NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3019 8.0433 122.7647 54.9335 43.8631 174.9897 4 I 4.7379 8.3948 127.0103 58.5603 39.4003 173.0967 5 L 4.8694 9.8259 131.1491 53.3109 45.2726 174.9882 6 S 4.9762 8.8603 122.6124 57.8423 64.9338 173.3546 7 I 4.7782 9.1986 125.6429 60.0902 38.6777 175.1826 8 V 4.5857 9.7905 120.2734 59.0964 35.5364 176.6563 9 G 3.1186 7.6961 106.8242 45.9437 0.0000 172.5242 10 T 4.2389 7.9237 109.3401 62.1223 69.9190 174.8317 11 S 4.5704 7.6704 116.9679 56.3622 63.9020 173.2848 12 D 4.4036 8.7015 130.6032 57.7334 40.6216 179.1519 13 S 4.2867 8.0489 114.1527 61.2966 63.2745 176.5508 14 G 3.5854 8.0873 108.9037 47.0162 0.0000 176.0599 15 K 3.9370 8.1688 120.8508 59.8746 32.2315 179.5562 16 T 3.9135 7.6977 115.5870 66.8296 68.3417 177.0296 17 T 3.8484 8.1171 117.8140 66.4412 68.4738 176.3604 18 L 3.9266 7.8439 122.2475 58.2792 42.0559 179.0427 19 I 3.6928 7.8002 119.7891 64.7116 36.8551 178.5837 20 T 3.9472 7.6012 108.9888 64.7859 68.8307 176.7133 21 R 4.0458 7.8730 120.0789 59.2570 30.3534 178.6526 22 M 4.1621 8.2998 118.6541 58.1695 31.8842 178.0480 23 M 3.8701 8.0899 118.6588 58.6787 32.2896 176.4963 24 P 4.2907 0.0000 0.0000 65.7029 31.2364 178.7264 25 I 3.6921 7.5932 117.1141 64.2748 37.2164 177.8010 26 L 4.1357 7.8405 119.7996 58.1376 41.4242 179.9885 27 R 4.1278 8.4234 118.1793 59.2846 29.7634 178.8569 28 E 4.0057 8.1890 117.5659 59.2204 29.5364 178.6670 29 R 4.4180 7.7865 116.9352 55.1880 29.8455 176.7056 30 G 3.9606 8.0724 106.0843 46.2137 0.0000 173.9420 31 L 4.1717 7.2896 117.4737 53.9486 42.4613 177.1496 32 R 4.3036 8.8063 122.8930 55.9629 30.9201 175.6438 33 V 5.0780 8.6702 123.7711 60.9544 34.3395 174.4034 34 A 4.5797 8.5065 128.0440 49.9075 22.2662 174.8034 35 V 4.7504 8.2267 120.5510 61.2059 33.7618 174.8215 36 V 4.4212 9.0454 128.7776 61.1481 33.0089 174.6019 37 K 5.1263 8.5630 126.0208 55.2256 36.0836 176.6972 38 R 4.0942 8.6280 121.1824 55.3780 29.4972 176.5302 *51 K 4.3381 8.3343 123.5114 55.7329 34.0731 177.1941 52 D 4.5527 8.0954 118.8811 57.9827 40.7833 178.4283 53 S 4.3264 8.1666 114.5794 60.9342 63.0531 176.1083 54 W 4.1570 8.3720 131.5418 60.3048 30.6284 177.8123 55 K 3.5545 8.1935 117.8589 59.4323 31.3098 179.3473 56 I 3.6153 8.1747 120.2784 64.4712 37.0806 177.5352 57 Y 4.7483 8.3642 121.9188 60.4096 38.3369 178.1826 58 N 4.1504 7.8653 116.0528 56.1134 38.6158 177.0322 59 S 4.2466 7.5293 113.7797 58.8007 63.2967 174.6800 60 G 3.8214 7.1494 109.9157 45.2379 0.0000 173.4131 61 A 4.5743 7.5605 123.3887 50.3338 20.5660 176.8716 62 D 5.0330 8.4286 121.2996 54.3090 42.1730 175.9835 63 V 4.6009 9.2268 121.1540 61.1871 34.8599 174.2277 64 V 4.9472 8.6835 127.1970 61.3252 33.6381 174.4546 65 I 4.4730 9.0689 129.5432 59.8804 38.6808 174.3844 66 A 5.1937 8.6204 129.2756 50.1913 21.2222 175.4802 67 S 4.6725 8.5586 114.4136 55.9792 66.5635 173.4678 68 P 4.2684 0.0000 0.0000 64.9809 31.0317 177.9263 69 V 4.4418 7.2154 105.0385 60.4760 33.2559 175.2334 70 K 4.6450 8.1330 121.1011 54.6116 35.3154 174.3154 71 L 5.3296 8.4570 126.1088 53.2468 45.4060 174.9975 72 A 4.8467 9.0502 127.0684 50.0527 21.9483 174.4270 73 F 5.6623 9.0770 124.9322 56.6231 41.5687 174.4453 74 I 4.5871 9.1259 127.8096 59.3763 39.6791 174.9279 75 R 5.3699 8.2096 122.6939 54.2740 32.4107 175.1826 76 R 4.1881 9.1069 119.0786 56.4446 30.0452 176.4491 77 V 4.6085 7.9815 114.0980 58.5668 35.6111 176.1430 78 S 4.2934 8.4558 117.3979 58.1098 64.6767 175.2035 79 E 3.9375 8.6880 121.7962 59.7423 28.8639 179.2494 80 E 3.9170 7.8972 117.1625 59.1391 30.1036 178.3519 81 E 3.4693 7.6108 119.8523 58.9359 29.1404 179.6573 82 G 3.7126 7.6427 103.8521 47.0606 0.0000 174.6210 83 N 5.0952 7.6680 116.2386 52.9543 39.4131 175.0711 84 D 4.8327 7.6446 120.8510 52.4272 42.0759 176.0640 85 L 3.9858 8.4395 128.3314 57.9044 41.7049 179.1529 86 D 4.5001 8.2785 118.4667 56.9312 40.9082 178.3481 87 W 4.1499 8.5599 128.6208 60.4232 30.8382 178.1938 88 I 3.9060 8.3083 119.7756 64.6061 36.5977 177.3609 89 Y 4.0424 8.4239 120.8686 61.0514 38.2920 178.2919 90 E 3.9450 8.1610 117.4778 59.7050 29.6977 179.4877 91 R 3.7019 7.3288 116.0124 58.4310 30.0182 177.2886 92 Y 4.6047 7.7180 112.8387 57.7610 40.7920 176.1189 93 L 4.9295 8.1674 117.4374 54.1411 42.8481 178.1030 94 S 3.8172 7.8390 113.9001 59.9044 63.0792 174.3882 95 D 4.7314 7.7630 119.2673 53.1527 39.5022 175.7695 96 Y 4.2240 7.5245 116.9818 58.0088 38.6927 175.4317 97 D 4.6947 8.5706 122.4095 56.5487 41.9397 176.7591 98 L 4.8207 7.9432 119.7664 53.5546 46.0495 174.3553 99 V 4.7284 9.0165 126.2343 61.2745 34.0013 174.0184 100 I 4.9639 8.8124 129.3224 60.1068 39.5565 174.6532 101 T 4.8381 8.7711 123.5108 61.9967 70.7458 173.4042 102 E 4.4574 9.4571 128.7880 55.6529 29.6704 176.3674 103 G 3.9963 8.9685 119.0572 43.6477 0.0000 172.9144 104 F 3.7097 8.6274 114.4147 57.9456 36.9387 177.4243 105 S 4.2502 8.3617 116.0322 61.5794 62.3477 175.3579 106 K 4.3418 8.0357 116.0169 57.1504 31.9799 177.2654 107 A 4.1571 8.1704 122.0234 52.6360 18.4580 178.8149 108 G 4.0013 8.2804 103.9914 45.2867 0.0000 173.8529 109 K 4.2267 7.8320 118.1378 55.8787 33.0150 176.4760 110 D 4.8724 8.7893 122.2724 55.3703 42.0953 176.0788 111 R 5.2391 9.2618 117.1992 54.8882 33.6796 173.6522 112 I 4.7858 8.6375 122.0573 60.0993 39.3834 174.6980 113 V 4.4416 8.7048 127.5859 61.2919 33.4340 174.5392 114 V 4.7142 8.8625 129.3410 61.4674 32.9238 174.7776 115 V 4.7062 8.4092 120.5541 59.5229 35.1788 176.3927 116 K 4.1068 8.5952 123.2871 58.7187 32.5729 177.5155 117 K 4.7164 8.0193 117.6795 53.6454 34.7053 175.5428 118 P 4.3210 0.0000 0.0000 65.6002 30.7355 178.7623 119 E 4.1407 8.1595 115.5465 58.8336 29.7829 178.6229 120 E 4.2439 8.1798 119.3340 58.8901 29.4431 178.9489 121 V 3.8399 7.9077 118.9016 66.1535 31.2676 177.6374 122 E 4.1152 7.8188 116.0602 58.7314 29.3131 177.8258 123 H 4.5015 7.7608 114.0891 55.4377 29.1460 175.1638 124 F 5.3670 7.8569 119.3096 56.5516 39.6960 175.5106 125 R 4.5616 8.1378 116.9878 56.5791 29.6310 178.0460 126 Q 4.1487 8.1874 120.1439 57.9425 29.0657 175.5740 127 G 4.3774 7.5340 103.8616 42.2454 0.0000 171.0775 128 R 4.0870 8.4332 119.4383 56.4020 31.0924 175.8891 129 I 4.5518 8.4692 127.8372 61.0920 37.2267 175.5464 130 L 4.6230 8.9895 128.0222 56.9486 42.7709 176.8397 131 A 4.6937 7.6705 117.1734 51.1857 22.8174 175.2200 132 V 4.7437 8.8797 119.6443 61.0966 34.8544 174.5212 133 V 4.9584 8.9487 128.1741 61.7146 33.3045 174.0260 134 C 5.2076 9.1784 126.9179 58.6650 34.8617 174.6833 135 D 4.5095 9.2456 126.1800 56.7300 40.8450 176.2104 136 E 4.4502 8.0003 119.3151 54.0661 30.8002 175.4247 137 R 2.0000 8.0613 125.5919 56.0488 30.3558 175.4795 138 V 4.1850 6.4761 123.2418 60.9213 34.0260 174.4472 139 D 4.5725 8.4061 125.8975 54.5380 41.9814 176.9743 140 G 3.9150 10.0537 110.3029 45.6474 0.0000 172.7924 141 H 4.8972 7.4098 114.3443 53.3934 33.0708 172.9521 142 K 3.8483 8.7008 123.0648 57.0603 32.9401 175.1569 143 W 5.5172 8.1008 135.0000 55.6768 33.6700 173.9784 144 F 4.3441 8.5179 124.0921 55.3188 43.0127 174.9766 145 R 4.8079 8.5529 119.9149 54.8144 30.8774 177.9895 146 R 3.9340 8.2435 119.8715 59.6601 30.1048 178.0242 147 D 4.5004 7.9380 114.3482 54.7046 40.5515 176.6550 148 E 4.4075 7.7784 122.5005 56.1437 27.8235 178.0268 149 V 3.5229 7.4238 115.0072 64.5721 32.1178 178.1826 150 E 3.9369 8.0535 117.8704 59.4297 29.3096 179.4816 151 R 3.9029 7.6637 117.6962 59.0772 30.2561 178.9750 152 I 2.9221 7.6089 119.6248 63.7220 37.0659 178.1696 153 A 3.9335 8.1221 122.0598 55.3069 18.2524 179.3172 154 E 3.9844 8.2917 117.8040 59.2910 29.7003 178.7903 155 F 4.3835 7.9902 122.1631 60.7222 39.5722 177.2720 156 I 3.4539 7.7735 119.3417 64.3735 36.8304 178.1253 157 L 3.9650 8.3440 120.4146 58.0388 41.5786 179.8833 158 S 4.1019 8.5232 114.1902 61.5817 62.4825 176.6728 159 L 3.9972 7.5430 122.1206 57.1251 41.0258 179.3814 160 L 4.0366 7.4980 118.1180 57.7502 41.6937 179.0953 161 R 4.1780 7.4723 115.0569 57.1811 30.2636 176.5188 162 E 4.2026 7.6291 122.6183 56.4498 29.6217 175.9627 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 3 L 8.04 4.30 0.00 1.80 1.62 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.39 4.74 1.79 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 0.87 0.00 0.00 5 L 9.83 4.87 0.00 1.68 1.48 1.00 0.72 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 6 S 8.86 4.98 0.00 3.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.20 4.78 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.03 0.90 0.00 0.00 8 V 9.79 4.59 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 0.84 0.00 0.00 0.81 0.00 0.00 9 G 7.70 3.12 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 0.00 10 T 7.92 4.24 4.31 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 1.49 0.00 0.00 11 S 7.67 4.57 0.00 3.88 3.76 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 12 D 8.70 4.40 0.00 2.72 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 13 S 8.05 4.29 0.00 4.04 4.11 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 14 G 8.09 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 15 K 8.17 3.94 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.65 7.81 16 T 7.70 3.91 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 17 T 8.12 3.85 4.31 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 1.20 0.00 0.00 18 L 7.84 3.93 0.00 1.85 1.81 0.87 1.11 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 19 I 7.80 3.69 1.99 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 1.57 0.57 0.90 0.00 0.00 20 T 7.60 3.95 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 1.25 0.00 0.00 21 R 7.87 4.05 0.00 1.90 2.01 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 22 M 8.30 4.16 0.00 2.03 2.13 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 2.76 2.64 0.00 23 M 8.09 3.87 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 24 P 0.00 4.29 0.00 2.18 2.09 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 25 I 7.59 3.69 1.96 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 1.62 0.32 0.89 0.00 0.00 26 L 7.84 4.14 0.00 1.82 1.73 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.42 4.13 0.00 1.79 1.98 0.00 3.39 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 28 E 8.19 4.01 0.00 2.04 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 2.35 2.41 0.00 29 R 7.79 4.42 0.00 1.91 1.92 0.00 3.43 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 30 G 8.07 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.29 4.17 0.00 1.91 1.64 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.81 4.30 0.00 1.92 1.84 0.00 2.91 0.00 0.00 2.92 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 33 V 8.67 5.08 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 0.85 0.00 0.00 1.02 0.00 0.00 34 A 8.51 4.58 0.32 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 35 V 8.23 4.75 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 0.84 0.00 0.00 0.90 0.00 0.00 36 V 9.05 4.42 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 0.74 0.00 0.00 0.80 0.00 0.00 37 K 8.56 5.13 0.00 1.80 1.77 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.47 7.81 38 R 8.63 4.09 0.00 1.69 1.84 0.00 3.18 0.00 0.00 3.03 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.91 0.00 *51 K 8.33 4.34 0.00 1.87 1.90 0.00 1.40 0.00 0.00 1.64 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.77 7.81 52 D 8.10 4.55 0.00 2.79 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 53 S 8.17 4.33 0.00 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 0.00 54 W 8.37 4.16 0.00 3.54 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 55 K 8.19 3.55 0.00 2.15 1.84 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.83 7.81 56 I 8.17 3.62 1.92 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 1.42 0.72 0.93 0.00 0.00 57 Y 8.36 4.75 0.00 3.12 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 58 N 7.87 4.15 0.00 2.27 2.49 0.00 0.00 7.16 7.53 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 59 S 7.53 4.25 0.00 3.98 3.99 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 60 G 7.15 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 61 A 7.56 4.57 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 62 D 8.43 5.03 0.00 2.78 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 V 9.23 4.60 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 1.15 0.00 0.00 1.21 0.00 0.00 64 V 8.68 4.95 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 0.91 0.00 0.00 0.74 0.00 0.00 65 I 9.07 4.47 1.93 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 1.23 0.66 0.95 0.00 0.00 66 A 8.62 5.19 1.20 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 67 S 8.56 4.67 0.00 3.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.27 0.00 2.06 2.16 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 69 V 7.22 4.44 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 0.67 0.00 0.00 0.94 0.00 0.00 70 K 8.13 4.64 0.00 1.78 1.59 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.39 7.81 71 L 8.46 5.33 0.00 1.66 1.50 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 72 A 9.05 4.85 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 73 F 9.08 5.66 0.00 2.96 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 74 I 9.13 4.59 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.55 0.00 0.00 75 R 8.21 5.37 0.00 1.79 1.19 0.00 2.68 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.55 0.00 76 R 9.11 4.19 0.00 1.99 2.04 0.00 2.94 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 77 V 7.98 4.61 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 0.88 0.00 0.00 0.89 0.00 0.00 78 S 8.46 4.29 0.00 3.97 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 79 E 8.69 3.94 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 2.33 2.39 0.00 80 E 7.90 3.92 0.00 2.09 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 2.14 2.24 0.00 81 E 7.61 3.47 0.00 1.49 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 1.71 0.00 82 G 7.64 3.71 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 0.00 0.00 0.00 83 N 7.67 5.10 0.00 2.90 2.93 0.00 0.00 6.79 9.18 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 84 D 7.64 4.83 0.00 2.90 2.79 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 85 L 8.44 3.99 0.00 1.71 1.65 0.78 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.28 4.50 0.00 2.91 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 87 W 8.56 4.15 0.00 3.49 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 88 I 8.31 3.91 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.39 0.94 0.00 0.00 89 Y 8.42 4.04 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.16 3.94 0.00 1.86 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 0.00 2.69 2.53 0.00 91 R 7.33 3.70 0.00 1.32 1.05 0.00 2.65 0.00 0.00 2.74 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 92 Y 7.72 4.60 0.00 3.10 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 93 L 8.17 4.93 0.00 1.29 1.36 0.82 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.84 3.82 0.00 3.92 3.80 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 95 D 7.76 4.73 0.00 2.60 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 7.52 4.22 0.00 3.20 3.14 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 0.00 0.00 0.00 0.00 97 D 8.57 4.69 0.00 2.74 2.75 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 98 L 7.94 4.82 0.00 1.75 1.48 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 99 V 9.02 4.73 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 0.93 0.00 0.00 1.07 0.00 0.00 100 I 8.81 4.96 1.85 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 1.22 0.70 0.96 0.00 0.00 101 T 8.77 4.84 4.26 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 1.49 0.00 0.00 102 E 9.46 4.46 0.00 1.97 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 2.27 2.26 0.00 103 G 8.97 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 0.00 104 F 8.63 3.71 0.00 3.23 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.36 4.25 0.00 4.11 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 0.00 106 K 8.04 4.34 0.00 1.82 1.86 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.38 7.81 107 A 8.17 4.16 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 0.00 108 G 8.28 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 0.00 109 K 7.83 4.23 0.00 1.68 1.77 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.41 7.81 110 D 8.79 4.87 0.00 2.61 2.66 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 0.00 111 R 9.26 5.24 0.00 1.93 2.03 0.00 3.14 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 112 I 8.64 4.79 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.98 0.00 0.00 113 V 8.70 4.44 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 0.79 0.00 0.00 0.97 0.00 0.00 114 V 8.86 4.71 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 0.90 0.00 0.00 0.91 0.00 0.00 115 V 8.41 4.71 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.99 0.00 0.00 116 K 8.60 4.11 0.00 1.85 1.85 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.48 7.81 117 K 8.02 4.72 0.00 1.89 1.92 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 118 P 0.00 4.32 0.00 2.12 2.04 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 119 E 8.16 4.14 0.00 2.17 2.22 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 2.40 2.36 0.00 120 E 8.18 4.24 0.00 2.27 2.30 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 2.42 2.39 0.00 121 V 7.91 3.84 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 1.05 0.00 0.00 1.01 0.00 0.00 122 E 7.82 4.12 0.00 2.03 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 2.35 2.47 0.00 123 H 7.76 4.50 0.00 2.83 2.67 0.00 5.59 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 7.86 5.37 0.00 3.07 3.06 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 0.00 125 R 8.14 4.56 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 126 Q 8.19 4.15 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 127 G 7.53 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 0.00 0.00 0.00 0.00 128 R 8.43 4.09 0.00 1.95 2.02 0.00 3.21 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 129 I 8.47 4.55 1.93 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 1.40 0.74 0.87 0.00 0.00 130 L 8.99 4.62 0.00 1.77 2.10 0.95 1.10 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 0.00 131 A 7.67 4.69 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 0.00 132 V 8.88 4.74 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 1.08 0.00 0.00 0.88 0.00 0.00 133 V 8.95 4.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.00 0.00 0.00 134 C 9.18 5.21 0.00 3.14 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 0.00 135 D 9.25 4.51 0.00 2.79 2.81 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 0.00 136 E 8.00 4.45 0.00 1.93 1.81 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 2.10 2.23 0.00 137 R 8.06 2.00 0.00 0.67 1.25 0.00 2.98 0.00 0.00 2.93 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.86 0.00 138 V 6.48 4.18 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 0.91 0.00 0.00 0.90 0.00 0.00 139 D 8.41 4.57 0.00 2.64 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 0.00 0.00 0.00 0.00 140 G 10.05 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 0.00 141 H 7.41 4.90 0.00 3.14 3.18 0.00 5.73 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 0.00 142 K 8.70 3.85 0.00 1.81 1.71 0.00 1.42 0.00 0.00 1.67 0.00 0.00 2.40 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.79 0.86 7.81 143 W 8.10 5.52 0.00 3.13 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 0.00 144 F 8.52 4.34 0.00 2.78 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 0.00 145 R 8.55 4.81 0.00 1.70 2.11 0.00 3.18 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.97 0.00 146 R 8.24 3.93 0.00 1.97 2.03 0.00 3.22 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 147 D 7.94 4.50 0.00 2.76 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 0.00 148 E 7.78 4.41 0.00 2.11 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 0.00 2.22 2.25 0.00 149 V 7.42 3.52 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 0.87 0.00 0.00 0.89 0.00 0.00 150 E 8.05 3.94 0.00 2.01 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 2.38 2.43 0.00 151 R 7.66 3.90 0.00 1.91 1.93 0.00 3.15 0.00 0.00 3.63 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 152 I 7.61 2.92 1.62 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.26 0.76 0.00 0.00 153 A 8.12 3.93 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 0.00 154 E 8.29 3.98 0.00 2.18 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 0.00 2.33 2.41 0.00 155 F 7.99 4.38 0.00 3.19 3.13 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 0.00 156 I 7.77 3.45 1.97 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 1.51 1.18 0.86 0.00 0.00 157 L 8.34 3.97 0.00 1.76 1.72 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.52 4.10 0.00 3.99 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 0.00 159 L 7.54 4.00 0.00 1.54 1.59 0.47 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.50 4.04 0.00 1.82 1.71 0.89 0.75 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 0.00 161 R 7.47 4.18 0.00 1.85 1.96 0.00 3.14 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 162 E 7.63 4.20 0.00 1.98 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 0.00 2.53 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.