NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4242 8.3044 118.1953 55.2067 32.5302 174.4833 1 V 4.1828 7.8905 118.7214 60.8545 34.0595 173.3010 2 L 4.2955 8.3434 127.9215 54.0898 43.5089 177.0700 3 S 4.5459 8.6395 117.7047 57.6395 65.3666 175.1313 4 E 4.3013 8.8416 122.4790 59.3513 29.4045 179.0094 5 G 3.6520 8.1076 105.3221 47.9410 0.0000 175.2079 6 E 3.9237 7.9371 120.9628 58.9341 29.4574 179.5909 7 W 4.3337 8.1432 118.8232 59.7890 29.0647 178.5880 8 Q 4.1172 8.4811 118.2829 59.1535 28.2380 178.8681 9 L 4.1086 7.9239 119.6166 57.7419 41.5830 179.8872 10 V 3.7976 7.8724 118.3624 65.8328 31.6192 177.6949 11 L 4.4515 8.6978 117.8397 56.5394 41.2647 178.6551 12 H 4.3289 8.3432 119.4786 59.1568 29.9632 177.4310 13 V 3.7765 7.8723 120.2755 64.0806 31.3208 178.1465 14 W 3.9224 8.5232 129.3246 60.1982 30.2768 177.6997 15 A 3.9623 7.9803 119.9903 54.7065 18.0948 179.5793 16 K 3.9210 7.2209 117.6266 59.3453 32.2697 179.2382 17 V 2.7995 7.0140 118.5229 66.1079 30.9762 177.9026 18 E 3.8107 7.4809 115.7043 58.7482 29.2580 178.8819 19 A 4.1826 7.3861 119.8659 53.8157 19.7920 177.3119 20 D 4.6344 7.8074 116.5181 51.6338 41.7412 175.5731 21 V 3.4521 7.8608 122.7698 65.5473 32.0737 176.8392 22 A 4.0562 7.9563 120.1972 54.9941 18.3262 179.6672 23 G 3.6764 8.3047 105.5790 47.7509 0.0000 175.6537 24 H 4.1479 8.2604 119.0660 58.2953 28.6788 177.9507 25 G 3.6940 8.3438 107.8874 48.0732 0.0000 175.3404 26 Q 3.8755 8.0038 120.7080 58.7688 28.7852 178.4425 27 D 4.3356 7.9597 119.4136 57.8204 40.8864 179.1594 28 I 3.6440 7.7725 119.5614 64.6750 37.1318 178.5543 29 L 3.4378 7.6897 119.3378 57.5480 41.3441 179.5497 30 I 3.6890 7.5734 119.7048 64.4663 36.9912 178.3442 31 R 3.7817 7.8696 119.3852 59.2454 29.7549 178.3301 32 L 3.8928 7.8190 120.2057 58.3290 41.7473 179.0913 33 F 4.6182 7.9849 117.9416 60.3915 38.5540 177.9853 34 K 4.1076 8.5044 118.0669 59.4844 31.9951 179.3212 35 S 4.2329 8.2215 114.9344 60.3949 64.2699 174.5018 36 H 4.8028 8.2102 117.7674 50.6475 29.2059 171.6321 37 P 4.4771 0.0000 0.0000 64.8332 31.6693 177.3965 38 E 4.9140 8.6292 117.2471 59.3084 29.1024 179.3286 39 T 3.8576 8.2950 110.7192 64.3311 68.7435 176.1828 40 L 3.8360 8.0507 123.1477 57.7485 41.8733 178.6443 41 E 4.1041 8.2699 118.3850 58.9173 29.1231 178.8777 42 K 4.2821 8.1389 117.3971 57.1336 32.4894 176.9216 43 F 4.3027 8.1363 119.0309 55.7526 38.2325 176.1959 44 D 4.4243 8.3526 125.6772 55.7620 40.8980 177.5416 45 R 4.2491 7.4802 117.9471 56.5819 31.0173 176.4032 46 F 4.9185 7.9652 116.2096 59.1940 41.0342 179.8470 47 K 4.5978 7.2913 119.6337 59.1555 33.9772 175.9706 48 H 4.2942 8.2109 111.4171 57.5209 28.7077 175.4979 49 L 3.9918 7.4797 121.0611 55.3434 41.5551 177.0913 50 K 4.2603 9.8924 124.7293 57.5791 33.0862 176.9402 51 T 4.7395 7.3065 107.8639 58.9085 73.2822 174.1863 52 E 3.9513 8.6243 120.4035 59.0772 29.3505 178.4166 53 A 3.9592 7.8541 119.8954 55.2015 18.7546 178.9074 54 E 4.0379 8.1315 117.0621 59.7244 29.4943 179.5391 55 M 3.9742 8.0030 118.6838 58.4234 31.8738 179.0257 56 K 4.0347 8.2786 117.0296 58.3545 32.2304 178.1449 57 A 4.6051 7.2678 118.5665 50.8357 19.6425 176.8870 58 S 4.3301 7.3882 114.2320 57.4534 63.4241 174.3372 59 E 3.9381 8.7227 130.0591 59.2718 29.6294 178.1751 60 D 4.4412 8.1005 118.5671 57.5112 40.9827 178.3981 61 L 2.9345 7.6626 120.7112 57.6850 41.9071 178.9681 62 K 3.9025 7.7830 119.2776 59.1412 32.1156 179.0607 63 K 3.9991 8.2386 119.2192 59.6861 31.9087 178.8143 64 H 4.3866 8.4270 118.6354 59.1375 29.8093 177.3496 65 G 3.6713 8.2763 107.7434 47.8683 0.0000 175.7832 66 V 3.5840 7.7549 120.3987 66.0096 31.6130 178.0006 67 T 3.8884 7.9458 115.5021 66.6708 68.3202 176.0578 68 L 3.9667 8.1282 122.1737 58.4235 42.0816 179.1392 69 L 4.1993 8.1448 118.8416 57.8996 41.5132 179.5709 70 T 3.9380 8.3318 115.8837 66.6715 68.3256 176.2880 71 A 3.9873 8.0153 122.5234 55.1958 18.4265 179.4145 72 L 3.6998 8.1559 118.9209 58.1457 42.1292 179.4079 73 G 3.3607 8.5063 105.7705 47.7048 0.0000 175.5454 74 A 4.0684 7.8240 122.0029 54.6372 18.6105 179.4348 75 I 3.8624 7.3076 118.6619 64.2657 37.1746 178.4780 76 L 4.0029 7.7072 119.9237 57.4711 41.2144 179.3831 77 K 3.9495 7.6950 117.0514 58.4297 32.2292 179.0060 78 K 3.9148 7.9198 118.8693 56.5142 32.2074 176.8865 79 K 2.0000 8.2530 117.7362 56.4120 29.7095 175.9342 80 G 4.0077 7.9872 106.8384 45.8268 0.0000 174.4260 81 H 4.6176 7.5071 119.0434 54.8901 27.2857 174.7054 82 H 5.0840 7.1811 111.8701 54.3354 29.2938 176.5061 83 E 3.9676 8.5353 121.4569 60.3228 28.9595 179.2119 84 A 4.0561 7.9056 118.2645 55.2844 19.1178 179.0512 85 E 4.0690 8.1798 116.6411 59.4062 29.5815 179.0692 86 L 3.9720 8.1568 120.1250 57.3664 42.0912 178.9800 87 K 3.9615 7.7424 118.2162 59.0942 32.1025 177.4550 88 P 4.3220 0.0000 0.0000 65.5038 31.2189 178.2646 89 L 3.9699 7.4809 118.2035 58.1051 42.0578 178.6247 90 A 4.1763 8.4924 121.1990 55.3097 18.2829 179.4059 91 Q 3.9091 8.3451 118.3158 59.3616 29.0842 178.6081 92 S 4.1005 8.1718 115.2487 61.4939 63.0838 176.1208 93 H 4.0959 8.5034 119.7295 58.3303 28.3170 177.4404 94 A 2.7634 8.0998 121.9920 53.9090 18.2964 178.7536 95 T 4.0692 7.4726 112.5621 63.9645 70.1701 175.5196 96 K 4.1173 7.4560 119.8871 58.6680 33.1380 177.1789 97 H 4.2178 7.9121 115.0204 57.1310 29.2336 175.0839 98 K 3.1392 7.4548 116.3063 56.5846 27.8208 175.2031 99 I 4.3539 8.1071 119.2018 58.5027 38.5081 174.8199 100 P 4.5326 0.0000 0.0000 62.4323 32.0626 177.3484 101 I 3.6599 8.1188 120.8874 64.6842 36.9879 178.4474 102 K 3.8718 7.9136 121.0346 59.2007 31.7703 178.1342 103 Y 4.1719 7.9555 116.7121 60.9551 37.9102 178.2368 104 L 4.2455 7.9322 119.4380 57.5701 41.2794 179.2563 105 E 4.0435 8.0273 119.0111 59.2686 29.4905 179.0797 106 F 4.5332 7.8448 117.9042 60.8610 38.9543 177.5355 107 I 3.9616 8.1470 117.6971 63.6271 37.7832 178.0938 108 S 4.2357 8.0358 116.2505 61.5498 62.6657 176.0862 109 E 4.0428 8.4736 121.9568 59.2280 29.4273 178.7553 110 A 4.0911 8.0515 120.7553 55.0206 18.3079 179.7642 111 I 3.7341 8.1819 118.9580 64.7231 37.2543 178.7753 112 I 3.8306 8.0378 120.6385 64.3625 36.8491 178.1023 113 H 4.1532 8.4176 119.4090 59.2134 29.7538 177.5815 114 V 3.5477 7.9126 120.0425 65.9418 31.3688 177.9130 115 L 3.8158 7.9501 118.9619 58.0243 41.0843 178.9499 116 H 4.3765 7.8995 116.9423 59.4695 29.8283 177.2541 117 S 4.2034 7.7007 116.1087 61.5682 62.7936 176.4803 118 R 3.9947 7.8069 119.4748 57.9930 31.1230 177.2580 119 H 5.0312 8.0257 115.4952 54.0774 29.0693 173.9193 120 P 4.3370 0.0000 0.0000 65.7035 31.6772 179.0328 121 G 3.7243 8.0995 106.4981 47.2373 0.0000 173.7479 122 N 4.9846 8.2179 115.2887 53.0055 39.6087 174.6726 123 F 4.9266 7.8464 118.9891 56.4063 39.4166 174.0633 124 G 3.8957 7.6639 109.6682 43.4356 0.0000 172.2467 125 A 3.8958 8.4656 121.0290 55.5857 18.1088 179.5853 126 D 4.1850 7.9790 116.1456 57.5039 40.8938 178.8080 127 A 3.9556 7.7685 120.7520 55.0464 18.3256 179.3290 128 Q 3.1956 7.9112 118.6497 58.9685 28.9835 178.6845 129 G 3.4796 8.2550 106.8274 47.4846 0.0000 175.6451 130 A 3.8482 7.9091 123.1218 55.0620 18.4257 179.3048 131 M 3.9584 8.2734 117.0546 58.8329 32.2740 177.8503 132 N 4.3122 8.4047 117.3730 56.6237 39.0283 176.6079 133 K 3.8119 8.2183 120.8482 59.5668 32.2374 178.6748 134 A 3.8192 8.0682 121.1894 54.8425 18.1895 179.4210 135 L 4.1792 8.1454 117.4414 57.4376 41.7672 179.3273 136 E 3.9886 8.5455 119.2823 59.0589 29.3450 178.8034 137 L 3.9264 8.1598 120.5719 58.2181 42.1341 178.4731 138 F 4.1367 8.4440 120.4918 61.8338 39.1405 177.5137 139 R 3.4538 8.1981 117.2890 58.8617 29.8057 179.0318 140 K 3.8524 8.1956 119.6800 59.5749 32.2045 178.7250 141 D 4.3542 8.0414 119.2386 57.1625 40.6639 178.8656 142 I 3.3963 7.6997 120.6028 64.0893 36.9781 178.2154 143 A 3.9168 8.1583 123.0440 54.5145 18.2719 179.5947 144 A 3.9727 8.0136 119.2083 55.1674 18.4321 180.0721 145 K 4.0366 8.0229 117.1868 59.4929 32.0073 179.0728 146 Y 4.4290 8.2925 117.4772 61.1683 37.8366 178.6047 147 K 3.9127 8.1566 120.3126 59.8509 32.0870 178.6814 148 E 4.0785 7.9763 116.8526 58.9372 29.4384 178.5841 149 L 4.3440 7.7989 117.3447 55.2221 42.0000 177.6789 150 G 4.0606 7.9893 107.2824 45.3607 0.0000 173.1123 151 Y 4.3291 7.9505 120.4084 59.5868 40.0774 177.0795 152 Q 3.0662 7.1066 116.0120 57.2102 26.9021 174.5916 153 G 2.9250 6.9538 114.7844 44.7568 0.0000 171.0099 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 0 M 8.30 4.42 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.89 4.18 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 0.87 0.00 0.00 0.95 0.00 0.00 2 L 8.34 4.30 0.00 1.13 0.72 0.57 -0.32 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 3 S 8.64 4.55 0.00 4.07 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.84 4.30 0.00 2.20 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 2.43 2.52 0.00 5 G 8.11 3.65 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 0.00 0.00 0.00 6 E 7.94 3.92 0.00 1.92 1.73 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 2.22 2.27 0.00 7 W 8.14 4.33 0.00 3.57 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 8 Q 8.48 4.12 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 9 L 7.92 4.11 0.00 1.91 1.76 0.89 0.72 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 10 V 7.87 3.80 2.43 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 1.20 0.00 0.00 0.91 0.00 0.00 11 L 8.70 4.45 0.00 1.82 1.80 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.34 4.33 0.00 3.44 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 3.78 2.43 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 1.03 0.00 0.00 0.86 0.00 0.00 14 W 8.52 3.92 0.00 3.62 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 15 A 7.98 3.96 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 16 K 7.22 3.92 0.00 1.59 1.67 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.43 7.81 17 V 7.01 2.80 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 -0.06 0.00 0.00 0.44 0.00 0.00 18 E 7.48 3.81 0.00 1.96 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 2.13 2.09 0.00 19 A 7.39 4.18 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 20 D 7.81 4.63 0.00 2.69 2.51 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 21 V 7.86 3.45 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 1.06 0.00 0.00 0.84 0.00 0.00 22 A 7.96 4.06 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 8.30 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 0.00 0.00 0.00 24 H 8.26 4.15 0.00 3.12 3.25 0.00 5.83 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 8.34 3.69 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 0.00 0.00 0.00 26 Q 8.00 3.88 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 27 D 7.96 4.34 0.00 2.86 2.68 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 28 I 7.77 3.64 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 1.52 0.70 0.90 0.00 0.00 29 L 7.69 3.44 0.00 1.46 1.10 0.89 0.68 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 30 I 7.57 3.69 1.89 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 1.43 0.78 0.89 0.00 0.00 31 R 7.87 3.78 0.00 1.92 2.16 0.00 3.02 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 32 L 7.82 3.89 0.00 1.71 1.35 1.06 1.27 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 33 F 7.98 4.62 0.00 3.07 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 34 K 8.50 4.11 0.00 1.65 1.84 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.80 7.81 35 S 8.22 4.23 0.00 3.74 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 36 H 8.21 4.80 0.00 2.87 2.74 0.00 5.66 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 37 P 0.00 4.48 0.00 2.15 2.13 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 38 E 8.63 4.91 0.00 2.30 2.32 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 2.31 2.40 0.00 39 T 8.29 3.86 4.37 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 0.68 0.00 0.00 40 L 8.05 3.84 0.00 1.43 1.77 0.17 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.27 4.10 0.00 2.38 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 2.36 2.39 0.00 42 K 8.14 4.28 0.00 1.80 1.66 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.69 1.98 7.81 43 F 8.14 4.30 0.00 3.16 2.45 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 44 D 8.35 4.42 0.00 2.59 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 45 R 7.48 4.25 0.00 1.59 1.47 0.00 3.20 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.66 0.00 46 F 7.97 4.92 0.00 2.70 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 47 K 7.29 4.60 0.00 1.92 1.97 0.00 1.79 0.00 0.00 1.98 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.49 7.81 48 H 8.21 4.29 0.00 3.32 3.46 0.00 5.60 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 49 L 7.48 3.99 0.00 1.53 1.58 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.89 4.26 0.00 1.65 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.49 7.81 51 T 7.31 4.74 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 8.62 3.95 0.00 2.05 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 7.85 3.96 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 54 E 8.13 4.04 0.00 2.19 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 2.32 2.34 0.00 55 M 8.00 3.97 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 56 K 8.28 4.03 0.00 1.82 1.84 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.52 7.81 57 A 7.27 4.61 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 58 S 7.39 4.33 0.00 3.86 3.74 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 59 E 8.72 3.94 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 60 D 8.10 4.44 0.00 3.00 3.24 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 61 L 7.66 2.93 0.00 0.84 1.46 0.84 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.78 3.90 0.00 1.78 1.96 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 63 K 8.24 4.00 0.00 2.03 1.91 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.79 7.81 64 H 8.43 4.39 0.00 3.66 3.62 0.00 5.80 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 8.28 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 66 V 7.75 3.58 2.25 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 1.13 0.00 0.00 0.95 0.00 0.00 67 T 7.95 3.89 4.44 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 1.29 0.00 0.00 68 L 8.13 3.97 0.00 1.77 1.82 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.14 4.20 0.00 1.80 1.87 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.33 3.94 4.29 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 1.25 0.00 0.00 71 A 8.02 3.99 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 72 L 8.16 3.70 0.00 1.68 1.63 0.30 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 3.36 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 0.00 74 A 7.82 4.07 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 7.31 3.86 1.81 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 1.53 0.61 0.84 0.00 0.00 76 L 7.71 4.00 0.00 1.41 1.55 -0.15 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.70 3.95 0.00 1.66 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.52 7.81 78 K 7.92 3.91 0.00 1.87 1.73 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.76 7.81 79 K 8.25 2.00 0.00 1.31 0.74 0.00 1.49 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.78 7.81 80 G 7.99 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 0.00 0.00 0.00 81 H 7.51 4.62 0.00 3.17 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.18 5.08 0.00 3.32 3.44 0.00 5.68 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 83 E 8.54 3.97 0.00 2.09 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 2.50 0.00 84 A 7.91 4.06 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 85 E 8.18 4.07 0.00 2.27 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 0.00 2.40 2.44 0.00 86 L 8.16 3.97 0.00 2.00 1.68 0.99 0.51 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 87 K 7.74 3.96 0.00 1.90 1.86 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.59 7.81 88 P 0.00 4.32 0.00 2.30 2.34 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.48 3.97 0.00 1.91 1.93 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.49 4.18 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 91 Q 8.35 3.91 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 92 S 8.17 4.10 0.00 3.97 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 93 H 8.50 4.10 0.00 3.64 3.63 0.00 5.81 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 8.10 2.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.47 4.07 4.19 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 1.11 0.00 0.00 96 K 7.46 4.12 0.00 1.54 1.57 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.34 7.81 97 H 7.91 4.22 0.00 3.01 3.15 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.45 3.14 0.00 1.79 1.84 0.00 1.43 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.13 7.81 99 I 8.11 4.35 2.14 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 1.41 0.99 1.17 0.00 0.00 100 P 0.00 4.53 0.00 1.91 2.03 0.00 3.21 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 0.77 1.53 0.00 101 I 8.12 3.66 1.81 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.83 0.00 0.00 102 K 7.91 3.87 0.00 1.70 1.63 0.00 1.19 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 0.66 7.81 103 Y 7.96 4.17 0.00 3.25 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 7.93 4.25 0.00 1.82 1.81 0.78 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.03 4.04 0.00 2.05 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 2.32 2.42 0.00 106 F 7.84 4.53 0.00 3.19 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 8.15 3.96 2.02 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 1.59 1.59 1.10 0.00 0.00 108 S 8.04 4.24 0.00 4.27 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.47 4.04 0.00 2.18 2.27 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 2.39 2.41 0.00 110 A 8.05 4.09 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 0.00 111 I 8.18 3.73 2.10 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 1.62 0.76 1.03 0.00 0.00 112 I 8.04 3.83 2.08 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 1.70 1.07 1.12 0.00 0.00 113 H 8.42 4.15 0.00 3.39 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.91 3.55 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 1.04 0.00 0.00 115 L 7.95 3.82 0.00 0.45 0.60 0.67 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.90 4.38 0.00 3.49 3.64 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.70 4.20 0.00 3.91 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 0.00 118 R 7.81 3.99 0.00 1.57 1.53 0.00 2.81 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 119 H 8.03 5.03 0.00 3.26 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.75 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 4.34 0.00 2.21 2.26 0.00 3.64 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 2.06 1.94 0.00 121 G 8.10 3.72 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 0.00 0.00 0.00 122 N 8.22 4.98 0.00 2.80 2.93 0.00 0.00 6.66 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 0.00 123 F 7.85 4.93 0.00 2.97 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 0.00 124 G 7.66 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 0.00 125 A 8.47 3.90 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.98 4.18 0.00 2.65 2.68 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 0.00 127 A 7.77 3.96 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 0.00 128 Q 7.91 3.20 0.00 1.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 129 G 8.25 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.91 3.85 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.27 3.96 0.00 2.41 2.42 0.00 0.00 0.00 0.00 0.00 2.27 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 8.40 4.31 0.00 2.88 2.93 0.00 0.00 6.89 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 0.00 133 K 8.22 3.81 0.00 1.95 1.67 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.38 7.81 134 A 8.07 3.82 1.13 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 0.00 135 L 8.15 4.18 0.00 1.78 1.83 1.00 0.67 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 0.00 136 E 8.55 3.99 0.00 2.12 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 2.59 0.00 137 L 8.16 3.93 0.00 1.87 1.98 1.08 1.13 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 0.00 138 F 8.44 4.14 0.00 3.06 3.24 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 0.00 139 R 8.20 3.45 0.00 2.00 1.84 0.00 3.16 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 140 K 8.20 3.85 0.00 1.77 1.99 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.04 4.35 0.00 2.78 2.68 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 0.00 142 I 7.70 3.40 1.21 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 -0.00 0.00 0.00 143 A 8.16 3.92 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 0.00 144 A 8.01 3.97 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 0.00 145 K 8.02 4.04 0.00 2.01 1.92 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 146 Y 8.29 4.43 0.00 3.39 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 8.16 3.91 0.00 1.87 2.05 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.98 4.08 0.00 2.17 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 2.36 2.57 0.00 149 L 7.80 4.34 0.00 1.85 1.72 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.95 4.33 0.00 2.45 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 0.00 152 Q 7.11 3.07 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 153 G 6.95 2.93 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 0.00 0.00 0.00 0.00 0.00 0.00