NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5304 8.1627 120.3618 55.9465 34.5071 177.2914 2 M 3.9996 8.0289 117.5648 57.8743 32.3353 176.3102 3 D 4.3865 8.3485 118.0575 57.3106 41.9418 177.0552 4 Y 4.1260 7.9362 119.6307 60.7228 38.9761 177.6556 5 L 3.7314 8.3985 120.3141 57.7401 41.1967 179.4078 6 I 3.7008 7.8097 119.8818 64.7887 36.9826 178.3973 7 T 4.1843 7.8458 108.0136 63.2642 68.8515 174.9800 8 Q 4.3617 7.3689 119.4781 54.7278 29.5467 175.2936 9 N 4.1200 7.4823 113.1089 54.2292 36.8356 174.8205 10 G 4.0792 8.4226 99.0230 45.1951 0.0000 175.1539 11 G 3.9021 7.7731 109.9083 47.3710 0.0000 175.4589 12 M 3.9233 8.2400 120.1556 59.1348 31.9634 178.4546 13 V 3.4940 7.5516 111.6228 64.6224 31.6127 178.6361 14 F 4.3260 7.9687 117.0535 60.3158 38.7564 177.7370 15 A 4.0614 8.1114 120.2678 54.8972 18.1920 179.7078 16 V 3.4946 8.0963 117.1647 66.1770 31.6162 178.0114 17 L 3.9836 8.1669 119.8936 57.9908 41.8056 178.7890 18 A 4.2932 8.1568 122.2364 54.9570 18.3958 179.4733 19 M 4.0025 8.1307 116.9119 58.4118 32.0541 178.7536 20 A 4.0029 8.1950 121.1387 55.3522 18.4468 179.6191 21 T 3.9842 8.3691 108.3123 65.1477 68.3228 176.0485 22 A 4.0938 8.1850 124.4100 55.0343 18.3609 179.8252 23 T 3.7898 7.9852 113.7869 66.8671 68.5464 177.0556 24 I 3.5180 8.1350 121.8476 64.5728 37.1624 178.6853 25 F 4.0708 7.7989 118.2184 60.3157 38.7208 178.0961 26 S 4.3003 7.8393 113.9512 61.3715 62.8397 176.7469 27 G 3.6001 8.2496 109.4562 47.5766 0.0000 175.7152 28 I 3.7809 8.1464 122.8548 63.8528 37.0159 178.5793 29 G 3.6937 8.0781 106.5494 48.1000 0.0000 175.8940 30 S 4.4806 8.4467 119.0798 60.5461 62.8312 176.4361 31 A 3.9492 8.4182 123.8069 55.2517 18.1031 179.9296 32 K 3.9988 8.3875 117.1583 59.4602 32.1924 179.9156 33 G 3.5355 8.2694 106.1470 47.9215 0.0000 175.8699 34 V 3.7076 8.5034 122.0332 65.2853 31.4676 178.2204 35 G 3.5755 8.2272 105.5002 48.0328 0.0000 175.1501 36 M 4.1508 8.4466 121.7140 58.6547 32.2689 178.4431 37 T 3.9932 8.0723 115.8564 66.4914 68.5306 176.7039 38 G 3.7636 8.5334 108.1008 47.9939 0.0000 175.4336 39 E 3.9697 8.3867 120.6795 59.1785 29.5070 179.4080 40 A 4.0089 7.9502 120.1026 55.0307 18.4467 179.5726 41 A 3.9403 8.5776 119.5697 55.1250 18.3274 179.6515 42 A 3.9614 8.4486 119.5061 55.2352 18.2568 179.5626 43 A 3.9471 7.8142 117.8921 55.4219 18.7401 179.1927 44 L 4.0519 8.0685 118.7125 58.8046 41.0539 179.3942 45 T 4.0620 8.0989 115.6763 66.4592 68.1055 176.6596 46 T 4.0900 7.6844 111.3972 63.7262 68.7554 175.1396 47 S 4.6396 7.5358 114.9707 58.5564 65.5126 174.3308 48 Q 4.7052 8.3141 120.0352 53.0445 28.7744 174.0465 49 P 4.4242 0.0000 0.0000 64.9065 32.0787 179.1536 50 E 4.1589 8.1651 115.9378 58.2071 29.9079 177.2960 51 K 4.5927 7.9311 118.9347 56.5140 32.5694 177.8703 52 F 4.3356 8.3397 123.1601 61.6376 39.2061 177.3542 53 G 3.4939 8.1754 104.4316 48.0385 0.0000 175.3900 54 Q 3.9357 7.9646 119.9021 58.4740 28.8051 178.4205 55 A 3.9655 8.0187 121.8417 55.0005 18.4930 179.4373 56 L 3.6790 7.9385 119.2068 58.1463 41.5966 179.1905 57 I 3.6128 7.4700 119.5628 64.4480 36.8462 178.2547 58 L 3.9765 7.4535 117.9814 58.0244 41.5378 179.2327 59 Q 4.0663 7.8470 118.2330 59.0104 29.1356 177.9636 60 L 4.0901 7.7543 119.8453 57.0492 41.1876 178.9642 61 L 3.9194 7.5069 118.6671 57.6465 41.7213 177.5349 62 P 5.0458 0.0000 0.0000 63.3117 31.2347 178.0961 63 G 3.7367 8.1872 106.2114 46.5060 0.0000 175.9690 64 T 3.6284 7.4640 112.1422 64.3702 68.8105 176.4746 65 Q 4.1784 8.0884 120.7179 59.1967 28.7584 179.5699 66 G 3.6609 8.3373 106.4667 47.6517 0.0000 175.7578 67 L 4.0148 7.0947 118.1949 57.7179 41.4974 178.9561 68 Y 4.3565 7.6737 116.8846 61.1379 37.7631 179.0056 69 G 4.2797 8.2561 107.8218 47.3130 0.0000 175.2967 70 F 4.1617 8.5337 123.4709 61.0580 39.3861 177.2423 71 V 3.7518 8.4076 117.9262 66.2839 31.3172 177.9456 72 I 3.8132 8.5289 119.5289 64.3795 36.8859 178.1797 73 A 3.9786 8.3486 121.8120 55.3260 18.2472 179.5543 74 F 3.9254 8.3564 119.3753 61.0609 39.1376 177.1923 75 L 3.9496 7.9603 119.6411 57.9417 42.1494 178.5756 76 I 3.6179 7.8840 119.9321 64.2777 36.9228 177.7854 77 F 3.9466 8.1561 121.8125 61.4258 38.9399 176.9639 78 I 3.6154 7.2354 109.2976 62.2320 37.5272 176.5087 79 N 4.7773 7.3472 117.5201 54.7539 39.3270 176.6803 80 L 4.0681 7.1934 123.4509 54.7396 42.0855 174.9124 81 G 3.8240 8.2355 107.4061 44.7263 0.0000 173.6857 82 S 4.3574 8.2714 117.2915 58.8453 63.7145 174.1342 83 D 4.5619 7.8419 119.7130 54.6288 41.5421 175.4500 84 M 4.1833 7.7470 119.3881 55.9047 32.9213 175.8694 85 S 4.6471 8.4501 120.9857 57.7028 65.7951 175.4288 86 V 3.6910 8.2283 121.6310 66.0219 31.2193 178.1121 87 V 3.4749 7.7731 117.5758 66.1562 31.3726 177.6172 88 Q 3.9095 7.9489 118.8109 59.0067 28.9214 178.2514 89 G 3.9946 8.4809 107.0369 48.1770 0.0000 175.5819 90 L 3.9483 8.3452 122.1585 57.3348 41.4586 179.3237 91 N 4.2306 8.2411 116.6147 56.3662 38.5428 177.3872 92 F 4.2541 8.1094 119.0358 60.4515 38.7822 177.4535 93 L 4.1985 8.0053 119.0321 58.0890 42.2259 178.9171 94 G 3.7782 8.5115 105.7981 47.9517 0.0000 175.3696 95 A 4.0973 8.4067 124.2408 54.8463 18.3098 179.6597 96 S 4.2921 8.1373 112.0812 60.8399 63.2402 176.7680 97 L 4.1675 7.9361 123.2856 57.3464 41.4332 177.2271 98 P 4.3625 0.0000 0.0000 65.9615 31.3692 178.5159 99 I 3.8822 8.1723 117.0149 63.7662 37.9024 177.5652 100 A 3.9750 8.0683 121.8138 55.2679 18.2307 179.3011 101 F 4.5407 8.3495 115.6376 59.8966 39.7185 178.6314 102 T 4.2631 8.4108 109.8147 64.6026 68.5124 176.8505 103 G 3.7166 8.4178 108.5971 47.6046 0.0000 175.0533 104 L 4.0064 7.9692 123.4783 58.0965 41.9863 179.2332 105 F 4.2505 8.5392 117.6017 60.4023 38.9283 178.1537 106 S 4.3827 8.8319 114.5307 61.1451 62.8284 176.6848 107 G 3.7063 8.3212 109.3898 47.7840 0.0000 175.5927 108 I 3.7052 7.6078 122.1402 63.8962 37.2641 178.3969 109 A 4.0562 8.3245 121.7309 55.3065 18.3650 179.4625 110 Q 4.0844 8.8958 118.6409 59.2176 29.0882 178.4875 111 G 3.7416 8.2975 106.8423 47.9091 0.0000 175.6982 112 K 4.0058 7.9824 120.4304 59.2250 31.9916 179.6941 113 V 3.6155 7.7859 117.8046 65.8080 31.4560 177.9323 114 A 3.9852 8.6235 120.7531 55.1002 18.0164 179.3233 115 A 3.9378 8.2191 118.3277 55.4192 18.8780 179.3745 116 A 4.1873 8.2377 119.3014 55.2764 18.4429 180.0294 117 G 3.7128 8.4180 104.4586 48.0250 0.0000 175.6935 118 I 3.7610 7.5704 121.5496 64.7103 37.2001 178.4143 119 Q 4.0228 8.1128 118.1792 58.5809 28.3882 178.7353 120 I 3.7222 7.6517 120.7017 64.3196 37.0516 177.7532 121 L 3.8392 7.7907 119.5203 58.2674 41.8967 178.5921 122 A 4.1405 8.1037 119.8279 54.7022 18.4068 178.8732 123 K 4.3847 7.8382 114.6914 56.9306 34.8044 177.4719 124 K 4.7134 8.6767 118.0935 53.6222 32.7833 175.0335 125 P 4.4925 0.0000 0.0000 65.6351 31.6491 178.9477 126 E 4.1196 8.1726 114.8734 58.1642 30.0081 176.8241 127 H 4.7992 8.5970 117.0641 55.5910 29.5887 175.8958 128 A 4.0326 7.8658 124.9999 55.7999 17.8736 180.5512 129 T 3.8021 7.9582 113.5964 66.7993 68.3937 176.4869 130 K 3.7097 8.0201 120.2896 59.3700 32.1793 179.4646 131 G 3.7689 8.0451 105.3312 47.9016 0.0000 175.6028 132 I 3.7399 7.5343 121.6749 64.1368 37.1314 178.6049 133 I 3.6185 7.8584 120.8271 64.3454 36.7047 178.2132 134 F 4.4601 7.6556 117.1472 60.9312 39.1573 177.4319 135 A 4.2067 8.1513 119.5396 55.1526 18.2193 179.4235 136 A 4.0009 8.5576 119.6586 55.6888 17.8862 179.6540 137 M 4.0757 8.2248 117.1789 58.6613 31.9367 179.0829 138 V 3.6522 8.0079 118.2292 65.5196 31.6655 177.4028 139 E 3.9929 8.2816 119.5287 59.7988 29.3183 178.8873 140 T 3.6164 7.1839 115.2658 67.0947 68.4367 175.6559 141 Y 4.3653 7.3780 117.3260 60.3666 37.9426 178.0216 142 A 4.1551 8.0744 121.7332 55.1174 18.5990 179.5159 143 I 3.3155 7.7283 118.3048 64.4175 37.2048 178.5534 144 L 4.0896 8.3473 120.3235 57.8115 41.4899 179.8049 145 G 4.0930 8.0888 106.8411 47.2465 0.0000 175.3748 146 F 4.2215 8.6726 123.6553 61.0108 39.3258 177.3732 147 V 3.4158 8.2148 118.1942 65.9533 31.3208 178.0490 148 I 3.6958 7.7888 119.4705 64.5204 36.8982 178.4451 149 S 4.4477 8.0608 117.2599 60.9150 62.6722 176.4987 150 F 3.7758 8.2892 123.4568 61.3108 38.9548 177.0446 151 L 4.0172 8.1596 118.4985 58.0054 41.4623 179.6939 152 L 3.9545 8.0654 118.8274 57.5166 41.2701 179.7498 153 V 3.5935 7.7521 117.7763 66.0909 31.6245 177.9981 154 L 4.0054 7.4987 117.0693 56.6901 41.4535 177.8832 155 N 4.6753 7.2793 114.1127 53.0700 39.4079 174.7820 156 A 3.9305 7.2168 125.8207 53.1152 18.4238 177.0723 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 1 M 8.16 4.53 0.00 2.17 2.15 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 2.67 2.66 0.00 2 M 8.03 4.00 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.78 0.00 3 D 8.35 4.39 0.00 2.80 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 4 Y 7.94 4.13 0.00 3.09 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 5 L 8.40 3.73 0.00 1.81 1.78 0.91 0.66 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 6 I 7.81 3.70 2.09 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 1.60 1.19 0.92 0.00 0.00 7 T 7.85 4.18 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 Q 7.37 4.36 0.00 1.56 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 9 N 7.48 4.12 0.00 2.78 2.94 0.00 0.00 6.80 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 10 G 8.42 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 0.00 0.00 0.00 11 G 7.77 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 12 M 8.24 3.92 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 13 V 7.55 3.49 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.19 0.00 0.00 14 F 7.97 4.33 0.00 3.35 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 15 A 8.11 4.06 1.20 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 16 V 8.10 3.49 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 17 L 8.17 3.98 0.00 1.97 1.98 1.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.16 4.29 1.55 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 19 M 8.13 4.00 0.00 2.08 2.28 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 2.73 2.73 0.00 20 A 8.19 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 21 T 8.37 3.98 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 1.47 0.00 0.00 22 A 8.19 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 23 T 7.99 3.79 4.38 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 1.30 0.00 0.00 24 I 8.14 3.52 1.50 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.20 0.00 0.00 25 F 7.80 4.07 0.00 2.83 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 26 S 7.84 4.30 0.00 4.16 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 0.00 27 G 8.25 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 28 I 8.15 3.78 1.94 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.87 0.00 0.00 29 G 8.08 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 30 S 8.45 4.48 0.00 3.85 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 31 A 8.42 3.95 1.34 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 0.00 0.00 32 K 8.39 4.00 0.00 1.86 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 33 G 8.27 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 0.00 0.00 0.00 34 V 8.50 3.71 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 0.96 0.00 0.00 1.00 0.00 0.00 35 G 8.23 3.58 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 0.00 0.00 0.00 36 M 8.45 4.15 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.07 3.99 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 1.25 0.00 0.00 38 G 8.53 3.76 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 0.00 39 E 8.39 3.97 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 2.33 2.56 0.00 40 A 7.95 4.01 1.34 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 0.00 0.00 41 A 8.58 3.94 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 42 A 8.45 3.96 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 43 A 7.81 3.95 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 44 L 8.07 4.05 0.00 1.79 1.89 0.94 0.77 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 45 T 8.10 4.06 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 46 T 7.68 4.09 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 47 S 7.54 4.64 0.00 4.14 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 48 Q 8.31 4.71 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 49 P 0.00 4.42 0.00 2.19 2.29 0.00 3.70 0.00 0.00 3.88 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 50 E 8.17 4.16 0.00 2.12 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 2.30 2.29 0.00 51 K 7.93 4.59 0.00 2.00 1.87 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.39 7.81 52 F 8.34 4.34 0.00 3.23 3.11 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 0.00 0.00 0.00 53 G 8.18 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 54 Q 7.96 3.94 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 55 A 8.02 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 56 L 7.94 3.68 0.00 1.14 1.49 0.80 0.58 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 57 I 7.47 3.61 1.95 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 1.45 0.86 0.86 0.00 0.00 58 L 7.45 3.98 0.00 1.81 1.73 0.92 0.76 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 59 Q 7.85 4.07 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 60 L 7.75 4.09 0.00 1.87 1.63 0.85 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.51 3.92 0.00 1.94 1.75 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.05 0.00 2.18 2.25 0.00 4.01 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 2.24 2.05 0.00 63 G 8.19 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 64 T 7.46 3.63 3.52 0.00 0.00 0.00 0.00 0.00 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 65 Q 8.09 4.18 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.78 2.69 0.00 66 G 8.34 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.09 4.01 0.00 1.61 1.59 0.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.67 4.36 0.00 3.28 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 69 G 8.26 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 0.00 0.00 0.00 0.00 70 F 8.53 4.16 0.00 3.25 3.30 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 71 V 8.41 3.75 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 1.44 0.00 0.00 1.18 0.00 0.00 72 I 8.53 3.81 2.18 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.85 0.99 0.00 0.00 73 A 8.35 3.98 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 74 F 8.36 3.93 0.00 2.71 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.96 3.95 0.00 1.91 1.83 0.92 0.29 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 76 I 7.88 3.62 1.93 0.00 0.00 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 1.52 0.58 0.36 0.00 0.00 77 F 8.16 3.95 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.24 3.62 1.69 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 1.58 0.57 0.46 0.00 0.00 79 N 7.35 4.78 0.00 2.86 2.97 0.00 0.00 6.98 7.38 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 80 L 7.19 4.07 0.00 1.36 1.30 0.59 0.98 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 81 G 8.24 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 0.00 0.00 0.00 82 S 8.27 4.36 0.00 3.96 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 83 D 7.84 4.56 0.00 2.64 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 84 M 7.75 4.18 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.64 0.00 85 S 8.45 4.65 0.00 4.09 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 86 V 8.23 3.69 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 0.93 0.00 0.00 1.10 0.00 0.00 87 V 7.77 3.47 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 0.99 0.00 0.00 0.89 0.00 0.00 88 Q 7.95 3.91 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 89 G 8.48 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 0.00 0.00 0.00 90 L 8.35 3.95 0.00 1.67 1.58 0.65 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.24 4.23 0.00 2.65 2.61 0.00 0.00 7.00 8.28 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 92 F 8.11 4.25 0.00 3.42 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 93 L 8.01 4.20 0.00 1.95 1.96 1.08 1.08 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 94 G 8.51 3.78 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 0.00 0.00 0.00 95 A 8.41 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.29 0.00 4.28 4.35 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 97 L 7.94 4.17 0.00 1.94 1.96 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.36 0.00 2.35 2.19 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 8.17 3.88 2.06 0.00 0.00 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 1.83 1.46 1.14 0.00 0.00 100 A 8.07 3.97 1.20 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 0.00 101 F 8.35 4.54 0.00 3.29 3.33 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 0.00 102 T 8.41 4.26 4.57 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 1.36 0.00 0.00 103 G 8.42 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 0.00 104 L 7.97 4.01 0.00 2.00 1.85 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.54 4.25 0.00 3.32 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 0.00 106 S 8.83 4.38 0.00 4.23 4.35 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 0.00 107 G 8.32 3.71 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 0.00 0.00 0.00 108 I 7.61 3.71 2.02 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 1.44 1.10 0.95 0.00 0.00 109 A 8.32 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.90 4.08 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 111 G 8.30 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 0.00 112 K 7.98 4.01 0.00 2.08 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.58 7.81 113 V 7.79 3.62 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 1.22 0.00 0.00 1.03 0.00 0.00 114 A 8.62 3.99 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 0.00 115 A 8.22 3.94 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 0.00 116 A 8.24 4.19 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 0.00 117 G 8.42 3.71 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 0.00 0.00 0.00 118 I 7.57 3.76 2.07 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 1.72 0.95 0.98 0.00 0.00 119 Q 8.11 4.02 0.00 2.12 2.16 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 2.55 2.55 0.00 120 I 7.65 3.72 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 1.01 0.00 0.00 121 L 7.79 3.84 0.00 1.65 2.00 0.92 0.88 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 0.00 122 A 8.10 4.14 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 0.00 123 K 7.84 4.38 0.00 1.79 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.61 7.81 124 K 8.68 4.71 0.00 1.74 1.80 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.51 7.81 125 P 0.00 4.49 0.00 2.22 2.42 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 126 E 8.17 4.12 0.00 2.02 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 2.04 2.20 0.00 127 H 8.60 4.80 0.00 3.27 3.30 0.00 5.63 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 0.00 128 A 7.87 4.03 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 0.00 129 T 7.96 3.80 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 1.16 0.00 0.00 130 K 8.02 3.71 0.00 1.96 1.59 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.42 7.81 131 G 8.05 3.77 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 0.00 0.00 0.00 132 I 7.53 3.74 1.99 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 1.50 0.60 0.88 0.00 0.00 133 I 7.86 3.62 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.80 0.00 0.00 134 F 7.66 4.46 0.00 3.21 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 0.00 135 A 8.15 4.21 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 0.00 136 A 8.56 4.00 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 0.00 137 M 8.22 4.08 0.00 2.18 2.42 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.01 0.00 138 V 8.01 3.65 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 1.23 0.00 0.00 1.04 0.00 0.00 139 E 8.28 3.99 0.00 2.18 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 2.37 2.49 0.00 140 T 7.18 3.62 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 0.77 0.00 0.00 141 Y 7.38 4.37 0.00 3.25 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 0.00 142 A 8.07 4.16 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.73 3.32 1.90 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 1.28 0.53 0.83 0.00 0.00 144 L 8.35 4.09 0.00 1.70 1.77 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.09 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.67 4.22 0.00 2.83 2.97 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 0.00 147 V 8.21 3.42 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 148 I 7.79 3.70 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.81 0.93 0.00 0.00 149 S 8.06 4.45 0.00 4.10 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 0.00 150 F 8.29 3.78 0.00 2.57 2.94 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 0.00 151 L 8.16 4.02 0.00 1.90 1.72 0.94 0.61 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 0.00 152 L 8.07 3.95 0.00 1.87 1.67 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.75 3.59 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.04 0.00 0.00 154 L 7.50 4.01 0.00 1.70 1.62 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.28 4.68 0.00 2.65 2.71 0.00 0.00 7.14 8.78 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 0.00 156 A 7.22 3.93 0.16 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 0.00 0.00