NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 M 4.4800 8.2893 120.3300 54.6724 33.7136 175.0594 22 S 4.1901 8.3400 114.4207 57.2138 64.5984 173.7740 23 S 4.2728 8.9209 118.7702 61.6813 63.0647 177.7218 24 L 3.3623 7.9123 123.4317 57.6512 41.8558 178.4333 25 E 3.7673 8.1655 119.3796 59.0348 29.3706 178.5845 26 K 3.9023 8.3037 119.1827 59.4967 32.2694 178.3968 27 R 4.0398 7.7218 118.1929 59.1261 30.0967 178.1584 28 L 3.8045 7.9408 118.5597 57.1742 41.9734 178.8388 29 G 3.8481 8.0723 106.9047 45.3541 0.0000 173.2877 30 K 4.4969 8.4690 117.6707 55.9530 33.7615 175.9904 31 N 4.5800 8.1858 117.9833 53.1175 39.1384 174.6856 32 E 4.7509 8.8981 121.2969 56.0913 31.6278 174.2460 33 Y 5.4061 9.3022 121.7409 56.0557 41.6722 174.3581 34 F 4.8665 7.9534 123.0964 55.7355 42.5455 173.8235 35 I 4.5787 8.5710 122.7389 59.8789 41.8342 173.3671 36 I 5.2530 8.0642 126.2104 60.3222 41.1732 174.3231 37 T 4.6873 8.9144 118.7264 61.2555 70.6026 174.3853 38 K 4.1597 8.7825 125.3005 59.0012 33.4514 176.8735 39 S 4.8014 7.4622 108.6992 57.8188 65.8249 175.7652 40 S 4.8298 8.9853 123.1756 55.8132 67.7881 171.9309 41 P 4.6034 0.0000 0.0000 63.2908 31.7209 177.4588 42 V 3.3609 8.6885 123.5573 66.2159 31.1204 178.2599 43 R 3.7480 7.9377 117.5651 59.5540 29.7914 178.1910 44 A 3.9475 7.7078 119.8055 54.8806 18.3894 179.5044 45 I 3.5367 7.4954 118.1967 64.5896 37.1104 178.6489 46 L 3.9054 8.1418 120.1794 57.6255 41.3514 179.1909 47 N 4.2540 8.3673 117.2761 56.9051 38.8808 176.8143 48 D 4.3823 8.2992 120.3481 57.0066 40.8227 178.4271 49 F 3.8087 8.5807 121.4164 61.3076 39.3274 177.1184 50 A 3.7323 8.2937 120.1348 55.0365 18.2101 179.4975 51 A 3.8398 8.1311 119.3852 55.1129 18.1795 179.1683 52 N 4.0716 8.0770 115.1260 56.5028 38.9170 175.6339 53 Y 4.2372 6.9578 114.5348 56.4697 38.6381 175.4709 54 S 3.6646 7.7239 114.7126 60.0769 60.9191 172.4582 55 I 4.5118 7.7356 120.1784 58.6277 39.4283 175.1031 56 P 4.5316 0.0000 0.0000 62.7931 32.4679 175.7984 57 V 4.9327 8.1691 121.7879 59.9351 34.6917 174.2168 58 F 4.8205 9.1455 125.7834 56.3801 42.2866 173.8513 59 I 4.6759 7.0290 125.4638 58.8864 39.9729 175.5349 60 S 4.1662 8.3008 122.8042 58.0835 63.5692 175.9595 61 S 4.1927 8.7402 115.8681 61.1228 63.0400 175.7676 62 S 4.2568 7.5788 115.2674 60.7784 62.7552 175.2487 63 V 3.9651 7.3363 121.6760 61.4144 29.3723 174.6962 64 N 4.8393 7.9673 116.3984 51.9574 38.0600 175.2511 65 D 4.7382 7.7656 119.4574 54.7805 42.5567 174.4020 66 D 5.4036 8.5659 118.8070 52.6780 43.7113 175.8099 67 F 5.1014 9.1181 123.4124 55.6392 42.6894 173.8766 68 S 4.6431 8.0949 118.7975 57.5998 65.2637 172.5295 69 G 3.9507 9.2056 111.5388 43.8562 0.0000 171.7692 70 E 5.2859 8.5561 121.9614 54.5993 32.9842 175.7917 71 I 4.8206 8.8067 127.0191 59.5406 40.2787 174.6713 72 K 3.8907 8.2746 123.0991 56.5266 35.6577 176.1732 73 N 5.1205 5.8594 118.3838 54.0207 36.9514 173.9605 74 E 4.2794 7.1684 119.1987 54.9602 30.5005 176.1108 75 K 4.3396 8.5464 124.9140 55.6135 34.1887 175.6483 76 P 4.3564 0.0000 0.0000 66.3852 31.1939 179.2104 77 V 3.5440 7.6543 111.9753 63.7719 31.4197 178.3405 78 K 3.9877 7.9345 119.0191 59.1232 32.0640 178.8016 79 V 3.4867 7.8789 118.9107 65.9545 31.3403 177.8552 80 L 3.6038 7.6682 120.0921 57.9294 41.8551 178.6846 81 E 4.1091 8.2224 117.6829 59.4264 29.4199 179.3227 82 K 4.0075 8.1444 119.4017 59.0437 32.2303 179.2973 83 L 4.1814 8.2822 119.7375 58.0142 41.5453 179.8103 84 S 4.3193 8.4194 115.2593 61.5386 62.9081 176.9071 85 K 4.1059 8.3801 121.4854 59.2396 31.5454 179.2217 86 L 3.8853 7.7139 119.8401 57.5427 42.1210 177.5646 87 Y 4.3910 7.8332 114.2087 57.0011 38.8643 174.7874 88 H 4.0956 7.8248 115.4304 57.2182 26.2395 173.9720 89 L 5.3535 8.4179 118.0600 53.4448 44.7957 177.9263 90 T 4.8533 9.0780 117.9573 61.5517 72.2940 173.2111 91 W 5.7147 8.4252 121.8708 55.2324 31.7703 174.4903 92 Y 4.9618 9.7717 121.8332 56.7049 41.7545 172.7314 93 Y 5.4958 9.1449 127.7153 54.5448 41.8632 175.3029 94 D 4.3783 8.0653 125.3256 52.9258 39.8354 177.0821 95 E 3.3191 6.0772 116.9705 57.5548 27.6622 173.7219 96 N 4.7673 7.8836 113.6285 54.4128 40.6715 173.8474 97 I 4.7643 8.2298 118.6160 59.1739 41.2600 174.1755 98 L 5.0002 8.9828 128.7168 54.6241 43.1354 174.7919 99 Y 5.2215 9.9121 125.7914 56.9321 39.9274 174.7975 100 I 4.9335 9.1635 125.9761 59.9488 39.7067 174.5385 101 Y 5.2702 9.1031 123.9800 55.5068 42.4924 175.3348 102 K 4.6139 9.3499 120.4704 56.5965 32.9535 178.8643 103 T 3.9761 8.8693 120.7320 66.8545 68.5187 175.8255 104 N 4.5584 8.1580 116.1385 54.4947 37.3191 175.1867 105 E 4.2851 8.3056 118.3948 57.1607 30.0700 176.7415 106 I 4.0966 7.6054 121.4188 61.4896 37.8811 175.4463 107 S 4.7576 8.8589 120.0454 56.9733 67.2275 172.4444 108 R 5.2021 8.4124 117.9310 54.6164 32.5411 175.8766 109 S 4.6239 8.9136 116.4801 56.9585 66.3794 172.4278 110 I 4.8689 8.3442 126.7844 59.7619 39.1513 174.8592 111 I 4.3962 8.5780 127.2257 59.9439 39.8438 174.8388 112 T 5.0721 8.2705 122.9184 59.5929 69.8744 172.0066 113 P 4.4006 0.0000 0.0000 62.6761 32.2845 176.9212 114 T 4.0444 8.9419 117.8948 64.9944 69.0068 175.7141 115 Y 4.5919 8.5755 116.7029 57.2131 39.9708 175.3552 116 L 4.8075 7.8158 121.0781 52.5940 44.7680 175.9631 117 D 4.5165 8.3820 125.3519 53.0623 41.6749 177.4455 118 I 3.6180 8.0662 121.1635 64.2961 37.9397 178.0125 119 D 4.2503 7.9504 119.4402 57.3674 40.5237 178.8182 120 S 3.7206 8.0559 115.4043 61.0187 62.7380 176.0670 121 L 3.9274 7.6507 123.1048 58.4025 41.6989 178.9276 122 L 3.8816 7.9158 118.7433 57.9075 41.3950 179.5944 123 K 3.9336 7.2411 117.7343 58.9099 32.0412 177.5515 124 Y 4.6884 6.8484 115.8567 60.0282 38.7911 177.4707 125 L 4.1855 8.2257 120.3149 57.8628 41.4660 179.6293 126 S 4.3377 8.4220 114.9396 60.8070 63.0289 174.4100 127 D 4.8389 7.9410 118.1631 53.1192 39.8740 177.3052 128 T 4.4763 6.8299 107.7167 60.4621 69.1830 171.1215 129 I 4.3597 7.5163 120.2375 58.6211 39.9356 172.6518 130 S 4.3560 8.1630 123.0381 58.8290 63.3331 174.3794 131 V 4.6040 8.4232 121.6003 62.4055 32.5257 176.0938 132 N 4.7914 8.1389 115.3041 53.4466 41.1255 175.1743 133 K 4.2213 7.7550 116.5506 55.9111 33.5594 177.2395 134 N 4.2536 8.6736 118.9145 56.3540 38.9890 175.9074 135 S 4.3331 7.9029 111.5899 60.0962 63.8311 173.8808 136 C 4.8241 7.8277 120.6001 55.7013 42.2306 171.4004 137 N 5.1660 9.7280 124.7335 51.2625 41.3664 172.8164 138 V 5.0400 8.6103 126.5314 61.1037 33.9600 174.7761 139 R 4.7619 8.6196 122.7883 54.4759 33.1730 174.4511 140 K 4.6363 8.6789 120.8542 56.6269 32.9053 176.2722 141 I 4.4453 7.7641 117.1616 59.2558 40.0336 175.8903 142 T 4.0050 8.5556 118.0066 66.7252 68.4420 176.0356 143 T 3.8103 7.9452 116.4001 63.7430 68.7999 173.3491 144 F 4.1248 9.0376 127.7374 60.1783 39.5894 174.2242 145 N 3.8136 8.4594 124.7443 54.6039 37.2801 173.1513 146 S 4.9928 7.4961 110.9467 56.6423 67.8667 174.1616 147 I 4.9292 8.6055 115.6114 59.0876 41.4537 173.4636 148 E 4.9241 9.0872 124.6699 54.5241 32.0718 174.5264 149 V 4.6571 8.7831 127.5513 61.2957 33.6889 174.1818 150 R 4.9123 8.8868 129.0198 55.0790 32.7099 174.8325 151 G 3.8808 8.0693 112.5422 46.3402 0.0000 172.5769 152 V 3.8904 7.8480 113.5471 59.9946 32.3139 175.9482 153 P 3.9853 0.0000 0.0000 65.7978 31.0254 178.6060 154 E 3.6260 7.3484 117.8761 59.0537 29.3487 177.9618 155 C 3.7155 7.2165 117.8692 59.6183 44.8817 175.4096 156 I 3.5609 7.3329 121.1303 64.3492 36.7012 178.6572 157 K 3.9174 8.1888 119.5468 59.5764 31.8329 178.8863 158 Y 4.1361 8.0198 119.7755 60.8373 38.7775 178.0299 159 I 3.5154 7.9537 120.8283 64.3432 37.1586 178.6388 160 T 3.8136 7.9896 116.7474 66.6691 68.3188 176.9269 161 S 4.0754 8.0143 116.9774 61.5896 62.7771 176.7806 162 L 3.8293 7.7171 121.6346 57.8591 41.2999 179.8308 163 S 4.0892 8.0198 115.0019 61.5488 62.7706 176.5566 164 E 3.9702 8.2348 121.2485 59.5693 29.2406 179.6826 165 S 4.1155 7.9777 115.0322 61.6509 62.9414 176.7650 166 L 4.0048 8.1968 121.9084 57.7268 41.2983 179.1247 167 D 4.4189 8.2254 118.2009 57.0226 41.0788 178.1815 168 K 3.9348 8.1315 120.2868 59.2548 32.1611 178.5315 169 E 3.8338 8.3253 119.5027 59.2420 29.4210 178.5450 170 A 4.1207 7.8634 119.4833 55.3162 18.4289 179.0970 171 Q 3.4480 7.8709 117.3677 58.8855 29.0064 177.9262 172 S 4.1148 7.4661 113.5704 61.0737 62.5254 173.7731 173 K 4.1002 7.4415 124.4138 56.5853 31.9448 176.0862 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 21 M 8.29 4.48 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 22 S 8.34 4.19 0.00 4.26 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 23 S 8.92 4.27 0.00 4.36 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 24 L 7.91 3.36 0.00 1.58 1.51 -0.13 0.02 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 25 E 8.17 3.77 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 26 K 8.30 3.90 0.00 1.85 2.05 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.45 7.81 27 R 7.72 4.04 0.00 1.91 1.86 0.00 3.41 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 28 L 7.94 3.80 0.00 1.50 1.19 0.64 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.07 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 30 K 8.47 4.50 0.00 1.74 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.41 7.81 31 N 8.19 4.58 0.00 2.94 2.94 0.00 0.00 7.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.90 4.75 0.00 2.12 2.21 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 2.52 2.67 0.00 33 Y 9.30 5.41 0.00 3.37 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 34 F 7.95 4.87 0.00 2.79 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.57 4.58 1.47 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 1.21 1.41 0.92 0.00 0.00 36 I 8.06 5.25 1.91 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 1.28 0.81 0.96 0.00 0.00 37 T 8.91 4.69 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 1.47 0.00 0.00 38 K 8.78 4.16 0.00 1.92 1.94 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.44 7.81 39 S 7.46 4.80 0.00 3.84 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 40 S 8.99 4.83 0.00 3.75 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 41 P 0.00 4.60 0.00 2.02 1.95 0.00 3.61 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 2.10 2.09 0.00 42 V 8.69 3.36 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.21 0.00 0.00 43 R 7.94 3.75 0.00 1.80 1.84 0.00 3.16 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 44 A 7.71 3.95 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 I 7.50 3.54 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.02 0.55 0.00 0.00 46 L 8.14 3.91 0.00 1.72 1.66 0.83 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.37 4.25 0.00 2.78 2.77 0.00 0.00 7.20 9.28 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 48 D 8.30 4.38 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.58 3.81 0.00 2.80 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 50 A 8.29 3.73 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 51 A 8.13 3.84 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 52 N 8.08 4.07 0.00 2.79 2.66 0.00 0.00 7.18 8.20 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 53 Y 6.96 4.24 0.00 2.61 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 54 S 7.72 3.66 0.00 4.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.74 4.51 1.75 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.63 0.82 0.00 0.00 56 P 0.00 4.53 0.00 2.20 1.95 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 57 V 8.17 4.93 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 0.65 0.00 0.00 0.93 0.00 0.00 58 F 9.15 4.82 0.00 2.85 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 59 I 7.03 4.68 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.72 0.00 0.00 60 S 8.30 4.17 0.00 4.05 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 61 S 8.74 4.19 0.00 4.01 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 62 S 7.58 4.26 0.00 4.16 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.34 3.97 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 0.92 0.00 0.00 64 N 7.97 4.84 0.00 2.83 2.85 0.00 0.00 6.38 8.06 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 65 D 7.77 4.74 0.00 2.26 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 66 D 8.57 5.40 0.00 2.58 2.60 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 67 F 9.12 5.10 0.00 3.11 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 68 S 8.09 4.64 0.00 3.89 3.55 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 69 G 9.21 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 70 E 8.56 5.29 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.48 0.00 71 I 8.81 4.82 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.99 0.00 0.00 72 K 8.27 3.89 0.00 1.69 1.80 0.00 1.71 0.00 0.00 2.06 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.40 7.81 73 N 5.86 5.12 0.00 3.03 3.01 0.00 0.00 6.97 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 74 E 7.17 4.28 0.00 1.99 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 2.38 2.37 0.00 75 K 8.55 4.34 0.00 1.84 1.68 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.49 7.81 76 P 0.00 4.36 0.00 1.72 1.25 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.72 0.00 77 V 7.65 3.54 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 0.69 0.00 0.00 0.96 0.00 0.00 78 K 7.93 3.99 0.00 1.82 1.99 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.49 7.81 79 V 7.88 3.49 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 0.45 0.00 0.00 1.11 0.00 0.00 80 L 7.67 3.60 0.00 1.45 1.61 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.22 4.11 0.00 2.36 2.45 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 2.48 2.39 0.00 82 K 8.14 4.01 0.00 1.87 1.89 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.62 7.81 83 L 8.28 4.18 0.00 1.68 1.82 0.63 1.05 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 84 S 8.42 4.32 0.00 4.18 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.38 4.11 0.00 1.85 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.58 7.81 86 L 7.71 3.89 0.00 1.41 1.23 0.71 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.83 4.39 0.00 3.24 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.82 4.10 0.00 3.59 3.44 0.00 5.59 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 89 L 8.42 5.35 0.00 1.62 1.82 1.01 0.91 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 90 T 9.08 4.85 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 1.18 0.00 0.00 91 W 8.43 5.71 0.00 3.64 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 92 Y 9.77 4.96 0.00 3.18 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 93 Y 9.14 5.50 0.00 3.15 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.07 4.38 0.00 2.50 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 0.00 0.00 0.00 0.00 95 E 6.08 3.32 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 96 N 7.88 4.77 0.00 2.55 2.90 0.00 0.00 6.82 7.94 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 97 I 8.23 4.76 1.52 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.00 0.21 0.00 0.00 98 L 8.98 5.00 0.00 1.74 1.69 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 9.91 5.22 0.00 3.44 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 0.00 100 I 9.16 4.93 1.85 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 1.40 0.84 1.01 0.00 0.00 101 Y 9.10 5.27 0.00 2.96 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 9.35 4.61 0.00 2.02 1.83 0.00 1.80 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.72 7.81 103 T 8.87 3.98 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 104 N 8.16 4.56 0.00 2.83 2.97 0.00 0.00 6.03 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.31 4.29 0.00 2.12 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 2.40 2.45 0.00 106 I 7.61 4.10 1.95 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 1.21 0.49 0.93 0.00 0.00 107 S 8.86 4.76 0.00 3.80 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 0.00 108 R 8.41 5.20 0.00 1.65 1.82 0.00 3.16 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 109 S 8.91 4.62 0.00 3.80 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 0.00 110 I 8.34 4.87 1.84 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 1.32 0.71 0.93 0.00 0.00 111 I 8.58 4.40 1.82 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 1.18 0.77 0.86 0.00 0.00 112 T 8.27 5.07 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 1.17 0.00 0.00 113 P 0.00 4.40 0.00 2.18 1.96 0.00 3.82 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 1.96 2.05 0.00 114 T 8.94 4.04 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 0.49 0.00 0.00 115 Y 8.58 4.59 0.00 3.18 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 0.00 116 L 7.82 4.81 0.00 1.62 1.54 1.06 1.35 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 0.00 117 D 8.38 4.52 0.00 2.86 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 0.00 118 I 8.07 3.62 1.63 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 1.71 1.36 0.81 0.00 0.00 119 D 7.95 4.25 0.00 2.85 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 0.00 120 S 8.06 3.72 0.00 3.99 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.65 3.93 0.00 1.73 1.81 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.92 3.88 0.00 1.77 1.65 0.86 1.09 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 0.00 123 K 7.24 3.93 0.00 1.50 1.56 0.00 1.72 0.00 0.00 1.56 0.00 0.00 3.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.44 7.81 124 Y 6.85 4.69 0.00 2.90 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 0.00 125 L 8.23 4.19 0.00 1.68 1.73 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.42 4.34 0.00 3.93 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 0.00 127 D 7.94 4.84 0.00 2.80 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 0.00 128 T 6.83 4.48 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 1.35 0.00 0.00 129 I 7.52 4.36 2.08 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.77 1.15 0.00 0.00 130 S 8.16 4.36 0.00 3.95 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 0.00 131 V 8.42 4.60 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.97 0.00 0.00 132 N 8.14 4.79 0.00 2.71 2.79 0.00 0.00 7.08 7.61 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 0.00 133 K 7.75 4.22 0.00 1.84 1.87 0.00 1.45 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.45 7.81 134 N 8.67 4.25 0.00 2.64 2.83 0.00 0.00 7.02 7.63 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 0.00 135 S 7.90 4.33 0.00 4.16 4.08 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 0.00 136 C 7.83 4.82 0.00 3.13 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 0.00 137 N 9.73 5.17 0.00 2.92 2.69 0.00 0.00 6.47 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.61 5.04 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 0.84 0.00 0.00 0.93 0.00 0.00 139 R 8.62 4.76 0.00 1.87 1.93 0.00 2.81 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 140 K 8.68 4.64 0.00 1.64 1.75 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.41 7.81 141 I 7.76 4.45 1.86 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 1.20 0.63 0.89 0.00 0.00 142 T 8.56 4.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 143 T 7.95 3.81 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 1.24 0.00 0.00 144 F 9.04 4.12 0.00 2.85 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 0.00 145 N 8.46 3.81 0.00 1.44 2.04 0.00 0.00 6.96 7.63 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 0.00 146 S 7.50 4.99 0.00 3.86 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 8.61 4.93 1.90 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 1.18 0.66 0.86 0.00 0.00 148 E 9.09 4.92 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 149 V 8.78 4.66 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 0.82 0.00 0.00 0.89 0.00 0.00 150 R 8.89 4.91 0.00 1.81 1.70 0.00 3.19 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 151 G 8.07 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 0.00 152 V 7.85 3.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.70 0.00 0.00 153 P 0.00 3.99 0.00 1.92 1.98 0.00 2.20 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 154 E 7.35 3.63 0.00 1.60 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 1.47 1.65 0.00 155 C 7.22 3.72 0.00 2.22 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 0.00 156 I 7.33 3.56 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.28 0.84 0.00 0.00 157 K 8.19 3.92 0.00 1.67 1.83 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.53 7.81 158 Y 8.02 4.14 0.00 3.01 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 0.00 159 I 7.95 3.52 1.82 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 1.75 1.03 0.86 0.00 0.00 160 T 7.99 3.81 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 161 S 8.01 4.08 0.00 3.80 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 0.00 162 L 7.72 3.83 0.00 1.55 1.53 0.50 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 163 S 8.02 4.09 0.00 3.99 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 0.00 164 E 8.23 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 2.32 2.50 0.00 165 S 7.98 4.12 0.00 3.97 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 0.00 166 L 8.20 4.00 0.00 1.83 1.80 1.03 1.06 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 0.00 167 D 8.23 4.42 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 K 8.13 3.93 0.00 1.95 1.89 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.40 7.81 169 E 8.33 3.83 0.00 2.04 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 2.26 2.28 0.00 170 A 7.86 4.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 7.87 3.45 0.00 1.31 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.89 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 172 S 7.47 4.11 0.00 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 0.00 173 K 7.44 4.10 0.00 1.77 1.67 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.43 7.81