NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4006 8.3349 115.5424 58.2682 63.7498 172.9436 1 M 4.3745 8.1768 116.5722 54.4466 33.7110 173.6839 2 K 5.1390 10.6123 124.8698 54.5933 35.7695 174.6972 3 L 5.3540 9.5923 125.5153 52.8434 44.8198 175.1113 4 L 4.6703 8.6408 125.8384 53.0137 44.7890 174.7374 5 F 5.3104 8.9110 124.9187 55.7304 41.7556 174.7212 6 V 5.5701 9.5645 123.5633 60.3947 34.3182 173.5703 7 C 5.5139 8.4182 124.0701 57.7493 32.9282 173.6344 8 L 4.0597 8.3643 117.8398 57.4885 41.1399 180.2368 9 G 3.9005 8.2685 105.7108 44.7171 0.0000 173.1295 10 N 4.4912 8.4615 116.2585 53.5112 37.5678 174.3472 11 I 4.4244 7.3179 110.0157 60.3217 39.0978 174.9982 12 C 4.7769 7.3903 115.9788 61.4992 31.1503 176.1969 13 R 3.9513 7.8175 117.7916 59.6271 29.7061 179.4201 14 S 4.1675 7.9982 113.4741 60.8504 63.1965 174.3866 15 P 4.2520 0.0000 0.0000 65.3224 31.0585 178.3551 16 A 3.8963 7.7277 118.2028 54.7904 18.1847 179.4472 17 A 3.4834 8.0671 119.6581 55.0545 18.3017 179.4003 18 E 3.6111 8.2126 117.8058 59.2979 29.7132 178.9564 19 A 3.9320 7.8113 120.6750 55.0984 18.3850 179.7899 20 V 3.0290 7.7339 117.1270 66.1304 31.4470 177.8863 21 M 3.7818 7.7488 118.0707 58.4557 31.9419 178.0900 22 K 3.8874 8.1584 118.8635 59.4744 32.2553 179.1468 23 K 3.9394 8.0894 119.6624 59.4455 32.1835 178.9322 24 V 3.5876 7.9947 118.7033 66.1145 31.3469 177.9472 25 I 3.6024 7.8982 119.6962 64.4140 36.9525 178.1372 26 Q 3.9547 8.2891 120.4080 59.3852 28.6747 177.9913 27 N 4.2594 8.3700 116.5803 56.4331 38.6313 176.0918 28 H 4.5228 8.1164 114.4920 54.8433 29.3437 174.7767 29 H 4.1479 7.9337 116.7923 57.6350 26.7951 175.1951 30 L 4.9071 8.2267 115.3797 54.7048 42.5956 179.1285 31 T 3.9629 8.3447 114.9293 65.5209 68.6600 176.8332 32 E 4.0836 8.2090 116.8727 58.0234 30.2188 179.9275 33 K 4.1419 8.2133 118.8614 57.8723 32.7462 175.6165 34 Y 5.3994 7.4267 115.1736 56.0410 41.0349 175.4605 35 I 4.7479 9.0001 123.2127 59.8100 40.6239 174.3292 36 C 5.5999 8.9262 123.4706 58.4368 31.0681 172.3114 37 D 5.0811 9.3007 120.8663 53.2701 45.2107 173.5659 38 S 5.3273 8.4283 114.0940 57.1709 66.6090 172.4593 39 A 4.7892 8.7437 121.1013 51.4101 23.2360 175.2363 40 G 4.5443 9.1007 106.4431 44.4602 0.0000 174.7826 41 T 4.3809 8.9899 112.4612 63.6147 69.9138 173.5335 42 C 5.0452 8.0611 122.1450 57.3981 33.8939 173.8701 43 S 4.6771 8.5475 118.0284 58.1939 63.3434 175.0998 44 Y 3.9769 8.1301 123.3033 61.1982 38.7259 176.4451 45 H 4.6033 8.1470 114.2105 55.1521 29.1842 174.2151 46 E 4.2300 7.6996 121.2532 58.3100 29.5484 177.3909 47 G 3.9544 9.0916 114.9804 44.9044 0.0000 172.9503 48 Q 4.3485 7.9261 122.0702 54.9420 30.3224 175.0622 49 Q 4.5736 8.7905 126.9558 56.0908 29.8521 175.7838 50 A 4.2628 8.0870 126.0770 52.1951 19.3956 177.0669 51 D 4.4002 9.1559 120.8750 54.9535 41.7401 177.8532 52 S 4.0702 9.0269 120.9074 61.8629 62.7274 176.9895 53 R 3.5419 8.3026 121.8230 58.9956 29.6363 178.6606 54 M 4.1124 7.7961 117.5894 58.4489 32.2729 178.3188 55 R 3.8999 8.1371 118.5231 58.9832 30.2678 178.8997 56 K 3.8441 8.1321 119.5108 59.5892 32.4007 178.9977 57 V 3.6267 8.0524 119.0389 65.7634 31.3666 177.9683 58 G 3.8032 8.5164 105.8363 47.8768 0.0000 175.4531 59 K 4.2421 8.5567 124.2552 58.6369 32.0566 179.0494 60 S 4.1898 8.0410 112.9594 60.7627 62.9264 175.5805 61 R 4.4762 7.7172 119.2439 55.8055 30.2678 176.8537 62 G 3.6961 8.1134 107.3805 45.3170 0.0000 172.8960 63 Y 4.6402 8.2550 116.6725 55.8072 40.7715 175.1497 64 Q 4.5049 8.5141 124.1484 54.5561 28.3702 174.6983 65 V 3.8870 8.0593 124.6758 61.6463 31.2482 175.6553 66 D 4.5410 8.3230 127.6170 53.0261 42.1954 173.9892 67 S 4.8291 8.2768 121.1151 56.7575 68.0636 172.9812 68 I 4.7186 8.1688 122.2214 59.2394 39.1938 175.5999 69 S 4.6301 9.2025 123.0772 59.2532 63.3629 173.3511 70 R 5.0683 9.3535 122.3953 53.8990 33.0237 172.6324 71 P 5.0163 0.0000 0.0000 62.0318 32.9055 175.8864 72 V 3.7938 8.6875 122.3015 63.3312 32.0697 175.8207 73 V 4.5391 8.9793 120.8666 58.9306 34.6672 176.8297 74 S 4.4495 8.6773 116.6794 61.9423 62.5651 176.6660 75 S 4.2521 8.0406 116.4939 60.5482 62.8644 175.7968 76 D 4.6073 7.9779 123.3062 57.5525 40.2262 178.5946 77 F 4.2653 7.3417 117.4258 59.7303 38.8848 177.0791 78 K 2.9706 7.4407 117.9188 58.5742 32.4947 177.9076 79 N 4.3054 8.2298 115.8633 54.6474 38.9410 175.8502 80 F 4.3900 7.4009 117.9380 56.8299 40.1686 175.4651 81 D 4.3881 8.8221 124.2136 56.8716 41.4390 176.7078 82 Y 5.0412 7.8099 113.9078 56.2562 42.9128 174.5093 83 I 4.6926 8.5552 122.7541 59.4457 41.3909 174.2572 84 F 5.4757 9.1782 125.6610 55.6459 41.6939 174.3638 85 A 4.8849 9.3864 126.9443 51.6311 19.8376 178.0912 86 M 4.3450 9.2374 122.4268 57.7801 33.5593 175.9985 87 D 5.0993 8.6694 116.4548 50.5998 43.2738 175.8792 88 N 4.3283 8.7820 115.4287 56.4510 38.3561 177.0855 89 D 4.5408 8.3206 119.8300 57.7398 40.9104 178.5440 90 N 4.3853 8.9353 117.0703 56.4326 38.5468 176.7092 91 Y 4.0758 8.0679 120.7406 61.1957 38.8299 178.0289 92 Y 4.1388 8.0032 117.4965 60.7881 37.6494 178.1206 93 E 3.9970 8.3582 119.6692 59.4625 29.7781 179.2149 94 L 4.2022 8.1433 119.0366 58.1442 41.5465 179.7918 95 L 3.8050 7.5802 117.2315 57.6652 41.5337 178.7410 96 D 4.3906 8.3264 117.6788 56.7202 41.2203 177.6176 97 R 4.3423 7.2445 115.8082 55.1969 31.0693 175.7223 98 C 3.1401 6.6806 119.5835 56.7837 32.4446 171.4698 99 P 4.2429 0.0000 0.0000 62.6232 31.6131 176.7166 100 E 3.8567 8.7967 121.8343 59.5617 29.1785 179.0869 101 Q 3.9658 7.7187 115.3352 57.8791 29.1719 176.4814 102 Y 4.8271 7.5620 117.3546 57.7317 39.0884 177.3520 103 K 3.8728 7.7867 121.0453 59.2823 31.8964 178.6612 104 Q 4.0565 7.9404 116.1278 58.3304 28.8495 177.9733 105 K 4.2930 8.2564 120.8533 57.6015 32.0554 176.1606 106 I 4.7231 6.8288 120.1856 60.1885 38.2082 175.5237 107 F 5.1081 9.2953 124.9239 55.4416 43.8978 174.1465 108 K 4.4264 8.5522 120.6693 56.3610 32.8228 177.5196 109 M 4.2874 9.6023 125.5763 59.3674 32.2166 178.8886 110 V 3.8903 7.8216 110.7507 63.4653 31.6060 177.1539 111 D 4.5446 7.8462 117.2066 55.1527 40.6382 176.4505 112 F 4.6009 7.9619 118.0978 57.0933 40.0059 175.3944 113 C 4.6292 8.0645 120.2558 60.0767 28.2301 173.5968 114 T 4.5765 9.4286 112.9056 61.6188 69.9247 174.0403 115 T 4.3777 8.2941 115.7199 65.2518 70.7732 174.1640 116 I 3.9105 8.4630 121.6904 60.6632 37.5499 175.9061 117 K 4.3290 8.5105 125.5735 55.7410 32.0732 175.9772 118 T 4.6046 8.0102 117.2814 61.1606 70.0387 173.3661 119 T 4.3026 8.3437 116.1397 62.3645 70.0426 173.7202 120 E 4.6440 7.6359 119.6140 55.5812 33.5635 174.8349 121 V 4.1036 8.7661 121.6954 61.2134 31.4779 173.8937 122 P 4.6592 0.0000 0.0000 61.4800 32.1478 176.1728 123 D 4.2694 8.7453 123.8156 54.2028 41.4374 174.0658 124 P 4.3596 0.0000 0.0000 62.8226 32.0123 176.9478 125 Y 3.9207 8.2819 121.1812 60.7301 38.6565 176.3209 126 Y 4.5841 8.0469 114.1417 57.5168 38.4392 175.2155 127 G 4.3870 7.8656 111.0054 44.0307 0.0000 172.2250 128 G 4.1517 8.2136 108.5397 44.1951 0.0000 173.9117 129 E 4.1885 8.9520 119.8236 60.0944 29.1611 180.0725 130 K 4.1708 8.3468 123.4667 59.9759 31.8145 181.9181 131 G 3.7595 8.1355 106.1832 47.6367 0.0000 175.9470 132 F 3.9716 8.1998 119.5716 60.6631 39.0300 177.2702 133 H 4.2193 8.4702 115.9137 58.8292 28.5009 177.7300 134 R 4.0499 8.2806 120.6531 59.3941 29.8837 178.6113 135 V 3.5350 7.5915 117.4960 66.1741 31.4220 178.0647 136 I 3.5823 7.6229 119.0086 64.3116 37.0345 177.8305 137 D 4.4135 8.4704 120.1825 57.8212 40.6649 179.3130 138 I 3.7329 7.7769 119.7779 64.3736 37.1015 178.6063 139 L 3.8843 8.0046 119.8741 57.7226 40.8729 179.3963 140 E 3.9523 8.4243 118.9568 59.3872 29.3097 178.6669 141 D 4.2997 8.0076 117.4108 57.3802 41.2983 178.1747 142 A 4.2411 8.2897 122.6908 54.9445 18.5002 179.4546 143 C 3.8703 8.5296 115.6060 62.5661 27.8685 175.9489 144 E 3.8070 7.7513 120.2174 59.3641 29.2818 178.4906 145 N 4.3779 7.9356 116.7276 56.3500 38.9206 176.4373 146 L 3.4163 8.0848 122.2949 58.0977 42.0235 178.8763 147 I 3.3179 7.4600 118.3370 63.8184 37.6968 177.9271 148 I 3.6404 7.2239 119.2960 64.3640 37.0099 178.4042 149 K 3.9305 8.0640 119.2265 59.4849 31.8656 179.3844 150 L 3.9138 7.9523 119.1691 58.0217 41.3832 179.5538 151 E 4.1666 8.1282 117.0465 59.1177 29.5224 178.5444 152 E 4.2800 8.4916 117.0315 56.4069 29.6123 177.3602 153 G 3.9701 8.0209 107.7242 46.4506 0.0000 175.6627 154 K 4.0839 8.5651 119.3272 57.3527 32.4195 177.4376 155 L 4.4062 7.2651 124.2429 54.7733 41.6758 176.1313 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 S 8.33 4.40 0.00 3.82 3.84 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 1 M 8.18 4.37 0.00 2.07 1.49 0.00 0.00 0.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 2 K 10.61 5.14 0.00 1.47 1.45 0.00 1.02 0.00 0.00 1.41 0.00 0.00 2.69 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 1.44 7.81 3 L 9.59 5.35 0.00 1.69 1.55 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.64 4.67 0.00 0.27 0.87 0.26 0.11 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 5 F 8.91 5.31 0.00 3.03 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 6 V 9.56 5.57 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 0.79 0.00 0.00 0.82 0.00 0.00 7 C 8.42 5.51 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 8 L 8.36 4.06 0.00 1.83 1.70 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.27 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 10 N 8.46 4.49 0.00 2.85 2.88 0.00 0.00 7.13 7.94 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 11 I 7.32 4.42 1.87 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 1.13 1.14 0.88 0.00 0.00 12 C 7.39 4.78 0.00 3.00 2.91 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 13 R 7.82 3.95 0.00 1.85 1.96 0.00 3.20 0.00 0.00 3.56 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 14 S 8.00 4.17 0.00 4.23 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.25 0.00 2.19 2.15 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 16 A 7.73 3.90 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 17 A 8.07 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.21 3.61 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 19 A 7.81 3.93 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 20 V 7.73 3.03 1.69 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 0.75 0.00 0.00 -0.09 0.00 0.00 21 M 7.75 3.78 0.00 1.92 1.48 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.83 0.00 22 K 8.16 3.89 0.00 2.06 1.88 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.61 7.81 23 K 8.09 3.94 0.00 2.17 2.21 0.00 1.53 0.00 0.00 1.45 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.52 7.81 24 V 7.99 3.59 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 0.84 0.00 0.00 0.99 0.00 0.00 25 I 7.90 3.60 2.01 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 1.03 0.41 1.02 0.00 0.00 26 Q 8.29 3.95 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 27 N 8.37 4.26 0.00 2.88 2.81 0.00 0.00 7.10 8.10 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 28 H 8.12 4.52 0.00 3.08 3.32 0.00 5.81 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.93 4.15 0.00 3.30 3.39 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.23 4.91 0.00 1.79 1.96 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.34 3.96 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 32 E 8.21 4.08 0.00 2.01 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 2.23 1.87 0.00 33 K 8.21 4.14 0.00 1.74 1.95 0.00 1.46 0.00 0.00 1.72 0.00 0.00 2.68 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.37 1.08 7.81 34 Y 7.43 5.40 0.00 2.89 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 35 I 9.00 4.75 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 1.00 0.00 0.00 36 C 8.93 5.60 0.00 2.97 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 37 D 9.30 5.08 0.00 3.05 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.43 5.33 0.00 3.97 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 39 A 8.74 4.79 1.16 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 40 G 9.10 4.54 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 41 T 8.99 4.38 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 42 C 8.06 5.05 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.55 4.68 0.00 4.21 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 44 Y 8.13 3.98 0.00 2.88 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.15 4.60 0.00 3.41 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.70 4.23 0.00 1.98 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 2.32 2.29 0.00 47 G 9.09 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.93 4.35 0.00 2.31 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 49 Q 8.79 4.57 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 A 8.09 4.26 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 51 D 9.16 4.40 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.03 4.07 0.00 4.02 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 53 R 8.30 3.54 0.00 0.92 0.85 0.00 2.81 0.00 0.00 2.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.00 54 M 7.80 4.11 0.00 2.32 2.40 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.00 0.00 55 R 8.14 3.90 0.00 1.98 1.95 0.00 3.30 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 56 K 8.13 3.84 0.00 1.80 1.86 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.39 7.81 57 V 8.05 3.63 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 0.77 0.00 0.00 0.83 0.00 0.00 58 G 8.52 3.80 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 0.00 0.00 0.00 59 K 8.56 4.24 0.00 1.88 1.95 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.29 7.81 60 S 8.04 4.19 0.00 4.10 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 61 R 7.72 4.48 0.00 2.20 2.24 0.00 3.40 0.00 0.00 3.40 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 62 G 8.11 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 63 Y 8.25 4.64 0.00 2.97 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 64 Q 8.51 4.50 0.00 1.99 2.07 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 2.27 2.40 0.00 65 V 8.06 3.89 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 0.84 0.00 0.00 0.95 0.00 0.00 66 D 8.32 4.54 0.00 2.60 2.53 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 0.00 0.00 0.00 0.00 67 S 8.28 4.83 0.00 3.76 3.68 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 68 I 8.17 4.72 1.88 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 1.24 0.88 0.95 0.00 0.00 69 S 9.20 4.63 0.00 3.97 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 70 R 9.35 5.07 0.00 1.86 1.95 0.00 2.83 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 71 P 0.00 5.02 0.00 2.10 2.10 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 72 V 8.69 3.79 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 0.42 0.00 0.00 0.85 0.00 0.00 73 V 8.98 4.54 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 0.79 0.00 0.00 0.98 0.00 0.00 74 S 8.68 4.45 0.00 4.20 4.25 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 75 S 8.04 4.25 0.00 4.05 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 76 D 7.98 4.61 0.00 2.31 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 77 F 7.34 4.27 0.00 3.07 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 78 K 7.44 2.97 0.00 1.48 1.78 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.42 7.81 79 N 8.23 4.31 0.00 2.57 2.53 0.00 0.00 7.10 7.30 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 80 F 7.40 4.39 0.00 3.06 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 81 D 8.82 4.39 0.00 2.70 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 0.00 0.00 0.00 82 Y 7.81 5.04 0.00 2.98 2.45 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 0.00 83 I 8.56 4.69 1.80 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 1.01 0.66 0.83 0.00 0.00 84 F 9.18 5.48 0.00 2.87 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 85 A 9.39 4.88 1.49 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 86 M 9.24 4.34 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.90 0.00 87 D 8.67 5.10 0.00 3.02 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 88 N 8.78 4.33 0.00 2.87 3.14 0.00 0.00 6.82 8.08 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 89 D 8.32 4.54 0.00 3.05 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 90 N 8.94 4.39 0.00 2.93 2.94 0.00 0.00 6.73 7.02 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 91 Y 8.07 4.08 0.00 2.99 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 92 Y 8.00 4.14 0.00 3.14 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 93 E 8.36 4.00 0.00 2.32 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 2.40 2.56 0.00 94 L 8.14 4.20 0.00 1.83 1.84 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.58 3.81 0.00 1.61 1.58 0.24 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.33 4.39 0.00 2.74 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 97 R 7.24 4.34 0.00 1.88 2.05 0.00 3.25 0.00 0.00 3.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 98 C 6.68 3.14 0.00 2.25 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 99 P 0.00 4.24 0.00 2.19 1.90 0.00 3.57 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.09 0.00 100 E 8.80 3.86 0.00 1.98 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 2.32 2.37 0.00 101 Q 7.72 3.97 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 1.90 1.35 0.00 102 Y 7.56 4.83 0.00 3.00 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 0.00 103 K 7.79 3.87 0.00 1.82 1.76 0.00 1.83 0.00 0.00 1.59 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.55 7.81 104 Q 7.94 4.06 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.12 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 105 K 8.26 4.29 0.00 1.96 1.88 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.63 7.81 106 I 6.83 4.72 1.82 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 1.27 0.52 0.85 0.00 0.00 107 F 9.30 5.11 0.00 3.05 3.25 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 0.00 108 K 8.55 4.43 0.00 1.72 1.62 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.72 0.34 7.81 109 M 9.60 4.29 0.00 2.20 2.36 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 2.68 2.70 0.00 110 V 7.82 3.89 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 0.86 0.00 0.00 0.96 0.00 0.00 111 D 7.85 4.54 0.00 2.71 2.42 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 0.00 112 F 7.96 4.60 0.00 3.20 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 0.00 113 C 8.06 4.63 0.00 3.08 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 0.00 114 T 9.43 4.58 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 1.26 0.00 0.00 115 T 8.29 4.38 4.36 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 1.21 0.00 0.00 116 I 8.46 3.91 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.46 0.91 0.00 0.00 117 K 8.51 4.33 0.00 1.74 1.76 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.41 7.81 118 T 8.01 4.60 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 1.25 0.00 0.00 119 T 8.34 4.30 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 1.21 0.00 0.00 120 E 7.64 4.64 0.00 2.00 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 0.00 2.19 2.23 0.00 121 V 8.77 4.10 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 0.73 0.00 0.00 0.94 0.00 0.00 122 P 0.00 4.66 0.00 1.94 1.96 0.00 3.75 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 123 D 8.75 4.27 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.36 0.00 0.49 1.76 0.00 3.62 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 1.31 1.38 0.00 125 Y 8.28 3.92 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.05 4.58 0.00 3.09 2.99 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 0.00 127 G 7.87 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 0.00 0.00 0.00 0.00 128 G 8.21 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.95 4.19 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 130 K 8.35 4.17 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.09 7.81 131 G 8.14 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 0.00 132 F 8.20 3.97 0.00 3.19 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 0.00 133 H 8.47 4.22 0.00 3.41 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.28 4.05 0.00 2.00 2.12 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 135 V 7.59 3.53 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.82 0.00 0.00 136 I 7.62 3.58 2.03 0.00 0.00 0.73 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 0.86 0.92 0.00 0.00 137 D 8.47 4.41 0.00 2.86 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 0.00 138 I 7.78 3.73 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.90 0.00 0.00 139 L 8.00 3.88 0.00 1.63 1.46 0.74 0.67 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 0.00 140 E 8.42 3.95 0.00 2.14 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 2.40 2.42 0.00 141 D 8.01 4.30 0.00 2.81 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 0.00 142 A 8.29 4.24 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 0.00 143 C 8.53 3.87 0.00 2.85 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 0.00 144 E 7.75 3.81 0.00 2.23 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 2.31 2.36 0.00 145 N 7.94 4.38 0.00 2.88 3.02 0.00 0.00 6.90 7.83 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 0.00 146 L 8.08 3.42 0.00 1.01 1.41 -0.40 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.46 3.32 1.55 0.00 0.00 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 1.18 0.78 0.62 0.00 0.00 148 I 7.22 3.64 2.02 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 0.57 0.91 0.00 0.00 149 K 8.06 3.93 0.00 1.89 1.90 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.88 7.81 150 L 7.95 3.91 0.00 1.76 1.86 0.67 0.73 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 0.00 151 E 8.13 4.17 0.00 2.02 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 2.54 2.54 0.00 152 E 8.49 4.28 0.00 2.01 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 2.42 0.00 153 G 8.02 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 0.00 0.00 0.00 154 K 8.57 4.08 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.43 7.81 155 L 7.27 4.41 0.00 1.49 1.60 0.09 0.72 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