4.6593 7.4550 112.5255 58.7183 40.1386 174.7184 65 Q 4.4657 8.9302 122.0239 55.5349 29.5912 175.9376 66 S 4.6847 8.2700 114.4691 57.3748 63.1628 172.2612 67 E 4.8516 8.7046 122.7737 57.0041 36.3730 175.6978 68 G 4.0717 7.7012 108.0663 42.8927 0.0000 173.2258 69 Y 4.4054 7.8685 116.1130 59.4114 37.8885 177.5876 70 R 3.8217 7.4486 120.5034 60.0494 29.9554 177.9760 71 E 3.9983 8.0922 117.3169 59.5066 29.7089 179.2904 72 S 4.1553 8.1364 112.7028 61.5419 62.4368 175.9417 73 H 4.1121 8.7615 119.1765 58.9163 28.3608 177.6181 74 A 4.1116 8.4088 122.6942 54.7070 17.9852 179.4628 75 L 4.0231 7.7339 119.2502 58.2980 42.2520 177.6812 76 Y 4.1359 7.8081 119.1826 61.5333 38.5026 177.9877 77 H 4.0169 8.2875 116.1953 58.7863 28.8231 177.4955 78 A 3.9809 7.6051 120.9761 55.7353 18.1924 179.4427 79 T 3.6631 8.4306 114.2844 66.9567 68.5522 175.9747 80 M 3.7067 8.4165 120.6018 58.9486 31.6318 178.0437 81 E 3.8034 8.3036 118.8904 59.3334 29.8418 178.7029 82 A 3.9600 7.8400 120.2309 54.9095 18.4615 179.2202 83 L 3.8994 8.4759 119.4500 58.5201 41.9569 178.8241 84 H 4.2353 8.6211 115.6881 58.2933 28.5899 177.4665 85 G 3.7448 7.4053 106.2479 47.0912 0.0000 175.9543 86 V 3.9734 7.5867 119.5164 64.7110 31.8192 176.0442 87 T 4.2659 7.5570 110.9121 60.4263 68.0253 172.7280 88 R 4.4442 7.9054 125.2767 56.3864 33.3800 175.9540 89 G 4.1900 7.6639 101.6119 47.0928 0.0000 174.2422 90 E 3.9304 8.1551 119.7867 58.6973 30.0482 177.4083 91 M 4.1591 8.0325 118.2354 57.9425 32.8084 177.6517 92 L 3.9298 7.3392 119.0640 57.6385 42.3266 178.5554 93 L 4.4917 7.6165 117.8161 53.9042 39.4391 179.1487 94 G 4.2185 7.7092 107.0438 45.4729 0.0000 172.0636 95 S 4.6014 7.9856 127.5490 58.1106 64.2380 175.1308 96 L 4.4723 7.7739 122.1399 53.4755 43.0823 175.4121 97 L 3.6447 8.4827 128.6994 55.3748 39.4367 175.8368 98 R 3.9407 7.8792 117.0233 56.0444 30.5448 176.6799 99 T 3.9861 8.5641 118.2655 62.5608 67.8007 172.9979 100 V 4.6187 7.8866 122.9920 58.6182 34.6133 175.2027 101 G 4.0521 8.7049 113.4176 44.5164 0.0000 171.0272 102 L 4.9348 9.8246 128.2327 52.6759 43.8084 175.7950 103 R 5.0945 8.2565 123.6925 54.7119 32.3245 174.9433 104 F 5.6952 8.9248 120.0415 55.2041 42.2371 173.3243 105 A 5.1136 9.1132 119.9437 50.4044 22.8471 175.3488 106 V 4.9812 8.9239 120.3135 61.1134 35.5546 174.2136 107 L 5.2033 8.7223 127.6300 53.5362 45.7279 174.6044 108 R 5.1679 9.7116 126.4691 53.8987 33.3098 175.0698 109 G 4.2744 8.0894 111.6277 46.7839 0.0000 169.8701 110 N 5.5055 7.5194 117.8941 50.5926 41.0060 174.0519 111 P 4.7977 0.0000 0.0000 61.4775 30.2626 176.2812 112 Y 4.2117 7.6585 119.0439 58.1584 39.5547 174.0500 113 E 4.2053 8.3570 123.9850 57.1526 31.4166 175.8025 114 S 4.3820 7.5828 112.7446 58.5339 70.0800 174.9928 115 E 3.8771 8.6900 121.6669 57.7262 29.6813 176.9290 116 A 4.5175 8.1675 116.4716 52.4895 15.7166 175.8506 117 E 4.1838 8.4223 122.6973 57.6101 30.7074 177.9679 118 G 3.9846 7.5474 104.1071 45.5502 0.0000 171.7611 119 D 5.1265 8.1357 118.4647 52.9060 43.8041 175.6385 120 W 5.0468 9.7895 120.6524 55.0068 33.3283 174.5323 121 I 5.2138 9.2169 120.7085 59.4473 41.2858 173.7138 122 A 5.0804 9.3209 130.5503 50.3732 21.3263 174.5883 123 V 4.9295 9.4160 124.2506 61.6631 33.9656 174.8306 124 S 4.6527 9.0088 121.8857 56.5821 66.5089 172.9626 125 L 5.3377 8.8338 122.1049 53.6540 45.6612 175.6143 126 Y 5.5273 8.6948 123.0543 57.7996 41.1941 173.3020 127 G 4.3493 8.4532 114.0528 44.1767 0.0000 169.1383 128 T 5.1952 8.0861 112.4004 60.2242 71.5759 173.4911 129 I 4.4625 8.8360 125.6557 59.3686 40.6965 174.9050 130 G 4.1361 8.5335 115.2676 45.6066 0.0000 173.2471 131 A 4.7904 8.7186 127.3055 49.9156 20.4506 176.5083 132 P 4.4411 0.0000 0.0000 65.6598 31.4836 177.4612 133 I 4.0039 6.8805 118.7849 60.3604 37.1951 175.7044 134 K 4.1034 8.4610 123.7521 57.0678 32.7144 176.7336 135 G 4.1729 8.7068 109.4987 46.2594 0.0000 172.8259 136 L 4.7807 7.4541 121.0076 52.9354 45.0708 175.0659 137 E 5.2938 8.7698 124.0916 54.9310 33.9802 174.4818 138 H 5.0027 9.3513 118.7985 54.1262 32.2950 172.8422 139 E 4.9408 8.9709 122.3228 55.8376 30.5665 175.7618 140 T 4.9404 8.6892 112.8270 60.2742 72.5352 172.6522 141 F 5.3575 8.7236 123.9522 57.4573 42.6089 173.3668 142 G 4.5548 8.4220 111.8044 44.5235 0.0000 171.7353 143 V 4.7514 8.0108 121.0956 61.0064 34.6424 174.1794 144 G 4.7186 10.1178 115.3978 43.6015 0.0000 171.6778 145 I 5.3032 8.4532 125.3651 59.5876 40.1353 174.4384 146 N 5.1710 9.5016 125.2505 52.1009 43.0163 172.2630 147 H 4.1445 8.3188 124.7560 54.5789 30.8368 175.2306 148 I 3.9112 7.8069 125.8332 61.6837 36.8994 175.7585 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 K 8.31 4.25 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 6 E 7.60 4.20 0.00 1.99 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 2.24 2.37 0.00 7 R 8.18 4.71 0.00 1.83 1.80 0.00 3.25 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 8 R 7.81 4.46 0.00 1.84 1.81 0.00 3.30 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 9 I 8.50 3.52 2.19 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 1.59 1.28 0.90 0.00 0.00 10 G 7.95 3.56 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 0.00 11 R 7.92 3.87 0.00 1.88 2.06 0.00 3.21 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 12 L 8.24 3.76 0.00 1.53 1.36 0.76 0.74 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 13 S 8.57 3.98 0.00 3.80 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 14 V 8.05 3.63 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 1.15 0.00 0.00 1.23 0.00 0.00 15 L 8.31 3.88 0.00 1.79 1.70 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.55 4.06 0.00 1.56 1.83 0.88 0.89 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 17 L 7.57 4.14 0.00 1.93 1.94 1.09 1.37 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 18 L 8.11 4.29 0.00 1.55 1.58 0.56 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.55 4.70 0.00 2.66 2.71 0.00 0.00 7.11 7.53 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 20 E 8.50 4.50 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 21 A 7.13 4.46 1.21 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 0.00 0.00 22 E 8.76 3.78 0.00 2.19 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 2.31 2.36 0.00 23 E 7.98 4.11 0.00 1.99 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 2.34 0.00 24 S 8.06 3.90 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.81 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 26 Q 7.66 4.61 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 27 V 8.52 3.64 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 1.07 0.00 0.00 0.97 0.00 0.00 28 E 8.53 3.98 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 2.35 2.39 0.00 29 E 7.95 3.97 0.00 2.13 2.20 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 2.35 2.35 0.00 30 L 7.64 4.03 0.00 2.01 1.73 0.74 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.48 4.38 0.00 2.10 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 2.42 2.41 0.00 32 R 8.04 4.09 0.00 2.03 2.23 0.00 3.24 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 33 D 8.10 4.86 0.00 2.81 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 34 G 7.94 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 0.00 0.00 0.00 35 W 7.64 5.30 0.00 3.38 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 36 K 9.28 4.72 0.00 1.91 1.80 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.58 7.81 37 V 8.36 4.78 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 0.73 0.00 0.00 0.94 0.00 0.00 38 C 8.64 4.65 0.00 3.07 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 39 L 8.09 4.85 0.00 1.36 1.28 0.86 0.88 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 40 G 6.59 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.60 5.29 0.00 1.67 1.64 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.38 7.81 42 V 9.54 4.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.09 0.00 0.00 43 G 8.83 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.70 4.77 0.00 3.78 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 45 M 8.38 4.75 0.00 1.95 1.96 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 2.45 2.47 0.00 46 D 7.74 4.82 0.00 2.70 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 47 A 8.58 3.97 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 48 H 8.29 4.19 0.00 3.28 3.46 0.00 5.79 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 49 K 8.01 3.92 0.00 1.82 1.82 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.50 7.81 50 V 7.52 3.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 51 I 7.67 3.55 1.90 0.00 0.00 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 1.65 1.12 1.08 0.00 0.00 52 A 8.19 3.98 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 53 A 7.53 3.91 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 54 I 7.88 3.31 1.67 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.18 0.72 0.00 0.00 55 E 8.72 3.91 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 56 T 7.93 3.88 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 1.23 0.00 0.00 57 A 8.47 4.58 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.45 4.20 0.00 4.09 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 59 K 7.90 4.57 0.00 1.95 2.00 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.45 7.81 60 K 9.40 4.01 0.00 1.97 1.89 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.48 7.81 61 S 7.45 4.65 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.95 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.99 3.81 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 0.89 0.00 0.00 1.03 0.00 0.00 64 I 7.45 4.66 1.91 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 1.52 0.61 0.96 0.00 0.00 65 Q 8.93 4.47 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 66 S 8.27 4.68 0.00 4.02 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 67 E 8.70 4.85 0.00 2.03 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 2.16 2.22 0.00 68 G 7.70 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 69 Y 7.87 4.41 0.00 2.79 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 70 R 7.45 3.82 0.00 1.70 1.89 0.00 3.07 0.00 0.00 3.15 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 71 E 8.09 4.00 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 72 S 8.14 4.16 0.00 3.97 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 0.00 73 H 8.76 4.11 0.00 3.49 3.31 0.00 5.88 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 74 A 8.41 4.11 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 75 L 7.73 4.02 0.00 1.77 1.89 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.81 4.14 0.00 3.16 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 77 H 8.29 4.02 0.00 3.28 3.31 0.00 5.70 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 78 A 7.61 3.98 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 79 T 8.43 3.66 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 80 M 8.42 3.71 0.00 1.82 1.62 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 81 E 8.30 3.80 0.00 1.99 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 2.26 2.28 0.00 82 A 7.84 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 83 L 8.48 3.90 0.00 1.73 1.79 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.62 4.24 0.00 3.20 3.35 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.41 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.59 3.97 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 0.95 0.00 0.00 1.01 0.00 0.00 87 T 7.56 4.27 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 88 R 7.91 4.44 0.00 1.77 1.81 0.00 3.23 0.00 0.00 3.24 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 89 G 7.66 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 90 E 8.16 3.93 0.00 1.92 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 2.23 2.26 0.00 91 M 8.03 4.16 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 92 L 7.34 3.93 0.00 1.78 1.75 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.62 4.49 0.00 1.72 1.70 0.96 0.28 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 94 G 7.71 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 0.00 0.00 0.00 0.00 95 S 7.99 4.60 0.00 3.80 3.79 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 96 L 7.77 4.47 0.00 1.54 1.55 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.48 3.64 0.00 1.75 1.67 0.92 0.99 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 98 R 7.88 3.94 0.00 1.80 1.89 0.00 3.33 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 99 T 8.56 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 1.22 0.00 0.00 100 V 7.89 4.62 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 1.02 0.00 0.00 0.96 0.00 0.00 101 G 8.70 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 0.00 102 L 9.82 4.93 0.00 1.82 1.66 0.93 0.67 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 0.00 103 R 8.26 5.09 0.00 1.89 1.95 0.00 3.01 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 104 F 8.92 5.70 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 9.11 5.11 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 0.00 106 V 8.92 4.98 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 1.01 0.00 0.00 1.18 0.00 0.00 107 L 8.72 5.20 0.00 1.68 1.37 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 108 R 9.71 5.17 0.00 1.98 1.85 0.00 3.52 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 109 G 8.09 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 0.00 0.00 0.00 110 N 7.52 5.51 0.00 3.19 2.64 0.00 0.00 6.94 7.71 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 0.00 111 P 0.00 4.80 0.00 1.70 2.03 0.00 3.51 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 2.10 0.00 112 Y 7.66 4.21 0.00 3.01 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 0.00 113 E 8.36 4.21 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 114 S 7.58 4.38 0.00 3.91 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 0.00 115 E 8.69 3.88 0.00 1.99 2.33 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 2.42 2.43 0.00 116 A 8.17 4.52 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.42 4.18 0.00 2.19 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 2.43 2.50 0.00 118 G 7.55 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 0.00 119 D 8.14 5.13 0.00 2.58 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 0.00 120 W 9.79 5.05 0.00 3.43 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 0.00 121 I 9.22 5.21 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.70 1.08 0.00 0.00 122 A 9.32 5.08 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 0.00 123 V 9.42 4.93 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 0.93 0.00 0.00 0.94 0.00 0.00 124 S 9.01 4.65 0.00 3.85 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 0.00 125 L 8.83 5.34 0.00 1.55 1.63 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.69 5.53 0.00 3.34 2.98 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 0.00 127 G 8.45 4.35 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 0.00 128 T 8.09 5.20 4.10 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 1.15 0.00 0.00 129 I 8.84 4.46 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.94 0.00 0.00 130 G 8.53 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.72 4.79 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 0.00 132 P 0.00 4.44 0.00 2.19 2.21 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 133 I 6.88 4.00 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.81 0.91 0.00 0.00 134 K 8.46 4.10 0.00 1.78 1.66 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.43 7.81 135 G 8.71 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.45 4.78 0.00 1.90 1.45 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.77 5.29 0.00 1.81 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 2.18 2.28 0.00 138 H 9.35 5.00 0.00 3.02 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.97 4.94 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 140 T 8.69 4.94 4.32 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 1.31 0.00 0.00 141 F 8.72 5.36 0.00 3.04 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.42 4.55 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 0.00 0.00 0.00 143 V 8.01 4.75 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 0.75 0.00 0.00 0.51 0.00 0.00 144 G 10.12 4.72 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 0.00 0.00 0.00 145 I 8.45 5.30 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 1.13 0.00 0.00 146 N 9.50 5.17 0.00 2.75 2.77 0.00 0.00 6.35 7.91 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 0.00 147 H 8.32 4.14 0.00 2.39 2.82 0.00 5.81 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.81 3.91 1.78 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 1.16 0.63 0.90 0.00 0.00