NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2845 8.2531 123.5584 52.1131 19.7994 177.4591 16 G 3.6388 8.7965 111.9568 45.6922 0.0000 173.4365 17 I 3.9673 8.1025 121.0152 63.4749 38.6426 175.3036 18 T 3.9573 7.8746 116.4641 63.2318 69.1439 174.4247 19 G 3.4751 7.6484 113.5569 45.1640 0.0000 171.0358 20 T 4.5806 7.4844 117.9927 61.4430 70.6036 174.2529 21 W 4.6823 8.2525 125.0923 54.8538 33.4324 173.9386 22 Y 5.4675 9.3941 120.0841 56.5151 41.6512 174.9782 23 N 5.5428 9.1457 120.8464 50.6123 39.6629 174.5910 24 Q 4.2335 8.6997 115.2654 57.9618 29.1696 176.4924 25 L 4.2699 7.9114 117.1202 54.8039 41.7836 177.0750 26 G 4.1497 8.4669 106.8269 45.1289 0.0000 173.8203 27 S 4.7653 8.7766 116.4274 58.2912 64.8181 173.3466 28 T 5.2352 8.7381 118.0556 61.8448 72.7171 173.1618 29 F 5.1364 8.6904 119.0105 55.2612 41.7730 173.2125 30 I 4.8757 8.8764 123.5537 59.4859 39.5171 175.0584 31 V 4.9207 8.8099 125.9096 60.2377 35.5088 174.2906 32 T 4.7849 8.8093 118.6244 61.7638 71.3437 172.9824 33 A 4.5473 8.7222 129.4331 50.2038 19.8375 177.1958 34 G 3.8376 9.2048 111.8035 45.4292 0.0000 174.0620 35 A 4.1334 8.5109 123.1800 54.4263 18.5621 178.3070 36 D 4.5392 8.0945 113.6560 53.4447 39.9443 177.2762 37 G 3.3639 8.3546 108.8764 44.9287 0.0000 173.3032 38 A 4.6732 8.2213 122.0965 51.5505 20.1032 176.7322 39 L 5.3229 8.9275 120.6281 53.1477 45.0661 175.9364 40 T 4.8790 8.7165 112.8623 60.0023 72.6957 174.3460 41 G 3.9756 7.4678 108.6720 46.4517 0.0000 171.3769 42 T 5.1234 7.8685 115.5824 61.9191 73.0586 172.5302 43 Y 4.9205 9.4013 126.7859 55.9112 41.4790 174.1824 44 I 5.0212 8.5213 128.4466 59.2835 39.6022 175.8146 45 G 4.3328 9.2261 114.9457 46.0297 0.0000 173.5136 46 A 4.4265 8.9247 122.2831 54.4777 18.7049 179.4503 47 R 3.8801 8.1664 115.2972 57.5055 30.2989 178.0088 48 G 3.9472 8.3226 104.1397 45.6832 0.0000 173.2693 49 N 4.4938 7.5224 117.1856 52.6788 39.7139 175.8006 50 A 3.9762 8.3320 124.8547 55.2231 18.5878 179.1898 51 E 4.0360 7.7563 112.3614 57.6968 29.8294 177.1069 52 S 4.9811 8.1227 114.9705 58.3161 64.4159 173.3188 53 R 5.2359 7.5211 119.8763 54.8692 31.6689 175.4864 54 Y 4.8235 9.0542 120.3712 55.9610 42.5286 174.9582 55 V 4.3336 8.5807 122.9612 62.8394 32.7565 175.0629 56 L 5.1349 8.7974 126.7260 54.4074 43.9383 175.1863 57 T 4.9747 8.5063 114.1744 61.3528 71.4115 173.2229 58 G 4.5633 8.7117 113.0525 46.3865 0.0000 171.9876 59 R 5.5898 8.6785 117.7181 55.0817 34.9381 173.9869 60 Y 5.2328 8.5396 118.2807 55.5333 41.6928 174.3751 61 D 4.3137 9.1593 120.6492 54.0140 40.7464 176.6989 62 S 4.3285 8.1550 120.6321 58.7758 64.0059 174.3618 63 A 4.6596 7.9968 123.2922 50.2028 18.4251 173.5314 64 P 4.7894 0.0000 0.0000 60.3419 33.0796 177.0926 65 A 4.2137 8.3701 121.8104 52.7931 18.7051 177.3810 66 T 4.6422 8.3935 109.6446 61.6526 69.2016 174.5886 67 D 4.8343 8.4093 118.9800 53.9974 39.5981 176.9152 68 G 4.0372 8.3958 108.9605 45.9579 0.0000 174.9336 69 S 4.2628 7.7063 115.3023 58.2123 63.3046 174.2571 70 G 4.0110 8.3255 110.7739 45.9851 0.0000 172.6204 71 T 4.8118 8.7978 116.5145 61.4495 70.1988 174.7940 72 A 4.7884 8.6831 129.3752 52.3152 19.8961 175.8631 73 L 5.0218 9.0959 120.3311 55.4483 44.5561 174.1121 74 G 4.6825 9.1183 105.7153 45.2395 0.0000 171.9386 75 W 5.7925 8.4811 117.7437 55.4259 32.5781 173.5033 76 T 5.2309 9.2553 116.3503 61.8023 72.3253 173.2818 77 V 4.6423 8.8159 124.6809 60.9263 34.2585 173.8400 78 A 4.6309 8.2314 129.2209 49.2356 20.7908 177.2611 79 W 4.3072 8.3778 124.7271 56.3282 28.8027 176.4558 80 K 5.2189 7.9120 118.1666 54.7004 35.2110 174.4224 81 N 5.0058 8.9870 122.1100 51.8074 40.0198 174.1520 82 N 4.3854 8.5884 113.7733 55.0846 38.8564 175.2497 83 Y 4.6207 7.6186 114.8429 58.5513 40.1304 175.5255 84 R 4.7458 8.6386 114.5169 55.1076 32.8076 173.5520 85 N 5.1556 8.5226 116.0589 52.9628 41.1205 173.3989 86 A 4.4608 9.1195 128.3600 51.3124 19.8865 176.1590 87 H 4.1519 8.8515 114.6832 56.6613 26.9505 173.3426 88 S 5.1802 7.4685 111.3398 57.7838 67.0932 174.0491 89 A 5.0012 9.1736 121.1045 50.8981 22.7493 175.2601 90 T 4.9574 8.6749 118.3802 61.7537 71.6879 173.4324 91 T 4.9571 8.4236 115.3922 59.6426 71.9419 172.7616 92 W 4.9623 8.6358 124.3802 54.8368 31.8164 174.6815 93 S 4.8086 8.9425 119.2938 56.5219 65.0246 173.2160 94 G 4.4072 8.2919 112.2273 46.7501 0.0000 171.6950 95 Q 5.2880 8.3914 118.3066 54.8338 32.7742 173.6450 96 Y 4.8162 9.0974 122.7551 56.5360 41.0229 174.3215 97 V 3.9245 8.3465 126.2136 61.0708 34.4961 175.5543 98 G 3.9741 8.1004 115.7822 44.5520 0.0000 170.0664 99 G 3.8183 8.8475 104.3396 43.7332 0.0000 173.5851 100 A 4.0746 8.6624 121.2033 54.5959 18.9538 178.5781 101 E 4.5648 7.7560 115.2533 55.1481 28.9523 176.1803 102 A 4.5056 7.5980 120.2734 52.7520 19.7624 178.6143 103 R 5.2975 9.0834 118.8769 55.1147 35.7358 174.2433 104 I 4.9271 8.9701 121.8360 59.8866 40.1877 174.4263 105 N 5.3680 9.1460 126.0640 52.0441 40.2018 174.6006 106 T 5.3328 9.4493 114.0054 60.0452 73.0402 172.7394 107 Q 5.1959 9.0875 121.2035 53.8793 32.2454 174.8060 108 W 5.3247 8.4944 118.7931 54.6008 32.3237 173.9117 109 L 5.2231 8.7424 120.5700 52.9754 44.6116 175.1608 110 L 4.9594 9.2230 126.7694 53.7314 44.1656 174.9157 111 T 5.0818 8.8627 123.8368 61.9843 70.9860 173.7065 112 S 5.0667 8.8777 123.0928 56.5114 65.1055 174.4458 113 G 3.8502 8.8937 112.1123 46.6338 0.0000 173.0798 114 T 4.7770 8.3036 114.3049 59.4597 72.4520 173.3495 115 T 4.2516 8.0097 111.7617 61.0281 69.5174 175.2800 116 E 3.9228 8.8590 121.3974 59.6255 29.6660 179.7483 117 A 4.0785 8.0488 120.2225 54.7690 18.9416 177.6161 118 N 4.6521 8.1477 111.4785 52.9893 38.8307 176.9294 119 A 4.1900 7.9180 123.7968 54.0371 18.6035 180.6614 120 W 4.2254 8.2173 112.5403 58.8250 28.1762 176.8711 121 K 4.3440 6.4517 116.6315 56.2795 32.1883 177.6473 122 S 4.1152 8.1171 117.9498 61.0504 63.2632 173.6725 123 T 5.0899 7.6609 116.7925 61.6235 70.8524 173.7094 124 L 4.7615 8.8806 127.2219 53.5145 43.8640 176.2114 125 V 4.4411 7.9258 120.7799 60.3557 34.4740 175.1569 126 G 2.9931 6.6100 108.1011 45.6801 0.0000 171.2211 127 H 5.4661 7.9501 113.6665 54.3108 31.9997 172.6029 128 D 4.9865 9.2921 118.3771 53.2511 45.4165 174.3683 129 T 5.1447 8.5524 118.4625 61.9592 71.3780 172.9374 130 F 5.5054 9.5449 125.9660 56.1257 41.7727 175.0267 131 T 5.5820 9.3454 112.1660 60.0293 71.9864 175.0528 132 K 3.7513 8.7920 120.9090 57.6937 32.5583 177.5145 133 V 4.3973 7.4524 117.4115 60.4895 34.0950 174.9476 134 K 3.9384 8.1168 125.0692 56.6107 31.9838 176.5048 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 15 A 8.25 4.28 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 16 G 8.80 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.10 3.97 1.38 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.55 0.00 0.00 18 T 7.87 3.96 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 1.21 0.00 0.00 19 G 7.65 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.48 4.58 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 0.62 0.00 0.00 21 W 8.25 4.68 0.00 1.78 2.76 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 0.00 0.00 0.00 22 Y 9.39 5.47 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.15 5.54 0.00 2.48 2.36 0.00 0.00 6.95 7.55 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 24 Q 8.70 4.23 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 25 L 7.91 4.27 0.00 1.75 1.81 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.47 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 0.00 0.00 0.00 27 S 8.78 4.77 0.00 4.20 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 28 T 8.74 5.24 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 0.94 0.00 0.00 29 F 8.69 5.14 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 30 I 8.88 4.88 1.80 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 1.12 0.48 0.82 0.00 0.00 31 V 8.81 4.92 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 0.85 0.00 0.00 0.78 0.00 0.00 32 T 8.81 4.78 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 1.18 0.00 0.00 33 A 8.72 4.55 0.72 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 34 G 9.20 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 35 A 8.51 4.13 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 36 D 8.09 4.54 0.00 2.78 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 37 G 8.35 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.22 4.67 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 39 L 8.93 5.32 0.00 1.71 1.45 1.04 0.15 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 40 T 8.72 4.88 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 1.21 0.00 0.00 41 G 7.47 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 42 T 7.87 5.12 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 1.31 0.00 0.00 43 Y 9.40 4.92 0.00 2.84 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 44 I 8.52 5.02 1.87 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 0.69 0.98 0.00 0.00 45 G 9.23 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 0.00 0.00 0.00 0.00 46 A 8.92 4.43 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 47 R 8.17 3.88 0.00 1.90 1.98 0.00 3.31 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 48 G 8.32 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 49 N 7.52 4.49 0.00 2.85 2.79 0.00 0.00 7.07 7.62 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 50 A 8.33 3.98 1.19 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 51 E 7.76 4.04 0.00 1.84 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 2.00 1.47 0.00 52 S 8.12 4.98 0.00 4.07 4.01 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 53 R 7.52 5.24 0.00 1.59 1.85 0.00 3.11 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 54 Y 9.05 4.82 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.58 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 0.78 0.00 0.00 0.93 0.00 0.00 56 L 8.80 5.13 0.00 1.80 1.61 0.54 -0.20 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 57 T 8.51 4.97 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 1.23 0.00 0.00 58 G 8.71 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 0.00 0.00 0.00 0.00 59 R 8.68 5.59 0.00 1.75 1.78 0.00 3.31 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 60 Y 8.54 5.23 0.00 3.10 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 61 D 9.16 4.31 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.15 4.33 0.00 3.87 3.42 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 63 A 8.00 4.66 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 64 P 0.00 4.79 0.00 2.28 2.18 0.00 3.45 0.00 0.00 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.37 4.21 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 66 T 8.39 4.64 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 1.25 0.00 0.00 67 D 8.41 4.83 0.00 2.79 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 68 G 8.40 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 69 S 7.71 4.26 0.00 4.03 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 70 G 8.33 4.01 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 0.00 0.00 0.00 71 T 8.80 4.81 4.58 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 1.47 0.00 0.00 72 A 8.68 4.79 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 73 L 9.10 5.02 0.00 2.06 1.95 1.27 0.43 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 74 G 9.12 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 75 W 8.48 5.79 0.00 3.41 3.17 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 76 T 9.26 5.23 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 1.23 0.00 0.00 77 V 8.82 4.64 1.49 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 -0.48 0.00 0.00 0.74 0.00 0.00 78 A 8.23 4.63 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.38 4.31 0.00 3.43 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.91 5.22 0.00 1.91 1.71 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.46 7.81 81 N 8.99 5.01 0.00 2.80 2.60 0.00 0.00 6.71 6.90 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 82 N 8.59 4.39 0.00 2.04 2.46 0.00 0.00 6.63 7.46 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 83 Y 7.62 4.62 0.00 3.26 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 84 R 8.64 4.75 0.00 2.05 2.10 0.00 2.90 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 85 N 8.52 5.16 0.00 2.68 2.64 0.00 0.00 6.83 7.96 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 86 A 9.12 4.46 1.23 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 0.00 0.00 0.00 87 H 8.85 4.15 0.00 3.28 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.47 5.18 0.00 3.99 3.94 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 89 A 9.17 5.00 1.17 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 90 T 8.67 4.96 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 -0.39 0.00 0.00 91 T 8.42 4.96 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 1.16 0.00 0.00 92 W 8.64 4.96 0.00 1.78 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 0.00 0.00 0.00 93 S 8.94 4.81 0.00 3.77 3.63 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 94 G 8.29 4.41 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 0.00 95 Q 8.39 5.29 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 96 Y 9.10 4.82 0.00 3.03 2.91 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 0.00 0.00 0.00 0.00 97 V 8.35 3.92 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 0.83 0.00 0.00 0.90 0.00 0.00 98 G 8.10 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 0.00 0.00 0.00 99 G 8.85 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 0.00 0.00 0.00 100 A 8.66 4.07 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 0.00 101 E 7.76 4.56 0.00 1.98 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 2.24 2.24 0.00 102 A 7.60 4.51 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.08 5.30 0.00 1.82 1.90 0.00 3.13 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 104 I 8.97 4.93 1.89 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.09 1.13 0.00 0.00 105 N 9.15 5.37 0.00 2.73 2.82 0.00 0.00 6.09 6.61 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 0.00 106 T 9.45 5.33 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 1.47 0.00 0.00 107 Q 9.09 5.20 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 108 W 8.49 5.32 0.00 2.63 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 0.00 0.00 0.00 0.00 109 L 8.74 5.22 0.00 1.54 1.56 0.88 0.31 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 0.00 110 L 9.22 4.96 0.00 1.57 1.66 0.61 0.86 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 0.00 111 T 8.86 5.08 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 1.19 0.00 0.00 112 S 8.88 5.07 0.00 3.64 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.89 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 0.00 114 T 8.30 4.78 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 1.18 0.00 0.00 115 T 8.01 4.25 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 1.19 0.00 0.00 116 E 8.86 3.92 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 117 A 8.05 4.08 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 0.00 118 N 8.15 4.65 0.00 2.68 2.51 0.00 0.00 6.83 7.45 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 0.00 119 A 7.92 4.19 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 0.00 120 W 8.22 4.23 0.00 3.57 3.23 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 0.00 121 K 6.45 4.34 0.00 1.44 0.74 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.39 0.82 7.81 122 S 8.12 4.12 0.00 4.08 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 0.00 123 T 7.66 5.09 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 0.00 124 L 8.88 4.76 0.00 1.79 1.78 0.96 0.50 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 0.00 125 V 7.93 4.44 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 0.56 0.00 0.00 0.69 0.00 0.00 126 G 6.61 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 0.00 0.00 0.00 127 H 7.95 5.47 0.00 3.19 3.11 0.00 5.69 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 0.00 128 D 9.29 4.99 0.00 3.14 2.42 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 0.00 129 T 8.55 5.14 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 1.39 0.00 0.00 130 F 9.54 5.51 0.00 3.16 3.27 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 0.00 131 T 9.35 5.58 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 132 K 8.79 3.75 0.00 1.56 1.58 0.00 1.52 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.58 7.81 133 V 7.45 4.40 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 0.75 0.00 0.00 0.89 0.00 0.00 134 K 8.12 3.94 0.00 0.79 1.32 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.20 7.81