NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2985 8.2644 123.5827 52.1526 20.0418 177.3585 3 R 4.0280 8.1588 121.3479 57.6465 30.8956 174.3686 4 R 4.3596 8.1624 115.4756 57.3353 32.6458 174.9007 5 R 4.5498 7.4930 116.7745 53.9838 32.3374 176.0038 6 R 3.6251 8.8400 125.2025 57.1729 30.3009 176.2934 7 A 3.8501 8.3150 121.6931 51.9812 18.4275 176.3514 8 E 4.7181 8.1644 115.1468 54.4618 32.4578 175.8735 9 V 3.7206 8.3005 115.5954 61.5032 32.2415 176.1461 10 R 4.2081 8.4170 123.4294 55.9344 30.8062 175.9689 11 Q 4.7236 8.3965 120.2340 54.1736 31.5830 174.2606 12 L 4.8816 7.8725 118.4189 52.8543 45.8889 176.3265 13 Q 4.1408 8.3539 118.3382 55.1577 29.1346 175.1915 14 P 4.3821 0.0000 0.0000 62.7191 30.7024 175.2599 15 D 4.2040 8.9342 122.7987 52.2200 41.1033 177.1037 16 L 4.4953 8.7973 123.3762 55.9861 43.0792 176.8599 17 V 4.2720 8.0134 120.0092 62.7977 31.1188 178.6690 18 Y 3.9301 9.5023 116.2014 59.5880 37.6605 176.8768 19 G 4.0380 8.3602 106.8057 45.6099 0.0000 172.4344 20 D 5.0247 8.0015 117.0249 52.1606 44.5474 176.3050 21 V 4.7000 8.3379 115.0535 62.0258 33.3453 178.2268 22 L 3.9179 8.0977 120.2634 59.2541 39.6465 179.8126 23 V 3.5061 7.9561 112.9289 64.0017 31.2792 178.2996 24 T 3.9502 8.3398 116.0321 66.7383 68.3555 175.7782 25 A 3.9525 7.9600 121.7002 55.3421 17.9080 178.9147 26 F 3.9923 7.9218 118.4179 61.8740 39.3013 177.3635 27 I 3.6080 8.3175 118.8615 63.8840 37.0522 176.9965 28 N 4.6882 8.3654 115.8950 53.2990 39.0081 176.1777 29 K 4.2795 8.7223 119.3871 57.0024 32.5076 177.0676 30 I 4.0277 7.0804 118.8886 61.8239 38.9309 175.9712 31 M 3.8006 7.0107 118.4356 56.0324 32.1886 176.1264 32 R 4.2139 8.4065 122.3698 59.3298 30.3686 173.6751 33 D 4.7361 8.8847 122.8385 53.0565 39.9844 175.0890 34 G 3.8285 8.2428 107.1502 46.4728 0.0000 175.9373 35 K 4.3664 7.9406 121.9608 55.8609 29.0656 178.2641 36 K 4.0431 7.7802 119.5489 59.1574 32.4457 177.3531 37 N 4.4119 8.2156 118.9732 56.9927 38.6500 176.0757 38 L 3.7977 7.7560 119.6919 59.1003 40.8451 178.9195 39 A 3.8833 7.6925 121.8028 54.7260 17.6045 178.6574 40 A 3.5847 8.6277 120.0071 56.0535 18.2809 179.8202 41 R 3.8841 8.0927 114.3895 60.1443 30.1483 180.8088 42 I 3.4757 7.7231 118.6705 64.2235 37.3834 177.1311 43 F 4.4956 8.5445 121.8168 60.6154 39.3623 176.9542 44 Y 4.2968 8.3879 115.1812 61.2297 37.9568 179.0226 45 D 4.3990 8.8157 119.9026 57.2444 40.8321 178.5457 46 A 4.1448 7.8668 117.4603 53.8025 17.9838 177.6832 47 C 4.4125 8.2704 115.6472 62.0768 30.0308 177.7713 48 K 4.5209 7.8727 118.6191 56.2807 31.4989 178.2562 49 I 4.6557 8.1094 117.0256 59.2218 38.4402 175.2219 50 I 4.7678 6.8681 125.3780 61.8018 40.1902 175.5556 51 Q 5.2777 7.2442 118.1120 54.2382 30.3639 175.8508 52 E 4.6855 8.1777 116.0055 56.6510 35.7395 175.9595 53 K 4.4919 7.9190 114.9758 56.0745 33.8103 174.9587 54 T 4.4093 7.1783 108.0882 61.4399 71.0227 172.7645 55 G 4.4018 8.3968 108.2120 45.1347 0.0000 173.6452 56 Q 4.2967 7.8268 117.9430 53.3703 31.6582 175.3868 57 E 4.1988 9.2811 120.6193 55.3779 29.8857 176.9764 58 P 4.7113 0.0000 0.0000 62.9889 28.6236 174.7245 59 L 4.8052 8.0098 125.3851 56.9533 44.4514 177.6165 60 K 4.3330 7.9098 117.5439 58.4201 32.3331 177.3198 61 V 3.6805 8.0109 118.9503 65.2275 31.1622 176.8980 62 F 3.8589 8.3042 118.8662 60.6669 39.6546 177.7710 63 K 3.6948 8.5491 110.8823 60.3330 31.6762 178.3529 64 Q 4.1969 5.9332 124.8734 61.0375 29.0751 178.1989 65 A 4.2202 8.6568 123.1812 52.8287 18.3577 179.4103 66 V 3.9102 8.3971 115.1563 65.7663 31.9129 178.6654 67 E 4.1247 8.0158 115.2453 58.7696 29.4031 178.0513 68 N 4.5388 9.2026 119.6120 56.3603 39.1365 176.6059 69 V 4.0458 7.6408 117.2802 63.5968 31.6178 175.7545 70 K 4.3631 7.5320 118.1077 54.9814 31.4491 174.8018 71 P 4.8209 0.0000 0.0000 62.3493 31.0706 177.4245 72 R 4.5892 8.8853 119.6537 57.2681 29.5523 176.0550 73 M 4.5570 7.2182 116.7298 55.2621 36.5894 173.2254 74 E 4.7501 8.3604 121.8311 55.1411 34.0614 173.6904 75 V 5.4230 8.1927 118.5033 60.7737 34.1132 174.2817 76 R 4.6640 7.9617 122.9275 54.5106 35.3150 174.0878 77 S 4.9590 8.3117 115.1396 57.4439 64.4144 172.6743 78 R 4.4635 7.7006 117.8092 56.0444 32.8570 172.9748 79 R 5.5285 8.6704 125.4718 54.2534 32.4660 174.2121 80 V 4.4421 8.4648 120.0619 63.2969 30.8971 176.4998 81 G 4.1293 9.6206 105.6587 45.0361 0.0000 173.2082 82 G 4.5189 8.1552 106.0183 45.3778 0.0000 172.7585 83 A 4.0298 6.5654 119.2915 51.4206 23.5524 174.6970 84 N 5.3673 8.0938 109.2016 51.2063 35.9412 173.1004 85 Y 4.2111 7.2283 122.5743 58.4893 39.1730 175.3518 86 Q 4.3222 8.6204 122.9937 56.8639 30.2174 176.3831 87 V 4.6971 9.3457 123.5774 60.3878 35.0434 172.3496 88 P 5.1731 0.0000 0.0000 62.3307 32.2395 175.1946 89 M 4.8260 8.9519 121.4154 53.1629 35.1168 173.5339 90 E 4.1636 9.0478 120.8696 56.7193 29.9321 177.0168 91 V 3.5848 8.4492 124.3406 63.1877 32.0050 175.2581 92 S 4.6569 8.2429 118.7065 56.9148 64.1140 173.1077 93 P 4.4827 0.0000 0.0000 65.7529 31.3238 177.9532 94 R 3.9387 7.8636 119.0059 59.0236 29.9644 177.4572 95 R 4.0874 8.3230 118.9214 57.4757 30.1193 178.2503 96 Q 3.7567 8.0689 118.7103 58.1410 29.6346 179.2720 97 Q 3.8041 9.7972 116.5411 59.7795 28.7411 179.1885 98 S 4.0724 5.8100 114.8606 61.7786 63.6411 175.8433 99 L 3.5511 7.5999 119.6775 56.8255 41.4086 179.2327 100 A 4.2930 9.4804 121.2102 55.2521 18.2642 179.5075 101 L 4.2239 7.7444 116.6928 57.5608 41.9799 179.0884 102 R 3.8856 8.1658 117.7545 58.5378 30.0884 177.4005 103 W 5.0171 7.7915 117.6278 59.0463 30.3129 177.0661 104 L 4.1829 8.3234 119.2293 56.5166 40.6429 178.8102 105 V 3.4962 7.9710 125.1788 66.0872 32.2512 177.9300 106 Q 4.2434 8.0429 116.7821 58.6123 29.1509 177.0267 107 A 4.3092 8.0818 119.4221 53.0774 18.5837 178.7054 108 A 4.6502 8.1452 120.9607 53.1665 19.2452 178.3413 109 N 4.5971 7.5274 112.0617 54.5503 39.3157 176.5312 110 Q 4.2183 7.8293 118.3309 58.2646 29.2438 176.7635 111 R 3.8943 6.9987 118.9295 55.8867 30.3189 175.6826 112 P 4.5539 0.0000 0.0000 62.2309 30.3790 175.8009 113 E 4.5213 8.0096 129.7489 59.1074 29.6952 179.9288 114 R 3.1867 7.1989 114.3326 57.8117 32.7550 177.1483 115 R 4.1731 7.6827 118.9283 55.6879 31.5670 177.2320 116 A 4.0105 8.8864 122.9639 56.0875 18.1018 180.2853 117 A 3.8447 7.6701 117.2816 55.8875 18.8580 178.9911 118 V 3.4318 8.0329 113.6301 66.1562 31.0817 178.6966 119 R 3.8689 7.6896 120.0144 59.9752 30.9397 177.6367 120 I 3.9028 8.3117 120.4260 62.2995 36.8241 177.8603 121 A 4.1141 8.3851 123.7131 55.7798 18.7731 179.1127 122 H 4.0736 8.8748 116.1703 59.1553 29.9188 177.0797 123 E 4.0647 8.8093 121.2644 59.0540 29.7043 177.9825 124 L 3.8276 7.9643 118.5105 57.5979 41.5067 178.7696 125 M 3.8028 8.3526 112.3393 59.0200 32.2132 177.3609 126 D 4.5048 6.0500 117.9570 57.5078 41.8774 178.5855 127 A 3.9498 8.3969 121.3011 54.8319 18.8370 179.7511 128 A 4.6733 8.3658 118.7563 51.4300 17.8728 177.6147 129 E 4.4991 8.2251 119.1425 56.6978 36.2214 175.6188 130 G 3.7347 8.3689 107.5667 44.1437 0.0000 173.6825 131 K 4.0980 8.2410 112.9573 57.5808 36.0482 176.0125 132 G 3.8183 8.9824 109.9113 48.0460 0.0000 173.5708 133 G 3.6032 8.9320 109.7500 46.0361 0.0000 176.7608 134 A 3.2479 7.6927 125.1036 52.8196 19.6826 181.1126 135 V 3.2739 7.3549 114.6799 64.5310 32.5252 177.6310 136 K 3.8499 7.9294 121.8152 58.3360 31.5947 178.3119 137 K 3.4966 8.0078 117.9035 59.8278 32.3365 178.3643 138 K 3.2640 6.9545 117.8750 60.0700 31.3604 178.0186 139 E 3.8777 8.8885 118.2011 60.3297 29.5995 180.2792 140 D 4.4501 10.6100 117.3937 56.2900 41.9651 178.7348 141 V 3.7216 8.4268 119.5880 65.6584 31.8225 177.4905 142 E 3.9792 8.5369 119.9386 59.2368 29.1530 180.0238 143 R 3.9384 9.4855 117.9046 59.3949 29.9583 178.5106 144 M 4.0685 7.8239 118.2469 57.5742 31.9710 177.0639 145 A 4.0102 8.1061 121.3207 53.2277 19.4910 176.4720 146 E 4.1426 9.0363 123.3901 57.4818 28.9028 176.5478 147 A 3.5608 7.5503 118.6052 54.1959 18.4307 178.2558 148 N 4.9639 7.6923 113.8825 53.1112 39.0293 176.3785 149 R 3.9817 8.7072 122.3637 58.3829 30.1934 177.0044 150 A 3.9960 7.9079 119.5856 54.1846 18.5584 176.4864 151 Y 4.4303 7.9089 114.0148 56.1252 39.8477 175.5137 152 A 4.5953 8.1674 124.0716 52.8308 24.1189 176.2838 153 H 4.0469 8.0384 112.9083 58.3274 28.6814 174.7091 154 Y 4.8108 6.7866 116.6248 56.3944 37.3834 175.8444 155 R 3.9996 8.6239 123.1713 58.7610 30.7881 176.9631 156 W 3.7813 8.2051 130.2083 57.8305 31.5462 173.5056 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.26 4.30 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 3 R 8.16 4.03 0.00 1.86 1.95 0.00 3.20 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 4 R 8.16 4.36 0.00 1.78 1.89 0.00 3.39 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 5 R 7.49 4.55 0.00 1.83 1.71 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 6 R 8.84 3.63 0.00 1.81 1.97 0.00 3.41 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 7 A 8.31 3.85 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 8 E 8.16 4.72 0.00 2.02 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 2.16 2.32 0.00 9 V 8.30 3.72 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.00 0.00 0.00 10 R 8.42 4.21 0.00 1.79 1.85 0.00 3.15 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 11 Q 8.40 4.72 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 12 L 7.87 4.88 0.00 1.54 1.54 0.91 0.92 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 13 Q 8.35 4.14 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.19 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 14 P 0.00 4.38 0.00 2.19 2.12 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 15 D 8.93 4.20 0.00 2.94 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 16 L 8.80 4.50 0.00 1.82 1.76 0.97 0.97 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 17 V 8.01 4.27 2.49 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 1.06 0.00 0.00 0.11 0.00 0.00 18 Y 9.50 3.93 0.00 3.12 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 19 G 8.36 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 20 D 8.00 5.02 0.00 2.72 2.46 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 0.00 21 V 8.34 4.70 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 0.94 0.00 0.00 0.91 0.00 0.00 22 L 8.10 3.92 0.00 1.86 1.89 0.46 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.96 3.51 1.62 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 0.22 0.00 0.00 0.87 0.00 0.00 24 T 8.34 3.95 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 1.20 0.00 0.00 25 A 7.96 3.95 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 26 F 7.92 3.99 0.00 3.36 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 27 I 8.32 3.61 1.91 0.00 0.00 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 1.10 0.58 0.83 0.00 0.00 28 N 8.37 4.69 0.00 2.81 2.78 0.00 0.00 6.82 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 29 K 8.72 4.28 0.00 1.58 1.67 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.62 7.81 30 I 7.08 4.03 1.66 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.12 0.83 0.00 0.00 31 M 7.01 3.80 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 32 R 8.41 4.21 0.00 1.87 1.88 0.00 3.03 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 33 D 8.88 4.74 0.00 2.67 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 34 G 8.24 3.83 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 0.00 0.00 0.00 35 K 7.94 4.37 0.00 1.79 1.79 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 36 K 7.78 4.04 0.00 1.92 2.02 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.45 7.81 37 N 8.22 4.41 0.00 2.79 2.80 0.00 0.00 6.95 6.66 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 38 L 7.76 3.80 0.00 1.90 1.90 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.69 3.88 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 40 A 8.63 3.58 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 41 R 8.09 3.88 0.00 1.80 2.18 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 42 I 7.72 3.48 2.00 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 1.41 0.76 0.94 0.00 0.00 43 F 8.54 4.50 0.00 3.29 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 44 Y 8.39 4.30 0.00 3.16 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 45 D 8.82 4.40 0.00 2.67 2.74 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 46 A 7.87 4.14 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.27 4.41 0.00 3.09 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 48 K 7.87 4.52 0.00 1.80 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.42 7.81 49 I 8.11 4.66 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.90 0.00 0.00 50 I 6.87 4.77 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.95 0.00 0.00 51 Q 7.24 5.28 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.62 0.00 0.00 0.00 0.00 0.00 2.54 2.26 0.00 52 E 8.18 4.69 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 53 K 7.92 4.49 0.00 1.68 1.78 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.37 7.81 54 T 7.18 4.41 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 1.23 0.00 0.00 55 G 8.40 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 0.00 0.00 0.00 0.00 56 Q 7.83 4.30 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 57 E 9.28 4.20 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 58 P 0.00 4.71 0.00 2.17 2.14 0.00 3.90 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 59 L 8.01 4.81 0.00 1.93 1.81 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.91 4.33 0.00 1.90 1.82 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.52 7.81 61 V 8.01 3.68 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 62 F 8.30 3.86 0.00 3.12 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 63 K 8.55 3.69 0.00 2.04 1.69 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.70 7.81 64 Q 5.93 4.20 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 65 A 8.66 4.22 1.46 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 0.00 0.00 0.00 66 V 8.40 3.91 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 1.20 0.00 0.00 0.41 0.00 0.00 67 E 8.02 4.12 0.00 2.24 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 0.00 2.57 2.38 0.00 68 N 9.20 4.54 0.00 2.86 2.90 0.00 0.00 6.66 7.59 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 69 V 7.64 4.05 2.33 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 1.15 0.00 0.00 0.96 0.00 0.00 70 K 7.53 4.36 0.00 2.05 1.84 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.65 7.81 71 P 0.00 4.82 0.00 2.41 2.59 0.00 4.22 0.00 0.00 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 72 R 8.89 4.59 0.00 1.97 2.14 0.00 2.71 0.00 0.00 3.83 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 73 M 7.22 4.56 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 74 E 8.36 4.75 0.00 2.01 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 2.16 2.19 0.00 75 V 8.19 5.42 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 0.98 0.00 0.00 0.94 0.00 0.00 76 R 7.96 4.66 0.00 1.50 1.58 0.00 2.64 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 77 S 8.31 4.96 0.00 3.82 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 78 R 7.70 4.46 0.00 1.93 1.97 0.00 3.28 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.33 0.00 79 R 8.67 5.53 0.00 1.65 1.74 0.00 3.19 0.00 0.00 3.74 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.00 80 V 8.46 4.44 2.16 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 0.84 0.00 0.00 0.63 0.00 0.00 81 G 9.62 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.16 4.52 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 0.00 83 A 6.57 4.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.09 5.37 0.00 2.59 2.72 0.00 0.00 6.44 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 85 Y 7.23 4.21 0.00 3.08 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.62 4.32 0.00 1.73 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 87 V 9.35 4.70 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 1.14 0.00 0.00 1.08 0.00 0.00 88 P 0.00 5.17 0.00 2.14 2.09 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 89 M 8.95 4.83 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 90 E 9.05 4.16 0.00 1.92 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 2.37 2.43 0.00 91 V 8.45 3.58 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 0.83 0.00 0.00 0.94 0.00 0.00 92 S 8.24 4.66 0.00 3.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.48 0.00 2.27 2.27 0.00 3.73 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 2.04 2.02 0.00 94 R 7.86 3.94 0.00 1.94 1.98 0.00 3.20 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 95 R 8.32 4.09 0.00 1.89 1.76 0.00 3.22 0.00 0.00 3.28 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 96 Q 8.07 3.76 0.00 2.46 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.40 0.00 0.00 0.00 0.00 0.00 2.42 2.70 0.00 97 Q 9.80 3.80 0.00 2.36 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.35 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 98 S 5.81 4.07 0.00 3.78 3.83 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 99 L 7.60 3.55 0.00 1.48 0.33 0.55 -0.49 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 0.00 100 A 9.48 4.29 1.47 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 0.00 0.00 0.00 101 L 7.74 4.22 0.00 1.78 2.04 1.07 1.03 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 0.00 102 R 8.17 3.89 0.00 1.55 1.55 0.00 2.93 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 103 W 7.79 5.02 0.00 3.78 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 0.00 104 L 8.32 4.18 0.00 2.12 1.86 0.57 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.97 3.50 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 0.73 0.00 0.00 0.57 0.00 0.00 106 Q 8.04 4.24 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 107 A 8.08 4.31 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.15 4.65 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.53 4.60 0.00 2.96 2.83 0.00 0.00 7.26 6.96 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 0.00 110 Q 7.83 4.22 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.67 0.00 0.00 0.00 0.00 0.00 2.64 2.39 0.00 111 R 7.00 3.89 0.00 1.89 1.84 0.00 3.44 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 112 P 0.00 4.55 0.00 2.17 2.09 0.00 3.69 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 1.97 1.97 0.00 113 E 8.01 4.52 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 114 R 7.20 3.19 0.00 1.88 2.02 0.00 3.37 0.00 0.00 3.23 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 115 R 7.68 4.17 0.00 1.88 1.85 0.00 3.21 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 116 A 8.89 4.01 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 0.00 117 A 7.67 3.84 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 V 8.03 3.43 2.37 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 1.14 0.00 0.00 1.00 0.00 0.00 119 R 7.69 3.87 0.00 2.04 2.27 0.00 3.27 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 120 I 8.31 3.90 2.08 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 1.75 1.17 1.18 0.00 0.00 121 A 8.39 4.11 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 0.00 122 H 8.87 4.07 0.00 3.27 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.81 4.06 0.00 2.21 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 0.00 2.34 2.39 0.00 124 L 7.96 3.83 0.00 1.67 1.62 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.35 3.80 0.00 2.08 2.08 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 2.63 2.62 0.00 126 D 6.05 4.50 0.00 2.85 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 0.00 127 A 8.40 3.95 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 0.00 128 A 8.37 4.67 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 0.00 129 E 8.23 4.50 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 130 G 8.37 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 0.00 0.00 0.00 131 K 8.24 4.10 0.00 1.84 1.73 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.41 7.81 132 G 8.98 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 0.00 133 G 8.93 3.60 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 0.00 0.00 0.00 134 A 7.69 3.25 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 0.00 135 V 7.35 3.27 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 1.01 0.00 0.00 0.92 0.00 0.00 136 K 7.93 3.85 0.00 1.74 1.62 0.00 1.66 0.00 0.00 1.49 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.37 7.81 137 K 8.01 3.50 0.00 1.43 0.74 0.00 1.46 0.00 0.00 1.15 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.56 1.18 7.81 138 K 6.95 3.26 0.00 1.91 1.52 0.00 1.77 0.00 0.00 1.95 0.00 0.00 3.15 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.55 1.74 7.81 139 E 8.89 3.88 0.00 2.17 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 140 D 10.61 4.45 0.00 2.75 2.47 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 0.00 141 V 8.43 3.72 2.19 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 1.04 0.00 0.00 0.94 0.00 0.00 142 E 8.54 3.98 0.00 2.10 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 2.44 2.48 0.00 143 R 9.49 3.94 0.00 2.03 1.95 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 144 M 7.82 4.07 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 145 A 8.11 4.01 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 0.00 146 E 9.04 4.14 0.00 2.18 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 2.26 2.24 0.00 147 A 7.55 3.56 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 0.00 148 N 7.69 4.96 0.00 2.78 2.98 0.00 0.00 6.44 7.48 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 0.00 149 R 8.71 3.98 0.00 1.79 2.00 0.00 3.41 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 150 A 7.91 4.00 1.08 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 0.00 0.00 151 Y 7.91 4.43 0.00 3.04 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 0.00 152 A 8.17 4.60 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 0.00 153 H 8.04 4.05 0.00 2.67 3.18 0.00 5.67 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 0.00 154 Y 6.79 4.81 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.62 4.00 0.00 1.90 2.08 0.00 3.51 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.61 0.00 156 W 8.21 3.78 0.00 3.63 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