NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.5190 8.3044 118.3317 55.4874 32.5699 174.8812 5 S 4.2617 7.7991 113.5390 56.0080 64.6527 171.3831 6 L 4.6642 9.3674 129.0386 55.4998 43.5637 174.7673 7 Y 5.1573 9.4646 123.1911 56.3097 42.9443 174.1646 8 R 5.2708 8.8790 120.5206 54.6592 34.1649 173.6481 9 L 5.2471 9.1801 127.0290 53.3710 45.7110 174.8129 10 I 5.1484 8.9818 127.2744 59.6989 39.9860 174.2700 11 Y 5.4431 8.6919 124.2251 55.3852 42.0374 174.0682 12 S 5.3203 9.1565 114.3399 56.8939 67.0286 172.7458 13 S 5.0171 8.7718 113.7073 57.2823 67.2148 172.8981 14 Q 4.6059 9.0842 120.6940 54.5043 29.4100 176.0462 15 G 4.2019 9.3974 114.0839 46.0089 0.0000 173.0219 16 I 4.1167 8.6488 116.6934 60.0097 38.3442 175.2849 17 P 4.2478 0.0000 0.0000 65.8192 31.2459 177.0081 18 N 4.6888 7.9842 112.0895 52.7849 38.9928 175.0939 19 L 3.9854 7.5865 121.5091 56.2735 42.3843 177.6979 20 Q 4.6332 8.7349 121.5514 52.6799 29.9192 171.7930 21 P 4.4125 0.0000 0.0000 67.2163 31.1745 179.8461 22 Q 4.0922 8.0121 119.4206 60.1544 28.1560 182.1893 23 D 4.5781 7.9093 119.6232 57.2393 40.8121 178.5884 24 L 4.1750 7.8940 121.0651 57.4848 41.7588 179.8579 25 K 4.1224 7.7203 125.6794 60.2413 31.5058 184.6037 26 D 4.5982 8.1118 121.6659 58.0917 39.6191 181.6216 27 I 3.8602 7.5478 119.7091 64.3479 37.1944 177.9819 28 L 3.9993 7.8157 124.8571 58.2972 41.9057 179.4610 29 E 4.0109 8.2300 118.0053 61.1905 29.5709 181.0475 30 S 4.2664 7.7752 116.4186 61.4919 62.6929 176.8110 31 S 4.1172 8.1663 116.8853 61.9418 62.3797 176.6399 32 Q 4.1365 8.3877 120.5215 57.8935 28.4376 178.2128 33 R 4.0979 7.6803 119.5213 59.0743 29.5082 177.5700 34 N 4.5867 8.5775 116.3533 55.7101 38.8954 177.3064 35 N 4.4409 8.4925 118.3328 55.7703 38.7275 175.4827 36 P 4.2602 0.0000 0.0000 65.7236 31.3228 178.4745 37 A 4.1462 7.3573 114.3293 54.1939 18.3214 178.2019 38 N 4.8085 8.0372 112.9321 52.4377 39.4011 175.8230 39 G 3.9211 7.8765 108.1758 45.5325 0.0000 173.2357 40 I 4.5936 7.5480 121.2925 60.6759 38.6028 175.1125 41 T 4.9701 9.7892 116.5863 59.2479 72.5462 173.4353 42 G 4.2911 7.5321 106.9437 46.4414 0.0000 170.7078 43 L 4.9767 7.3543 120.0909 53.3906 45.8784 174.4966 44 L 5.0221 8.7847 127.6781 53.4704 44.8518 174.5495 45 C 5.3332 9.6569 124.8935 58.1507 31.2397 172.0706 46 Y 5.0908 9.0069 124.2182 55.9333 41.3593 174.3488 47 S 4.6330 8.5228 123.2562 55.2549 64.9603 173.3142 48 K 3.1188 7.9275 127.3239 54.5927 31.7100 172.2507 49 P 4.6240 0.0000 0.0000 61.5048 32.7992 174.3330 50 A 4.7422 7.8865 123.0195 51.5363 20.7042 177.0562 51 F 5.3499 9.1827 120.4136 55.8569 41.9306 174.8428 52 L 4.9804 9.3338 124.1600 53.3769 45.0935 174.8635 53 Q 4.9767 8.4495 127.3168 54.0944 32.8605 173.9383 54 V 4.8813 8.4400 125.4388 59.9521 34.1070 174.4663 55 L 5.2791 9.1508 123.8131 53.0209 44.8418 175.2766 56 E 5.1993 10.4775 122.9138 53.8018 33.5132 176.1092 57 G 4.2981 8.2130 108.4757 45.9800 0.0000 171.0219 58 E 4.5035 8.1996 120.3987 56.2762 30.4534 176.9072 59 C 3.6810 9.2472 129.1296 63.6528 31.4320 176.8746 60 E 3.9838 8.0484 118.8512 61.0187 29.3010 180.7044 61 Q 4.2224 7.8396 117.6798 58.7967 29.0264 178.4344 62 V 3.6419 8.0581 119.5578 66.1372 31.5976 177.8653 63 N 4.4546 8.2538 116.1704 56.2280 38.2496 176.9424 64 E 3.9566 8.2023 120.6922 59.6774 29.7421 179.1212 65 T 3.8671 8.0687 115.6532 66.6906 68.4730 176.0365 66 Y 4.0063 8.4478 121.7823 61.2218 38.6446 177.9814 67 H 3.8937 8.0565 114.7706 57.7876 29.1623 177.4915 68 R 3.9983 7.6321 121.3756 59.2619 29.9200 178.2845 69 I 3.5872 7.6253 119.6455 64.3966 36.8486 178.4462 70 V 3.2461 7.1777 118.0306 65.8370 31.2440 177.3018 71 Q 4.1523 7.4494 114.9017 55.6912 29.2361 175.7240 72 D 4.4201 7.9177 124.3383 54.6760 41.7676 177.1462 73 E 4.1777 8.7020 120.8460 57.3120 30.3133 175.6342 74 R 4.5219 8.9777 117.1550 57.5649 30.6066 175.2875 75 H 5.3534 7.8011 112.5220 55.2389 31.7286 171.4667 76 H 4.6129 9.1997 114.6207 55.2088 31.6920 173.0022 77 S 3.7680 8.7748 113.1114 58.8031 60.0434 171.4984 78 P 4.5904 0.0000 0.0000 63.1538 32.2167 176.1599 79 Q 4.6127 9.5715 120.0520 54.0058 31.8976 174.8065 80 I 4.1179 8.5714 125.9947 61.7831 37.1882 176.0744 81 I 4.2166 8.8652 128.6402 63.2039 38.2975 176.0183 82 E 4.7665 7.8202 120.7060 55.1413 33.2305 173.5214 83 C 5.3414 8.4328 125.8048 58.4781 34.6259 172.6083 84 M 4.5135 8.6960 121.8460 53.4317 34.4055 172.5145 85 P 4.0856 0.0000 0.0000 62.4749 32.1444 175.6491 86 I 4.5488 8.0495 115.6540 59.0645 39.9649 176.0559 87 R 4.0461 8.7610 122.5959 59.1209 30.2936 177.1528 88 R 4.4094 7.0923 109.8595 55.3438 31.3289 174.3953 89 R 4.3600 8.5057 118.2851 56.4674 30.7410 176.3283 90 N 4.6295 9.3389 116.7546 53.2255 40.8229 175.8055 91 F 4.7094 8.2582 117.1917 56.9617 39.4167 177.1862 92 E 4.2072 8.0692 119.4572 58.3738 29.5728 177.7958 93 V 3.7815 7.3221 111.7021 61.9937 32.3837 175.7263 94 W 5.1729 7.9810 120.6887 54.4998 31.5973 176.1050 95 S 4.2957 9.1031 118.3865 60.8795 62.5207 174.1445 96 M 4.8682 7.4496 116.4077 54.4133 34.8458 173.3969 97 Q 4.4411 8.2737 124.1761 54.2106 33.2674 173.3055 98 A 5.1448 8.2436 124.3329 50.1360 22.0259 175.4264 99 I 4.4764 8.6759 122.8220 59.4768 40.8238 174.5385 100 T 4.9285 8.5874 117.0422 60.3095 70.5913 174.0906 101 V 4.4605 8.8193 126.3047 61.4664 33.9475 173.8757 102 N 4.9137 8.5668 126.3750 52.1050 39.6178 174.1841 103 D 4.3835 8.7057 115.9865 57.6006 41.4548 178.0660 104 L 4.2601 7.8168 116.7678 55.8819 42.0766 177.3912 105 S 4.3615 7.4890 114.9266 58.3674 63.4978 174.9319 106 T 4.0214 8.5006 119.5731 64.1957 70.0605 175.5032 107 E 4.0289 8.7734 123.3528 59.4428 29.4276 179.4429 108 Q 3.9775 8.1037 119.3405 59.1833 29.1556 178.5421 109 V 3.7165 7.7154 118.6275 65.9902 31.8736 177.7626 110 K 3.9869 8.4538 118.6616 60.1470 31.9562 179.4769 111 T 3.9643 8.3256 115.8907 66.1851 68.0136 176.6770 112 L 4.0502 7.5605 121.8424 58.2062 42.1153 178.5754 113 V 3.7297 8.0973 118.2786 66.2053 31.2493 177.7765 114 L 4.0953 7.9796 119.6070 57.8219 41.6886 178.6766 115 K 3.7900 7.8456 119.0414 58.5943 32.0792 176.7143 116 Y 4.7483 7.3780 113.1095 57.5178 38.8408 174.6100 117 S 4.6129 7.6016 114.0771 57.0633 66.1057 174.4685 118 G 3.5107 8.5568 108.4711 47.5916 0.0000 173.2841 119 F 4.8452 7.5638 116.3557 55.8726 43.0522 174.4445 120 T 4.1283 8.7100 115.6749 63.7300 67.5306 174.2278 121 T 4.4528 7.6119 111.1152 59.6456 70.4690 173.9969 122 L 3.8271 8.2939 127.2504 55.1020 42.5508 176.6498 123 R 4.4166 8.1168 124.5800 53.5028 31.5891 173.9738 124 P 4.2795 0.0000 0.0000 65.0395 31.6653 178.9733 125 S 4.2446 8.0969 110.9927 59.9465 63.0115 174.4159 126 A 4.7216 7.8296 123.1392 51.8983 19.0741 175.7673 127 M 4.9449 7.8769 117.3072 54.0340 35.2133 176.1599 128 D 4.7249 8.9608 123.0958 52.0207 42.1564 175.8777 129 P 4.2147 0.0000 0.0000 65.8884 31.2230 178.5583 130 E 3.9952 8.2284 117.4654 59.3421 29.5570 178.7778 131 Q 3.9862 8.6794 118.2655 58.9896 28.8181 178.2892 132 C 4.1187 8.2579 117.9099 62.8303 28.1451 176.0280 133 L 4.0221 8.3193 122.0902 58.3845 41.7292 178.7942 134 N 4.1681 8.1870 116.5138 55.8826 38.2483 177.2688 135 F 3.9277 7.8710 122.1839 61.2698 39.5638 177.2112 136 L 3.7751 8.0285 118.5490 57.5859 41.3215 179.4710 137 L 3.9853 8.2564 119.1191 58.0808 41.5113 179.2706 138 D 4.3603 8.0911 118.6374 57.5319 40.5733 178.8496 139 I 3.7443 7.5579 117.8938 63.4417 38.1402 177.5690 140 A 4.5245 8.1739 122.0371 55.2798 18.1412 179.3622 141 K 3.8785 8.1326 117.0589 59.1599 32.2324 177.8756 142 I 4.3024 7.5639 110.8007 61.4839 38.2923 176.1630 143 Y 4.5331 7.9836 117.2540 56.7850 38.8015 174.7520 144 E 4.8392 7.9420 121.8698 55.3831 30.7683 175.7005 145 L 4.6837 8.6063 126.6151 55.4362 42.2136 175.8701 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 4 M 8.30 4.52 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 5 S 7.80 4.26 0.00 4.14 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 6 L 9.37 4.66 0.00 1.86 1.56 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.46 5.16 0.00 3.01 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 8 R 8.88 5.27 0.00 1.89 1.71 0.00 3.18 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 9 L 9.18 5.25 0.00 1.72 1.46 0.53 0.79 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 10 I 8.98 5.15 1.87 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 0.63 0.88 0.00 0.00 11 Y 8.69 5.44 0.00 3.19 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 12 S 9.16 5.32 0.00 4.01 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 13 S 8.77 5.02 0.00 4.18 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 0.00 14 Q 9.08 4.61 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 15 G 9.40 4.20 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 0.00 16 I 8.65 4.12 1.93 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 1.41 0.79 1.07 0.00 0.00 17 P 0.00 4.25 0.00 2.08 2.20 0.00 3.71 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 2.05 2.16 0.00 18 N 7.98 4.69 0.00 2.70 2.86 0.00 0.00 6.89 7.85 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 19 L 7.59 3.99 0.00 1.63 1.54 1.05 1.32 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 20 Q 8.73 4.63 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 21 P 0.00 4.41 0.00 2.14 2.12 0.00 3.55 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 2.11 2.15 0.00 22 Q 8.01 4.09 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 23 D 7.91 4.58 0.00 2.89 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 24 L 7.89 4.18 0.00 1.57 1.64 0.28 0.91 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 25 K 7.72 4.12 0.00 1.80 1.81 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 26 D 8.11 4.60 0.00 2.70 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 27 I 7.55 3.86 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.43 0.73 0.00 0.00 28 L 7.82 4.00 0.00 1.89 1.62 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.23 4.01 0.00 2.02 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 2.25 2.23 0.00 30 S 7.78 4.27 0.00 4.00 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 31 S 8.17 4.12 0.00 4.02 4.16 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 32 Q 8.39 4.14 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 33 R 7.68 4.10 0.00 1.93 2.11 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 34 N 8.58 4.59 0.00 2.73 2.83 0.00 0.00 7.05 6.69 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 35 N 8.49 4.44 0.00 2.96 3.13 0.00 0.00 6.98 7.78 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 36 P 0.00 4.26 0.00 2.17 2.13 0.00 3.72 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 2.23 2.20 0.00 37 A 7.36 4.15 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 N 8.04 4.81 0.00 2.73 2.87 0.00 0.00 7.05 6.99 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 39 G 7.88 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 40 I 7.55 4.59 1.91 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 1.43 1.45 0.96 0.00 0.00 41 T 9.79 4.97 4.68 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 1.33 0.00 0.00 42 G 7.53 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 43 L 7.35 4.98 0.00 1.73 1.07 0.70 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.78 5.02 0.00 1.70 1.54 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.66 5.33 0.00 2.91 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 46 Y 9.01 5.09 0.00 3.11 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 47 S 8.52 4.63 0.00 3.72 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.93 3.12 0.00 1.81 1.64 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.04 7.81 49 P 0.00 4.62 0.00 2.14 2.19 0.00 3.47 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.87 0.00 50 A 7.89 4.74 1.14 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 0.00 0.00 51 F 9.18 5.35 0.00 3.12 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 9.33 4.98 0.00 1.62 1.47 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.45 4.98 0.00 1.85 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 54 V 8.44 4.88 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 -0.13 0.00 0.00 0.93 0.00 0.00 55 L 9.15 5.28 0.00 1.61 1.65 1.11 0.88 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 56 E 10.48 5.20 0.00 1.94 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 2.35 2.38 0.00 57 G 8.21 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.20 4.50 0.00 2.04 1.86 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 2.40 2.46 0.00 59 C 9.25 3.68 0.00 2.70 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 60 E 8.05 3.98 0.00 2.01 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 2.31 1.97 0.00 61 Q 7.84 4.22 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.88 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 62 V 8.06 3.64 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 1.01 0.00 0.00 1.07 0.00 0.00 63 N 8.25 4.45 0.00 2.94 2.91 0.00 0.00 6.69 7.09 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 64 E 8.20 3.96 0.00 2.14 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 2.31 2.50 0.00 65 T 8.07 3.87 4.41 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 1.24 0.00 0.00 66 Y 8.45 4.01 0.00 2.87 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 67 H 8.06 3.89 0.00 3.21 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.63 4.00 0.00 1.86 2.08 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 69 I 7.63 3.59 1.73 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 1.34 0.54 0.84 0.00 0.00 70 V 7.18 3.25 1.65 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 0.66 0.00 0.00 -0.04 0.00 0.00 71 Q 7.45 4.15 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 72 D 7.92 4.42 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 4.18 0.00 2.03 1.83 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 2.23 1.90 0.00 74 R 8.98 4.52 0.00 1.92 2.06 0.00 3.09 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 75 H 7.80 5.35 0.00 3.69 3.58 0.00 5.60 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 76 H 9.20 4.61 0.00 3.35 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.77 3.77 0.00 4.01 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 78 P 0.00 4.59 0.00 2.26 1.98 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 79 Q 9.57 4.61 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 80 I 8.57 4.12 1.86 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 0.91 0.49 0.81 0.00 0.00 81 I 8.87 4.22 2.03 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 1.13 0.56 0.92 0.00 0.00 82 E 7.82 4.77 0.00 2.00 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 0.00 2.27 2.31 0.00 83 C 8.43 5.34 0.00 2.95 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 84 M 8.70 4.51 0.00 2.03 1.95 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 2.35 2.43 0.00 85 P 0.00 4.09 0.00 1.75 1.78 0.00 3.35 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 86 I 8.05 4.55 1.84 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 1.21 0.66 0.91 0.00 0.00 87 R 8.76 4.05 0.00 1.80 2.01 0.00 3.38 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 88 R 7.09 4.41 0.00 1.82 1.82 0.00 2.99 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 89 R 8.51 4.36 0.00 1.81 2.02 0.00 3.19 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 90 N 9.34 4.63 0.00 1.83 2.13 0.00 0.00 6.81 7.01 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 91 F 8.26 4.71 0.00 3.38 3.15 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 92 E 8.07 4.21 0.00 2.06 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 2.19 2.22 0.00 93 V 7.32 3.78 1.80 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 0.52 0.00 0.00 -0.11 0.00 0.00 94 W 7.98 5.17 0.00 3.53 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 95 S 9.10 4.30 0.00 4.03 4.08 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 96 M 7.45 4.87 0.00 1.96 1.92 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 2.40 2.53 0.00 97 Q 8.27 4.44 0.00 1.20 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 1.16 1.68 0.00 98 A 8.24 5.14 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 0.00 0.00 0.00 0.00 0.00 99 I 8.68 4.48 1.63 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.56 0.19 0.00 0.00 100 T 8.59 4.93 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 1.30 0.00 0.00 101 V 8.82 4.46 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 1.02 0.00 0.00 1.11 0.00 0.00 102 N 8.57 4.91 0.00 2.92 2.88 0.00 0.00 6.22 7.87 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 0.00 103 D 8.71 4.38 0.00 2.66 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 0.00 104 L 7.82 4.26 0.00 1.71 1.73 0.94 0.89 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 0.00 105 S 7.49 4.36 0.00 4.19 3.89 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 0.00 106 T 8.50 4.02 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 107 E 8.77 4.03 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 2.33 0.00 108 Q 8.10 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 109 V 7.72 3.72 2.35 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 1.20 0.00 0.00 1.17 0.00 0.00 110 K 8.45 3.99 0.00 2.00 1.90 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.71 7.81 111 T 8.33 3.96 4.41 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 1.22 0.00 0.00 112 L 7.56 4.05 0.00 2.06 2.08 0.93 1.73 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 0.00 113 V 8.10 3.73 2.26 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 0.94 0.00 0.00 1.06 0.00 0.00 114 L 7.98 4.10 0.00 2.04 1.77 0.89 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.85 3.79 0.00 1.84 1.58 0.00 1.67 0.00 0.00 1.31 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.72 1.21 7.81 116 Y 7.38 4.75 0.00 3.13 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 0.00 117 S 7.60 4.61 0.00 3.89 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 0.00 118 G 8.56 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 7.56 4.85 0.00 2.95 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 0.00 120 T 8.71 4.13 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 121 T 7.61 4.45 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 1.18 0.00 0.00 122 L 8.29 3.83 0.00 1.38 1.47 0.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.12 4.42 0.00 1.83 1.74 0.00 3.02 0.00 0.00 3.09 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 124 P 0.00 4.28 0.00 2.15 2.05 0.00 3.53 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 125 S 8.10 4.24 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 0.00 126 A 7.83 4.72 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 0.00 127 M 7.88 4.94 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 128 D 8.96 4.72 0.00 2.92 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 0.00 129 P 0.00 4.21 0.00 2.18 2.16 0.00 3.61 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 2.12 2.32 0.00 130 E 8.23 4.00 0.00 2.05 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 0.00 2.39 2.41 0.00 131 Q 8.68 3.99 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 132 C 8.26 4.12 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.02 0.00 1.74 1.66 1.11 0.68 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 0.00 134 N 8.19 4.17 0.00 2.21 2.20 0.00 0.00 6.70 7.65 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 0.00 135 F 7.87 3.93 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 0.00 136 L 8.03 3.78 0.00 2.01 1.73 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.26 3.99 0.00 1.78 1.64 0.86 0.94 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 0.00 138 D 8.09 4.36 0.00 2.78 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 0.00 139 I 7.56 3.74 1.15 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 1.21 0.79 0.50 0.00 0.00 140 A 8.17 4.52 1.76 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 0.00 0.00 141 K 8.13 3.88 0.00 1.88 2.11 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.45 7.81 142 I 7.56 4.30 1.92 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 1.88 1.10 0.96 0.00 0.00 143 Y 7.98 4.53 0.00 3.08 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 0.00 144 E 7.94 4.84 0.00 2.36 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.80 0.00 145 L 8.61 4.68 0.00 1.75 1.68 0.95 1.21 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