NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5873 8.4293 116.1959 55.1354 30.2994 173.2569 2 C 4.1095 7.6423 114.0312 56.9326 30.1931 172.1770 3 D 4.5783 8.3375 118.6768 55.0830 40.1159 175.5324 4 L 4.0693 8.0396 120.4941 56.9875 42.2705 175.6608 5 P 4.5843 0.0000 0.0000 62.1763 32.4051 175.3202 6 C 4.2723 8.4542 113.5098 57.8438 30.6244 174.9937 7 G 3.9242 8.2310 107.4857 45.4518 0.0000 172.8975 8 V 4.2720 7.2097 119.2335 61.1448 32.5167 174.3728 9 Y 4.7279 8.0180 123.4641 56.7417 42.1675 174.3087 10 D 3.6376 7.8574 116.2780 51.7407 43.9076 174.8990 11 P 4.0731 0.0000 0.0000 64.5957 31.1541 178.0705 12 A 3.9883 8.6590 120.7005 55.0984 17.6743 179.6590 13 Q 3.7517 7.9679 116.4354 59.0616 28.7705 178.8788 14 A 4.0782 7.7445 121.2512 55.0231 18.4312 179.4031 15 R 3.8436 8.1080 117.3084 59.7055 30.3028 178.7423 16 I 3.6955 7.9379 119.6679 64.5584 37.0843 178.3426 17 E 4.0070 7.9549 118.0092 59.3383 29.2897 179.2916 18 A 4.0784 8.2262 120.8390 55.0611 18.2980 179.5753 19 E 3.9778 8.4659 117.7015 59.6013 29.4028 179.6762 20 S 4.1179 7.9483 115.0374 61.3144 62.8398 176.7599 21 V 3.5599 7.6966 121.0270 66.0556 31.3258 178.0977 22 K 4.1594 8.0787 119.0579 59.3832 32.0045 178.5337 23 A 4.0299 8.3139 121.4000 55.3031 18.2649 179.7381 24 I 3.7502 8.1629 118.6443 64.5947 37.0929 178.6854 25 Q 4.0310 8.0914 118.9978 58.9480 28.3508 178.7422 26 E 4.0185 8.3959 119.7216 59.4137 29.6180 179.5783 27 K 4.1265 8.1508 118.5371 59.6155 31.8879 179.3347 28 M 4.4099 8.2514 118.0725 57.9038 31.9066 177.9321 29 A 4.2639 7.8285 119.4196 53.2834 18.9441 177.6238 30 A 4.4313 7.5633 118.2511 51.8787 19.7603 176.6006 31 N 4.6587 7.7959 115.1614 52.6080 40.4710 173.2330 32 D 4.7533 8.6531 124.8281 53.1677 40.2297 176.6330 33 D 4.3946 8.6433 121.0630 54.6582 42.3206 176.0664 34 L 3.9322 8.7492 128.5735 59.0902 42.1282 178.9866 35 H 4.1365 8.3290 115.2315 58.7145 28.6525 177.5201 36 F 4.2467 8.6058 122.6830 61.3290 39.2637 177.2609 37 Q 3.8997 8.4506 117.9423 58.8182 28.3739 178.9544 38 I 3.6371 7.8770 120.8368 64.5018 37.1283 178.6917 39 R 3.8206 7.9628 118.5906 59.1531 29.7998 179.0114 40 A 3.7197 7.9452 120.8837 55.2735 18.2835 179.8766 41 T 3.7227 7.7981 114.1682 66.6412 68.4042 177.0090 42 V 3.5473 7.8616 120.2886 66.2682 31.5407 178.2181 43 I 3.9947 7.9165 121.0565 63.5986 36.9322 178.3016 44 K 3.8979 8.3859 121.0302 59.3512 31.9589 178.4393 45 E 3.9156 8.2125 119.6262 59.3923 29.6930 178.9068 46 Q 3.9751 7.8308 118.0767 59.1259 28.7807 179.0051 47 R 4.0648 8.2399 118.9411 59.0263 30.0190 178.9525 48 A 4.0072 8.1880 120.8112 55.0207 18.3509 179.2986 49 E 3.8674 8.1956 117.9509 59.3885 29.6676 179.0953 50 L 3.9619 7.9741 118.8354 57.5814 41.6801 179.2752 51 A 4.0585 8.1971 120.8049 55.1929 18.2730 179.8401 52 K 3.9225 8.2945 117.1489 59.7414 32.0905 179.0035 53 H 4.1471 8.3420 118.4865 59.7320 29.8802 177.0363 54 H 4.2109 8.2853 117.9616 58.9086 28.4945 177.8779 55 L 4.1115 8.0221 120.8009 57.8147 41.4046 179.1839 56 D 4.5504 8.5673 119.3955 57.4217 40.6807 179.0522 57 V 3.7428 8.0556 118.7987 65.9260 31.4628 178.0992 58 L 3.9502 8.0135 118.6144 57.4996 41.2655 179.3177 59 W 4.6244 8.4565 127.3437 60.7116 30.8259 177.7945 60 S 3.9902 8.7239 113.2107 60.5398 62.8681 175.1996 61 D 4.6905 8.2724 120.9998 55.9937 41.7037 177.4671 62 Y 3.4263 7.5250 118.2333 60.1120 39.0278 175.6295 63 F 3.9328 7.9266 118.2702 57.2976 39.5306 175.2472 64 K 4.5322 8.1080 123.9015 53.7120 35.0654 175.2949 65 P 4.4517 0.0000 0.0000 65.9293 31.0295 177.0936 66 P 4.2822 0.0000 0.0000 65.8484 31.1038 178.3956 67 H 4.3036 8.0435 115.0769 59.0023 28.3886 177.9172 68 F 4.2880 7.7313 117.7759 60.2273 38.8253 177.2384 69 E 4.2090 7.9007 117.5884 59.5287 29.4257 179.1100 70 S 4.3167 8.3106 114.3480 59.9543 64.0913 174.1282 71 Y 4.5888 8.0593 120.0533 54.5277 37.6131 173.9443 72 P 4.2702 0.0000 0.0000 65.1281 31.9945 177.1506 73 E 4.4896 8.1326 115.2593 56.2821 30.3209 177.4912 74 L 3.9233 8.4120 122.7350 58.4571 42.0942 178.3873 75 H 4.3800 8.3827 115.5765 59.4684 28.6681 177.6718 76 T 3.8214 7.9570 116.8031 66.4101 68.2896 176.1862 77 L 3.9333 8.2569 122.5776 58.3045 42.1138 179.3006 78 V 3.5236 7.9151 118.2016 65.8766 31.4539 177.4622 79 N 4.0206 8.0010 116.8610 56.6294 38.6996 176.7624 80 E 3.7325 8.2994 120.1841 58.9764 29.5142 179.1791 81 A 3.8433 7.5224 120.8421 55.3296 18.4841 180.2126 82 V 3.6053 7.8164 110.9683 64.3600 31.5465 179.0486 83 K 3.9975 8.1363 118.1537 59.1459 31.8224 179.2696 84 A 4.0897 8.1380 121.4483 55.0034 18.2580 179.6947 85 L 4.0291 7.8027 117.3440 57.9274 41.5459 179.7957 86 S 4.1117 8.0680 115.1019 61.5203 62.5253 176.5838 87 A 3.9881 7.9404 122.4006 55.0480 18.4700 179.2836 88 A 4.1784 7.9553 120.7215 54.4722 18.1628 180.0062 89 K 3.9522 7.7982 116.4288 59.2995 32.1625 178.3678 90 A 4.5034 7.3533 118.3629 51.1738 18.9646 176.6511 91 S 4.6335 7.2709 112.3712 57.8119 65.6142 173.9871 92 T 4.3458 8.3173 113.4385 61.3089 69.6465 173.8846 93 D 4.5060 8.2509 124.2757 53.2745 41.3614 175.0061 94 P 4.7194 0.0000 0.0000 64.7459 31.2467 178.3276 95 A 4.0235 8.5552 120.3074 55.1076 17.7448 179.7209 96 T 3.9990 8.3021 109.0066 64.8418 68.9252 177.2954 97 G 3.6404 8.0255 108.1817 47.5717 0.0000 175.3659 98 Q 3.9944 8.3162 122.0815 58.6993 29.1670 178.1136 99 K 3.7747 8.2596 120.6336 59.3162 32.1679 178.6831 100 A 4.1833 7.8984 120.7504 55.2511 18.3673 179.5786 101 L 3.9799 7.9190 117.5353 58.0798 41.5139 179.5480 102 D 4.3556 8.3998 119.1824 57.5408 40.7020 178.4712 103 Y 4.3204 7.8219 116.8463 61.1856 37.7980 178.4595 104 I 3.8085 8.2054 120.6783 64.3165 37.1477 178.3528 105 A 4.0717 8.2416 121.7261 55.2205 18.1602 179.7531 106 Q 4.0455 7.9540 116.6753 59.1502 28.7795 178.9737 107 I 3.8079 7.9694 121.0194 64.2839 37.1677 177.8819 108 D 4.3899 8.5646 119.3912 57.1425 40.8213 178.2119 109 K 4.1058 7.9678 119.0466 59.8053 32.5964 178.5039 110 I 3.7265 7.6382 119.5905 64.1214 36.9398 177.9017 111 F 4.0087 8.7172 121.9215 61.4853 39.1727 177.4414 112 W 4.1933 8.3038 118.0465 59.5399 28.8120 178.5233 113 E 4.1302 8.1533 118.7766 59.6055 28.8065 179.1980 114 T 4.0422 7.8243 108.7654 64.4298 68.9177 176.6844 115 K 4.0228 7.4437 120.9418 59.1554 32.1672 179.0451 116 K 4.2135 8.1227 117.1682 58.3092 32.1830 177.5018 117 A 4.3743 7.8185 125.2384 52.2595 18.8099 176.7952 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 H 8.43 4.59 0.00 3.26 3.31 0.00 5.48 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.64 4.11 0.00 3.10 2.90 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 3 D 8.34 4.58 0.00 2.87 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 4 L 8.04 4.07 0.00 1.59 1.73 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.28 2.08 0.00 3.81 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 1.98 1.97 0.00 6 C 8.45 4.27 0.00 3.01 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 7 G 8.23 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.21 4.27 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 0.87 0.00 0.00 0.91 0.00 0.00 9 Y 8.02 4.73 0.00 2.81 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 10 D 7.86 3.64 0.00 2.58 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.07 0.00 2.25 1.87 0.00 2.98 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.01 0.00 12 A 8.66 3.99 1.33 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 0.00 0.00 13 Q 7.97 3.75 0.00 1.81 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 14 A 7.74 4.08 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 15 R 8.11 3.84 0.00 1.90 2.07 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 1.63 1.69 0.00 16 I 7.94 3.70 1.86 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 1.52 1.18 0.91 0.00 0.00 17 E 7.95 4.01 0.00 2.20 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 0.00 2.55 2.56 0.00 18 A 8.23 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.47 3.98 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 2.34 2.64 0.00 20 S 7.95 4.12 0.00 4.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.70 3.56 2.28 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 1.00 0.00 0.00 1.00 0.00 0.00 22 K 8.08 4.16 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.62 7.81 23 A 8.31 4.03 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.16 3.75 2.01 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 1.53 0.78 0.90 0.00 0.00 25 Q 8.09 4.03 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 26 E 8.40 4.02 0.00 2.24 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 2.34 2.52 0.00 27 K 8.15 4.13 0.00 2.17 2.17 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.76 7.81 28 M 8.25 4.41 0.00 2.03 2.32 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 2.85 2.43 0.00 29 A 7.83 4.26 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 30 A 7.56 4.43 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 31 N 7.80 4.66 0.00 2.35 2.41 0.00 0.00 7.04 8.47 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 32 D 8.65 4.75 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 33 D 8.64 4.39 0.00 2.87 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 34 L 8.75 3.93 0.00 1.79 1.67 0.89 1.02 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 35 H 8.33 4.14 0.00 3.49 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.61 4.25 0.00 3.17 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 37 Q 8.45 3.90 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 38 I 7.88 3.64 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.88 0.00 0.00 39 R 7.96 3.82 0.00 1.86 1.91 0.00 3.17 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 40 A 7.95 3.72 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.80 3.72 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 1.17 0.00 0.00 42 V 7.86 3.55 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 1.01 0.00 0.00 0.92 0.00 0.00 43 I 7.92 3.99 1.87 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 1.37 0.94 0.90 0.00 0.00 44 K 8.39 3.90 0.00 1.81 1.96 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.21 3.92 0.00 2.29 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 0.00 2.29 2.38 0.00 46 Q 7.83 3.98 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 47 R 8.24 4.06 0.00 1.83 2.10 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 48 A 8.19 4.01 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 E 8.20 3.87 0.00 2.20 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 2.29 2.38 0.00 50 L 7.97 3.96 0.00 1.95 1.71 0.93 0.67 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 51 A 8.20 4.06 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 52 K 8.29 3.92 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.64 7.81 53 H 8.34 4.15 0.00 3.22 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.29 4.21 0.00 3.36 3.28 0.00 5.67 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 55 L 8.02 4.11 0.00 1.88 1.76 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.57 4.55 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.06 3.74 2.31 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 1.31 0.00 0.00 0.87 0.00 0.00 58 L 8.01 3.95 0.00 2.10 1.74 0.76 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.46 4.62 0.00 3.49 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 60 S 8.72 3.99 0.00 4.03 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 61 D 8.27 4.69 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.53 3.43 0.00 1.43 2.47 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 63 F 7.93 3.93 0.00 2.92 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 0.00 0.00 0.00 64 K 8.11 4.53 0.00 1.41 1.54 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.13 7.81 65 P 0.00 4.45 0.00 2.15 2.17 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 66 P 0.00 4.28 0.00 2.00 2.05 0.00 3.37 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 2.01 2.13 0.00 67 H 8.04 4.30 0.00 2.93 3.07 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.73 4.29 0.00 3.18 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 69 E 7.90 4.21 0.00 2.18 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 2.55 2.53 0.00 70 S 8.31 4.32 0.00 3.98 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 71 Y 8.06 4.59 0.00 3.02 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 72 P 0.00 4.27 0.00 2.07 2.18 0.00 3.68 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 2.04 2.29 0.00 73 E 8.13 4.49 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 2.38 2.33 0.00 74 L 8.41 3.92 0.00 1.75 1.83 0.52 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.38 4.38 0.00 3.26 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.96 3.82 4.40 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 1.18 0.00 0.00 77 L 8.26 3.93 0.00 1.81 1.87 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.92 3.52 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 1.00 0.00 0.00 1.14 0.00 0.00 79 N 8.00 4.02 0.00 2.70 2.74 0.00 0.00 7.22 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 80 E 8.30 3.73 0.00 1.37 1.17 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 2.17 2.39 0.00 81 A 7.52 3.84 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 82 V 7.82 3.61 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 0.79 0.00 0.00 0.87 0.00 0.00 83 K 8.14 4.00 0.00 1.92 1.81 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 84 A 8.14 4.09 1.58 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 85 L 7.80 4.03 0.00 1.92 1.73 0.96 0.68 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 86 S 8.07 4.11 0.00 4.06 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 87 A 7.94 3.99 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 88 A 7.96 4.18 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 89 K 7.80 3.95 0.00 1.98 2.01 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.63 7.81 90 A 7.35 4.50 1.26 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 0.00 0.00 91 S 7.27 4.63 0.00 3.80 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 92 T 8.32 4.35 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 1.20 0.00 0.00 93 D 8.25 4.51 0.00 2.70 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 94 P 0.00 4.72 0.00 2.20 2.11 0.00 3.94 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 2.13 2.06 0.00 95 A 8.56 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.30 4.00 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 1.22 0.00 0.00 97 G 8.03 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.32 3.99 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.26 3.77 0.00 1.94 1.94 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.28 7.81 100 A 7.90 4.18 1.43 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 0.00 0.00 0.00 101 L 7.92 3.98 0.00 1.90 1.74 0.93 1.13 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 0.00 102 D 8.40 4.36 0.00 2.59 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 0.00 103 Y 7.82 4.32 0.00 3.24 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 0.00 104 I 8.21 3.81 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.99 0.94 0.00 0.00 105 A 8.24 4.07 1.43 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 0.00 0.00 0.00 106 Q 7.95 4.05 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 107 I 7.97 3.81 2.10 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 0.77 1.07 0.00 0.00 108 D 8.56 4.39 0.00 2.87 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.97 4.11 0.00 2.00 2.09 0.00 1.93 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.59 7.81 110 I 7.64 3.73 1.87 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 1.14 0.78 -0.04 0.00 0.00 111 F 8.72 4.01 0.00 2.98 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.30 4.19 0.00 3.56 3.27 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 0.00 113 E 8.15 4.13 0.00 2.30 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 2.53 2.76 0.00 114 T 7.82 4.04 4.05 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 1.24 0.00 0.00 115 K 7.44 4.02 0.00 1.91 1.90 0.00 1.48 0.00 0.00 0.94 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.35 0.21 7.81 116 K 8.12 4.21 0.00 1.82 1.92 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.83 7.81 117 A 7.82 4.37 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