NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5239 8.1633 120.6136 55.5131 34.3377 173.1409 3 I 4.9052 8.2476 118.7918 59.2749 40.2028 174.0612 4 R 4.7279 9.5667 124.6139 54.5160 35.3680 173.8328 5 G 4.3804 8.6840 108.4054 45.0805 0.0000 173.0647 6 I 4.7986 8.9750 125.0921 59.4672 40.3123 175.0753 7 R 4.8877 8.7957 125.9199 55.4454 32.3184 175.6164 8 G 4.6804 8.6366 107.5275 44.8973 0.0000 171.4067 9 A 5.1799 7.7998 120.3847 51.3655 23.0387 174.9198 10 T 5.0929 8.5591 113.5229 61.6194 71.6283 172.1463 11 T 5.1813 8.3413 113.1818 60.1103 71.7226 173.6331 12 V 4.3945 8.3962 116.3256 60.0516 33.5982 175.9786 13 E 4.2707 9.3409 122.0041 58.2368 29.9506 177.5565 14 R 4.6561 8.0775 115.5504 54.3408 34.1504 175.3728 15 D 4.5934 8.4104 120.9577 53.7505 39.6706 175.5007 16 T 4.6853 7.5805 116.7896 58.4485 72.2461 172.8877 17 E 3.8769 8.7191 126.3566 59.5584 29.6230 178.9108 18 E 3.9430 8.1869 117.8495 59.6744 29.5618 179.2698 19 E 3.9325 8.0391 117.6751 59.4662 29.6983 179.3085 20 I 3.6974 7.9068 119.9414 64.4616 37.1725 178.5847 21 L 4.0230 8.2096 120.0882 57.8740 41.4099 179.5697 22 Q 4.0585 8.3648 118.1216 58.4571 28.7171 178.7486 23 K 3.9606 8.4950 120.1782 59.7472 32.1237 179.5287 24 T 3.8392 7.9356 116.0402 66.2557 68.2221 176.4851 25 K 3.7740 7.9572 121.5489 59.7208 32.1810 178.6882 26 Q 3.9163 7.9200 118.1208 58.8297 28.5418 178.7328 27 L 3.8537 7.8901 121.0439 58.2508 42.1906 178.9607 28 L 3.8207 7.8641 118.7916 57.8193 41.4796 179.4395 29 E 3.8207 8.2709 118.7136 59.3150 29.3875 179.4191 30 K 3.9418 8.2244 119.7125 59.2809 32.1594 179.0885 31 I 3.7026 7.8758 120.5743 64.4006 36.9746 178.4159 32 I 3.8203 8.1032 121.1263 64.2091 36.6349 178.2068 33 E 3.8507 8.0822 119.4217 59.3673 29.6098 178.4790 34 E 4.1671 8.1390 117.3501 59.0447 29.7347 178.2180 35 N 4.6467 8.5268 113.7427 52.4002 40.0383 174.4313 36 H 4.0994 8.2885 117.0968 56.9713 26.7331 175.2571 37 T 4.3531 7.7864 114.3831 63.0396 69.9076 175.0328 38 K 4.6873 8.3117 124.7655 53.6270 34.4183 175.6143 39 P 2.9700 0.0000 0.0000 65.0728 30.9134 177.3910 40 E 4.2069 7.7794 113.8770 56.7063 30.2112 176.1811 41 D 4.6568 8.0043 119.5095 54.1094 41.6618 175.6055 42 V 4.4275 6.9651 120.5739 61.5289 32.4466 175.7024 43 V 3.8628 8.7302 128.7219 65.0574 31.8210 175.5712 44 Q 4.7793 7.5366 115.5795 56.1115 31.4946 171.6616 45 M 5.3197 8.6065 118.4424 53.9299 36.2908 173.4229 46 L 5.3020 9.0618 124.6518 52.9072 45.4608 175.3331 47 L 5.2578 9.0365 123.4257 52.9331 44.9916 175.7238 48 S 5.9999 9.4610 118.4128 55.8475 66.2484 172.8517 49 A 5.2823 8.2625 122.5212 50.0024 22.1936 175.8488 50 T 4.4018 8.5358 112.3913 60.8430 69.9726 173.6711 51 P 4.4257 0.0000 0.0000 64.2873 31.2010 176.4631 52 D 4.5209 7.8515 117.6838 53.7544 40.1284 175.8881 53 L 4.5878 7.6546 121.0467 53.7152 42.5021 175.7853 54 H 4.7612 8.7796 119.3682 55.3325 30.6224 175.3501 55 A 4.1031 8.2686 123.0936 54.4589 18.3717 178.1482 56 V 4.4074 7.0741 111.8952 59.5470 34.7770 174.7572 57 F 4.3959 8.5009 120.2786 56.8679 39.2534 174.7395 58 P 4.2613 0.0000 0.0000 65.7781 31.1462 178.1434 59 A 4.0288 8.3179 119.0234 55.2352 17.9280 179.3781 60 K 3.9765 8.3982 117.8309 59.3794 32.3367 178.7716 61 A 4.0269 7.8781 120.8870 54.4504 18.1763 179.6641 62 V 3.4868 7.6736 117.1821 66.0611 31.4302 177.9834 63 R 4.1377 7.5543 115.9404 58.0775 29.9365 178.0086 64 E 4.1881 7.9376 117.6848 56.7183 29.8931 176.3894 65 L 4.4116 7.4134 120.6307 53.1918 42.7485 176.1979 66 S 4.3545 8.5524 120.4507 59.6873 63.4397 174.6297 67 G 4.0384 8.8593 113.9634 45.2583 0.0000 174.0300 68 W 4.4904 8.0667 119.1867 56.4691 29.0534 177.8500 69 Q 4.0599 7.9090 116.9318 58.0126 28.1633 176.1946 70 Y 4.7397 7.5925 114.8281 57.6692 38.6807 175.0674 71 V 3.9934 7.6349 121.5037 61.0891 32.2223 173.7641 72 P 4.6182 0.0000 0.0000 62.8038 32.5469 175.6279 73 V 5.0728 8.3058 115.7447 60.0199 35.4321 174.6797 74 T 4.6537 8.6642 116.9981 60.9676 71.1593 172.3522 75 C 5.4416 8.5081 123.5814 58.6955 30.9879 172.7122 76 M 4.8793 8.7354 116.8886 54.0877 34.8688 173.4224 77 Q 4.6010 8.5405 121.7250 54.9097 29.8830 175.0603 78 E 4.3164 8.7375 128.5839 56.1266 30.4412 176.5222 79 M 4.1566 8.5164 122.3624 55.0403 32.1467 175.8067 80 D 4.5462 8.4767 120.7743 53.3934 41.1189 175.4606 81 V 4.3332 7.9385 126.5542 60.6016 33.6345 174.7792 82 T 3.9846 8.5437 123.1175 65.5303 68.3807 173.8802 83 G 3.7791 8.9516 114.9042 46.3278 0.0000 173.4288 84 G 3.8392 7.8333 109.1402 43.9285 0.0000 173.5214 85 L 4.3033 8.1486 121.2097 53.7418 42.3506 176.3834 86 K 4.3023 8.4666 125.5101 56.3771 33.3305 176.0321 87 K 3.8281 9.1261 117.1188 58.0175 30.2650 174.5829 88 C 5.2548 8.2118 118.1985 57.6540 34.4389 172.2828 89 I 5.0461 8.9587 126.7151 59.6063 39.6939 174.7226 90 R 5.2343 8.9680 125.7518 54.1978 33.8220 175.0081 91 V 4.8293 8.7769 122.0883 60.0648 34.7434 174.2973 92 M 4.9007 9.0171 123.5182 54.2882 34.4264 173.5338 93 M 4.9601 9.2822 127.4887 54.1030 34.8873 174.4904 94 T 5.0367 9.0784 123.7729 62.3467 70.4598 174.1178 95 V 4.8572 8.8111 120.4147 59.2025 35.4707 175.1183 96 Q 4.6260 8.9520 126.0032 56.4764 29.0444 174.9992 97 T 4.6154 8.7999 120.6151 61.4914 70.3384 172.6717 98 D 4.6451 8.6608 124.0884 54.7824 42.4215 177.1488 99 V 3.7373 7.2250 119.0587 61.8160 32.1627 173.9049 100 P 4.3666 0.0000 0.0000 62.6683 31.8342 176.9910 101 Q 3.9511 8.7930 122.3383 59.1138 28.9114 177.1394 102 D 4.7346 8.0051 114.1148 53.5328 39.8862 176.3897 103 Q 4.5680 8.0571 117.6667 55.6085 30.0978 175.8587 104 I 3.7622 7.6517 119.6729 61.2080 37.6665 175.5679 105 R 4.4033 8.6550 124.3208 54.8743 30.5982 175.5572 106 H 4.7788 8.5214 120.6749 54.9581 30.3412 175.0436 107 V 4.3738 8.2031 122.5254 61.3384 33.6256 173.8498 108 Y 5.0831 8.6733 124.8350 56.2666 40.9919 174.6856 109 L 4.8405 8.6120 122.8125 52.1862 46.4652 177.7362 110 E 3.5473 8.8260 119.0465 58.0193 28.1746 178.6082 111 K 4.0610 9.0323 124.2770 59.5312 32.2969 178.4117 112 A 4.2615 8.0200 120.6388 53.7718 17.9108 179.3813 113 V 3.6333 7.3982 111.0427 64.1556 31.6955 178.0767 114 V 3.8570 7.6561 116.5583 62.8196 31.6136 177.4812 115 L 3.9576 7.7372 120.4078 57.3096 41.6205 177.5683 116 R 4.2191 6.7634 118.3397 53.5767 32.0090 173.3377 117 P 4.3574 0.0000 0.0000 62.5980 31.3281 176.8403 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 2 M 8.16 4.52 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 3 I 8.25 4.91 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 1.34 0.42 0.92 0.00 0.00 4 R 9.57 4.73 0.00 1.63 1.77 0.00 3.29 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 5 G 8.68 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 0.00 0.00 0.00 6 I 8.97 4.80 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 1.27 0.71 0.96 0.00 0.00 7 R 8.80 4.89 0.00 1.65 1.74 0.00 3.34 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 8 G 8.64 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.80 5.18 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 10 T 8.56 5.09 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 1.19 0.00 0.00 11 T 8.34 5.18 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 1.23 0.00 0.00 12 V 8.40 4.39 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 0.68 0.00 0.00 0.91 0.00 0.00 13 E 9.34 4.27 0.00 2.07 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 2.31 2.41 0.00 14 R 8.08 4.66 0.00 1.73 1.75 0.00 3.15 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 15 D 8.41 4.59 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.58 4.69 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 1.21 0.00 0.00 17 E 8.72 3.88 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 18 E 8.19 3.94 0.00 2.08 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 2.40 2.47 0.00 19 E 8.04 3.93 0.00 1.99 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 2.39 2.39 0.00 20 I 7.91 3.70 1.85 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 1.50 1.03 0.90 0.00 0.00 21 L 8.21 4.02 0.00 1.66 1.70 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.36 4.06 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 23 K 8.49 3.96 0.00 1.78 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.61 7.81 24 T 7.94 3.84 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 1.21 0.00 0.00 25 K 7.96 3.77 0.00 2.02 1.90 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.42 7.81 26 Q 7.92 3.92 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 27 L 7.89 3.85 0.00 1.80 1.87 0.85 0.38 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 28 L 7.86 3.82 0.00 1.50 1.33 0.77 0.72 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 29 E 8.27 3.82 0.00 2.15 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 2.19 2.30 0.00 30 K 8.22 3.94 0.00 1.91 1.90 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.50 7.81 31 I 7.88 3.70 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 1.46 0.59 0.91 0.00 0.00 32 I 8.10 3.82 1.91 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 1.09 0.00 0.00 33 E 8.08 3.85 0.00 2.19 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 2.28 2.31 0.00 34 E 8.14 4.17 0.00 2.07 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 2.52 2.49 0.00 35 N 8.53 4.65 0.00 2.85 2.90 0.00 0.00 7.43 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 36 H 8.29 4.10 0.00 3.25 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.79 4.35 4.56 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 1.42 0.00 0.00 38 K 8.31 4.69 0.00 1.69 1.85 0.00 1.72 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.33 7.81 39 P 0.00 2.97 0.00 1.78 0.91 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 40 E 7.78 4.21 0.00 2.01 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 2.17 2.21 0.00 41 D 8.00 4.66 0.00 2.75 2.67 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 42 V 6.97 4.43 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 0.88 0.00 0.00 0.79 0.00 0.00 43 V 8.73 3.86 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 0.81 0.00 0.00 0.92 0.00 0.00 44 Q 7.54 4.78 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 45 M 8.61 5.32 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 46 L 9.06 5.30 0.00 1.59 1.52 0.93 0.60 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 47 L 9.04 5.26 0.00 1.56 1.55 0.93 0.91 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 48 S 9.46 6.00 0.00 3.94 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 49 A 8.26 5.28 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.54 4.40 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 1.28 0.00 0.00 51 P 0.00 4.43 0.00 2.22 2.22 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 52 D 7.85 4.52 0.00 2.76 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 53 L 7.65 4.59 0.00 1.58 1.57 0.90 0.75 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 54 H 8.78 4.76 0.00 3.09 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.27 4.10 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 56 V 7.07 4.41 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00 57 F 8.50 4.40 0.00 3.15 2.92 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 58 P 0.00 4.26 0.00 2.19 2.14 0.00 3.78 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 59 A 8.32 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.40 3.98 0.00 2.04 1.85 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 61 A 7.88 4.03 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 62 V 7.67 3.49 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 1.16 0.00 0.00 0.97 0.00 0.00 63 R 7.55 4.14 0.00 1.77 1.96 0.00 3.37 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 64 E 7.94 4.19 0.00 2.02 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 2.41 2.46 0.00 65 L 7.41 4.41 0.00 1.67 1.22 0.29 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.55 4.35 0.00 3.92 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 67 G 8.86 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 0.00 0.00 0.00 68 W 8.07 4.49 0.00 3.44 3.25 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 0.00 69 Q 7.91 4.06 0.00 1.76 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 7.17 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 70 Y 7.59 4.74 0.00 2.97 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 71 V 7.63 3.99 2.38 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 0.94 0.00 0.00 0.62 0.00 0.00 72 P 0.00 4.62 0.00 2.17 2.18 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 73 V 8.31 5.07 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 0.78 0.00 0.00 0.93 0.00 0.00 74 T 8.66 4.65 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 1.20 0.00 0.00 75 C 8.51 5.44 0.00 2.93 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 76 M 8.74 4.88 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 77 Q 8.54 4.60 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 78 E 8.74 4.32 0.00 2.04 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 2.34 2.32 0.00 79 M 8.52 4.16 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 80 D 8.48 4.55 0.00 2.64 2.66 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 81 V 7.94 4.33 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 0.98 0.00 0.00 0.94 0.00 0.00 82 T 8.54 3.98 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 83 G 8.95 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 0.00 0.00 0.00 84 G 7.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.15 4.30 0.00 1.60 1.61 0.93 0.61 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 86 K 8.47 4.30 0.00 1.78 1.88 0.00 1.97 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.40 7.81 87 K 9.13 3.83 0.00 1.96 1.99 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.34 7.81 88 C 8.21 5.25 0.00 2.99 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 89 I 8.96 5.05 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.54 0.94 0.00 0.00 90 R 8.97 5.23 0.00 1.74 1.78 0.00 3.16 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 91 V 8.78 4.83 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.97 0.00 0.00 92 M 9.02 4.90 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 93 M 9.28 4.96 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 94 T 9.08 5.04 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 1.27 0.00 0.00 95 V 8.81 4.86 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 0.75 0.00 0.00 1.01 0.00 0.00 96 Q 8.95 4.63 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 97 T 8.80 4.62 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 1.27 0.00 0.00 98 D 8.66 4.65 0.00 2.64 2.66 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 99 V 7.22 3.74 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 0.81 0.00 0.00 0.92 0.00 0.00 100 P 0.00 4.37 0.00 2.41 1.97 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 101 Q 8.79 3.95 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 102 D 8.01 4.73 0.00 2.83 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 0.00 103 Q 8.06 4.57 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 104 I 7.65 3.76 1.81 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.75 0.89 0.00 0.00 105 R 8.65 4.40 0.00 1.78 1.87 0.00 3.16 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 106 H 8.52 4.78 0.00 3.19 3.34 0.00 5.85 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 0.00 107 V 8.20 4.37 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 0.92 0.00 0.00 0.91 0.00 0.00 108 Y 8.67 5.08 0.00 2.86 2.92 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 0.00 109 L 8.61 4.84 0.00 1.55 1.53 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.83 3.55 0.00 2.15 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 111 K 9.03 4.06 0.00 1.85 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 112 A 8.02 4.26 1.55 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 0.00 113 V 7.40 3.63 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 0.86 0.00 0.00 1.00 0.00 0.00 114 V 7.66 3.86 2.15 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 0.80 0.00 0.00 0.91 0.00 0.00 115 L 7.74 3.96 0.00 1.46 1.62 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 116 R 6.76 4.22 0.00 1.05 1.60 0.00 3.27 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.38 0.00 117 P 0.00 4.36 0.00 2.00 1.92 0.00 3.62 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00