NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.3876 8.1693 120.6282 55.2059 43.2469 177.0078 14 N 4.8712 8.0375 116.6530 51.7581 37.3069 172.8799 15 S 4.3486 8.8449 120.2785 60.6543 64.9130 175.4948 16 E 4.7923 7.6531 118.2429 53.8430 32.8352 175.2874 17 L 4.2673 8.3083 121.3699 54.5279 42.4030 178.0873 18 L 4.3629 9.5956 124.6952 54.1346 43.8046 178.2068 19 E 4.0549 8.5968 118.9873 59.7540 29.3193 179.4620 20 E 4.0475 8.2071 118.2250 59.3826 29.5233 179.3830 21 Q 4.0138 7.9892 117.6530 58.9558 29.0106 178.4909 22 K 4.1168 8.0764 119.4833 59.6475 32.0246 179.4050 23 Q 4.1833 8.3869 118.3611 58.9845 28.6483 178.4290 24 E 4.0281 8.4375 120.3950 59.3311 29.6559 179.0275 25 I 3.9778 7.9630 119.7996 64.5758 37.1588 177.6532 26 Y 4.3807 8.4079 120.3289 61.0185 38.7263 178.0036 27 E 3.7942 8.6692 119.2775 59.3064 29.3576 179.2825 28 A 4.0566 7.9782 119.5291 55.1632 18.8577 179.1313 29 F 3.8285 8.3776 119.1279 61.5961 39.0252 177.4391 30 S 4.0211 8.1868 114.9633 61.5898 62.2711 176.7327 31 L 3.4304 7.4330 120.6327 56.5378 41.2585 177.8215 32 F 4.7690 7.3807 114.1707 56.8086 40.2002 175.0876 33 D 4.2417 7.1271 121.5947 53.8333 41.5359 176.3235 *35 N 4.6400 8.5068 121.1951 51.5186 39.0829 173.6823 36 N 4.3225 7.7403 114.4040 55.4217 36.4618 174.2588 37 D 4.9173 8.5249 112.7295 52.6402 40.4855 176.1040 38 G 4.0748 9.5732 107.4237 46.7169 0.0000 173.5730 39 F 5.2569 8.6930 116.1837 55.4044 43.2163 174.2002 40 L 4.8750 8.5999 122.8705 52.8910 44.3985 176.5201 41 D 5.3982 8.9841 124.6366 51.5999 42.5356 176.8289 42 Y 4.0573 8.4527 118.7414 61.4728 38.7848 177.7949 43 H 3.8839 8.1995 116.4845 58.6857 28.8641 177.5795 44 E 3.9198 8.7854 120.8221 59.2606 29.0926 179.1497 45 L 3.8748 8.0755 119.5600 57.7470 42.1914 178.3444 46 K 3.7858 7.5441 118.9881 59.8078 32.2930 178.8477 47 V 3.5870 7.0314 110.5540 63.5198 30.7884 178.5309 48 A 4.1317 6.9374 117.1951 52.8150 17.8187 179.1043 *50 K 4.1005 7.9822 120.8775 57.7892 34.0739 178.0289 51 A 4.0269 8.0206 120.1294 55.3043 18.2136 178.4415 52 L 4.0910 7.5433 111.8818 55.3330 42.0294 177.8257 53 G 3.5921 8.1452 107.1781 45.3063 0.0000 174.3891 54 F 5.1379 7.2347 114.8312 55.9327 39.0557 175.6666 55 E 4.0790 8.0264 121.0979 56.2399 30.4758 175.6177 56 L 4.9192 8.1470 125.1135 51.9454 45.5258 174.7060 57 P 4.4297 0.0000 0.0000 62.3580 32.3372 177.3303 58 K 4.1923 8.9569 122.9348 60.1324 32.0439 179.1001 59 R 4.0202 8.0212 115.4364 59.1154 29.4295 178.4366 60 E 3.9996 8.4416 119.6860 59.1273 29.3909 179.0374 61 I 3.7825 7.8385 119.4037 64.5749 37.2269 178.2446 62 L 4.1002 8.0859 119.6425 58.0502 41.3056 179.3848 63 D 4.3868 8.4935 119.0587 57.1273 40.4660 178.6957 64 L 4.0929 7.8615 120.1969 58.1794 42.3669 178.6779 65 I 4.0016 8.1504 120.0402 64.7791 36.9100 178.2390 66 D 4.4528 8.2093 118.2432 57.2420 40.6389 178.2075 67 E 4.1238 7.9519 119.2858 58.1060 29.6110 176.7028 68 Y 4.6094 7.7986 115.3224 57.3941 38.6692 174.4691 69 D 4.9930 8.1519 119.3066 52.7265 43.2283 175.5573 70 S 4.3853 8.9449 122.8798 60.1056 63.5763 174.3356 71 E 4.6084 7.9840 119.3020 54.0762 31.1209 175.3380 72 G 4.0906 8.6833 115.6805 45.3807 0.0000 171.1845 73 R 4.6078 8.7587 118.4192 54.8726 32.7827 177.5465 74 H 4.6663 8.7434 120.1502 56.1521 28.0443 173.3215 75 L 6.0526 7.2542 121.1451 52.8858 43.9928 176.7163 *77 K 3.4357 8.3112 120.8621 56.8656 34.3308 176.2174 78 Y 3.5189 7.7326 126.5901 61.1311 38.1937 178.5352 79 D 4.2759 8.0523 118.8188 57.4215 40.7519 178.7536 80 D 4.2257 7.7883 118.6677 57.1554 40.8944 177.9269 81 F 3.8912 7.8777 119.8638 61.7737 39.3636 176.1696 82 Y 3.9875 7.8798 117.5262 60.7648 38.8096 178.1585 83 I 3.8304 7.3645 119.8566 64.3081 37.3736 179.1278 84 V 3.4511 7.3829 115.2674 63.6736 30.8626 177.5437 *86 G 3.5999 7.9949 107.7502 45.0057 0.0000 175.6512 87 E 3.9234 7.7591 119.1619 58.7297 29.3659 179.2386 88 K 3.6437 7.3401 118.3244 59.1265 32.1523 179.0427 89 I 4.0901 7.4577 119.5795 64.4705 36.9405 178.2819 90 L 4.0138 7.6758 118.6150 57.4188 41.4886 178.8416 91 K 4.3407 7.4418 115.5597 55.4702 32.3989 177.0403 92 R 3.9250 7.5177 121.5406 56.2657 30.5639 175.2474 93 D 4.6207 8.6973 125.5678 52.6535 41.3167 174.9734 94 P 4.3853 0.0000 0.0000 65.4117 31.1113 178.0286 95 L 4.0617 8.0296 120.3057 57.9776 41.9500 178.1215 96 D 4.3638 8.1104 119.1993 57.4175 40.7572 178.4138 97 E 3.9589 8.1392 119.1725 59.2400 29.6946 178.7939 98 I 3.7861 7.3838 118.5207 64.4451 37.1576 178.6264 99 K 4.1088 8.3412 119.5009 59.4167 31.4433 179.4086 100 R 3.9518 8.5031 119.2310 59.4136 29.9878 178.4811 101 A 4.1526 8.1388 120.6980 55.0068 18.3455 179.2533 102 F 3.2656 8.2836 119.2714 61.4199 39.1754 177.2095 103 Q 3.9730 7.8049 116.0676 59.2318 28.6185 178.8909 104 L 4.1567 7.4174 118.0776 57.3111 41.7026 179.2335 105 F 4.0176 7.8656 117.5599 59.7081 40.4653 176.6597 106 D 4.4327 7.9075 119.2797 53.4947 37.2245 176.3019 107 D 4.2097 7.2788 124.3857 57.4093 41.5051 178.6375 108 D 4.3916 7.7581 114.5019 52.9317 40.4165 175.2536 109 H 4.1558 7.6227 115.9612 57.5867 25.8564 175.1666 110 T 4.2866 8.2935 106.6792 61.2484 69.7935 175.9434 111 G 4.1685 9.1866 110.9877 45.4230 0.0000 173.4919 112 K 5.0509 7.5088 117.2900 54.7384 36.6662 176.2976 113 I 4.3512 9.0804 125.1956 60.3149 38.2848 175.8336 114 S 4.8500 8.7467 122.9331 56.8404 65.1563 175.2667 115 I 3.7167 8.4440 119.4536 64.1339 37.6055 177.7338 116 K 3.9844 7.9964 119.2300 59.8497 32.4298 178.6281 117 N 4.1959 7.7898 116.7277 56.2160 38.4731 177.0938 118 L 3.9434 8.0011 121.4572 58.0939 42.1657 178.8254 119 R 3.8391 8.3586 119.1520 59.4458 29.9758 178.4901 120 R 3.8059 7.8011 117.9809 59.1948 30.0011 178.6339 121 V 3.2958 7.5774 117.7636 65.8135 31.6340 177.5605 122 A 3.9469 8.0011 120.5692 55.4602 18.3529 179.8117 123 K 3.9248 8.1375 116.7303 59.5167 31.8236 179.2760 124 E 3.9364 7.9778 118.9365 59.0382 29.6967 178.1913 125 L 4.2475 7.9245 116.5381 55.0161 41.9310 178.0083 126 G 3.9351 7.7216 107.1293 45.2736 0.0000 173.9668 127 E 4.1342 7.7310 118.4288 56.5576 29.9012 177.2536 128 T 4.4542 8.1962 117.9789 61.4491 69.0459 172.4281 129 L 4.8858 7.9584 124.4464 52.2174 44.6567 177.5561 130 T 4.0332 8.8967 118.2025 62.1008 69.2745 174.8037 131 D 4.4471 8.6671 125.2943 57.3664 40.7753 179.0592 132 E 3.9822 8.1346 118.9190 59.4018 29.3246 178.8674 133 E 4.0076 8.1074 116.9823 59.5342 29.6572 179.0162 134 L 4.1885 7.7742 117.9687 57.6482 41.9023 179.2388 135 R 4.1024 8.3955 118.9985 59.0466 30.2635 179.2897 136 A 4.3748 8.3436 121.2947 52.0972 18.4679 179.5520 *138 I 4.1743 7.7664 123.4555 63.0291 39.2176 177.9113 139 E 3.9353 8.4259 120.9874 59.2698 29.4699 178.6156 140 E 3.8882 7.9699 117.5926 58.1036 29.6506 176.9736 141 F 4.6925 7.4242 114.8102 56.9076 40.2374 174.8571 142 D 4.6534 8.1494 121.4642 53.5094 40.3050 175.5110 143 L 4.3353 8.7575 128.1989 56.9739 42.2384 178.6067 144 D 4.3830 8.2080 116.6364 54.5953 39.7666 177.1384 145 G 4.0458 8.2058 106.9718 45.1253 0.0000 173.7453 146 D 4.4281 7.9411 118.2583 53.8292 39.5135 177.4108 147 G 3.9527 9.1258 108.7277 45.7044 0.0000 172.5680 148 E 4.8637 8.3201 117.4388 54.5765 34.3579 174.9765 149 I 4.7650 8.5699 121.7990 59.8192 39.3037 176.0218 150 N 5.1122 9.7001 126.1999 51.9961 39.2396 176.0560 151 E 2.5400 8.5927 118.2869 59.2482 29.6067 178.1227 152 N 4.1993 8.0485 115.7581 56.5915 38.3319 177.0881 153 E 4.0399 8.5529 119.2676 59.1786 29.9143 178.9035 154 F 4.2971 8.1640 120.8374 61.3835 39.0152 177.1489 155 I 3.5341 8.0029 119.4443 64.4883 36.6367 178.2655 156 A 4.0197 7.5527 120.1982 54.9690 18.2086 179.4769 157 I 3.3898 7.0946 117.5568 63.9595 37.4355 177.0496 158 C 4.3779 7.0123 114.9563 59.5696 28.3392 172.8713 159 T 4.6164 7.3302 114.6425 62.9619 72.3063 173.3116 160 D 4.8998 8.4821 118.9414 54.2860 42.7639 176.3800 161 S 4.1319 7.7726 118.4947 58.4895 62.5537 173.1599 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 13 L 8.17 4.39 0.00 1.65 1.67 0.92 0.64 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 14 N 8.04 4.87 0.00 2.83 2.77 0.00 0.00 6.10 6.76 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 15 S 8.84 4.35 0.00 3.88 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 16 E 7.65 4.79 0.00 1.91 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 2.20 2.29 0.00 17 L 8.31 4.27 0.00 1.66 1.61 0.67 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 L 9.60 4.36 0.00 1.71 1.75 0.98 0.37 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 19 E 8.60 4.05 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 20 E 8.21 4.05 0.00 2.08 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 2.42 2.49 0.00 21 Q 7.99 4.01 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 22 K 8.08 4.12 0.00 1.96 2.13 0.00 1.90 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.63 1.81 7.81 23 Q 8.39 4.18 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 24 E 8.44 4.03 0.00 2.24 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 2.42 0.00 25 I 7.96 3.98 2.24 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 1.21 0.00 0.00 26 Y 8.41 4.38 0.00 3.28 3.27 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 27 E 8.67 3.79 0.00 2.23 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 2.41 2.77 0.00 28 A 7.98 4.06 1.64 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 0.00 0.00 29 F 8.38 3.83 0.00 2.99 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 30 S 8.19 4.02 0.00 3.65 3.62 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 0.00 0.00 0.00 0.00 31 L 7.43 3.43 0.00 1.12 0.38 0.71 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.38 4.77 0.00 2.77 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 33 D 7.13 4.24 0.00 2.20 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 0.00 0.00 0.00 0.00 *35 N 8.51 4.64 0.00 2.92 2.97 0.00 0.00 6.15 8.04 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 36 N 7.74 4.32 0.00 2.91 2.94 0.00 0.00 6.70 7.94 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 37 D 8.52 4.92 0.00 2.91 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 38 G 9.57 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 0.00 0.00 0.00 0.00 39 F 8.69 5.26 0.00 3.45 2.98 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 40 L 8.60 4.87 0.00 1.68 1.43 0.48 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.98 5.40 0.00 3.00 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 42 Y 8.45 4.06 0.00 3.07 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 43 H 8.20 3.88 0.00 3.34 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.79 3.92 0.00 2.12 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 2.34 2.57 0.00 45 L 8.08 3.87 0.00 1.63 1.82 1.20 0.74 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 46 K 7.54 3.79 0.00 1.21 1.61 0.00 1.81 0.00 0.00 1.47 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.35 7.81 47 V 7.03 3.59 1.43 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 0.53 0.00 0.00 0.34 0.00 0.00 48 A 6.94 4.13 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 *50 K 7.98 4.10 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.39 7.81 51 A 8.02 4.03 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 0.00 0.00 0.00 0.00 0.00 52 L 7.54 4.09 0.00 1.75 1.62 1.13 1.13 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 53 G 8.15 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 54 F 7.23 5.14 0.00 3.03 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 55 E 8.03 4.08 0.00 1.93 1.89 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 2.31 2.33 0.00 56 L 8.15 4.92 0.00 1.66 1.55 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.43 0.00 2.21 2.00 0.00 3.74 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 2.29 2.10 0.00 58 K 8.96 4.19 0.00 1.93 1.87 0.00 1.48 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 59 R 8.02 4.02 0.00 2.08 2.18 0.00 3.03 0.00 0.00 3.35 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 60 E 8.44 4.00 0.00 2.22 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 0.00 2.35 2.37 0.00 61 I 7.84 3.78 2.30 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.94 1.01 0.00 0.00 62 L 8.09 4.10 0.00 1.89 1.74 0.72 0.94 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 63 D 8.49 4.39 0.00 2.91 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 64 L 7.86 4.09 0.00 2.02 1.82 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.15 4.00 2.15 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 1.05 0.00 0.00 66 D 8.21 4.45 0.00 2.80 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 67 E 7.95 4.12 0.00 2.17 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 1.99 2.26 0.00 68 Y 7.80 4.61 0.00 2.95 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 69 D 8.15 4.99 0.00 2.85 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.94 4.39 0.00 3.94 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 71 E 7.98 4.61 0.00 1.89 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 2.22 2.34 0.00 72 G 8.68 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.76 4.61 0.00 1.85 1.82 0.00 2.97 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.51 0.00 74 H 8.74 4.67 0.00 3.32 3.40 0.00 5.76 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 75 L 7.25 6.05 0.00 1.66 1.76 0.55 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *77 K 8.31 3.44 0.00 1.93 1.84 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 0.99 7.81 78 Y 7.73 3.52 0.00 2.06 2.61 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 79 D 8.05 4.28 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.79 4.23 0.00 2.82 2.38 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 81 F 7.88 3.89 0.00 3.08 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 82 Y 7.88 3.99 0.00 2.28 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.36 3.83 1.94 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 1.46 1.00 0.93 0.00 0.00 84 V 7.38 3.45 1.72 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 0.80 0.00 0.00 0.38 0.00 0.00 *86 G 7.99 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 87 E 7.76 3.92 0.00 2.15 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 0.00 2.44 2.21 0.00 88 K 7.34 3.64 0.00 0.85 0.74 0.00 0.99 0.00 0.00 0.80 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.99 1.18 7.81 89 I 7.46 4.09 1.98 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 1.86 0.80 0.94 0.00 0.00 90 L 7.68 4.01 0.00 1.74 1.71 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.44 4.34 0.00 1.84 1.84 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.53 7.81 92 R 7.52 3.93 0.00 2.19 1.89 0.00 3.24 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 93 D 8.70 4.62 0.00 2.76 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 94 P 0.00 4.39 0.00 2.29 2.30 0.00 3.75 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 2.06 2.02 0.00 95 L 8.03 4.06 0.00 1.77 1.86 0.89 1.26 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 96 D 8.11 4.36 0.00 2.86 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 97 E 8.14 3.96 0.00 2.04 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 0.00 2.40 2.44 0.00 98 I 7.38 3.79 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.73 0.87 0.00 0.00 99 K 8.34 4.11 0.00 1.98 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 100 R 8.50 3.95 0.00 2.12 1.98 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 101 A 8.14 4.15 1.67 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 0.00 102 F 8.28 3.27 0.00 2.99 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 0.00 103 Q 7.80 3.97 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 104 L 7.42 4.16 0.00 1.90 1.73 0.98 0.79 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 0.00 105 F 7.87 4.02 0.00 2.55 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 0.00 106 D 7.91 4.43 0.00 2.09 2.24 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 0.00 107 D 7.28 4.21 0.00 2.60 2.61 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 0.00 108 D 7.76 4.39 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 7.62 4.16 0.00 3.37 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.29 4.29 4.25 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 1.20 0.00 0.00 111 G 9.19 4.17 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 0.00 0.00 0.00 112 K 7.51 5.05 0.00 1.67 1.76 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 113 I 9.08 4.35 1.88 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 1.00 0.00 0.00 114 S 8.75 4.85 0.00 3.92 4.10 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 0.00 0.00 0.00 115 I 8.44 3.72 1.89 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 1.70 1.58 0.92 0.00 0.00 116 K 8.00 3.98 0.00 2.00 2.04 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.50 7.81 117 N 7.79 4.20 0.00 3.10 2.99 0.00 0.00 6.62 6.62 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 0.00 118 L 8.00 3.94 0.00 1.85 1.84 1.17 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.36 3.84 0.00 1.98 2.04 0.00 3.14 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 120 R 7.80 3.81 0.00 1.97 2.00 0.00 3.34 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 121 V 7.58 3.30 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 0.54 0.00 0.00 0.20 0.00 0.00 122 A 8.00 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 0.00 123 K 8.14 3.92 0.00 1.90 1.84 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 124 E 7.98 3.94 0.00 2.12 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 2.27 2.30 0.00 125 L 7.92 4.25 0.00 1.74 1.68 0.90 0.86 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 0.00 126 G 7.72 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 0.00 0.00 0.00 127 E 7.73 4.13 0.00 2.12 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 2.43 0.00 128 T 8.20 4.45 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 0.00 129 L 7.96 4.89 0.00 1.60 1.57 0.95 0.98 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 0.00 130 T 8.90 4.03 4.25 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 1.34 0.00 0.00 131 D 8.67 4.45 0.00 2.81 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 0.00 132 E 8.13 3.98 0.00 2.06 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 2.41 2.47 0.00 133 E 8.11 4.01 0.00 2.17 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 2.34 2.42 0.00 134 L 7.77 4.19 0.00 1.82 1.76 0.98 1.02 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 0.00 135 R 8.40 4.10 0.00 1.99 2.16 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 136 A 8.34 4.37 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 *138 I 7.77 4.17 2.07 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 1.40 0.94 1.04 0.00 0.00 139 E 8.43 3.94 0.00 2.17 1.95 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 2.32 2.41 0.00 140 E 7.97 3.89 0.00 1.79 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.00 141 F 7.42 4.69 0.00 3.21 3.03 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 0.00 0.00 0.00 142 D 8.15 4.65 0.00 2.76 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 0.00 143 L 8.76 4.34 0.00 1.72 1.72 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.21 4.38 0.00 2.78 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 0.00 145 G 8.21 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 0.00 0.00 0.00 0.00 146 D 7.94 4.43 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 9.13 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 0.00 0.00 0.00 148 E 8.32 4.86 0.00 1.87 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 2.26 2.29 0.00 149 I 8.57 4.76 2.01 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 1.40 1.33 1.14 0.00 0.00 150 N 9.70 5.11 0.00 2.81 3.03 0.00 0.00 6.20 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 0.00 151 E 8.59 2.54 0.00 1.16 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 0.00 2.06 1.72 0.00 152 N 8.05 4.20 0.00 2.89 2.83 0.00 0.00 7.03 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 0.00 153 E 8.55 4.04 0.00 2.26 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 2.42 0.00 154 F 8.16 4.30 0.00 3.21 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 0.00 155 I 8.00 3.53 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.08 0.85 0.00 0.00 156 A 7.55 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.09 3.39 1.45 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.42 0.34 0.00 0.00 158 C 7.01 4.38 0.00 2.74 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 0.00 159 T 7.33 4.62 4.17 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 1.25 0.00 0.00 160 D 8.48 4.90 0.00 2.58 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 0.00 161 S 7.77 4.13 0.00 3.75 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.