NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5159 8.3649 120.1806 54.0173 43.0718 175.7317 3 K 3.9741 7.7525 117.6200 55.9507 32.8666 175.3039 4 K 4.2685 8.8622 125.1336 55.6416 35.0253 175.1803 5 T 5.3135 9.2993 117.7393 62.0083 71.7444 173.2292 6 I 4.8547 9.0591 126.6648 59.2283 41.0902 173.4353 7 Y 5.3257 8.5872 129.9826 55.9973 41.4987 174.0431 8 F 5.0503 9.3510 127.1972 56.6114 40.8151 174.9986 9 I 4.9434 8.7589 125.1886 59.6220 40.1716 174.1431 10 C 5.0451 8.8252 125.1569 55.5021 47.6751 172.9464 11 T 3.9617 8.6747 123.3114 65.8132 68.0070 172.7836 12 G 3.7412 9.3605 116.0749 44.6791 0.0000 173.1147 13 N 4.7385 7.9605 116.2681 53.7996 37.9702 173.9630 14 S 4.7419 7.8111 112.2109 58.7549 65.6718 174.1998 15 C 4.8444 7.3203 117.2984 59.3741 34.0759 175.4373 16 R 3.8913 8.3662 117.2716 59.5607 30.3770 178.9389 17 S 4.1841 8.0062 113.1371 61.2288 63.2021 176.3363 18 Q 4.0895 7.9859 121.5333 58.9994 28.4930 178.1212 19 M 3.9275 8.1392 119.6715 58.0865 31.9787 178.6429 20 A 3.6343 7.8279 121.0614 54.8670 18.2988 179.3078 21 E 4.1287 8.2355 118.0074 59.2486 29.5916 179.2881 22 G 3.4815 8.1046 105.7294 47.7370 0.0000 175.8012 23 W 4.6005 8.3553 122.4668 59.1507 28.9679 178.8814 24 G 3.8636 8.7968 106.1556 48.0341 0.0000 175.8807 25 K 4.0848 8.4050 121.5584 58.9415 31.7771 179.1960 26 E 4.0626 7.9243 118.9767 59.2313 29.7502 178.3175 27 I 4.1709 8.1569 118.5500 63.2238 38.0098 177.3181 28 L 4.8660 8.4467 117.9997 54.5925 41.8547 178.3805 29 G 4.0285 7.7858 105.5267 48.2155 0.0000 175.2540 30 E 4.3337 8.4237 118.4010 58.2975 30.1495 177.4838 31 G 4.1495 8.2235 103.6652 45.3807 0.0000 172.6076 32 W 5.7140 8.4977 119.4075 54.9228 33.4892 174.3335 33 N 4.8188 9.5332 121.1435 51.9461 39.9064 174.0936 34 V 4.8260 8.0632 123.6110 61.3418 33.6680 174.1324 35 Y 5.1955 8.9071 124.4456 56.3989 42.5365 174.3813 36 S 5.5325 8.8405 114.1187 57.4038 66.5598 172.6112 37 A 4.8627 8.8622 122.2467 51.7291 23.1858 175.0280 38 G 4.2921 8.6776 105.1663 44.5531 0.0000 174.1675 39 I 3.7937 8.5444 121.0815 63.0024 38.4863 175.8351 40 E 4.7687 7.7776 116.3781 54.4236 32.6297 173.8255 41 T 4.9141 8.3335 109.9089 60.5712 70.5388 174.0531 42 H 4.8199 9.2570 120.8524 55.0974 30.1443 175.1323 43 G 4.0244 8.1725 105.3545 45.5166 0.0000 173.5520 44 V 3.7082 8.0182 121.0576 62.0642 32.0429 175.4186 45 N 4.5511 8.8298 127.4664 52.5709 39.4798 174.0298 46 P 4.3307 0.0000 0.0000 65.8861 31.2458 178.7333 47 K 3.9679 8.3778 118.1153 58.9217 31.9700 179.0514 48 A 4.1784 7.9919 121.4576 54.9142 18.3469 179.7682 49 I 3.6282 7.6511 118.0372 64.5087 37.1537 178.1118 50 E 3.9740 8.4998 120.1195 59.1214 29.2154 178.6923 51 A 4.0968 8.3080 121.0184 55.4837 18.3905 179.4914 52 M 3.8260 7.9452 116.6025 57.8770 32.1498 178.8743 53 K 3.9072 7.9959 120.0793 59.3423 32.0876 178.6992 54 E 4.1539 7.9643 118.3579 58.3142 29.3246 178.0048 55 V 4.3794 6.8272 112.6997 60.9186 32.0765 175.1780 56 D 4.3803 7.8475 116.5582 55.4710 38.7375 173.6976 57 I 4.1252 7.6181 119.6842 59.3991 38.6441 175.1701 58 D 4.5406 8.5572 126.1833 53.3061 40.9469 175.2954 59 I 4.1943 7.9076 119.9277 60.4086 37.9105 177.6915 60 S 4.1764 7.9058 117.7654 61.3036 62.9272 174.6526 61 N 4.6824 7.9431 116.2434 53.6989 38.8610 174.9651 62 H 4.5684 7.8348 115.9609 55.7383 29.4353 174.7116 63 T 4.5935 8.1451 111.0264 59.8020 71.3048 173.9129 64 S 4.6432 8.5465 117.9002 57.6384 62.2813 172.7906 65 D 5.1446 9.3604 128.4810 52.4023 43.5700 176.4746 66 L 4.9308 8.2969 120.9618 53.5648 43.0542 176.7542 67 I 3.8843 8.2131 122.0531 61.5608 37.8719 175.1087 68 D 4.7784 9.2819 127.2040 52.5189 42.5544 176.3569 69 N 4.2958 8.9503 124.9669 57.0636 38.6814 176.5071 70 D 4.2923 7.9845 118.5450 57.4909 41.2620 178.3688 71 I 3.5903 7.8729 120.3371 63.9723 36.8269 178.2489 72 L 4.2738 8.1537 121.3463 58.3105 41.7813 179.3025 73 K 4.1392 8.0277 117.2413 58.2665 31.9829 178.2725 74 Q 4.5198 7.1999 114.1056 54.9797 29.4433 175.7593 75 S 4.3696 7.4449 118.4512 59.0259 63.7554 174.8883 76 D 4.6859 9.2031 125.0160 56.7002 42.1967 176.4361 77 L 5.0542 7.9472 119.9750 53.5524 45.8920 174.6842 78 V 4.5649 8.8889 126.7817 61.0693 34.0109 174.2163 79 V 4.4487 8.4251 128.5725 61.0806 33.3472 174.2482 80 T 4.8025 8.4881 119.0441 61.0541 70.4191 175.2087 81 L 5.6969 8.8749 122.6988 54.0251 44.0685 175.4315 82 C 5.3787 7.9697 115.5912 54.6424 44.2307 174.7841 83 S 4.0063 8.9234 117.8964 61.3922 62.6870 175.4090 84 D 4.7376 7.9407 116.3988 52.8296 40.3132 177.7963 85 A 3.9908 7.8655 124.5420 55.5439 18.5794 179.5173 86 D 4.3207 8.1116 114.9597 57.3684 41.5093 177.9709 87 N 4.4011 7.6922 114.8323 55.5165 38.5841 175.2648 88 N 4.9607 7.6742 115.0091 52.8817 39.1012 174.4389 89 L 4.7328 7.2847 117.4134 52.1521 44.4657 175.1543 90 P 4.5895 0.0000 0.0000 61.4909 32.8912 175.4547 91 I 3.8484 8.0699 119.4391 61.2800 37.2049 175.8021 92 L 4.4976 8.2965 126.0533 52.5104 43.0268 175.0445 93 P 4.4760 0.0000 0.0000 61.7322 31.8929 175.4530 94 P 4.3048 0.0000 0.0000 65.5751 30.9789 177.1528 95 N 4.4473 8.1402 115.0258 54.3138 37.7401 174.6108 96 V 4.5402 7.5699 119.7071 60.4878 32.8352 175.3483 97 K 4.6096 8.6893 127.4974 55.3242 34.2019 175.6132 98 K 5.0614 8.4648 123.2145 54.8858 35.1458 175.0614 99 E 4.8650 9.1124 125.3135 54.8607 34.4675 173.7825 100 H 5.1838 8.8524 121.2287 53.6372 32.1128 173.6013 101 W 4.6518 8.9087 127.0913 54.5776 30.3830 174.3173 102 G 3.9313 8.1151 111.5426 45.7897 0.0000 170.5682 103 F 5.0761 8.3840 122.3618 55.2803 42.7464 175.0211 104 D 4.4345 8.8193 121.3489 54.2137 41.3494 175.7621 105 D 4.4684 8.4571 122.3596 53.2832 41.4643 174.3132 106 P 4.1082 0.0000 0.0000 62.4301 31.8927 175.4521 107 A 4.1308 7.7123 123.5530 53.9398 18.3145 177.8952 108 G 3.9503 9.1887 110.6231 46.0539 0.0000 172.8994 109 K 4.5792 7.6771 119.2981 53.9571 34.7589 175.8105 110 E 4.3244 8.4540 118.4221 56.5334 30.0461 178.3945 111 W 4.5686 8.9378 130.2499 60.5251 30.7684 178.4539 112 S 4.2113 8.2407 113.7450 60.9579 62.4716 176.0168 113 E 4.0147 8.0009 122.1751 59.0005 29.3271 178.9098 114 F 3.7653 7.9504 117.4764 60.4250 38.9682 177.6104 115 Q 3.8204 7.6704 117.7389 58.6427 28.4167 178.6622 116 R 3.8140 7.8217 119.7275 59.5020 30.2202 178.7434 117 V 3.5358 7.7795 118.0507 65.8623 31.5159 177.8276 118 R 3.9420 7.9582 118.4095 59.7841 29.9719 178.3346 119 D 4.2956 8.2465 118.4731 57.1161 40.7798 178.6555 120 E 3.9926 8.3423 119.5410 59.3305 29.4498 179.3531 121 I 3.1235 7.4601 119.9197 63.7428 37.0171 178.3194 122 K 2.8652 7.3190 120.3486 59.0221 31.7536 178.5001 123 L 3.7323 7.5366 120.2465 58.1346 41.9735 178.8226 124 A 3.6975 7.9460 120.5956 55.1330 18.2910 179.7133 125 I 4.0051 7.7454 118.3825 64.3723 37.0605 178.5420 126 E 3.9562 8.2362 119.7376 59.2154 29.0603 179.2438 127 K 3.8748 7.9550 118.9049 59.2528 32.5343 178.3609 128 F 4.2738 8.1495 121.0760 61.1710 39.1479 176.9454 129 K 3.8335 7.9399 118.0294 59.0689 31.9342 177.5937 130 L 4.4932 7.1191 116.9513 54.5588 41.8316 176.9259 131 R 4.0475 7.4513 123.9909 56.5842 29.9456 176.5040 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 D 8.36 4.52 0.00 2.59 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 3 K 7.75 3.97 0.00 1.71 1.65 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 K 8.86 4.27 0.00 0.79 0.90 0.00 0.96 0.00 0.00 1.37 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.07 0.87 7.81 5 T 9.30 5.31 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 1.37 0.00 0.00 6 I 9.06 4.85 1.42 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.92 0.84 0.00 0.00 7 Y 8.59 5.33 0.00 2.90 2.63 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 8 F 9.35 5.05 0.00 3.15 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 9 I 8.76 4.94 1.74 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.02 0.78 0.00 0.00 10 C 8.83 5.05 0.00 3.01 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 11 T 8.67 3.96 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 1.19 0.00 0.00 12 G 9.36 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 0.00 0.00 0.00 13 N 7.96 4.74 0.00 2.81 2.82 0.00 0.00 6.93 7.56 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 14 S 7.81 4.74 0.00 4.10 4.14 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 C 7.32 4.84 0.00 2.99 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.37 3.89 0.00 1.90 1.97 0.00 3.29 0.00 0.00 3.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 17 S 8.01 4.18 0.00 4.11 4.15 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 0.00 0.00 0.00 18 Q 7.99 4.09 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 19 M 8.14 3.93 0.00 2.03 2.15 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 2.80 2.48 0.00 20 A 7.83 3.63 0.30 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 21 E 8.24 4.13 0.00 2.26 2.17 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 2.28 2.39 0.00 22 G 8.10 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 23 W 8.36 4.60 0.00 3.25 3.07 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 24 G 8.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.41 4.08 0.00 1.99 1.91 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.66 7.81 26 E 7.92 4.06 0.00 1.96 2.34 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 2.54 2.56 0.00 27 I 8.16 4.17 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 0.97 0.00 0.00 28 L 8.45 4.87 0.00 1.94 1.88 0.87 0.84 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 29 G 7.79 4.03 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 0.00 0.00 0.00 30 E 8.42 4.33 0.00 2.17 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 2.50 0.00 31 G 8.22 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.50 5.71 0.00 3.35 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 33 N 9.53 4.82 0.00 2.69 2.68 0.00 0.00 6.46 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 34 V 8.06 4.83 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 1.04 0.00 0.00 1.10 0.00 0.00 35 Y 8.91 5.20 0.00 2.83 2.80 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 36 S 8.84 5.53 0.00 3.95 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.86 4.86 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 38 G 8.68 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 0.00 0.00 0.00 0.00 39 I 8.54 3.79 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.89 0.00 0.00 40 E 7.78 4.77 0.00 2.13 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 2.23 2.20 0.00 41 T 8.33 4.91 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 1.22 0.00 0.00 42 H 9.26 4.82 0.00 3.11 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.17 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.02 3.71 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 0.81 0.00 0.00 0.97 0.00 0.00 45 N 8.83 4.55 0.00 2.87 2.78 0.00 0.00 6.50 7.76 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 46 P 0.00 4.33 0.00 2.26 2.28 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 47 K 8.38 3.97 0.00 1.81 1.31 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.38 7.81 48 A 7.99 4.18 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 49 I 7.65 3.63 2.01 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 1.48 0.67 0.87 0.00 0.00 50 E 8.50 3.97 0.00 2.15 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 2.32 2.24 0.00 51 A 8.31 4.10 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 52 M 7.95 3.83 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.69 0.00 53 K 8.00 3.91 0.00 1.98 1.97 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 54 E 7.96 4.15 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 2.49 2.80 0.00 55 V 6.83 4.38 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 0.87 0.00 0.00 0.84 0.00 0.00 56 D 7.85 4.38 0.00 2.87 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 57 I 7.62 4.13 1.46 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 0.83 -0.28 0.61 0.00 0.00 58 D 8.56 4.54 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.91 4.19 1.32 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 0.65 0.00 0.00 60 S 7.91 4.18 0.00 3.93 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 61 N 7.94 4.68 0.00 2.76 2.92 0.00 0.00 6.96 8.16 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 62 H 7.83 4.57 0.00 3.21 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.15 4.59 4.28 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 1.24 0.00 0.00 64 S 8.55 4.64 0.00 3.96 3.87 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 65 D 9.36 5.14 0.00 2.66 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 66 L 8.30 4.93 0.00 1.55 1.60 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.21 3.88 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.48 0.81 0.00 0.00 68 D 9.28 4.78 0.00 2.74 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 69 N 8.95 4.30 0.00 2.87 2.80 0.00 0.00 7.21 8.49 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 70 D 7.98 4.29 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.87 3.59 1.38 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.99 -0.27 0.00 0.00 72 L 8.15 4.27 0.00 2.13 1.95 0.98 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.03 4.14 0.00 1.89 1.85 0.00 1.63 0.00 0.00 2.10 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.49 7.81 74 Q 7.20 4.52 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 75 S 7.44 4.37 0.00 4.09 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 76 D 9.20 4.69 0.00 2.97 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 77 L 7.95 5.05 0.00 1.87 1.43 0.96 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.89 4.56 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 0.83 0.00 0.00 0.98 0.00 0.00 79 V 8.43 4.45 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 -0.31 0.00 0.00 -0.44 0.00 0.00 80 T 8.49 4.80 4.28 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 1.16 0.00 0.00 81 L 8.87 5.70 0.00 1.71 1.96 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 82 C 7.97 5.38 0.00 2.95 2.95 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 83 S 8.92 4.01 0.00 3.86 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 84 D 7.94 4.74 0.00 2.87 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 85 A 7.87 3.99 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 86 D 8.11 4.32 0.00 2.73 2.63 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 87 N 7.69 4.40 0.00 2.97 2.85 0.00 0.00 6.96 7.88 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 88 N 7.67 4.96 0.00 2.61 2.78 0.00 0.00 6.78 7.89 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 89 L 7.28 4.73 0.00 1.72 1.50 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.59 0.00 2.17 2.07 0.00 3.74 0.00 0.00 3.63 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 91 I 8.07 3.85 1.87 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 1.41 0.53 0.91 0.00 0.00 92 L 8.30 4.50 0.00 1.63 1.60 0.91 1.10 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 93 P 0.00 4.48 0.00 2.38 2.18 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 94 P 0.00 4.30 0.00 2.21 2.26 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 95 N 8.14 4.45 0.00 2.86 3.00 0.00 0.00 5.87 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 96 V 7.57 4.54 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 0.99 0.00 0.00 1.02 0.00 0.00 97 K 8.69 4.61 0.00 1.92 1.76 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.62 7.81 98 K 8.46 5.06 0.00 1.69 1.62 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.38 7.81 99 E 9.11 4.86 0.00 1.75 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 2.34 2.29 0.00 100 H 8.85 5.18 0.00 3.09 3.22 0.00 5.69 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 0.00 101 W 8.91 4.65 0.00 3.26 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 0.00 102 G 8.12 3.93 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 0.00 103 F 8.38 5.08 0.00 2.94 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 0.00 104 D 8.82 4.43 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.47 0.00 2.62 2.56 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 0.00 106 P 0.00 4.11 0.00 0.49 1.69 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 107 A 7.71 4.13 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 0.00 108 G 9.19 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 0.00 109 K 7.68 4.58 0.00 1.83 1.78 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.49 7.81 110 E 8.45 4.32 0.00 2.11 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 2.47 2.37 0.00 111 W 8.94 4.57 0.00 3.41 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 0.00 112 S 8.24 4.21 0.00 4.11 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 0.00 113 E 8.00 4.01 0.00 2.19 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 2.33 2.48 0.00 114 F 7.95 3.77 0.00 2.56 2.34 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 0.00 115 Q 7.67 3.82 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.10 1.76 0.00 116 R 7.82 3.81 0.00 1.97 2.02 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 117 V 7.78 3.54 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 0.90 0.00 0.00 0.91 0.00 0.00 118 R 7.96 3.94 0.00 2.04 2.16 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.80 0.00 119 D 8.25 4.30 0.00 2.82 2.62 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 0.00 120 E 8.34 3.99 0.00 2.21 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 2.38 2.51 0.00 121 I 7.46 3.12 1.82 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 -0.36 0.70 0.00 0.00 122 K 7.32 2.87 0.00 0.79 1.28 0.00 0.68 0.00 0.00 1.08 0.00 0.00 2.80 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.68 0.21 7.81 123 L 7.54 3.73 0.00 1.79 1.72 0.84 0.96 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 0.00 124 A 7.95 3.70 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 0.00 125 I 7.75 4.01 1.98 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 1.99 1.15 1.08 0.00 0.00 126 E 8.24 3.96 0.00 2.07 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 2.24 2.31 0.00 127 K 7.96 3.87 0.00 1.71 1.82 0.00 1.69 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 128 F 8.15 4.27 0.00 3.23 3.32 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 0.00 129 K 7.94 3.83 0.00 1.96 1.96 0.00 2.00 0.00 0.00 1.73 0.00 0.00 3.32 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.56 7.81 130 L 7.12 4.49 0.00 1.56 1.62 0.89 0.89 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 0.00 131 R 7.45 4.05 0.00 1.70 1.79 0.00 3.21 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00