NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9977 8.3549 109.7428 45.4607 0.0000 172.8058 2 L 4.5149 8.0879 125.5437 50.0630 44.4746 176.0810 3 S 4.4631 9.7735 119.1378 57.9668 66.0701 175.0644 4 D 4.6708 8.7401 122.1444 57.7053 40.5887 179.3316 5 G 3.6897 8.1220 105.6124 47.9117 0.0000 175.4280 6 E 3.9453 8.3638 120.9388 58.9578 29.3849 179.4804 7 W 4.2789 8.1979 119.0849 59.7073 29.1056 178.3719 8 Q 4.0645 8.4422 119.6876 59.2032 28.4338 178.3282 9 Q 4.0072 8.1709 119.1384 58.9070 28.7806 178.6831 10 V 3.6916 7.9151 119.2128 66.3831 31.3827 178.1249 11 L 4.2995 8.1256 116.4910 57.0358 41.6736 178.8367 12 N 4.4924 8.1299 117.7325 56.6956 38.9508 176.8240 13 V 3.5951 8.0505 119.8333 66.0481 31.4761 177.8106 14 W 4.1110 8.5043 127.8842 60.0899 30.2422 177.9872 15 G 3.6591 7.8222 104.9225 47.6941 0.0000 175.5158 16 K 3.9792 7.9673 120.6665 59.2705 32.1441 179.5785 17 V 2.7019 7.0030 117.9171 65.6882 31.0887 177.7200 18 E 3.8707 7.6830 116.8526 58.6700 29.2878 178.7084 19 A 4.2045 7.3608 120.3036 53.8142 19.8682 177.6355 20 D 4.6580 7.6916 116.2839 52.0858 42.6313 175.1459 21 I 3.6001 7.8668 123.7117 63.8013 38.5093 176.6488 22 A 4.1358 7.4068 122.5645 54.4487 18.2903 179.7200 23 G 3.5539 8.1251 105.5013 47.8059 0.0000 175.6346 24 H 4.1290 8.2649 119.3865 58.2998 28.6828 178.1756 25 G 3.5371 8.2342 107.5889 47.7771 0.0000 175.5185 26 Q 3.8443 8.3365 122.6978 58.9745 29.0679 178.2803 27 E 3.8657 8.1332 119.5860 59.0808 29.4314 179.5284 28 V 3.5089 7.8790 118.4908 66.0465 31.5670 178.1793 29 L 3.4623 7.6783 118.6567 57.5264 41.2919 179.5081 30 I 3.5472 7.7245 120.0930 64.3329 37.0244 178.4429 31 R 3.8190 7.9988 119.5619 59.0886 29.7878 178.3418 32 L 3.9334 7.6289 120.0703 58.2753 41.9323 179.0239 33 F 4.5411 7.7520 116.8348 60.8320 38.9131 177.5626 34 T 4.1473 8.2418 109.0191 64.8216 68.7532 176.7419 35 G 3.6141 7.9821 107.7018 46.1183 0.0000 173.4253 36 H 4.7165 8.2611 118.3803 51.5831 29.3291 171.6686 37 P 4.3136 0.0000 0.0000 65.6223 31.5232 177.4109 38 E 4.0688 8.2953 115.9956 59.5860 29.3621 179.1999 39 T 3.8095 8.1408 111.0451 64.5446 68.7290 176.1355 40 L 3.4572 7.7965 123.2282 57.9050 41.7965 178.7051 41 E 4.1255 7.8539 116.6486 58.5757 29.4357 178.7671 42 K 4.4538 8.1122 117.6191 56.9970 32.7309 177.3174 43 F 4.5779 8.1097 118.9517 55.4629 39.5529 175.6732 44 D 4.4178 8.5997 124.8092 56.8231 40.8713 178.1268 45 K 4.1805 7.7953 115.3843 57.4074 33.2840 176.9277 46 F 5.0792 7.8775 117.4778 56.9893 40.3534 176.9270 47 K 3.9002 8.3163 120.8200 59.7075 31.8715 177.6417 48 H 4.3049 8.1385 112.1383 57.0756 28.6776 175.6028 49 L 4.1202 7.3890 120.7517 54.3619 39.9983 176.6406 50 K 4.2692 8.4587 123.3152 57.4530 33.0000 177.8737 51 T 4.7295 8.1300 109.1882 58.8517 73.1875 174.4128 52 E 3.8939 8.7413 121.7997 59.0712 29.6239 179.1517 53 A 3.9400 7.8864 120.6792 55.2593 18.3809 179.1817 54 E 3.9507 8.0618 115.7591 59.7094 29.7787 179.3536 55 M 4.1148 8.0913 118.7361 58.4359 31.9110 178.7856 56 K 3.9091 8.2515 118.3288 59.0115 32.4143 177.6991 57 A 4.5105 7.6719 118.5096 51.4321 19.2126 176.9110 58 S 4.4399 7.6910 114.0124 56.9790 62.5407 174.5544 59 E 4.0236 8.8275 128.9666 59.5577 29.2403 178.7791 60 D 4.4779 8.1646 117.6287 56.9780 41.3178 177.9194 61 L 3.5604 7.9766 121.3454 57.6841 42.0653 178.6997 62 K 3.8472 7.9588 119.5499 59.3067 32.1125 178.6098 63 K 3.9380 8.1889 119.8960 59.9822 32.1124 178.3537 64 H 4.4479 8.7693 118.5600 58.9247 29.7576 177.3999 65 G 3.5950 8.3614 108.0724 48.0904 0.0000 175.8671 66 T 3.9326 7.9405 118.0429 66.2256 68.4261 177.0455 67 V 3.7126 7.7144 120.2374 65.9040 31.5176 178.2822 68 V 3.6017 7.9863 118.1111 66.2467 31.4474 178.1124 69 L 4.2597 8.0374 118.6065 57.8073 41.4125 179.6658 70 T 3.9944 8.1717 115.8262 66.5038 68.5429 176.4576 71 A 3.9749 8.0192 122.6543 55.1645 18.3830 179.3678 72 L 3.7298 8.1911 119.0924 58.1843 42.1132 179.4074 73 G 3.0172 8.5943 106.1883 47.3303 0.0000 175.7954 74 G 3.6280 7.7503 107.1568 47.6637 0.0000 175.5119 75 I 3.8431 7.4489 122.0531 64.1074 37.1662 178.5926 76 L 3.9828 7.7739 119.9139 57.6106 41.1594 179.4391 77 K 4.0335 7.6582 116.7117 58.0955 32.4030 178.5340 78 K 3.9763 7.9208 118.4123 55.7223 32.5567 176.5607 79 K 2.0000 8.2444 118.0850 56.3947 29.8468 175.2235 80 G 4.0007 7.9863 106.1206 46.0069 0.0000 174.4223 81 H 4.4962 7.3108 118.3277 54.9839 27.2642 174.7513 82 H 5.4573 7.3030 111.5872 54.1399 29.8138 176.2381 83 E 3.9149 8.6377 122.1005 60.3488 29.0486 178.6181 84 A 4.0097 7.9332 118.4444 55.0598 17.6442 178.9337 85 E 4.1185 8.0704 116.7389 59.1885 29.7247 178.8628 86 L 4.1300 8.3656 120.7780 57.5744 42.1587 178.4050 87 K 3.8245 8.1795 120.0763 59.2901 32.0243 176.8595 88 P 4.2454 0.0000 0.0000 65.8150 31.0600 178.3336 89 L 4.0369 7.5320 115.6121 57.4236 41.5689 179.0715 90 A 4.0751 8.2059 120.9334 55.5309 18.2834 179.7946 91 Q 3.8895 8.3266 116.6042 59.0446 28.7875 178.8656 92 S 3.9408 8.4385 114.5902 61.8029 62.4574 175.9402 93 H 4.2517 8.7382 118.5368 57.9095 28.1928 177.6464 94 A 2.5800 7.7804 122.8071 54.5307 18.2994 179.6744 95 T 3.7519 7.4022 112.7447 65.7691 68.7788 176.2175 96 K 4.0520 7.4777 119.7341 58.7730 32.7270 177.0513 97 H 4.4442 7.7553 112.9035 55.4361 29.5636 175.1241 98 K 3.6434 6.8630 118.4444 57.3121 29.6744 176.3755 99 I 4.3838 7.9862 118.9817 58.9903 38.0890 175.0611 100 P 4.5080 0.0000 0.0000 62.3510 32.0513 177.7163 101 I 3.6463 8.4727 120.3285 63.7968 37.7881 178.0954 102 K 3.6570 7.8766 120.3457 59.7265 31.9226 178.0316 103 Y 4.3023 7.9173 116.7088 60.6864 37.7854 178.0176 104 L 4.2385 7.8434 119.7770 57.2948 41.7959 178.8353 105 E 3.9504 7.9299 119.1727 59.2221 29.5646 178.6145 106 F 4.5257 8.0853 117.8881 61.0490 39.0668 177.6652 107 I 3.8419 8.1671 117.9087 63.8384 37.6431 178.0580 108 S 4.2019 8.2340 116.3174 61.9127 62.7980 176.3693 109 D 4.4873 8.4338 121.1827 57.4091 40.4720 178.8464 110 A 4.0950 8.3313 121.4616 55.0909 18.3467 179.7741 111 I 3.6810 7.9764 118.4642 64.5971 37.2414 178.6850 112 I 3.8910 7.7183 120.4225 64.5667 36.9505 177.9758 113 H 4.1591 8.4326 119.0291 59.4013 29.6959 177.4337 114 V 3.5515 8.0227 120.1202 65.9535 31.2999 177.9213 115 L 3.8036 7.9181 118.6403 58.1543 41.1297 179.2960 116 H 4.4075 7.8667 114.4693 58.8328 28.6753 177.5734 117 S 4.1817 7.8757 114.3832 61.0561 62.3378 175.8088 118 K 4.1147 8.0683 119.7347 57.4647 33.1445 176.5945 119 H 4.9661 8.1189 116.3254 53.7144 29.3564 172.1815 120 P 4.4443 0.0000 0.0000 64.4147 31.6578 177.2120 121 G 3.9763 9.1897 110.8716 45.6682 0.0000 172.7278 122 D 4.9737 8.3755 117.6401 53.6124 41.6877 176.0748 123 F 4.9846 8.0363 119.9016 54.8135 39.5884 174.7432 124 G 3.7945 8.1067 112.5097 43.2560 0.0000 170.8029 125 A 3.8862 8.4032 122.1056 55.2124 18.2695 179.7402 126 D 4.2387 8.0067 116.7992 56.4546 39.4272 178.4659 127 A 3.9681 7.7914 121.6880 54.9089 18.4445 179.1595 128 Q 3.6008 7.9549 118.5468 59.0238 29.0296 178.6250 129 G 3.5664 7.9526 106.4754 47.8565 0.0000 175.5192 130 A 3.8794 8.0798 123.5782 54.9189 18.3735 179.4241 131 M 4.0432 8.3042 116.8526 58.9669 32.2425 178.5489 132 T 3.8944 8.1783 116.0568 66.6191 68.6278 176.4988 133 K 3.8141 7.9684 120.0847 59.5814 32.0932 179.1908 134 A 3.8896 7.8519 120.7260 55.2067 18.2645 179.7551 135 L 4.1013 8.1842 117.5518 57.7995 41.6532 179.6458 136 E 3.9920 8.6078 119.1423 59.1690 29.4236 178.8649 137 L 3.9743 8.1294 120.5312 58.1967 42.1645 178.8016 138 F 4.1566 8.3521 120.3614 61.4006 39.2909 177.0388 139 R 3.5759 8.2801 118.3384 59.4439 29.9740 178.0291 140 N 4.2372 8.6465 117.2140 56.6331 38.5802 176.6472 141 D 4.3797 8.2242 120.4942 57.0355 40.8408 178.8037 142 I 3.4876 7.4014 120.2826 64.1282 36.9804 178.1658 143 A 3.7367 7.9720 121.6133 54.9952 18.1018 179.5070 144 A 3.9383 7.8645 119.0836 55.4247 18.6147 180.1096 145 K 4.0791 7.8439 116.5111 59.5533 32.0014 179.3463 146 Y 4.2493 8.3138 117.5750 60.9172 37.8052 178.2746 147 K 3.9712 8.4480 120.7779 59.2863 32.0878 178.1480 148 E 3.9468 7.9637 118.7511 59.5817 29.6369 178.5173 149 L 4.3137 7.8087 114.9331 54.4438 41.9225 177.2501 150 G 3.9174 7.8115 106.8215 46.2801 0.0000 173.2777 151 F 4.4582 8.2542 121.8328 56.8740 40.1987 175.5687 152 Q 3.8227 7.4873 125.3383 55.8475 29.0289 175.2997 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 G 8.35 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 2 L 8.09 4.51 0.00 0.69 0.63 0.54 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.77 4.46 0.00 4.01 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 4 D 8.74 4.67 0.00 2.77 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 5 G 8.12 3.69 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 0.00 0.00 0.00 6 E 8.36 3.95 0.00 2.04 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 7 W 8.20 4.28 0.00 3.53 3.19 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 8 Q 8.44 4.06 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.17 4.01 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 10 V 7.92 3.69 2.44 0.00 0.00 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 0.83 0.00 0.00 11 L 8.13 4.30 0.00 1.76 1.81 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.13 4.49 0.00 2.97 3.02 0.00 0.00 6.63 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 13 V 8.05 3.60 2.39 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 0.94 0.00 0.00 1.24 0.00 0.00 14 W 8.50 4.11 0.00 3.64 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 15 G 7.82 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 0.00 0.00 0.00 16 K 7.97 3.98 0.00 1.55 1.50 0.00 1.42 0.00 0.00 0.92 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.36 7.81 17 V 7.00 2.70 0.67 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 0.08 0.00 0.00 0.20 0.00 0.00 18 E 7.68 3.87 0.00 1.85 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 2.25 2.25 0.00 19 A 7.36 4.20 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 20 D 7.69 4.66 0.00 2.73 2.53 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 0.00 0.00 0.00 21 I 7.87 3.60 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 0.89 0.00 0.00 22 A 7.41 4.14 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 23 G 8.13 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 0.00 0.00 0.00 24 H 8.26 4.13 0.00 3.17 3.21 0.00 5.82 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 25 G 8.23 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.34 3.84 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 27 E 8.13 3.87 0.00 1.96 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 2.24 2.38 0.00 28 V 7.88 3.51 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 1.02 0.00 0.00 0.97 0.00 0.00 29 L 7.68 3.46 0.00 1.33 0.76 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.72 3.55 1.76 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 1.34 0.58 0.86 0.00 0.00 31 R 8.00 3.82 0.00 1.91 2.10 0.00 3.00 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 32 L 7.63 3.93 0.00 1.80 1.46 1.08 0.96 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 33 F 7.75 4.54 0.00 2.94 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 34 T 8.24 4.15 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 1.26 0.00 0.00 35 G 7.98 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.26 4.72 0.00 3.03 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.31 0.00 2.15 2.12 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 38 E 8.30 4.07 0.00 2.30 2.31 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 2.27 2.61 0.00 39 T 8.14 3.81 4.47 0.00 0.00 0.00 0.00 0.00 0.00 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 40 L 7.80 3.46 0.00 1.41 1.73 -0.21 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.85 4.13 0.00 2.25 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 2.38 2.53 0.00 42 K 8.11 4.45 0.00 1.94 1.75 0.00 1.92 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.75 1.93 7.81 43 F 8.11 4.58 0.00 3.20 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 D 8.60 4.42 0.00 2.63 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 45 K 7.80 4.18 0.00 1.64 1.73 0.00 1.37 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.83 0.21 7.81 46 F 7.88 5.08 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 3.90 0.00 1.75 1.89 0.00 1.76 0.00 0.00 2.24 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.67 1.62 7.81 48 H 8.14 4.30 0.00 3.25 3.46 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.39 4.12 0.00 1.65 1.60 0.78 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.46 4.27 0.00 1.85 1.85 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.36 7.81 51 T 8.13 4.73 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 1.24 0.00 0.00 52 E 8.74 3.89 0.00 2.04 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 2.35 2.35 0.00 53 A 7.89 3.94 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 54 E 8.06 3.95 0.00 2.11 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 2.36 0.00 55 M 8.09 4.11 0.00 2.02 2.17 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 2.80 2.53 0.00 56 K 8.25 3.91 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 57 A 7.67 4.51 1.37 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 0.00 0.00 0.00 58 S 7.69 4.44 0.00 3.99 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 59 E 8.83 4.02 0.00 2.06 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 2.33 0.00 60 D 8.16 4.48 0.00 2.92 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 61 L 7.98 3.56 0.00 1.38 1.59 0.69 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.96 3.85 0.00 1.87 2.01 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 63 K 8.19 3.94 0.00 2.05 2.14 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.77 4.45 0.00 3.70 3.60 0.00 5.84 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 65 G 8.36 3.59 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 0.00 0.00 0.00 66 T 7.94 3.93 4.40 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 1.23 0.00 0.00 67 V 7.71 3.71 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 1.03 0.00 0.00 1.02 0.00 0.00 68 V 7.99 3.60 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 1.14 0.00 0.00 1.08 0.00 0.00 69 L 8.04 4.26 0.00 1.80 1.83 0.83 0.96 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 70 T 8.17 3.99 4.48 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 1.26 0.00 0.00 71 A 8.02 3.97 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 72 L 8.19 3.73 0.00 1.59 1.79 0.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.59 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 0.00 0.00 0.00 74 G 7.75 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 0.00 0.00 0.00 75 I 7.45 3.84 1.90 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.97 0.00 0.00 76 L 7.77 3.98 0.00 1.24 1.54 0.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.66 4.03 0.00 1.78 1.77 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.44 7.81 78 K 7.92 3.98 0.00 1.79 1.81 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.57 1.58 7.81 79 K 8.24 2.00 0.00 1.15 0.74 0.00 1.26 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.55 1.01 7.81 80 G 7.99 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 81 H 7.31 4.50 0.00 3.16 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.30 5.46 0.00 3.27 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.64 3.91 0.00 2.11 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 2.39 2.47 0.00 84 A 7.93 4.01 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 85 E 8.07 4.12 0.00 2.25 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 2.40 2.43 0.00 86 L 8.37 4.13 0.00 1.70 1.72 0.74 0.49 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 87 K 8.18 3.82 0.00 2.06 1.82 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.25 0.00 2.32 2.31 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 89 L 7.53 4.04 0.00 1.90 1.78 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.21 4.08 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 91 Q 8.33 3.89 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 92 S 8.44 3.94 0.00 3.81 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 93 H 8.74 4.25 0.00 3.48 3.50 0.00 5.86 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 94 A 7.78 2.58 0.20 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 95 T 7.40 3.75 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 1.11 0.00 0.00 96 K 7.48 4.05 0.00 1.53 1.54 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.35 7.81 97 H 7.76 4.44 0.00 3.05 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.86 3.64 0.00 1.98 2.01 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.56 7.81 99 I 7.99 4.38 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.96 1.20 0.00 0.00 100 P 0.00 4.51 0.00 1.66 1.69 0.00 2.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.73 0.00 101 I 8.47 3.65 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.86 0.00 0.00 102 K 7.88 3.66 0.00 1.70 1.48 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 0.55 7.81 103 Y 7.92 4.30 0.00 3.25 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 0.00 104 L 7.84 4.24 0.00 1.80 1.76 0.67 1.00 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 0.00 105 E 7.93 3.95 0.00 2.01 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 2.41 2.39 0.00 106 F 8.09 4.53 0.00 3.32 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 0.00 107 I 8.17 3.84 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.41 1.11 0.00 0.00 108 S 8.23 4.20 0.00 4.23 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 0.00 109 D 8.43 4.49 0.00 2.97 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 0.00 110 A 8.33 4.10 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 0.00 111 I 7.98 3.68 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.00 0.99 0.00 0.00 112 I 7.72 3.89 2.16 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.33 1.15 0.00 0.00 113 H 8.43 4.16 0.00 3.33 3.53 0.00 5.79 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 0.00 114 V 8.02 3.55 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 0.97 0.00 0.00 0.98 0.00 0.00 115 L 7.92 3.80 0.00 1.21 0.49 0.41 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.87 4.41 0.00 3.35 3.39 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.88 4.18 0.00 3.79 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 0.00 118 K 8.07 4.11 0.00 1.45 1.48 0.00 1.52 0.00 0.00 1.23 0.00 0.00 2.59 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.26 1.42 7.81 119 H 8.12 4.97 0.00 3.22 3.20 0.00 5.63 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 0.00 120 P 0.00 4.44 0.00 2.19 2.16 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 121 G 9.19 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 0.00 122 D 8.38 4.97 0.00 2.63 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 0.00 123 F 8.04 4.98 0.00 2.79 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 0.00 124 G 8.11 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 0.00 125 A 8.40 3.89 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 0.00 126 D 8.01 4.24 0.00 2.92 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 0.00 127 A 7.79 3.97 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 0.00 128 Q 7.95 3.60 0.00 1.24 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 129 G 7.95 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.08 3.88 1.32 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 0.00 0.00 131 M 8.30 4.04 0.00 2.41 2.38 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 132 T 8.18 3.89 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 1.23 0.00 0.00 133 K 7.97 3.81 0.00 1.83 1.69 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.53 7.81 134 A 7.85 3.89 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 0.00 135 L 8.18 4.10 0.00 1.91 1.82 1.04 0.73 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 0.00 136 E 8.61 3.99 0.00 2.16 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 2.35 2.43 0.00 137 L 8.13 3.97 0.00 1.81 1.99 1.02 1.03 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 0.00 138 F 8.35 4.16 0.00 3.14 3.29 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 0.00 139 R 8.28 3.58 0.00 2.12 2.07 0.00 3.18 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 140 N 8.65 4.24 0.00 2.93 2.78 0.00 0.00 7.27 8.50 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 0.00 141 D 8.22 4.38 0.00 2.76 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 0.00 142 I 7.40 3.49 1.49 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.01 0.23 0.00 0.00 143 A 7.97 3.74 1.28 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 0.00 0.00 144 A 7.86 3.94 1.37 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 0.00 0.00 0.00 145 K 7.84 4.08 0.00 1.99 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.62 7.81 146 Y 8.31 4.25 0.00 3.19 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 0.00 147 K 8.45 3.97 0.00 1.86 1.97 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.96 3.95 0.00 2.22 2.23 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 2.34 2.39 0.00 149 L 7.81 4.31 0.00 1.83 1.68 0.85 0.70 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 0.00 150 G 7.81 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 0.00 0.00 0.00 151 F 8.25 4.46 0.00 2.74 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 0.00 152 Q 7.49 3.82 0.00 1.74 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00