NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4550 8.3044 118.1949 55.1297 32.5720 174.1806 1 V 4.2473 7.8962 118.1412 60.6652 34.3316 173.4282 2 L 4.3864 8.2970 127.2955 53.7427 43.7597 176.8033 3 S 4.5027 8.6384 117.1021 57.7682 65.2150 175.0775 4 E 4.2484 8.8450 122.5998 59.6258 29.4546 179.1738 5 G 3.5987 8.0687 105.2694 47.5471 0.0000 175.4955 6 E 3.9007 8.1286 120.8727 59.1818 29.4141 179.4370 7 W 4.3383 8.1626 118.9510 59.9361 29.0768 178.6143 8 Q 4.1405 8.6026 118.2975 58.9358 27.9627 178.8301 9 L 4.0762 7.9337 119.7432 57.5904 41.6359 179.7094 10 V 3.7687 7.8852 118.1994 66.2716 31.6486 178.2226 11 L 4.2940 8.5527 118.7043 57.4713 41.2378 179.0348 12 H 4.2405 8.5437 119.1405 59.2775 29.8677 177.7039 13 V 3.5422 7.7822 121.1363 64.4745 31.3174 178.1509 14 W 3.9822 8.6327 128.8479 60.0481 30.2649 177.7612 15 A 4.0045 7.9897 120.2705 54.9935 18.0339 179.4942 16 K 3.9515 7.4089 116.7143 59.3641 32.1150 179.4947 17 V 2.8352 7.1581 118.5133 65.9456 31.0336 177.7018 18 E 3.8907 7.5436 115.3991 58.0480 29.2868 178.5508 19 A 4.1917 7.4943 120.6589 53.7936 19.8699 177.5771 20 D 4.6565 7.9337 116.7327 52.0163 42.3110 175.5525 21 V 3.4527 7.8332 122.9000 65.5541 32.0927 176.8370 22 A 4.0378 7.9433 120.2015 55.0748 18.3414 179.6468 23 G 3.6538 8.2225 105.5946 47.7665 0.0000 175.6768 24 H 4.1740 8.2821 118.8958 58.3883 28.6665 178.1386 25 G 3.5539 8.3569 107.9490 47.6853 0.0000 175.5680 26 Q 3.8195 8.0606 121.8892 59.0536 29.1219 177.9338 27 D 4.2932 7.9163 119.8801 57.4766 40.8225 179.0540 28 I 3.6568 7.8399 120.2175 64.3806 37.0530 178.5892 29 L 3.4934 7.6694 119.8344 57.5050 41.2522 179.6286 30 I 3.6417 7.6713 119.8744 64.2005 37.0157 178.3257 31 R 3.7786 7.9731 119.6193 59.2279 29.7796 178.2276 32 L 3.9040 7.7659 119.9429 58.4320 41.9855 179.1403 33 F 4.5330 8.0586 117.8956 60.4088 38.5363 177.9056 34 K 4.0467 8.2642 118.0195 59.3197 31.9862 179.2718 35 S 4.2608 7.9921 114.7934 60.5080 64.2290 174.6260 36 H 4.8034 8.2746 118.2477 52.1806 29.6349 171.9465 37 P 4.5565 0.0000 0.0000 64.5448 31.3877 177.6431 38 E 4.0929 8.2473 116.4502 59.5661 29.3941 179.1437 39 T 3.8240 8.2781 110.9991 64.2515 68.7411 176.2952 40 L 3.7089 7.8672 123.3011 58.0655 41.7751 178.6458 41 E 4.0281 7.8872 117.5865 58.9018 29.4473 178.7668 42 K 4.4757 8.1879 116.9715 56.7256 32.8401 176.8685 43 F 4.6318 8.3068 119.3921 55.2801 39.0679 175.5685 44 D 4.3828 8.6811 126.3883 57.2520 40.8995 178.5993 45 R 3.7928 7.8700 117.7986 58.4015 30.1770 176.6335 46 F 5.0771 7.8544 113.7216 56.8018 40.6169 176.8235 47 K 4.0015 8.1758 121.5318 58.9088 32.0962 177.0340 48 H 4.4741 8.1272 112.6182 57.0726 29.1341 175.4268 49 L 4.1496 7.5866 121.6068 54.7563 41.6554 176.7433 50 K 4.3091 9.1280 123.9399 57.5734 33.3719 177.2357 51 T 4.7422 7.2903 107.2975 58.8509 73.3090 174.2483 52 E 3.8968 8.6636 121.3107 59.3265 29.5063 178.7108 53 A 4.0022 7.9377 120.3852 55.2775 18.2808 179.2949 54 E 3.9427 8.0010 115.9790 59.7215 29.8318 179.2386 55 M 4.1683 8.0998 118.7888 58.3984 31.8447 179.0175 56 K 3.9969 8.4643 117.4121 58.6937 32.2646 178.2747 57 A 4.5241 7.3828 118.5080 51.1593 19.4819 176.8675 58 S 4.3170 7.4909 114.1320 57.2721 62.8575 174.4988 59 E 4.0013 8.8765 129.1532 59.2312 29.4614 178.0366 60 D 4.4118 8.1152 117.8468 57.2833 41.3692 177.8384 61 L 3.4711 8.1075 120.8929 57.7951 42.1514 178.8080 62 K 3.8691 7.8943 119.1445 59.3878 32.1163 178.8768 63 K 3.9983 8.3168 118.9307 59.8371 31.9133 178.8139 64 H 4.4095 8.5612 118.6420 59.1426 29.8053 177.3886 65 G 3.6078 8.3250 107.8304 47.8932 0.0000 175.7965 66 V 3.6267 7.7214 120.0717 65.9525 31.5301 178.2841 67 T 3.8773 7.8327 115.5296 66.5474 68.3133 176.6297 68 V 3.5778 7.9238 120.2593 66.3091 31.6347 178.1956 69 L 4.2720 8.1250 118.5140 57.9217 41.4826 179.6886 70 T 3.9825 8.2664 115.8359 66.5654 68.2626 176.5362 71 A 4.0109 8.0691 122.7439 55.0406 18.3892 179.5159 72 L 3.7449 8.0694 119.0583 58.0916 42.1587 179.2547 73 G 3.4399 8.7277 105.8673 47.8158 0.0000 175.4784 74 A 4.0221 7.7346 121.9565 54.7826 18.7257 179.6407 75 I 3.7943 7.4049 118.4700 64.6000 37.2613 178.6853 76 L 3.9984 7.9737 120.1893 57.5910 41.1573 179.4917 77 K 4.0002 7.6414 116.9168 58.2689 32.2847 178.7917 78 K 3.9489 7.8221 118.0925 56.2533 32.3561 176.7206 79 K 2.0000 8.2944 118.0755 56.4374 29.8485 175.8070 80 G 3.9768 8.0124 106.3375 45.7420 0.0000 174.2038 81 H 4.7383 7.5185 118.6324 54.5454 27.4826 174.8390 82 H 5.1930 7.2969 111.1535 54.2796 29.6858 176.1043 83 E 3.9728 8.6114 121.5643 60.2998 28.9681 179.1189 84 A 4.1183 7.9157 118.4517 55.2446 18.1399 179.1073 85 E 4.0759 8.1707 116.6461 59.2794 29.5009 178.9815 86 L 4.2219 8.1015 120.3607 57.3568 42.1185 179.1056 87 K 4.0033 7.7371 118.1405 58.9880 32.0704 177.5221 88 P 4.3495 0.0000 0.0000 65.5602 31.3113 178.2090 89 L 4.0449 7.5364 116.8749 57.9811 42.0051 178.7686 90 A 4.2139 8.4393 121.1846 55.1828 18.3313 179.4197 91 Q 3.9026 8.2431 118.3560 59.3883 29.1076 178.6637 92 S 4.0466 8.2695 115.3720 61.8030 63.0650 176.0847 93 H 4.1640 8.5240 119.3714 57.9055 28.2473 177.5465 94 A 2.7895 7.8862 122.2580 54.2182 18.4661 178.8300 95 T 3.9997 7.4479 112.3158 64.2502 69.5237 175.7948 96 K 4.1321 7.4229 119.5812 58.4838 33.1177 177.0773 97 H 4.2689 7.9081 114.3213 56.1561 29.4996 175.5933 98 K 3.0291 7.5034 117.1492 56.9051 28.8419 175.8211 99 A 4.5366 8.0630 120.5727 49.8445 19.4410 175.9961 100 P 4.6640 0.0000 0.0000 63.0101 32.6035 177.5795 101 I 3.6203 8.5714 121.1108 64.7591 36.9637 178.5062 102 K 3.6328 7.9329 119.6264 59.8336 31.9070 178.1062 103 Y 4.2796 7.8836 116.5672 60.5616 37.8165 177.9247 104 L 4.2519 7.8742 119.7658 57.4026 41.7720 179.0781 105 E 3.9804 8.1328 118.8714 59.5197 29.5152 179.2442 106 F 4.5117 7.9238 117.7949 60.8051 38.8825 177.6153 107 I 3.8959 8.1995 118.1351 63.7554 37.7422 178.0892 108 S 4.1819 8.2024 116.4765 61.6452 62.6546 176.1351 109 E 4.0164 8.4900 121.6619 59.3604 29.3496 178.7457 110 A 4.0114 8.0153 120.6136 55.1256 18.3904 179.7263 111 I 3.6803 8.0749 118.4805 64.5860 37.1802 178.7178 112 I 3.7905 7.8804 120.6809 64.5767 36.9134 177.8260 113 H 4.0884 8.4826 119.2204 59.4562 29.6574 177.4965 114 V 3.5463 7.8023 119.8777 65.9416 31.3064 177.9989 115 L 3.7980 7.8909 118.8623 57.8067 41.0563 178.9530 116 H 4.3358 7.9164 117.4033 59.4558 29.9111 177.2532 117 S 4.1679 8.0010 115.9909 61.3689 62.7467 176.2398 118 R 4.1790 7.8596 118.9232 57.0063 31.3245 176.3253 119 H 5.0326 8.2220 115.9402 53.9207 29.3650 173.1939 120 P 4.3283 0.0000 0.0000 65.8563 31.5945 179.1527 121 G 3.6499 8.1401 106.6674 47.4874 0.0000 173.7140 122 N 5.0371 8.2389 114.9598 52.9249 39.6533 174.6220 123 F 4.9029 7.7972 118.8122 56.4465 39.5369 174.2416 124 G 3.8744 7.7095 108.9818 44.0093 0.0000 172.2318 125 A 3.8876 8.3802 120.6714 55.4405 18.2861 179.6480 126 D 4.2102 7.9671 116.6031 57.3815 40.8652 178.7476 127 A 3.9374 7.7329 120.9057 54.9858 18.3564 179.3158 128 Q 3.1072 7.8689 118.6379 58.8169 29.0307 178.6467 129 G 3.4870 8.0734 106.6901 47.6229 0.0000 175.6092 130 A 3.8579 7.8777 123.2505 55.0056 18.3965 179.3679 131 M 3.9749 8.2217 116.9643 58.7597 32.3424 177.8734 132 N 4.3067 8.4773 117.5490 56.6057 39.0464 176.7116 133 K 3.8677 8.1048 120.7231 59.3953 32.2836 178.5530 134 A 3.8193 7.9619 121.0867 55.2350 18.1918 179.6712 135 L 4.1215 8.1513 117.4510 57.8106 41.6098 179.5318 136 E 3.9732 8.7480 119.2027 59.0885 29.3672 179.0070 137 L 3.9308 8.2978 120.8007 58.1368 42.1258 178.4313 138 F 4.1536 8.3234 120.5005 61.8319 39.1575 177.4022 139 R 3.4585 8.2934 117.4502 58.8581 29.8420 179.0505 140 K 3.8330 8.2290 119.6757 59.6630 32.3248 178.7143 141 D 4.3391 8.1313 119.1614 57.3021 40.6571 178.8648 142 I 3.4825 7.6464 120.4005 63.9769 36.9597 178.2482 143 A 3.6596 7.9754 121.8333 54.9954 18.2813 179.5666 144 A 3.9429 7.8644 119.1971 55.2393 18.4568 180.0892 145 K 4.0211 8.0037 116.8549 59.5639 32.1099 178.9630 146 Y 4.4551 8.3011 117.4375 61.2781 37.7182 178.8722 147 K 3.9696 8.1367 120.1480 59.7421 32.1262 178.7607 148 E 4.0458 7.9178 117.1108 58.8739 29.4487 178.4824 149 L 4.4095 7.8669 117.0119 54.9618 42.0491 177.5788 150 G 3.9757 7.8355 107.4959 45.1768 0.0000 172.2291 151 Y 4.6211 7.6975 120.4174 57.0699 40.9040 176.5055 152 Q 2.6229 8.1245 123.2771 56.6411 30.8758 174.6025 153 G 3.6690 8.3179 108.1673 46.2715 0.0000 173.1094 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 4.46 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 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 7.90 4.25 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.39 0.00 1.01 0.79 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.64 4.50 0.00 4.06 3.97 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 4 E 8.84 4.25 0.00 2.19 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 8.07 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 6 E 8.13 3.90 0.00 1.96 1.70 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 2.21 2.26 0.00 7 W 8.16 4.34 0.00 3.57 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 8 Q 8.60 4.14 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 9 L 7.93 4.08 0.00 1.87 1.74 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.89 3.77 2.41 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 1.18 0.00 0.00 0.91 0.00 0.00 11 L 8.55 4.29 0.00 1.84 1.81 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.54 4.24 0.00 3.43 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.78 3.54 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 1.05 0.00 0.00 0.89 0.00 0.00 14 W 8.63 3.98 0.00 3.63 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.99 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 3.95 0.00 1.65 1.72 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 17 V 7.16 2.84 1.03 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 -0.09 0.00 0.00 0.46 0.00 0.00 18 E 7.54 3.89 0.00 1.99 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 2.21 2.04 0.00 19 A 7.49 4.19 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 7.93 4.66 0.00 2.69 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 21 V 7.83 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 1.05 0.00 0.00 0.83 0.00 0.00 22 A 7.94 4.04 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 8.22 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 24 H 8.28 4.17 0.00 3.10 3.23 0.00 5.82 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 8.36 3.55 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 0.00 0.00 0.00 26 Q 8.06 3.82 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 27 D 7.92 4.29 0.00 2.88 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 28 I 7.84 3.66 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.64 0.87 0.00 0.00 29 L 7.67 3.49 0.00 1.38 1.00 0.74 0.55 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 30 I 7.67 3.64 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.88 0.00 0.00 31 R 7.97 3.78 0.00 1.94 2.07 0.00 3.00 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 32 L 7.77 3.90 0.00 1.67 1.41 1.06 0.86 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 33 F 8.06 4.53 0.00 2.98 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 8.26 4.05 0.00 1.75 1.83 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.57 7.81 35 S 7.99 4.26 0.00 3.95 3.57 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 36 H 8.27 4.80 0.00 2.90 2.90 0.00 5.63 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 4.56 0.00 2.15 2.11 0.00 3.83 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 2.09 1.99 0.00 38 E 8.25 4.09 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 39 T 8.28 3.82 4.45 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 0.84 0.00 0.00 40 L 7.87 3.71 0.00 1.60 1.75 -0.14 0.58 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 41 E 7.89 4.03 0.00 2.20 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 2.38 2.40 0.00 42 K 8.19 4.48 0.00 1.91 1.72 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.73 2.00 7.81 43 F 8.31 4.63 0.00 3.12 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 44 D 8.68 4.38 0.00 2.61 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 45 R 7.87 3.79 0.00 1.39 0.86 0.00 3.00 0.00 0.00 2.84 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.38 0.00 46 F 7.85 5.08 0.00 2.93 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 47 K 8.18 4.00 0.00 1.96 1.88 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 48 H 8.13 4.47 0.00 3.32 3.41 0.00 5.58 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 7.59 4.15 0.00 1.61 1.58 0.89 0.61 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 50 K 9.13 4.31 0.00 1.84 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.53 7.81 51 T 7.29 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 8.66 3.90 0.00 2.04 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 7.94 4.00 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 54 E 8.00 3.94 0.00 2.10 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 2.35 2.34 0.00 55 M 8.10 4.17 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 56 K 8.46 4.00 0.00 1.78 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.38 4.52 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 58 S 7.49 4.32 0.00 3.93 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 59 E 8.88 4.00 0.00 2.14 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 2.39 2.45 0.00 60 D 8.12 4.41 0.00 2.99 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 61 L 8.11 3.47 0.00 1.39 1.61 0.06 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.89 3.87 0.00 1.85 1.95 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.32 4.00 0.00 2.07 1.91 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.61 7.81 64 H 8.56 4.41 0.00 3.57 3.55 0.00 5.79 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 8.33 3.61 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 0.00 0.00 0.00 66 V 7.72 3.63 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 7.83 3.88 4.45 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 1.28 0.00 0.00 68 V 7.92 3.58 2.20 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 1.08 0.00 0.00 0.95 0.00 0.00 69 L 8.12 4.27 0.00 1.79 1.83 0.89 0.79 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 70 T 8.27 3.98 4.32 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 1.26 0.00 0.00 71 A 8.07 4.01 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 8.07 3.74 0.00 1.63 1.64 0.25 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.73 3.44 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 0.00 74 A 7.73 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 75 I 7.40 3.79 1.84 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 1.54 0.98 0.89 0.00 0.00 76 L 7.97 4.00 0.00 1.18 1.56 -0.15 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.64 4.00 0.00 1.66 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.55 7.81 78 K 7.82 3.95 0.00 1.80 1.80 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.63 1.75 7.81 79 K 8.29 2.00 0.00 1.30 0.74 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.84 7.81 80 G 8.01 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 0.00 0.00 0.00 81 H 7.52 4.74 0.00 3.18 3.23 0.00 5.76 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 82 H 7.30 5.19 0.00 3.28 3.45 0.00 5.67 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 8.61 3.97 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 84 A 7.92 4.12 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 8.17 4.08 0.00 2.24 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 8.10 4.22 0.00 2.01 1.68 0.98 0.62 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 87 K 7.74 4.00 0.00 1.90 1.87 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 1.49 1.62 7.81 88 P 0.00 4.35 0.00 2.31 2.34 0.00 3.78 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 2.11 2.05 0.00 89 L 7.54 4.04 0.00 1.90 1.94 1.02 1.34 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 90 A 8.44 4.21 1.48 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 91 Q 8.24 3.90 0.00 2.17 2.24 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 2.35 0.00 92 S 8.27 4.05 0.00 4.01 4.12 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 93 H 8.52 4.16 0.00 3.62 3.64 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 94 A 7.89 2.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.45 4.00 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 1.11 0.00 0.00 96 K 7.42 4.13 0.00 1.54 1.62 0.00 1.68 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 1.17 1.32 7.81 97 H 7.91 4.27 0.00 3.01 3.13 0.00 5.86 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 98 K 7.50 3.03 0.00 1.73 1.73 0.00 1.36 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.13 7.81 99 A 8.06 4.54 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.66 0.00 1.94 1.99 0.00 3.40 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 0.70 1.35 0.00 101 I 8.57 3.62 1.80 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.99 0.81 0.00 0.00 102 K 7.93 3.63 0.00 1.71 1.62 0.00 1.39 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 0.77 7.81 103 Y 7.88 4.28 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 0.00 104 L 7.87 4.25 0.00 1.84 1.80 0.73 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.13 3.98 0.00 2.03 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 2.32 2.45 0.00 106 F 7.92 4.51 0.00 3.16 2.84 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 0.00 107 I 8.20 3.90 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 1.13 0.00 0.00 108 S 8.20 4.18 0.00 4.23 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 0.00 109 E 8.49 4.02 0.00 2.17 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 2.38 2.42 0.00 110 A 8.02 4.01 1.42 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 0.00 0.00 111 I 8.07 3.68 2.09 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 1.60 0.75 1.02 0.00 0.00 112 I 7.88 3.79 2.00 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 0.74 1.13 0.00 0.00 113 H 8.48 4.09 0.00 3.33 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.80 3.55 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 0.91 0.00 0.00 0.99 0.00 0.00 115 L 7.89 3.80 0.00 0.80 0.43 0.72 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.92 4.34 0.00 3.46 3.62 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.00 4.17 0.00 3.91 3.83 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 0.00 118 R 7.86 4.18 0.00 1.64 1.61 0.00 3.09 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 119 H 8.22 5.03 0.00 3.21 3.20 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 4.33 0.00 2.21 2.27 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 121 G 8.14 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 0.00 122 N 8.24 5.04 0.00 2.80 2.93 0.00 0.00 6.67 7.59 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 0.00 123 F 7.80 4.90 0.00 2.99 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 0.00 124 G 7.71 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 0.00 0.00 0.00 125 A 8.38 3.89 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 0.00 126 D 7.97 4.21 0.00 2.64 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 0.00 127 A 7.73 3.94 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 7.87 3.11 0.00 1.27 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 129 G 8.07 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.88 3.86 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 0.00 131 M 8.22 3.97 0.00 2.39 2.36 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.89 0.00 132 N 8.48 4.31 0.00 2.92 2.93 0.00 0.00 6.87 6.89 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 0.00 133 K 8.10 3.87 0.00 1.94 1.74 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 7.96 3.82 1.24 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 0.00 0.00 135 L 8.15 4.12 0.00 1.89 1.82 0.99 0.74 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 0.00 136 E 8.75 3.97 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 2.34 2.54 0.00 137 L 8.30 3.93 0.00 1.83 1.96 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.32 4.15 0.00 3.11 3.26 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 0.00 139 R 8.29 3.46 0.00 1.97 1.84 0.00 3.16 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.97 0.00 140 K 8.23 3.83 0.00 1.77 1.93 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.13 4.34 0.00 2.79 2.69 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 0.00 142 I 7.65 3.48 1.23 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 1.08 -0.11 0.06 0.00 0.00 143 A 7.98 3.66 1.24 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 0.00 0.00 144 A 7.86 3.94 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 0.00 145 K 8.00 4.02 0.00 1.99 1.93 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.64 7.81 146 Y 8.30 4.46 0.00 3.17 3.22 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 0.00 0.00 0.00 147 K 8.14 3.97 0.00 2.19 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 148 E 7.92 4.05 0.00 2.20 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 2.54 0.00 149 L 7.87 4.41 0.00 1.82 1.72 0.99 0.81 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 0.00 150 G 7.84 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 0.00 0.00 0.00 151 Y 7.70 4.62 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.12 2.62 0.00 1.89 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 1.18 2.09 0.00 153 G 8.32 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