NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4478 8.3049 120.3271 54.9242 32.2805 173.9515 2 T 4.1129 7.3990 117.4579 61.3032 73.2507 172.6807 3 I 4.1604 8.0007 123.4165 60.4098 35.8302 176.8729 4 N 4.2985 8.1338 119.1025 56.7960 39.0904 175.1335 5 T 3.9236 7.9568 116.5922 67.3800 68.6713 176.0022 6 E 4.1352 8.2427 119.6032 59.1185 29.4625 179.9050 7 V 3.7436 7.7687 112.4919 64.0783 31.7437 178.1339 8 F 4.2186 8.6615 120.8126 61.3600 39.2139 177.1727 9 I 3.6224 7.8823 119.5085 64.3659 36.8302 178.4459 10 R 3.8757 7.9930 119.3555 59.6387 30.0126 178.8503 11 R 3.9216 8.6333 118.0009 58.9894 29.8708 178.9953 12 N 4.1485 8.1335 116.6206 56.2293 38.6073 177.6208 13 K 3.9205 8.3221 120.1273 59.1420 31.9260 179.2607 14 L 4.0103 8.1048 121.0217 58.2765 42.1147 178.8368 15 R 3.6598 7.9413 118.9302 59.5022 29.8106 178.6049 16 R 3.9766 8.3143 116.1134 59.2977 29.5617 178.2792 17 H 4.0425 8.5745 119.3546 58.8487 29.8724 176.9590 18 F 3.6331 8.9712 123.2914 61.4628 39.3120 177.0395 19 E 4.2950 8.5074 118.2202 59.4247 29.4283 179.3061 20 S 4.0953 8.4199 113.6835 61.3724 62.4875 176.0219 21 E 3.9850 7.8262 121.1839 58.9945 29.1244 179.1992 22 F 4.2897 7.9915 118.3287 60.3014 38.9189 177.7942 23 R 4.3022 8.2891 117.4940 58.6649 29.1973 178.7540 24 Q 3.9355 7.9681 120.0689 59.0978 29.0971 178.4236 25 I 4.3609 8.2419 122.4262 63.9203 37.2424 178.2126 26 N 4.3264 8.7973 118.2472 55.6189 37.1832 176.9056 27 N 4.3835 8.3555 120.1056 56.4264 39.1631 176.7035 28 E 3.9684 8.1862 119.2023 59.3155 29.6703 179.2192 29 I 3.3973 7.7079 120.7335 64.0388 37.0579 178.5026 30 R 3.7868 8.0688 119.4486 59.2300 29.8442 178.9924 31 E 3.9737 8.0770 117.0268 59.1924 29.7456 178.7948 32 A 4.0137 8.4357 122.0544 54.5948 18.5758 179.5519 33 S 4.7894 8.0461 113.1747 60.8879 62.3471 176.5290 34 K 3.9751 8.0885 121.2055 59.4490 31.5873 179.2230 35 A 4.1201 8.1506 120.0002 54.8302 18.3943 179.1611 36 A 4.1957 8.5445 118.8145 53.4244 18.5238 178.5611 37 G 3.9873 7.8406 104.1218 45.1285 0.0000 173.4976 38 V 4.2729 7.4102 117.9935 60.3957 33.3661 178.7411 39 S 2.8700 7.4846 110.9856 55.1267 65.8086 171.4322 40 S 4.7578 7.9827 116.1004 57.2053 63.2749 170.9425 41 F 5.7861 8.2817 120.3057 54.5848 40.3255 174.1049 42 H 4.7892 8.8274 121.0853 54.7809 31.6462 173.1483 43 L 4.7529 8.0840 125.7593 53.3777 42.9960 175.9136 44 K 4.4450 8.7106 124.3314 54.6720 35.9574 174.3810 45 Y 5.3827 7.7175 123.1068 55.0956 41.8529 174.7854 46 S 4.6018 8.7263 115.8613 57.2749 64.0487 175.0394 47 Q 4.1499 8.7913 123.3976 57.7372 29.1272 178.0812 48 A 4.0205 8.0405 121.4187 54.8753 18.6831 178.9827 49 L 3.8782 7.8538 118.4010 58.4377 42.2893 178.9228 50 L 3.8539 7.7961 119.6867 57.8150 41.8377 178.2459 51 D 4.4075 8.0497 118.3359 57.0089 40.9835 178.2386 52 R 3.8566 7.9560 119.1696 59.4956 29.8240 178.5053 53 A 4.5440 7.9232 121.5909 54.4608 18.0953 179.7769 54 I 3.7011 8.1668 118.4807 64.1812 37.3184 177.6617 55 Q 4.4656 8.2592 116.9221 57.0014 29.7585 177.6953 56 R 4.3166 8.2547 118.4547 57.1554 30.9825 176.5022 57 E 4.8291 7.7746 118.5802 55.0161 30.4645 176.0487 58 I 3.8276 7.9837 111.6585 62.6691 38.0427 174.8395 59 D 4.4212 8.9361 121.2327 55.2696 39.6635 174.8957 60 E 4.4061 7.8985 119.0655 55.9493 27.2198 176.2868 61 T 4.2928 7.9426 114.6781 63.8611 69.6716 176.1433 62 Y 4.0209 8.0837 122.1783 60.2115 38.7111 177.6462 63 V 2.8214 7.6354 118.8400 66.2255 31.2970 177.9220 64 F 3.8242 7.6491 116.3508 60.3338 38.7630 177.5505 65 E 3.9672 7.9027 118.3013 59.2968 29.3380 179.0504 66 L 3.8078 7.7491 120.9943 57.8488 41.9394 178.7008 67 F 4.4729 8.0208 113.8879 59.2813 37.8402 176.8844 68 H 4.3836 8.3225 116.0152 57.4983 28.7705 176.7150 69 K 4.3084 7.8581 119.2511 58.0838 32.6779 178.3823 70 I 4.0097 7.8824 119.4926 62.6036 37.0106 177.8061 71 K 3.9020 7.5919 120.3459 60.4677 32.0123 178.2700 72 D 4.5147 8.0843 118.0622 56.2276 41.0613 177.4698 73 H 4.5342 8.6074 117.1814 56.9648 28.5424 177.2222 74 V 3.8308 7.9722 122.6284 65.3305 30.8223 178.0803 75 L 3.9921 8.3763 120.9146 57.9486 41.8762 178.8805 76 E 3.9915 8.1777 118.9022 59.1857 29.5165 179.5712 77 V 3.9270 7.8327 118.7646 64.5803 31.6032 178.2370 78 N 4.3079 8.5561 117.9481 56.2049 38.2672 177.2565 79 E 4.0534 8.6075 118.0334 59.0994 29.6881 178.5782 80 F 4.5087 8.0540 121.2034 61.3351 39.6441 176.6008 81 L 3.9333 7.7002 119.7373 57.9035 41.6628 178.4170 82 S 4.4619 8.1737 112.3694 58.7594 62.7358 174.1585 83 M 4.2880 7.0655 119.9185 53.8278 31.8117 174.0846 84 P 4.4702 0.0000 0.0000 61.1969 32.2007 174.4132 85 P 4.2074 0.0000 0.0000 63.1255 31.4719 176.4563 86 R 3.9372 8.4576 120.9985 58.8492 30.3411 175.0532 87 P 4.9087 0.0000 0.0000 62.9960 31.9439 175.6942 88 D 4.8774 8.2782 119.1870 54.0320 42.5347 175.2057 89 I 4.2643 7.1975 111.1056 60.7569 39.7310 173.6301 90 D 4.8703 8.5658 117.9630 54.2477 42.8545 176.9136 91 E 4.1753 8.4617 116.2765 59.2897 29.8749 177.3001 92 D 4.8448 8.0482 115.5766 52.4420 42.5643 179.3320 93 F 3.8304 8.0840 110.7257 57.0428 40.3162 175.2897 94 I 4.0162 6.0684 122.3451 58.1303 36.4526 174.5136 95 D 4.5283 8.1655 127.8522 56.0166 42.0664 177.4799 96 G 3.7017 7.9399 105.6037 46.0127 0.0000 173.1290 97 V 4.2202 7.4090 119.9994 61.1195 32.6339 174.4906 98 E 4.3123 8.6322 129.8057 56.9302 29.9770 173.9552 99 Y 3.3965 8.0708 119.5780 57.0564 36.0313 167.6587 100 R 4.5751 7.5179 118.4719 52.7154 32.5061 174.9897 101 P 4.3977 0.0000 0.0000 62.3415 32.1207 176.2418 102 G 4.0967 8.4742 106.6006 45.8867 0.0000 173.0436 103 R 5.1154 7.4498 114.7440 54.4374 33.2101 174.0439 104 L 4.6005 8.8693 120.0044 53.0156 44.3011 175.4960 105 E 4.7290 8.5695 122.1678 54.5805 32.7196 175.1193 106 I 5.1230 8.0803 125.0801 58.8423 40.1747 174.8050 107 T 4.6807 8.0898 119.7001 60.1996 71.3725 172.0372 108 D 3.9757 8.5412 126.1288 53.6551 46.1628 176.3004 109 G 3.9961 9.5376 106.1823 46.8922 0.0000 174.0701 110 N 4.6094 8.2062 115.2430 52.2336 37.1532 173.8814 111 L 4.8039 7.4987 120.7994 53.1270 44.4925 175.2211 112 W 4.4512 9.1933 126.8776 54.8304 31.0313 174.2143 113 L 5.1328 8.4980 126.1175 53.7335 42.2120 175.9461 114 G 4.3541 9.6181 111.0925 44.1290 0.0000 171.2816 115 F 5.7794 8.6575 119.0372 55.8743 43.2359 174.1468 116 T 5.0260 8.9481 119.2530 61.3332 71.8022 174.0493 117 V 4.1272 8.0207 125.6639 63.2928 32.6150 175.7138 118 C 4.3598 8.3533 122.2503 59.8597 26.9249 173.9441 119 K 4.1119 8.7234 124.4070 59.1490 32.7852 176.7084 120 P 4.7500 0.0000 0.0000 59.7512 30.6114 175.0315 121 N 4.4273 7.3564 125.7405 52.9852 41.5117 177.0552 122 E 4.2044 9.0875 115.2934 55.5912 30.7577 175.4874 123 K 3.8099 8.5334 117.6567 57.0297 29.6600 176.3534 124 F 4.1598 7.8559 126.4186 57.7994 37.8526 174.2529 125 K 4.0290 8.5886 126.1253 55.0250 30.6424 177.4353 126 D 4.1509 6.6106 116.3388 53.1677 42.5835 173.3453 127 P 5.0509 0.0000 0.0000 61.3648 32.6021 174.6032 128 S 5.2808 7.6864 112.1520 57.5492 66.8819 172.3755 129 L 5.0504 8.9677 120.6508 52.9176 44.5154 175.8685 130 Q 4.8447 9.4739 123.2302 51.7108 28.4420 171.4140 131 C 4.1924 8.5187 118.7611 57.7919 34.6297 172.1630 132 R 5.1562 8.7630 127.6215 54.8582 31.9051 175.5125 133 M 4.5220 9.4799 126.4294 54.4399 33.3052 174.7686 134 A 4.9399 8.8014 128.7542 50.2743 21.2465 175.3193 135 I 5.3382 9.0665 122.8709 59.8205 42.1810 174.8630 136 I 5.4585 8.6490 119.7635 59.0167 41.3538 173.2822 137 N 5.3671 8.7075 118.0374 50.7538 39.8374 171.9463 138 S 4.5937 8.8002 119.6529 58.3718 64.6180 174.4532 139 R 4.3600 8.2330 123.8793 58.2603 31.1548 176.5508 140 R 4.1023 7.6802 118.5333 56.1520 30.6954 176.5976 141 L 4.1812 7.7257 122.5232 54.1024 42.5301 175.3121 142 P 4.1910 0.0000 0.0000 63.5701 31.3224 177.1932 143 G 3.6177 7.3459 101.8567 46.6604 0.0000 173.2052 144 K 4.2864 7.9531 127.3211 54.2364 34.1204 175.6734 145 A 2.5800 7.5019 125.6218 50.4323 21.4004 176.4705 146 S 4.2344 6.6481 118.4429 58.4132 63.5613 175.0359 147 K 4.0500 8.5036 117.5260 55.5405 29.5398 175.7618 148 A 4.2683 9.0798 121.0170 52.7889 18.3530 177.6639 149 V 4.5002 7.6962 114.1540 60.2050 35.6937 174.2419 150 I 4.7767 7.9932 119.5781 58.4820 41.4819 176.2223 151 K 4.2662 8.4614 128.9134 56.1600 33.3272 176.9150 152 T 3.4548 8.2610 118.4020 61.2382 66.1277 174.0675 153 Q 4.1621 8.5019 128.3583 56.5196 28.8952 176.7471 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 8.30 4.45 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 T 7.40 4.11 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 1.23 0.00 0.00 3 I 8.00 4.16 1.89 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 1.53 1.39 0.93 0.00 0.00 4 N 8.13 4.30 0.00 2.92 2.85 0.00 0.00 7.08 7.26 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 5 T 7.96 3.92 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 6 E 8.24 4.14 0.00 2.08 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 0.00 2.36 2.38 0.00 7 V 7.77 3.74 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 0.99 0.00 0.00 1.07 0.00 0.00 8 F 8.66 4.22 0.00 3.26 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.88 3.62 2.15 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 1.46 0.71 0.93 0.00 0.00 10 R 7.99 3.88 0.00 2.15 2.04 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 11 R 8.63 3.92 0.00 1.91 1.94 0.00 3.23 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 12 N 8.13 4.15 0.00 2.74 2.70 0.00 0.00 6.11 5.40 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 13 K 8.32 3.92 0.00 1.90 1.89 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.60 7.81 14 L 8.10 4.01 0.00 1.92 1.84 1.23 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.94 3.66 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 16 R 8.31 3.98 0.00 2.11 2.17 0.00 2.91 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 17 H 8.57 4.04 0.00 3.44 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.97 3.63 0.00 3.32 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 19 E 8.51 4.30 0.00 2.26 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 2.65 2.67 0.00 20 S 8.42 4.10 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.83 3.99 0.00 1.34 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 0.00 2.30 2.40 0.00 22 F 7.99 4.29 0.00 3.61 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 23 R 8.29 4.30 0.00 2.10 2.23 0.00 3.08 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 24 Q 7.97 3.94 0.00 2.14 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 25 I 8.24 4.36 1.80 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.79 0.80 0.00 0.00 26 N 8.80 4.33 0.00 2.78 3.06 0.00 0.00 6.63 6.79 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 27 N 8.36 4.38 0.00 3.01 2.80 0.00 0.00 6.84 7.24 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 28 E 8.19 3.97 0.00 2.20 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 2.24 2.48 0.00 29 I 7.71 3.40 1.60 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 1.14 0.71 -0.43 0.00 0.00 30 R 8.07 3.79 0.00 1.85 1.91 0.00 3.22 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 31 E 8.08 3.97 0.00 2.20 2.16 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 2.54 2.29 0.00 32 A 8.44 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 33 S 8.05 4.79 0.00 3.96 3.91 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 0.00 0.00 0.00 34 K 8.09 3.98 0.00 2.03 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.61 7.81 35 A 8.15 4.12 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 36 A 8.54 4.20 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 37 G 7.84 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 38 V 7.41 4.27 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 0.79 0.00 0.00 1.05 0.00 0.00 39 S 7.48 2.87 0.00 4.00 4.11 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 40 S 7.98 4.76 0.00 3.98 4.07 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 41 F 8.28 5.79 0.00 2.93 2.79 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 0.00 0.00 0.00 0.00 42 H 8.83 4.79 0.00 3.29 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.08 4.75 0.00 1.34 1.33 0.92 1.00 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 44 K 8.71 4.44 0.00 1.71 1.62 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.19 7.81 45 Y 7.72 5.38 0.00 2.88 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 46 S 8.73 4.60 0.00 4.08 4.11 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 47 Q 8.79 4.15 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 7.27 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 48 A 8.04 4.02 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 49 L 7.85 3.88 0.00 1.82 1.87 1.05 0.69 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 50 L 7.80 3.85 0.00 1.61 1.38 -0.45 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.05 4.41 0.00 3.07 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 52 R 7.96 3.86 0.00 1.96 2.15 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 53 A 7.92 4.54 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.17 3.70 1.95 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 1.73 0.46 0.96 0.00 0.00 55 Q 8.26 4.47 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.12 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 56 R 8.25 4.32 0.00 1.89 2.00 0.00 3.28 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 57 E 7.77 4.83 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 2.26 2.25 0.00 58 I 7.98 3.83 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.43 1.00 0.00 0.00 59 D 8.94 4.42 0.00 2.82 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 60 E 7.90 4.41 0.00 2.21 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 2.48 2.59 0.00 61 T 7.94 4.29 4.13 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 0.86 0.00 0.00 62 Y 8.08 4.02 0.00 3.04 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 63 V 7.64 2.82 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 -0.04 0.00 0.00 0.79 0.00 0.00 64 F 7.65 3.82 0.00 3.28 3.12 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 65 E 7.90 3.97 0.00 2.03 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 2.37 2.54 0.00 66 L 7.75 3.81 0.00 1.05 1.27 0.70 0.91 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 67 F 8.02 4.47 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.32 4.38 0.00 3.34 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.86 4.31 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.59 7.81 70 I 7.88 4.01 2.13 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.66 1.26 0.00 0.00 71 K 7.59 3.90 0.00 2.24 2.27 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.53 7.81 72 D 8.08 4.51 0.00 2.77 2.79 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 0.00 0.00 0.00 0.00 73 H 8.61 4.53 0.00 3.44 3.66 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.97 3.83 2.16 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 1.04 0.00 0.00 1.11 0.00 0.00 75 L 8.38 3.99 0.00 1.79 1.83 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.18 3.99 0.00 1.96 1.90 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 2.10 2.04 0.00 77 V 7.83 3.93 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 0.87 0.00 0.00 0.23 0.00 0.00 78 N 8.56 4.31 0.00 2.99 2.96 0.00 0.00 6.75 8.38 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 79 E 8.61 4.05 0.00 2.07 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 0.00 2.45 2.66 0.00 80 F 8.05 4.51 0.00 2.96 3.16 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 81 L 7.70 3.93 0.00 1.69 1.72 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.17 4.46 0.00 3.86 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 83 M 7.07 4.29 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 84 P 0.00 4.47 0.00 2.03 2.05 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 85 P 0.00 4.21 0.00 2.34 2.03 0.00 3.75 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 1.97 1.99 0.00 86 R 8.46 3.94 0.00 1.87 2.14 0.00 3.28 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 87 P 0.00 4.91 0.00 2.26 2.19 0.00 3.77 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 88 D 8.28 4.88 0.00 2.84 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 89 I 7.20 4.26 2.02 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 1.50 0.98 0.94 0.00 0.00 90 D 8.57 4.87 0.00 2.62 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 91 E 8.46 4.18 0.00 2.15 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 2.31 2.37 0.00 92 D 8.05 4.84 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.08 3.83 0.00 3.37 3.09 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 94 I 6.07 4.02 1.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.56 0.39 0.00 0.00 95 D 8.17 4.53 0.00 2.72 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 96 G 7.94 3.70 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 0.00 0.00 0.00 97 V 7.41 4.22 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 0.88 0.00 0.00 0.86 0.00 0.00 98 E 8.63 4.31 0.00 1.97 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 2.28 2.29 0.00 99 Y 8.07 3.40 0.00 3.02 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 0.00 100 R 7.52 4.58 0.00 1.80 1.80 0.00 3.08 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 101 P 0.00 4.40 0.00 2.11 1.99 0.00 3.59 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 102 G 8.47 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 0.00 0.00 0.00 0.00 103 R 7.45 5.12 0.00 1.94 1.92 0.00 3.03 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 104 L 8.87 4.60 0.00 1.87 1.44 0.98 0.50 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 0.00 105 E 8.57 4.73 0.00 1.72 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 0.00 2.17 2.24 0.00 106 I 8.08 5.12 1.74 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 0.34 1.87 0.85 0.00 0.00 107 T 8.09 4.68 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 0.69 0.00 0.00 108 D 8.54 3.98 0.00 2.49 2.44 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 0.00 109 G 9.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.61 0.00 2.76 3.30 0.00 0.00 6.46 6.70 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 0.00 111 L 7.50 4.80 0.00 1.84 1.33 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 112 W 9.19 4.45 0.00 3.44 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 0.00 113 L 8.50 5.13 0.00 1.55 1.43 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 114 G 9.62 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 0.00 0.00 0.00 115 F 8.66 5.78 0.00 3.04 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 0.00 116 T 8.95 5.03 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 1.29 0.00 0.00 117 V 8.02 4.13 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 0.62 0.00 0.00 0.67 0.00 0.00 118 C 8.35 4.36 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 0.00 119 K 8.72 4.11 0.00 1.90 1.99 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 120 P 0.00 4.75 0.00 2.07 2.06 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 121 N 7.36 4.43 0.00 2.76 2.45 0.00 0.00 6.16 8.05 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 0.00 122 E 9.09 4.20 0.00 1.97 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 2.43 2.61 0.00 123 K 8.53 3.81 0.00 1.98 1.84 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.50 7.81 124 F 7.86 4.16 0.00 2.93 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 0.00 125 K 8.59 4.03 0.00 1.77 2.00 0.00 1.11 0.00 0.00 1.03 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.26 7.81 126 D 6.61 4.15 0.00 1.58 2.13 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 0.00 127 P 0.00 5.05 0.00 2.27 2.26 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 128 S 7.69 5.28 0.00 3.94 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 0.00 129 L 8.97 5.05 0.00 1.70 1.67 0.95 1.18 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 0.00 130 Q 9.47 4.84 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 131 C 8.52 4.19 0.00 3.12 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 0.00 132 R 8.76 5.16 0.00 1.97 2.37 0.00 3.83 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 133 M 9.48 4.52 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 134 A 8.80 4.94 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 135 I 9.07 5.34 1.95 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 0.99 1.97 1.00 0.00 0.00 136 I 8.65 5.46 1.96 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 1.48 1.39 1.13 0.00 0.00 137 N 8.71 5.37 0.00 2.76 2.85 0.00 0.00 6.86 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 0.00 138 S 8.80 4.59 0.00 3.80 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 0.00 139 R 8.23 4.36 0.00 1.86 1.86 0.00 3.08 0.00 0.00 3.28 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 140 R 7.68 4.10 0.00 1.95 2.10 0.00 3.05 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 141 L 7.73 4.18 0.00 1.71 1.64 0.96 1.08 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 0.00 142 P 0.00 4.19 0.00 2.08 2.08 0.00 3.89 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 2.04 2.09 0.00 143 G 7.35 3.62 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 0.00 0.00 0.00 144 K 7.95 4.29 0.00 1.54 1.46 0.00 1.48 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.20 1.04 7.81 145 A 7.50 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 6.65 4.23 0.00 4.06 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 0.00 147 K 8.50 4.05 0.00 1.82 2.28 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.25 7.81 148 A 9.08 4.27 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 0.00 149 V 7.70 4.50 2.18 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 0.84 0.00 0.00 0.91 0.00 0.00 150 I 7.99 4.78 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 2.41 0.90 0.00 0.00 151 K 8.46 4.27 0.00 1.98 1.60 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.43 7.81 152 T 8.26 3.45 4.39 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 1.23 0.00 0.00 153 Q 8.50 4.16 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.44 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00