NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4337 8.3049 120.3511 54.8614 33.1515 175.2334 2 L 3.9292 8.4108 126.6891 53.5067 42.4823 175.2067 3 K 4.1722 8.7687 124.2058 56.6473 34.1687 174.8524 4 R 5.0502 8.7618 127.9503 54.7137 31.9031 175.1691 5 V 4.7587 8.7883 125.7762 61.1706 35.4075 173.6368 6 E 4.9498 9.1600 126.5880 54.7424 31.8211 174.9412 7 I 4.9878 8.2322 125.0173 59.3976 40.8084 174.5386 8 F 5.3853 9.1856 124.6977 55.9477 42.3817 174.2938 9 T 5.3149 8.7351 112.0704 60.7853 72.1241 172.4456 10 D 4.7890 9.2212 120.8213 53.9514 45.2046 174.1782 11 G 4.7027 8.2890 108.8860 45.6052 0.0000 171.9051 12 S 4.8669 8.6590 115.5133 58.0695 66.7561 174.0895 13 C 5.1852 9.3684 117.8675 57.9499 31.2736 175.2597 14 L 4.2704 8.6817 122.9572 52.3524 39.4989 176.5016 15 G 3.9055 8.7396 108.2056 45.6659 0.0000 169.9712 16 N 4.8363 8.2762 120.4102 50.6077 41.0480 172.4578 17 P 4.5573 0.0000 0.0000 61.8233 32.8516 175.7622 18 G 3.9030 7.7229 104.4333 45.3116 0.0000 169.8359 19 P 5.0236 0.0000 0.0000 62.5223 32.5760 176.1143 20 G 4.5306 9.1185 110.1688 45.0686 0.0000 170.9372 21 G 5.0638 8.8510 105.3197 45.4175 0.0000 171.9387 22 Y 5.5518 8.0558 117.7640 55.0804 42.3517 174.4657 23 G 4.4980 9.7897 106.4539 44.8769 0.0000 171.6290 24 A 5.5920 9.6849 125.6406 50.3312 23.4655 174.7861 25 I 5.0664 9.0767 120.8807 59.4481 40.9822 174.2450 26 L 5.1791 9.4224 129.6917 53.4033 44.3090 174.7209 27 R 5.2140 9.4652 127.6456 54.7727 32.8740 173.9918 28 Y 4.8912 8.9234 127.2751 56.1645 42.0166 175.2584 29 R 3.4130 9.2825 127.6813 57.2555 27.5265 177.4297 30 G 3.9810 8.0682 103.8872 45.5392 0.0000 173.2967 31 R 4.5576 7.6179 119.3788 54.6514 31.6381 174.9398 32 E 5.3182 8.5868 121.1521 54.4489 32.6088 175.1944 33 K 4.5844 9.1917 123.9235 55.0198 35.3823 174.9955 34 T 5.1593 8.3850 123.2226 62.3095 70.6700 174.0603 35 F 5.0386 9.2488 123.1067 55.9761 42.9455 174.0890 36 S 4.8327 8.8851 115.3927 58.4975 65.7321 173.4448 37 A 4.2368 7.1685 119.9384 51.0087 22.4007 175.2955 38 G 4.3349 8.1550 106.7113 44.5121 0.0000 171.4460 39 Y 5.2375 9.0518 121.0696 55.8153 40.7772 176.5023 40 E 4.0355 8.9890 123.3306 59.6344 30.8011 177.5407 41 R 4.7073 7.7465 117.6889 55.9718 33.2744 174.1339 42 T 3.5905 8.2216 120.5086 61.8043 71.5726 171.7496 43 T 4.9306 7.6671 108.7722 59.1500 72.2514 174.3173 44 N 4.2392 9.0825 119.9088 56.6617 38.5262 177.4551 45 N 4.0948 7.8984 117.1161 56.4650 38.5047 177.5533 46 R 3.8540 7.6435 118.7810 59.4335 30.0930 179.1021 47 M 4.0922 8.0006 118.6262 58.2360 31.6384 178.5765 48 E 4.0665 8.5334 119.2402 59.3756 29.5526 179.4702 49 L 3.8889 7.8545 118.8967 57.8729 41.6876 179.0256 50 M 3.7770 8.2867 118.3112 58.3270 31.9262 178.0690 51 A 3.4279 7.8965 120.6910 55.0543 18.6290 179.5522 52 A 3.9011 7.4477 119.0557 55.1056 18.3534 179.7518 53 I 3.5602 7.7714 118.4854 64.6752 37.0192 178.7646 54 V 3.3971 7.3946 117.3116 65.7423 31.7044 177.6211 55 A 3.3654 7.3847 120.1160 54.9619 18.2772 179.5969 56 L 3.7876 7.7027 117.3997 57.9513 41.5318 179.4290 57 E 4.1306 8.1618 116.3479 58.1835 29.4371 178.5294 58 A 4.2490 7.3506 120.0868 52.9887 18.6602 177.6821 59 L 4.0208 7.1587 118.3879 54.8211 41.8684 177.5155 60 K 4.2302 8.6053 123.4657 57.6770 32.6447 176.3420 61 E 4.7319 7.6420 114.6284 53.9039 32.7469 174.4808 62 H 4.2383 8.7691 119.4639 56.7524 30.2913 173.9010 63 C 4.9640 8.5234 122.7830 58.0180 33.2687 172.1926 64 E 4.8693 8.9116 119.7523 55.1065 30.9476 175.7651 65 V 4.6010 9.0621 124.8481 61.0337 34.8154 174.3666 66 I 4.4825 8.2353 128.6207 59.5661 38.8538 173.8320 67 L 4.3840 7.6666 129.9082 53.3733 43.5498 174.8937 68 S 5.1779 8.6355 122.0039 56.7564 64.7265 172.5892 69 T 5.0803 8.8583 120.7209 60.9210 71.0720 173.3365 70 D 5.4668 8.6883 124.7016 52.5784 40.1127 176.6223 71 S 4.3094 8.0584 115.7432 58.8448 63.2236 174.4712 72 H 4.1227 8.8141 126.9662 58.8192 28.6660 176.9745 73 Y 4.2899 8.1259 121.0028 60.9230 38.6394 178.3675 74 V 3.7137 8.0423 119.0836 65.8200 31.5633 177.6954 75 R 2.0000 7.4361 118.3769 58.8031 29.6367 178.5364 76 K 3.1619 7.7154 118.4118 58.8650 31.8441 179.5822 77 G 2.9137 7.1028 105.6362 47.6750 0.0000 175.8674 78 I 3.6295 7.3499 121.8662 63.3705 37.1851 177.8075 79 T 4.2416 7.2792 107.5859 61.9872 69.3280 175.0611 80 E 4.3138 7.8312 118.1176 55.0602 33.0361 176.5419 81 W 3.8797 7.0881 116.6982 58.1253 30.2122 177.8267 82 I 3.4694 6.9977 119.8533 64.7645 36.4237 177.4755 83 H 3.9266 7.9044 118.0294 59.5738 29.4867 176.8352 84 N 4.1742 7.6918 117.4166 55.8476 38.3194 177.2535 85 W 4.1604 7.6332 120.4148 59.6782 29.1118 178.5991 86 K 3.3746 7.5904 118.3173 59.3855 31.2867 179.6425 87 K 4.0476 7.4376 117.1593 58.5054 31.6727 178.5783 88 R 4.5449 7.4708 117.5681 54.7954 30.2794 176.5001 89 G 3.9769 8.4038 105.9300 46.7783 0.0000 174.4175 90 W 3.3549 8.2650 115.3227 55.5256 26.5805 174.8468 91 K 4.1029 7.5464 109.9871 55.3694 35.9897 174.8384 92 K 4.2198 8.0766 126.4039 56.1109 32.7220 177.7783 93 A 4.0374 8.4032 122.3955 55.4143 18.3070 178.4065 94 D 4.5172 8.0408 111.9423 53.4386 39.2144 177.1557 95 K 3.8873 7.7608 116.6274 57.0188 30.7979 176.1552 96 K 4.1965 8.2630 119.7593 55.3663 32.6129 175.1983 97 P 4.3440 0.0000 0.0000 62.3305 31.9374 176.0955 98 V 3.7515 7.9935 120.4047 61.4722 32.0658 175.7630 99 K 4.0698 8.4529 127.1959 57.8261 32.5272 176.3063 100 N 4.5585 9.3040 118.6817 53.6637 36.2835 176.8049 101 V 3.5847 7.4850 121.4186 64.9547 30.5757 177.2156 102 D 4.2177 7.9526 119.2938 56.3935 39.1842 178.3899 103 L 4.0566 7.7394 119.8337 56.8045 41.8415 179.1482 104 W 4.3680 8.3986 119.4149 59.7558 28.9870 178.7279 105 K 3.9765 8.0419 118.5644 59.2076 31.4201 179.4494 106 R 3.8883 7.7012 119.0609 59.2246 29.9015 178.4090 107 L 4.0030 8.3149 120.5266 58.2066 42.1694 178.3703 108 D 4.5378 8.6099 117.8806 57.2785 40.9451 178.1249 109 A 4.0046 8.0981 120.1892 55.2151 18.8110 179.1360 110 A 4.1190 8.0367 119.3104 55.3711 18.5450 179.8572 111 L 4.1667 8.5127 117.9747 57.8421 41.5396 179.6854 112 G 3.8625 8.0590 103.9477 46.6314 0.0000 174.5636 113 Q 4.4245 7.6158 118.2575 55.7145 29.2308 174.1926 114 H 4.9680 7.6166 115.9035 54.6731 34.0176 172.9963 115 Q 4.4490 8.7815 118.7331 55.0519 29.3985 175.1305 116 I 4.6008 8.1798 124.9542 59.3447 39.6573 175.7763 117 K 4.3479 8.6393 127.1295 54.1734 34.3562 175.0877 118 W 4.1325 8.5929 127.7120 56.2469 30.2175 175.9092 119 E 4.1697 8.8111 125.0140 54.0565 31.5640 174.7882 120 W 5.1501 8.2919 128.0562 56.2392 29.8235 176.4848 121 V 4.4676 8.7113 119.1961 59.5907 33.8013 175.8293 122 K 5.0150 8.9872 121.6317 52.3950 32.3132 174.3172 123 G 4.2144 8.0014 110.8227 44.5651 0.0000 171.2820 124 H 4.5793 8.7509 118.2506 57.1950 29.4397 175.6862 125 A 4.1015 7.9842 122.7810 53.6835 18.2680 177.4633 126 G 3.8791 9.3443 111.0823 46.0698 0.0000 173.4491 127 H 4.9819 8.2719 115.7003 52.3859 29.6392 171.9810 128 P 4.1891 0.0000 0.0000 65.9334 31.7443 178.2164 129 E 3.7438 7.8140 116.4479 59.3713 29.1661 179.1054 130 N 4.4845 8.0213 116.0180 56.4340 38.7328 177.1932 131 E 3.6496 7.9934 119.8840 59.0824 29.4404 179.3727 132 R 3.8664 7.8843 118.9073 59.6674 30.1430 178.4021 133 C 4.2272 8.2682 116.5672 62.8292 28.1189 175.6058 134 D 4.4343 8.1792 119.7737 57.3369 40.8196 177.9568 135 E 3.9798 8.2143 119.9243 59.1136 29.6379 178.7918 136 L 3.9740 8.1058 118.9822 57.6882 41.7266 179.3463 137 A 4.1390 8.2123 120.7287 55.3053 18.1308 179.9350 138 R 3.8919 7.9176 115.2276 59.2895 30.2837 178.8857 139 A 4.1051 8.1104 120.4277 55.1182 18.5170 179.5921 140 A 3.8773 8.1538 119.1139 55.1408 18.2001 179.7003 141 A 4.1858 7.9262 118.3572 55.3820 18.4376 179.4183 142 M 4.2209 7.6894 116.7450 57.2052 33.1949 176.4311 143 N 5.0628 7.7699 114.7278 51.0508 39.3039 173.2539 144 P 4.2731 0.0000 0.0000 63.3034 32.1639 176.8397 145 T 4.4148 8.3144 110.5423 61.0381 70.1196 173.2780 146 L 4.6532 7.5944 122.3253 52.8793 44.5089 174.5455 147 E 5.0209 8.4446 119.9446 54.6389 32.0658 175.7970 148 D 4.8440 8.6423 126.1506 52.7794 39.8967 176.4079 149 T 3.9768 8.3343 114.9373 63.8245 69.1030 176.3101 150 G 3.7729 7.6400 107.2729 45.6834 0.0000 172.8679 151 Y 4.4226 7.8004 122.2793 57.1003 38.4946 175.5884 152 Q 4.1014 8.3048 127.7414 54.4120 27.4774 176.7090 153 V 3.0001 7.4778 122.7054 64.6802 31.9046 176.5535 154 E 4.0335 7.1061 117.3655 56.3750 29.8934 177.0839 155 V 3.7699 8.1357 119.7146 63.2890 31.6216 175.9031 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 4.43 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 L 8.41 3.93 0.00 1.75 1.56 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.77 4.17 0.00 1.79 1.60 0.00 1.30 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.14 7.81 4 R 8.76 5.05 0.00 1.85 1.84 0.00 3.22 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 5 V 8.79 4.76 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 0.93 0.00 0.00 0.80 0.00 0.00 6 E 9.16 4.95 0.00 2.04 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 2.26 0.00 7 I 8.23 4.99 1.59 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.51 0.77 0.00 0.00 8 F 9.19 5.39 0.00 2.98 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 9 T 8.74 5.31 4.32 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 1.26 0.00 0.00 10 D 9.22 4.79 0.00 2.88 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 11 G 8.29 4.70 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 0.00 0.00 0.00 12 S 8.66 4.87 0.00 3.87 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 13 C 9.37 5.19 0.00 2.89 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 14 L 8.68 4.27 0.00 1.51 1.63 0.92 0.93 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 15 G 8.74 3.91 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 0.00 0.00 0.00 16 N 8.28 4.84 0.00 2.60 2.67 0.00 0.00 7.10 7.69 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 17 P 0.00 4.56 0.00 2.25 2.06 0.00 3.97 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 2.04 2.07 0.00 18 G 7.72 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 0.00 0.00 0.00 19 P 0.00 5.02 0.00 2.09 2.00 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 20 G 9.12 4.53 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 0.00 0.00 0.00 21 G 8.85 5.06 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 0.00 0.00 0.00 22 Y 8.06 5.55 0.00 3.19 3.21 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 23 G 9.79 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 24 A 9.68 5.59 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 25 I 9.08 5.07 2.09 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.89 1.02 0.00 0.00 26 L 9.42 5.18 0.00 1.92 1.80 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.47 5.21 0.00 2.01 1.93 0.00 3.13 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 28 Y 8.92 4.89 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.28 3.41 0.00 1.28 1.62 0.00 2.93 0.00 0.00 2.99 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 30 G 8.07 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 31 R 7.62 4.56 0.00 2.05 1.87 0.00 3.08 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 32 E 8.59 5.32 0.00 1.84 1.88 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 2.25 2.28 0.00 33 K 9.19 4.58 0.00 1.80 1.72 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.32 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.84 1.22 7.81 34 T 8.39 5.16 4.18 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 1.24 0.00 0.00 35 F 9.25 5.04 0.00 3.06 3.16 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 36 S 8.89 4.83 0.00 3.76 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 37 A 7.17 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.15 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 39 Y 9.05 5.24 0.00 2.88 2.88 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 40 E 8.99 4.04 0.00 2.00 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 2.35 2.29 0.00 41 R 7.75 4.71 0.00 1.86 1.90 0.00 3.40 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.72 0.00 42 T 8.22 3.59 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 1.10 0.00 0.00 43 T 7.67 4.93 4.18 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 0.94 0.00 0.00 44 N 9.08 4.24 0.00 2.70 3.05 0.00 0.00 7.39 6.43 0.00 0.00 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 N 7.90 4.09 0.00 2.36 1.80 0.00 0.00 7.10 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 46 R 7.64 3.85 0.00 1.80 1.80 0.00 3.32 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 47 M 8.00 4.09 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.76 0.00 48 E 8.53 4.07 0.00 2.25 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 0.00 2.41 2.64 0.00 49 L 7.85 3.89 0.00 1.71 1.44 0.20 -0.28 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 50 M 8.29 3.78 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.66 0.00 51 A 7.90 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.45 3.90 1.39 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 0.00 0.00 0.00 53 I 7.77 3.56 1.87 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 1.37 0.77 0.86 0.00 0.00 54 V 7.39 3.40 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 0.83 0.00 0.00 0.80 0.00 0.00 55 A 7.38 3.37 1.12 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 0.00 0.00 56 L 7.70 3.79 0.00 1.84 1.68 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.16 4.13 0.00 1.85 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 2.32 2.54 0.00 58 A 7.35 4.25 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 59 L 7.16 4.02 0.00 1.68 1.53 0.48 0.77 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 60 K 8.61 4.23 0.00 1.72 1.86 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.37 7.81 61 E 7.64 4.73 0.00 2.00 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 0.00 2.10 2.20 0.00 62 H 8.77 4.24 0.00 3.09 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.52 4.96 0.00 2.70 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 64 E 8.91 4.87 0.00 1.84 1.80 0.00 0.00 0.00 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 2.18 0.00 65 V 9.06 4.60 1.82 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 0.64 0.00 0.00 0.70 0.00 0.00 66 I 8.24 4.48 1.65 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 0.98 0.80 0.71 0.00 0.00 67 L 7.67 4.38 0.00 0.84 0.34 0.15 0.80 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 68 S 8.64 5.18 0.00 3.61 3.22 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 69 T 8.86 5.08 4.46 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 0.00 0.00 0.00 1.70 0.00 0.00 70 D 8.69 5.47 0.00 2.90 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 71 S 8.06 4.31 0.00 4.07 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 72 H 8.81 4.12 0.00 3.26 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.13 4.29 0.00 3.15 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 74 V 8.04 3.71 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 1.09 0.00 0.00 1.02 0.00 0.00 75 R 7.44 2.00 0.00 1.01 1.45 0.00 2.69 0.00 0.00 2.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.00 76 K 7.72 3.16 0.00 0.79 0.74 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.97 1.17 7.81 77 G 7.10 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 0.00 0.00 0.00 78 I 7.35 3.63 1.46 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 -0.25 0.48 0.00 0.00 79 T 7.28 4.24 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 1.16 0.00 0.00 80 E 7.83 4.31 0.00 1.24 1.57 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 1.97 1.88 0.00 81 W 7.09 3.88 0.00 1.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.00 3.47 1.73 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.36 0.99 0.00 0.00 83 H 7.90 3.93 0.00 3.09 3.16 0.00 5.87 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 84 N 7.69 4.17 0.00 2.52 2.67 0.00 0.00 7.04 7.68 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 85 W 7.63 4.16 0.00 2.71 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 0.00 0.00 0.00 86 K 7.59 3.37 0.00 1.72 1.77 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.23 7.81 87 K 7.44 4.05 0.00 1.69 1.79 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 88 R 7.47 4.54 0.00 1.76 2.05 0.00 3.27 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 89 G 8.40 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 90 W 8.27 3.35 0.00 3.38 3.21 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 91 K 7.55 4.10 0.00 1.76 1.66 0.00 1.95 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.42 7.81 92 K 8.08 4.22 0.00 2.15 1.76 0.00 2.08 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.60 7.81 93 A 8.40 4.04 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 94 D 8.04 4.52 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 95 K 7.76 3.89 0.00 1.95 1.98 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.54 7.81 96 K 8.26 4.20 0.00 1.95 1.71 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.56 7.81 97 P 0.00 4.34 0.00 2.01 1.96 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 98 V 7.99 3.75 1.88 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 -0.18 0.00 0.00 0.43 0.00 0.00 99 K 8.45 4.07 0.00 1.89 1.86 0.00 1.97 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 100 N 9.30 4.56 0.00 3.19 2.92 0.00 0.00 7.35 7.68 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 0.00 101 V 7.48 3.58 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.48 0.00 0.00 102 D 7.95 4.22 0.00 2.83 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 0.00 103 L 7.74 4.06 0.00 1.50 1.55 0.81 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.40 4.37 0.00 3.39 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 0.00 105 K 8.04 3.98 0.00 1.59 1.62 0.00 1.17 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.39 7.81 106 R 7.70 3.89 0.00 1.98 2.04 0.00 3.07 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 107 L 8.31 4.00 0.00 1.87 1.99 1.07 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.61 4.54 0.00 3.30 3.07 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 0.00 0.00 0.00 109 A 8.10 4.00 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 0.00 110 A 8.04 4.12 1.39 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 0.00 0.00 0.00 111 L 8.51 4.17 0.00 2.04 1.92 1.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.06 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 0.00 113 Q 7.62 4.42 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 114 H 7.62 4.97 0.00 2.95 3.26 0.00 5.64 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 0.00 115 Q 8.78 4.45 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 116 I 8.18 4.60 1.74 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 0.94 0.19 -0.10 0.00 0.00 117 K 8.64 4.35 0.00 1.63 1.48 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.18 1.30 7.81 118 W 8.59 4.13 0.00 2.63 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.81 4.17 0.00 1.75 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 2.15 2.19 0.00 120 W 8.29 5.15 0.00 3.26 3.05 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 0.00 121 V 8.71 4.47 1.84 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 0.78 0.00 0.00 1.00 0.00 0.00 122 K 8.99 5.01 0.00 1.84 1.80 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.46 7.81 123 G 8.00 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 0.00 0.00 0.00 0.00 124 H 8.75 4.58 0.00 3.25 3.68 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.98 4.10 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 G 9.34 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 0.00 127 H 8.27 4.98 0.00 3.33 3.51 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.19 0.00 2.04 2.05 0.00 3.55 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 129 E 7.81 3.74 0.00 1.16 1.12 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 1.47 2.00 0.00 130 N 8.02 4.48 0.00 3.09 3.02 0.00 0.00 7.15 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 0.00 131 E 7.99 3.65 0.00 1.87 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 2.16 2.59 0.00 132 R 7.88 3.87 0.00 2.09 1.97 0.00 3.11 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 133 C 8.27 4.23 0.00 3.30 3.21 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 0.00 134 D 8.18 4.43 0.00 3.07 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 0.00 135 E 8.21 3.98 0.00 2.25 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 2.30 2.35 0.00 136 L 8.11 3.97 0.00 1.97 1.73 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.21 4.14 1.52 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 0.00 0.00 138 R 7.92 3.89 0.00 1.82 2.02 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 139 A 8.11 4.11 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 0.00 140 A 8.15 3.88 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 0.00 141 A 7.93 4.19 1.39 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 0.00 0.00 0.00 142 M 7.69 4.22 0.00 1.94 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.57 0.00 143 N 7.77 5.06 0.00 2.65 2.68 0.00 0.00 7.02 7.43 0.00 0.00 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 P 0.00 4.27 0.00 2.17 2.15 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 145 T 8.31 4.41 4.18 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 1.22 0.00 0.00 146 L 7.59 4.65 0.00 0.96 1.30 0.56 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.44 5.02 0.00 1.93 1.86 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 2.27 2.32 0.00 148 D 8.64 4.84 0.00 2.66 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 0.00 149 T 8.33 3.98 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 1.30 0.00 0.00 150 G 7.64 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 0.00 0.00 0.00 151 Y 7.80 4.42 0.00 3.05 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 0.00 152 Q 8.30 4.10 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 153 V 7.48 3.00 1.91 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 0.74 0.00 0.00 0.76 0.00 0.00 154 E 7.11 4.03 0.00 1.94 1.82 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 2.29 2.23 0.00 155 V 8.14 3.77 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 0.74 0.00 0.00 0.92 0.00 0.00