NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1346 8.0549 114.0558 60.7531 33.0357 175.2556 2 L 3.8672 8.1847 123.9419 52.6841 42.0807 176.1586 3 S 4.5094 9.5002 118.2566 57.7382 66.2535 174.8664 4 E 4.2391 8.7560 121.5202 59.3514 29.3217 178.6181 5 G 3.6669 8.1195 105.3764 47.8648 0.0000 175.3296 6 E 3.9022 8.3402 121.0594 58.9986 29.3853 179.4653 7 W 4.4043 8.3971 119.3287 59.7909 29.2126 178.2665 8 Q 4.0820 8.5008 119.6230 59.3332 28.3751 178.4987 9 L 4.1036 8.0432 120.0084 57.6194 41.5325 179.5908 10 V 3.7346 7.9243 118.2148 66.3198 31.6717 178.2764 11 L 4.1923 8.5334 118.7335 57.6614 41.1597 179.1495 12 H 4.1509 8.0551 117.6032 59.4245 30.1780 177.4698 13 V 3.7638 7.8533 114.1518 63.9480 31.3992 178.3103 14 W 3.9426 8.7795 128.3568 60.3019 30.2322 177.8513 15 A 4.0557 7.8568 119.9336 54.6790 18.0018 179.5020 16 K 3.8960 7.7752 117.4622 59.4831 32.1323 179.4601 17 V 2.8949 7.2801 117.9348 65.8158 30.8887 177.0004 18 E 4.0340 7.4285 115.0537 57.0957 29.4891 177.6060 19 A 4.3104 7.3026 120.4213 51.4773 20.5050 176.5628 20 D 4.6190 7.4219 114.1609 52.7290 44.1934 177.0629 21 V 3.4437 7.1575 122.5431 65.8183 32.0486 176.6604 22 A 4.0239 7.9525 120.2195 55.1273 18.4383 179.5522 23 G 3.5548 8.2790 103.9865 48.3120 0.0000 175.4397 24 H 4.1437 8.1120 118.5166 58.3934 28.6424 178.1078 25 G 3.5522 8.3927 107.8163 48.0444 0.0000 175.1665 26 Q 3.8747 8.0104 120.5940 59.0509 28.7801 178.9971 27 D 4.2887 7.9929 118.9045 57.5869 40.9917 179.1913 28 I 3.6227 7.7689 120.0081 64.5212 37.1708 178.5838 29 L 3.4418 7.8292 119.7366 57.6042 41.2424 179.7186 30 I 3.6902 7.7904 120.1182 64.1864 36.9302 178.4964 31 R 3.8191 7.9566 119.7477 59.0486 29.9056 178.2655 32 L 3.9482 7.8398 120.2917 58.2710 41.7209 179.0425 33 F 4.6705 7.9061 117.6779 60.2467 38.6004 178.1629 34 K 4.0540 8.1495 117.7324 59.6719 32.0352 179.3733 35 S 4.2723 8.0188 114.1470 60.3916 64.1626 174.4740 36 H 4.6765 8.0516 118.4671 51.8715 29.2087 171.7862 37 P 4.6954 0.0000 0.0000 64.5701 31.6040 177.4293 38 E 4.1484 8.2378 115.9291 59.1993 29.3878 179.1015 39 T 3.9164 8.2979 111.7812 64.5525 68.9341 176.4362 40 L 3.7211 7.8951 123.0244 57.6357 41.7987 178.6152 41 E 4.0984 7.6870 116.5946 58.9813 29.4224 178.8114 42 K 4.3976 7.9816 117.0550 56.8388 32.5376 176.7546 43 F 4.6123 8.1435 119.1674 55.5028 39.0089 175.9599 44 D 4.4427 8.7689 127.2101 57.2233 40.7384 178.6398 45 R 4.0082 7.7614 113.3759 57.4492 30.0118 176.7374 46 F 5.0684 7.6694 115.4382 56.8740 40.8143 176.8082 47 K 3.8009 8.1028 120.6177 59.6705 31.9011 177.2807 48 H 4.4496 8.2052 111.2716 56.0059 29.0411 175.0011 49 L 4.1846 7.7141 121.8529 54.2758 41.3725 176.3490 50 K 4.2494 9.6305 124.7626 57.3664 33.3210 177.6467 51 T 4.6004 7.5268 108.0414 59.4562 72.5925 174.8027 52 E 3.8699 8.5483 121.0834 59.2572 29.3896 178.4430 53 A 3.9432 7.9234 119.2455 55.2935 18.7696 178.7434 54 E 4.0657 8.1686 116.8643 60.0899 29.6825 179.6921 55 M 4.0211 8.1460 118.3699 58.4282 31.8204 179.0203 56 K 3.9727 8.4405 117.4892 58.7431 32.2365 178.1380 57 A 4.5969 7.5185 118.5477 50.8940 19.3199 176.5571 58 S 4.4805 7.5024 114.1715 56.9505 62.9477 174.5450 59 E 4.0022 8.8183 129.3147 59.1277 29.5237 178.0555 60 D 4.3792 8.1095 117.8079 57.2999 41.4719 177.5653 61 L 3.5799 7.9865 120.8499 58.2040 42.0992 178.9428 62 K 3.9354 7.8990 118.8314 59.4009 32.0083 178.9321 63 K 4.0803 8.2619 119.0728 59.4145 31.9722 178.5264 64 H 4.5737 8.3477 118.0533 58.1830 29.7388 177.6665 65 G 3.4528 7.9917 108.0776 47.7456 0.0000 175.4695 66 V 3.5877 7.5088 121.0553 66.1879 31.4162 177.8475 67 T 3.8853 7.6619 114.5432 66.8659 68.4071 176.5600 68 V 3.6006 7.7011 119.5584 66.2130 31.6461 178.1213 69 L 4.2642 8.3268 119.0104 58.0845 41.3886 179.7112 70 T 4.0103 8.5021 116.0904 66.4064 67.8502 176.5366 71 A 3.9592 8.0137 122.6979 55.1411 18.3897 179.3869 72 L 3.7151 8.0439 118.9143 58.1893 42.1192 179.2540 73 G 3.2951 8.6404 105.7395 47.8219 0.0000 175.4579 74 A 4.0184 7.7726 121.8655 54.5341 18.7162 179.4363 75 I 3.8811 7.1220 117.7654 64.0328 37.3535 178.2778 76 L 3.9047 7.7124 120.0522 57.7852 41.3092 179.6074 77 K 3.9908 7.6358 115.7343 58.2086 32.1795 178.4001 78 K 4.0062 7.7220 118.2162 55.5172 32.9333 176.2766 79 K 2.0000 8.7072 118.6478 56.3852 29.6987 175.6553 80 G 3.9001 7.8721 105.6134 45.5928 0.0000 173.4725 81 H 4.6497 7.4469 119.0704 55.4416 27.8433 174.8725 82 H 5.0667 7.3331 110.7727 54.6587 29.6293 176.4022 83 E 3.9582 8.5485 121.8559 60.4635 28.9730 179.0958 84 A 4.1550 7.9312 118.0045 54.5349 18.9813 178.7823 85 E 4.1570 8.0671 116.6709 58.4467 29.8487 178.0898 86 L 4.3654 7.9140 119.9039 56.4477 42.5680 178.3655 87 K 3.9006 7.8021 119.6449 59.1866 32.1888 176.8887 88 P 4.2797 0.0000 0.0000 65.3968 31.2900 178.3638 89 L 4.0390 7.9513 118.4288 58.2263 42.1703 178.7854 90 A 4.1706 8.1423 120.7143 55.2557 18.3320 179.6318 91 Q 3.8541 7.9890 116.1839 59.1181 28.7973 179.0152 92 S 3.9700 7.9012 113.6787 61.6001 62.4845 175.8882 93 H 4.3965 8.4490 118.5412 58.1300 28.1811 177.6453 94 A 3.1299 7.5800 122.4466 54.7824 18.4562 179.2155 95 T 3.5237 7.1835 106.3870 62.9381 69.3652 175.6066 96 K 4.1485 7.4368 120.6412 58.1538 33.1910 176.8385 97 H 4.3773 8.1950 114.2194 55.9647 29.3819 175.1457 98 K 3.5642 7.7077 116.6250 57.3752 28.4496 176.8350 99 I 4.2314 7.9925 120.3060 58.6917 38.0654 174.8964 100 P 4.6505 0.0000 0.0000 62.5060 31.9291 177.5128 101 I 3.4582 8.8926 120.9447 64.3637 36.8708 178.4507 102 K 3.6179 8.0094 119.9293 60.0540 31.7747 178.1044 103 Y 3.8605 7.7218 116.0835 60.6563 37.7565 178.1988 104 L 4.1191 8.2493 120.7938 57.3817 41.6619 178.8324 105 E 3.9328 8.0040 118.9491 59.3332 29.6187 178.5979 106 F 4.4365 7.5666 117.5848 60.9175 39.0561 177.5823 107 I 3.7781 8.0966 118.0049 64.0237 37.7724 177.6998 108 S 4.2220 8.2677 116.2566 62.2082 62.7944 176.9368 109 E 4.1289 8.4191 120.2610 58.9481 29.1441 179.3170 110 A 4.0533 7.9761 121.1982 54.9778 18.3981 179.6316 111 I 3.6760 7.8840 118.3262 64.6934 37.2375 178.6575 112 I 3.8399 7.9690 120.5420 64.6423 36.9466 177.8596 113 H 4.0745 8.4204 119.0047 59.4510 29.7082 177.5243 114 V 3.5665 7.9835 119.9294 65.8285 31.3470 177.8206 115 L 3.6998 7.9711 119.0102 57.8671 41.0991 178.8619 116 H 4.1570 7.7809 116.7903 59.6706 29.9401 177.0933 117 S 4.1949 7.7471 115.2951 61.3955 62.7175 176.3369 118 R 4.1781 7.5884 118.9436 57.0925 31.2685 176.3260 119 H 5.0104 7.9326 116.1352 53.7250 29.8924 172.8894 120 P 4.1418 0.0000 0.0000 66.1779 31.2165 179.0444 121 G 3.6111 8.1360 106.9616 47.0241 0.0000 173.5310 122 D 4.8361 7.9470 117.5084 54.2219 42.1749 176.0002 123 F 5.0192 8.1759 121.0585 56.7695 39.3835 174.1777 124 G 3.8407 7.6965 109.2363 44.0525 0.0000 172.1861 125 A 3.8617 8.5586 121.2599 55.4247 18.1449 179.5797 126 D 4.2151 7.9337 116.6855 56.4814 39.5096 178.5972 127 A 3.9170 7.7119 121.7309 54.7183 18.5061 179.0822 128 Q 3.3424 7.5436 117.0672 59.1830 28.8252 180.0152 129 G 3.5275 8.2880 106.4363 47.5108 0.0000 175.6788 130 A 3.8618 7.6762 122.7001 55.1625 18.4310 179.4072 131 M 4.0106 8.3367 117.1460 58.6746 32.3512 177.8159 132 N 4.3128 8.2509 117.2116 56.8503 39.1447 176.9859 133 K 3.9182 8.0796 119.4851 59.3002 32.0260 179.2735 134 A 3.8511 7.8188 121.1364 55.0447 18.3897 179.6534 135 L 4.1689 8.1507 117.2049 57.3832 41.5988 179.6149 136 E 3.9701 8.3362 119.1801 59.0904 29.5545 178.5863 137 L 3.9419 7.9091 120.4740 58.3255 42.1244 178.4482 138 F 4.2638 8.2337 120.6562 61.7679 39.1853 177.3672 139 R 3.6670 7.9798 114.4157 58.1831 29.2541 178.3705 140 K 3.8740 7.9283 120.3735 59.1556 32.3294 177.9703 141 D 4.5273 7.9397 118.7460 56.6846 40.9100 178.7176 142 I 3.5061 7.4703 120.1347 64.3988 37.0082 178.2670 143 A 3.6743 7.9245 121.3484 55.0791 18.0877 179.5427 144 A 3.9507 7.7753 119.3429 54.9465 18.3916 180.0944 145 K 4.0066 7.8687 116.9257 59.6641 32.2119 178.8262 146 Y 4.1579 8.3741 117.2500 61.0660 37.9361 178.7245 147 K 3.9408 8.4672 120.6184 59.4393 32.0898 177.9639 148 E 3.9424 7.9012 118.3816 59.6884 29.6288 178.6492 149 L 4.3679 7.8784 115.4916 55.4921 41.8705 177.8942 150 G 3.8358 7.9540 106.8252 45.8159 0.0000 173.5477 151 Y 4.2584 8.0208 114.4195 56.8979 38.3358 174.8987 152 Q 3.9910 8.2213 121.7850 59.3384 29.0653 176.9819 153 G 3.4930 9.1595 113.5341 45.1539 0.0000 172.1201 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 V 8.05 4.13 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 0.93 0.00 0.00 0.95 0.00 0.00 2 L 8.18 3.87 0.00 0.72 0.80 0.52 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.50 4.51 0.00 4.02 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 4 E 8.76 4.24 0.00 2.18 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 0.00 2.43 2.52 0.00 5 G 8.12 3.67 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 0.00 0.00 0.00 6 E 8.34 3.90 0.00 2.05 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 2.20 2.26 0.00 7 W 8.40 4.40 0.00 3.56 3.20 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 8 Q 8.50 4.08 0.00 2.45 2.31 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 2.53 0.00 9 L 8.04 4.10 0.00 1.95 1.75 1.01 0.88 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 10 V 7.92 3.73 2.50 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 1.30 0.00 0.00 0.91 0.00 0.00 11 L 8.53 4.19 0.00 1.85 1.81 0.93 1.18 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 12 H 8.06 4.15 0.00 3.37 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.85 3.76 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 0.94 0.00 0.00 1.29 0.00 0.00 14 W 8.78 3.94 0.00 3.61 3.26 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 15 A 7.86 4.06 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 16 K 7.78 3.90 0.00 1.43 1.51 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.46 1.40 7.81 17 V 7.28 2.89 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 0.00 0.00 -0.04 0.00 0.00 0.33 0.00 0.00 18 E 7.43 4.03 0.00 2.05 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 2.11 2.29 0.00 19 A 7.30 4.31 1.25 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 0.00 0.00 20 D 7.42 4.62 0.00 2.71 2.52 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 21 V 7.16 3.44 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 1.03 0.00 0.00 0.85 0.00 0.00 22 A 7.95 4.02 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 8.28 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 8.11 4.14 0.00 3.20 3.23 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 8.39 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 26 Q 8.01 3.87 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 27 D 7.99 4.29 0.00 2.76 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 28 I 7.77 3.62 1.99 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 1.50 0.72 0.88 0.00 0.00 29 L 7.83 3.44 0.00 1.43 0.92 0.74 0.59 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 30 I 7.79 3.69 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.88 0.00 0.00 31 R 7.96 3.82 0.00 1.86 2.11 0.00 3.08 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 32 L 7.84 3.95 0.00 1.69 1.45 1.05 0.93 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 33 F 7.91 4.67 0.00 3.01 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 34 K 8.15 4.05 0.00 1.78 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.64 7.81 35 S 8.02 4.27 0.00 3.72 3.68 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 36 H 8.05 4.68 0.00 2.97 3.13 0.00 5.64 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 37 P 0.00 4.70 0.00 2.14 2.11 0.00 3.82 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 2.08 2.15 0.00 38 E 8.24 4.15 0.00 2.29 2.29 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 2.29 2.56 0.00 39 T 8.30 3.92 4.43 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 0.00 0.00 0.00 0.93 0.00 0.00 40 L 7.90 3.72 0.00 1.44 1.76 -0.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.69 4.10 0.00 2.33 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 2.54 0.00 42 K 7.98 4.40 0.00 1.82 1.65 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.67 1.88 7.81 43 F 8.14 4.61 0.00 3.17 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 44 D 8.77 4.44 0.00 2.62 2.73 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 45 R 7.76 4.01 0.00 1.67 1.78 0.00 2.41 0.00 0.00 2.54 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 46 F 7.67 5.07 0.00 2.84 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 47 K 8.10 3.80 0.00 1.80 1.94 0.00 1.71 0.00 0.00 2.08 0.00 0.00 3.18 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.57 7.81 48 H 8.21 4.45 0.00 3.29 3.44 0.00 5.52 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 49 L 7.71 4.18 0.00 1.65 1.60 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.63 4.25 0.00 1.82 1.84 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.49 7.81 51 T 7.53 4.60 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 52 E 8.55 3.87 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 2.36 2.36 0.00 53 A 7.92 3.94 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 54 E 8.17 4.07 0.00 2.20 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 2.34 2.36 0.00 55 M 8.15 4.02 0.00 2.05 2.10 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 2.94 2.57 0.00 56 K 8.44 3.97 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.56 7.81 57 A 7.52 4.60 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 58 S 7.50 4.48 0.00 3.92 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 59 E 8.82 4.00 0.00 2.14 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 2.40 2.45 0.00 60 D 8.11 4.38 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 61 L 7.99 3.58 0.00 1.46 1.67 -0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.90 3.94 0.00 1.82 1.97 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.26 4.08 0.00 2.14 1.92 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.48 7.81 64 H 8.35 4.57 0.00 3.63 3.58 0.00 5.78 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 7.99 3.45 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 0.00 66 V 7.51 3.59 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 67 T 7.66 3.89 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 1.28 0.00 0.00 68 V 7.70 3.60 2.21 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 1.10 0.00 0.00 1.00 0.00 0.00 69 L 8.33 4.26 0.00 1.84 1.82 0.85 0.85 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 70 T 8.50 4.01 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 1.26 0.00 0.00 71 A 8.01 3.96 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.04 3.72 0.00 1.64 1.71 0.13 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.64 3.30 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 0.00 74 A 7.77 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.12 3.88 1.82 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 1.52 1.20 0.90 0.00 0.00 76 L 7.71 3.90 0.00 1.25 1.45 -0.23 1.09 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 77 K 7.64 3.99 0.00 1.64 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.52 7.81 78 K 7.72 4.01 0.00 1.66 1.74 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.51 1.58 7.81 79 K 8.71 2.00 0.00 1.07 0.74 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.47 0.82 7.81 80 G 7.87 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 81 H 7.45 4.65 0.00 3.13 3.23 0.00 5.82 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 82 H 7.33 5.07 0.00 3.27 3.45 0.00 5.67 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 83 E 8.55 3.96 0.00 2.10 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 0.00 2.43 2.51 0.00 84 A 7.93 4.15 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 85 E 8.07 4.16 0.00 2.24 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 2.37 2.42 0.00 86 L 7.91 4.37 0.00 1.87 1.66 0.82 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.80 3.90 0.00 2.01 1.81 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.65 7.81 88 P 0.00 4.28 0.00 2.23 2.11 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 89 L 7.95 4.04 0.00 1.79 1.87 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.14 4.17 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 91 Q 7.99 3.85 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 92 S 7.90 3.97 0.00 3.84 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 93 H 8.45 4.40 0.00 3.54 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 7.58 3.13 0.18 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 0.00 0.00 0.00 95 T 7.18 3.52 4.07 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 0.89 0.00 0.00 96 K 7.44 4.15 0.00 1.57 1.69 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.11 1.34 7.81 97 H 8.20 4.38 0.00 2.99 3.18 0.00 5.83 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.71 3.56 0.00 1.88 1.88 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.38 7.81 99 I 7.99 4.23 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 1.10 0.00 0.00 100 P 0.00 4.65 0.00 1.93 2.00 0.00 2.97 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.40 0.00 101 I 8.89 3.46 1.75 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.74 0.00 0.00 102 K 8.01 3.62 0.00 1.74 1.66 0.00 1.61 0.00 0.00 1.79 0.00 0.00 3.22 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 0.86 7.81 103 Y 7.72 3.86 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.25 4.12 0.00 1.79 1.67 0.55 0.74 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 0.00 105 E 8.00 3.93 0.00 1.95 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 2.44 2.45 0.00 106 F 7.57 4.44 0.00 3.13 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 0.00 107 I 8.10 3.78 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.39 1.08 0.00 0.00 108 S 8.27 4.22 0.00 4.21 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.42 4.13 0.00 2.29 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 0.00 2.59 2.59 0.00 110 A 7.98 4.05 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 I 7.88 3.68 2.13 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 1.59 0.93 1.04 0.00 0.00 112 I 7.97 3.84 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.73 1.13 0.00 0.00 113 H 8.42 4.07 0.00 3.44 3.50 0.00 5.78 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 0.00 114 V 7.98 3.57 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 0.86 0.00 0.00 0.98 0.00 0.00 115 L 7.97 3.70 0.00 1.12 0.39 0.78 1.01 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 0.00 116 H 7.78 4.16 0.00 3.49 3.53 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.75 4.19 0.00 3.82 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 0.00 118 R 7.59 4.18 0.00 1.49 1.52 0.00 2.62 0.00 0.00 2.74 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 119 H 7.93 5.01 0.00 3.19 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.74 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 4.14 0.00 2.20 2.30 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 121 G 8.14 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 0.00 122 D 7.95 4.84 0.00 2.78 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 0.00 123 F 8.18 5.02 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.70 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 0.00 125 A 8.56 3.86 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 7.93 4.22 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.71 3.92 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 0.00 128 Q 7.54 3.34 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 129 G 8.29 3.53 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 0.00 130 A 7.68 3.86 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.34 4.01 0.00 2.40 2.47 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.91 0.00 132 N 8.25 4.31 0.00 2.95 2.93 0.00 0.00 7.23 5.85 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 0.00 133 K 8.08 3.92 0.00 1.86 1.68 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.62 7.81 134 A 7.82 3.85 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 0.00 135 L 8.15 4.17 0.00 1.77 1.83 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.34 3.97 0.00 2.17 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 2.65 0.00 137 L 7.91 3.94 0.00 1.90 1.99 1.02 1.11 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 0.00 138 F 8.23 4.26 0.00 3.08 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 0.00 139 R 7.98 3.67 0.00 1.95 2.38 0.00 2.78 0.00 0.00 3.01 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 140 K 7.93 3.87 0.00 1.86 2.05 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.45 7.81 141 D 7.94 4.53 0.00 2.99 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.47 3.51 1.54 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.05 0.28 0.00 0.00 143 A 7.92 3.67 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 0.00 144 A 7.78 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.87 4.01 0.00 2.12 1.95 0.00 1.59 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.61 7.81 146 Y 8.37 4.16 0.00 3.10 3.04 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 0.00 147 K 8.47 3.94 0.00 1.98 1.98 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.90 3.94 0.00 2.05 2.26 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 2.37 2.41 0.00 149 L 7.88 4.37 0.00 1.80 1.92 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.95 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 0.00 151 Y 8.02 4.26 0.00 2.60 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 0.00 152 Q 8.22 3.99 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.22 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 153 G 9.16 3.49 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 0.00