NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3092 8.3049 118.1942 53.4798 33.3237 176.4076 2 L 3.3603 7.6372 119.3871 55.2484 40.8202 170.0413 3 T 4.2013 8.1043 112.4951 62.8429 75.1545 173.4586 4 D 4.7549 7.3524 128.1008 50.1205 40.7347 174.0692 5 P 4.5179 0.0000 0.0000 65.3088 31.3926 177.6855 6 I 3.7780 7.2270 118.3689 63.3490 36.4259 177.5317 7 A 3.9332 10.6000 121.6859 56.3697 18.8639 179.6899 8 D 4.3385 8.5287 116.5839 57.9164 41.5347 178.4115 9 M 4.0683 8.3430 119.3652 58.1863 32.3519 177.8119 10 L 4.1269 8.6024 119.8026 58.1975 41.7783 180.1769 11 T 3.8591 9.5685 115.5980 66.4718 68.2814 177.0195 12 R 3.8454 7.6768 119.4095 59.4124 30.2915 178.8628 13 I 3.6867 8.1672 119.8411 64.7758 36.9341 178.3855 14 R 3.8410 7.6577 117.7247 58.9820 29.6277 178.0165 15 N 4.4542 7.8970 115.8560 56.1188 38.9440 177.1766 16 A 4.0256 8.7913 123.6103 55.3496 18.7990 178.3767 17 T 4.7165 8.3779 113.2948 59.9190 68.8554 177.6716 18 R 3.3133 8.9027 113.2942 57.8833 30.2218 177.2499 19 V 3.3315 7.1507 109.3331 62.3045 32.6310 175.2870 20 Y 3.1576 7.4954 116.0995 58.2878 34.2188 168.3872 21 K 4.4589 8.3153 121.5615 54.2229 35.2916 175.6181 22 E 3.8630 8.7734 121.1212 59.1991 28.9286 177.1810 23 S 4.9227 8.4000 109.4450 57.3152 67.8694 173.8657 24 T 4.5779 8.2064 114.9505 60.9369 70.7456 172.9329 25 D 5.6202 8.4779 121.3051 53.6245 42.8826 175.9162 26 V 4.0429 8.1950 123.1601 60.5855 33.2449 174.0448 27 P 4.5775 0.0000 0.0000 62.1402 31.9065 176.1183 28 A 4.1508 8.3484 125.6593 51.6397 19.6026 176.5337 29 S 5.3517 8.7422 122.5272 57.5005 64.0590 176.0946 30 R 3.6689 7.8287 127.7089 60.0575 29.0611 177.3504 31 F 3.8758 8.3111 119.7095 61.4527 39.5346 177.9981 32 K 3.9200 8.1778 117.9896 59.4907 31.8279 178.5496 33 E 3.5057 8.2478 118.9022 59.8505 29.5443 179.4462 34 E 3.8238 7.8700 117.5873 59.6929 29.2903 179.5445 35 I 3.5005 7.0879 118.4615 64.6541 36.9075 177.9919 36 L 3.7216 7.8678 118.5604 59.0452 41.4124 179.5973 37 R 3.5595 8.9111 115.2572 59.8396 29.7056 178.1630 38 I 3.7470 7.9295 118.3712 65.3238 37.4515 177.3695 39 L 3.9011 9.6767 118.9821 59.3245 41.6439 179.0046 40 A 4.1164 9.6153 120.4383 55.3669 18.6262 179.5401 41 R 3.9265 8.4446 115.8933 58.6228 30.1845 176.9652 42 E 4.6731 7.6466 116.0410 56.3420 30.8510 176.0645 43 G 3.7876 8.0401 105.3507 46.6017 0.0000 175.7051 44 F 4.7713 7.6387 120.7266 59.0064 39.5685 176.5767 45 I 4.6717 7.5758 110.6505 59.1699 40.2087 174.7207 46 K 4.1298 8.8536 124.3610 57.7049 32.1090 177.2281 47 G 4.0957 7.3069 103.2088 46.2847 0.0000 170.0893 48 Y 6.0046 8.2207 116.8872 55.3340 41.6612 174.0021 49 E 4.9052 8.7034 115.9487 55.7007 31.4746 176.7474 50 R 4.4328 8.9294 122.3144 57.5288 31.2426 176.3775 51 V 4.2777 7.8502 111.3275 61.9615 34.9081 173.5430 52 D 4.7627 8.4155 119.4609 55.0347 41.4838 175.6258 53 V 4.1503 9.5205 128.9031 61.1908 30.4126 174.7794 54 D 4.3614 8.3825 128.5966 54.8491 36.9862 176.0328 55 G 3.8615 8.3406 104.0034 45.8298 0.0000 173.8858 56 K 4.2538 7.4900 120.0452 53.8530 31.9345 173.9115 57 P 5.1288 0.0000 0.0000 61.8252 30.4459 176.1839 58 Y 4.6458 8.0738 133.1672 58.5406 38.3780 176.1981 59 L 4.4022 9.0094 126.4302 55.0881 46.2982 175.7857 60 R 4.3132 9.1569 125.5311 55.5815 29.5907 174.5553 61 V 4.3820 8.3581 122.7796 61.8915 32.1199 174.2919 62 Y 4.5284 10.0753 127.1814 57.9272 39.1570 177.0004 63 L 4.6624 8.2527 123.1598 56.8230 44.6849 175.9411 64 K 4.8513 7.4566 124.5033 57.8482 34.8126 174.5311 65 Y 4.6660 8.1003 125.9223 56.0623 41.7166 174.9307 66 G 4.2030 8.7124 107.5383 44.4200 0.0000 171.0451 67 P 4.7138 0.0000 0.0000 61.7431 33.8862 175.7364 68 R 4.4147 8.0912 118.8286 57.1219 30.4689 174.5199 69 R 4.5961 7.9510 114.8489 55.9737 34.1016 173.7552 70 Q 4.5645 8.5451 117.1212 55.3140 31.7849 176.8750 71 G 3.8322 8.5487 107.2860 43.8234 0.0000 171.3321 72 P 4.2380 0.0000 0.0000 63.4912 32.2913 175.7215 73 D 4.3053 8.5210 118.6663 55.0616 39.4514 173.1219 74 P 4.5807 0.0000 0.0000 61.9453 30.9189 177.2169 75 R 4.3482 7.4499 116.9633 54.4851 32.1128 174.7940 76 P 4.7764 0.0000 0.0000 61.3781 32.0079 175.1867 77 E 4.1731 8.8567 124.2991 56.0278 30.4700 175.9264 78 Q 4.0983 8.9668 126.2414 56.9149 29.2856 177.3554 79 V 3.9945 8.3810 119.8100 64.7687 32.6478 177.1357 80 I 4.3391 7.0632 120.6702 59.3868 35.5540 175.0514 81 H 3.9321 7.9642 119.1895 58.3858 29.4856 175.3323 82 H 4.0511 7.4443 115.5732 55.0806 33.8574 172.9207 83 I 4.3720 8.0673 125.6695 59.5914 40.6253 173.6568 84 R 4.6092 8.4358 130.0761 54.1776 32.7741 175.1842 85 R 3.9143 8.6609 125.9644 57.8019 30.8658 174.7420 86 I 4.0079 8.6407 121.8306 61.5141 39.4533 176.1277 87 S 4.1260 6.2418 128.3260 59.2376 62.5351 173.8250 88 K 4.6017 8.5079 128.0142 54.2561 33.0846 176.7224 89 P 4.2537 0.0000 0.0000 65.1886 31.4700 178.0689 90 G 3.6043 7.6675 107.5991 47.4802 0.0000 174.3390 91 R 4.3806 7.6323 126.7145 53.8840 29.9403 174.5121 92 R 4.9852 8.2878 123.6502 54.8589 31.3348 176.2908 93 V 4.4880 7.8693 121.6325 61.2842 34.2416 173.7152 94 Y 5.1595 8.5926 123.8322 56.2522 41.6814 175.0883 95 V 4.5183 8.7053 116.6233 59.6753 35.0513 175.6257 96 G 4.0184 9.9114 115.4563 46.4706 0.0000 175.8779 97 V 3.3218 8.7796 120.3077 62.7324 34.4134 176.4044 98 K 4.1077 8.0365 122.9667 58.6557 32.5554 178.2649 99 E 4.1361 7.8634 117.6028 58.6078 29.6787 177.5390 100 I 3.6663 7.7281 119.2117 61.2991 37.6492 173.4327 101 P 4.7598 0.0000 0.0000 61.2478 33.4622 174.5975 102 R 4.3464 8.1103 117.5822 54.2081 31.0229 176.6785 103 V 3.5240 8.3082 123.8468 63.0209 31.8694 175.7712 104 R 3.5986 8.8932 130.3304 57.7888 27.8820 175.9080 105 R 3.8963 8.6396 107.9650 57.4691 27.9412 178.4838 106 G 3.9961 8.3440 105.7656 45.5541 0.0000 175.3204 107 L 4.0613 7.8090 121.2467 57.3195 42.6871 176.7885 108 G 4.4984 8.6147 108.0421 45.2353 0.0000 172.8355 109 I 5.1591 9.0273 119.5524 58.2750 42.5869 175.9680 110 A 5.0305 8.5360 126.7906 50.1352 21.0108 175.3127 111 I 4.4704 8.8754 122.5547 61.9680 38.6822 175.3510 112 L 4.7039 7.9232 123.8181 55.7702 44.2816 173.3015 113 S 4.6997 8.0564 115.6588 57.5605 64.6910 172.2459 114 T 4.4039 8.4898 114.5194 61.8122 69.1032 172.9943 115 S 4.2274 8.8323 121.3122 60.7087 63.2237 175.1604 116 K 4.4123 7.5524 119.2818 54.7721 34.7108 175.1883 117 G 3.9454 8.8591 115.3438 44.6903 0.0000 172.8047 118 V 4.3233 8.1873 119.1870 60.7251 33.2206 174.1859 119 L 5.0315 8.1637 130.2211 55.0172 43.9261 175.4158 120 T 5.5413 9.2341 108.4647 59.5364 71.1220 175.3526 121 D 4.4839 8.8747 121.6142 55.8472 39.3483 178.4181 122 R 4.4402 8.2855 117.2193 57.0075 32.9936 177.8919 123 E 3.9683 8.3087 117.3242 59.4785 29.2726 179.2567 124 A 3.8554 7.9237 120.3266 54.9635 18.0516 179.0845 125 R 4.1761 7.9481 116.8344 59.8060 29.8984 177.8991 126 K 3.8005 9.5971 118.1702 59.9352 32.2475 177.8084 127 L 4.2580 8.5376 120.9696 55.5786 42.4600 173.7943 128 G 3.7914 9.7530 113.5361 44.3647 0.0000 172.5430 129 V 4.3341 7.7492 121.8231 58.3998 40.1214 175.0058 130 G 4.0793 8.9601 109.4097 43.2212 0.0000 172.9867 131 G 4.2223 7.9585 105.8193 44.9222 0.0000 170.5637 132 E 4.3493 8.0114 120.6524 55.7913 30.7722 176.8134 133 L 4.2957 8.4030 130.1620 54.7367 41.0034 176.7814 134 I 3.9809 8.6759 125.3566 61.5631 37.9289 175.3976 135 C 5.2835 7.8076 114.2117 58.1123 33.2755 171.3147 136 E 5.2088 8.5557 115.1156 54.9095 32.6171 174.7278 137 V 4.7427 8.8788 119.7087 60.9798 36.2723 175.0445 138 W 4.2881 8.1183 119.2299 57.4960 28.6939 174.3151 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 8.30 4.31 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 2 L 7.64 3.36 0.00 1.86 1.73 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.10 4.20 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 1.20 0.00 0.00 4 D 7.35 4.75 0.00 2.73 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 5 P 0.00 4.52 0.00 2.23 2.12 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 6 I 7.23 3.78 2.35 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 1.70 0.61 0.95 0.00 0.00 7 A 10.60 3.93 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 8 D 8.53 4.34 0.00 2.77 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 9 M 8.34 4.07 0.00 2.30 2.02 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 2.57 2.54 0.00 10 L 8.60 4.13 0.00 1.62 1.66 0.89 0.76 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 11 T 9.57 3.86 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 12 R 7.68 3.85 0.00 2.02 1.95 0.00 3.16 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 1.64 1.97 0.00 13 I 8.17 3.69 1.78 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 1.54 1.34 0.82 0.00 0.00 14 R 7.66 3.84 0.00 2.02 2.09 0.00 3.20 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 15 N 7.90 4.45 0.00 2.91 2.80 0.00 0.00 6.71 8.89 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 16 A 8.79 4.03 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 17 T 8.38 4.72 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 1.13 0.00 0.00 18 R 8.90 3.31 0.00 1.94 1.78 0.00 3.16 0.00 0.00 3.24 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 19 V 7.15 3.33 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 0.56 0.00 0.00 0.97 0.00 0.00 20 Y 7.50 3.16 0.00 2.91 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 0.00 0.00 0.00 0.00 21 K 8.32 4.46 0.00 1.75 1.97 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.39 7.81 22 E 8.77 3.86 0.00 2.13 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 2.46 2.50 0.00 23 S 8.40 4.92 0.00 3.76 3.83 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 24 T 8.21 4.58 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 1.17 0.00 0.00 25 D 8.48 5.62 0.00 2.37 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.19 4.04 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 0.93 0.00 0.00 0.96 0.00 0.00 27 P 0.00 4.58 0.00 1.88 1.66 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.35 0.00 28 A 8.35 4.15 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 29 S 8.74 5.35 0.00 3.98 3.86 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 30 R 7.83 3.67 0.00 1.94 1.91 0.00 3.30 0.00 0.00 3.29 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 31 F 8.31 3.88 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 32 K 8.18 3.92 0.00 2.13 1.79 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.54 7.81 33 E 8.25 3.51 0.00 1.91 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 0.00 2.19 2.64 0.00 34 E 7.87 3.82 0.00 1.55 1.71 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 2.35 2.19 0.00 35 I 7.09 3.50 1.74 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.00 0.81 0.00 0.00 36 L 7.87 3.72 0.00 1.45 1.45 0.65 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.91 3.56 0.00 1.72 1.93 0.00 3.13 0.00 0.00 3.15 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 38 I 7.93 3.75 1.95 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 1.37 1.12 0.93 0.00 0.00 39 L 9.68 3.90 0.00 1.78 1.75 0.72 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.62 4.12 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 41 R 8.44 3.93 0.00 1.82 2.32 0.00 3.25 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 42 E 7.65 4.67 0.00 2.06 1.75 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 2.37 2.47 0.00 43 G 8.04 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 0.00 0.00 0.00 44 F 7.64 4.77 0.00 3.37 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 45 I 7.58 4.67 2.33 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.42 0.89 0.00 0.00 46 K 8.85 4.13 0.00 1.89 1.94 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.69 7.81 47 G 7.31 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 0.00 0.00 0.00 0.00 48 Y 8.22 6.00 0.00 2.96 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 49 E 8.70 4.91 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.22 0.00 50 R 8.93 4.43 0.00 1.77 2.00 0.00 3.24 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 51 V 7.85 4.28 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 0.82 0.00 0.00 1.09 0.00 0.00 52 D 8.42 4.76 0.00 2.61 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 53 V 9.52 4.15 2.40 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 0.81 0.00 0.00 0.94 0.00 0.00 54 D 8.38 4.36 0.00 3.01 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 55 G 8.34 3.86 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 0.00 0.00 0.00 56 K 7.49 4.25 0.00 2.27 1.67 0.00 1.98 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.56 7.81 57 P 0.00 5.13 0.00 2.20 2.21 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 58 Y 8.07 4.65 0.00 2.96 3.02 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 59 L 9.01 4.40 0.00 1.74 1.60 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.16 4.31 0.00 1.84 1.21 0.00 2.90 0.00 0.00 3.15 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 61 V 8.36 4.38 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 0.95 0.00 0.00 0.93 0.00 0.00 62 Y 10.08 4.53 0.00 3.25 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.25 4.66 0.00 2.11 1.43 0.69 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.46 4.85 0.00 1.90 1.89 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.28 7.81 65 Y 8.10 4.67 0.00 2.93 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 66 G 8.71 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 0.00 0.00 0.00 67 P 0.00 4.71 0.00 2.12 2.23 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 68 R 8.09 4.41 0.00 1.73 1.90 0.00 3.33 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 69 R 7.95 4.60 0.00 1.77 1.79 0.00 3.24 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 70 Q 8.55 4.56 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 71 G 8.55 3.83 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 0.00 0.00 0.00 72 P 0.00 4.24 0.00 2.06 2.00 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 73 D 8.52 4.31 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.58 0.00 2.19 2.07 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 75 R 7.45 4.35 0.00 2.12 1.77 0.00 3.67 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 76 P 0.00 4.78 0.00 1.89 2.03 0.00 2.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.25 0.00 77 E 8.86 4.17 0.00 2.12 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 2.50 2.44 0.00 78 Q 8.97 4.10 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 2.63 2.41 0.00 79 V 8.38 3.99 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 0.99 0.00 0.00 0.95 0.00 0.00 80 I 7.06 4.34 1.67 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 1.07 0.70 0.58 0.00 0.00 81 H 7.96 3.93 0.00 2.56 3.16 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.44 4.05 0.00 2.14 1.31 0.00 5.74 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.07 4.37 1.58 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 1.06 0.74 0.72 0.00 0.00 84 R 8.44 4.61 0.00 1.86 1.86 0.00 3.18 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 85 R 8.66 3.91 0.00 1.84 1.80 0.00 3.26 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 86 I 8.64 4.01 2.21 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 1.06 0.89 0.00 0.00 87 S 6.24 4.13 0.00 3.75 3.92 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 88 K 8.51 4.60 0.00 1.87 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.50 7.81 89 P 0.00 4.25 0.00 2.16 2.17 0.00 3.74 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 1.98 1.95 0.00 90 G 7.67 3.60 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 0.00 91 R 7.63 4.38 0.00 1.84 1.83 0.00 3.18 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 92 R 8.29 4.99 0.00 2.14 1.85 0.00 3.66 0.00 0.00 3.94 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 93 V 7.87 4.49 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 0.99 0.00 0.00 0.90 0.00 0.00 94 Y 8.59 5.16 0.00 2.87 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 95 V 8.71 4.52 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 0.80 0.00 0.00 1.02 0.00 0.00 96 G 9.91 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 0.00 0.00 0.00 97 V 8.78 3.32 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 0.79 0.00 0.00 0.94 0.00 0.00 98 K 8.04 4.11 0.00 1.77 1.96 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.51 7.81 99 E 7.86 4.14 0.00 1.99 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 2.36 2.30 0.00 100 I 7.73 3.67 1.92 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 1.37 0.60 0.98 0.00 0.00 101 P 0.00 4.76 0.00 2.15 2.04 0.00 3.74 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 1.91 1.96 0.00 102 R 8.11 4.35 0.00 1.76 1.88 0.00 3.24 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 103 V 8.31 3.52 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 1.05 0.00 0.00 1.01 0.00 0.00 104 R 8.89 3.60 0.00 1.75 1.76 0.00 2.85 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 105 R 8.64 3.90 0.00 1.93 1.96 0.00 3.44 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 106 G 8.34 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 0.00 0.00 0.00 107 L 7.81 4.06 0.00 1.61 1.89 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.61 4.50 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 0.00 109 I 9.03 5.16 2.11 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.65 1.30 0.00 0.00 110 A 8.54 5.03 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 0.00 111 I 8.88 4.47 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 1.29 0.60 0.85 0.00 0.00 112 L 7.92 4.70 0.00 1.93 1.75 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.06 4.70 0.00 4.20 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 0.00 114 T 8.49 4.40 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 1.33 0.00 0.00 115 S 8.83 4.23 0.00 4.04 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 0.00 116 K 7.55 4.41 0.00 1.73 1.74 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.41 7.81 117 G 8.86 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 0.00 118 V 8.19 4.32 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 0.80 0.00 0.00 0.88 0.00 0.00 119 L 8.16 5.03 0.00 1.85 1.75 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 120 T 9.23 5.54 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 1.30 0.00 0.00 121 D 8.87 4.48 0.00 2.89 3.02 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 0.00 122 R 8.29 4.44 0.00 1.87 1.95 0.00 3.13 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 123 E 8.31 3.97 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 124 A 7.92 3.86 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 0.00 125 R 7.95 4.18 0.00 2.12 2.02 0.00 3.21 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 126 K 9.60 3.80 0.00 1.85 2.04 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 127 L 8.54 4.26 0.00 1.76 1.85 0.93 0.93 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 0.00 128 G 9.75 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 0.00 0.00 0.00 129 V 7.75 4.33 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 0.84 0.00 0.00 0.95 0.00 0.00 130 G 8.96 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 0.00 0.00 0.00 131 G 7.96 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 0.00 132 E 8.01 4.35 0.00 1.86 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 2.13 1.64 0.00 133 L 8.40 4.30 0.00 1.72 1.51 0.92 0.96 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 0.00 134 I 8.68 3.98 2.01 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 1.59 0.96 0.00 0.00 135 C 7.81 5.28 0.00 3.16 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 0.00 136 E 8.56 5.21 0.00 2.19 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 2.25 2.31 0.00 137 V 8.88 4.74 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 0.60 0.00 0.00 0.79 0.00 0.00 138 W 8.12 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