NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3842 8.3044 120.3204 55.8345 33.8640 174.9576 2 H 4.7047 8.4152 118.2989 54.4387 29.3461 171.7736 3 L 4.7491 7.9455 121.3382 53.2646 45.0643 177.4301 4 T 4.0522 8.1086 119.9009 62.6212 70.3539 174.1909 5 P 4.0288 0.0000 0.0000 66.1452 31.5133 178.8749 6 E 4.0601 8.0645 116.6037 59.3785 29.4063 179.0634 7 E 4.0092 7.8840 118.2094 58.9397 29.6903 179.2631 8 K 3.8722 8.7961 120.1015 59.4738 32.1854 179.5743 9 S 4.1319 8.5149 114.6583 61.3394 62.7034 176.4292 10 A 4.0006 7.9067 124.0309 54.7903 18.1295 179.5902 11 V 3.4130 7.6884 116.7458 66.4086 31.1144 177.9807 12 T 3.9375 7.9419 115.1008 67.0544 68.1985 176.3230 13 A 4.1192 7.9012 120.7420 55.0163 18.6867 179.0650 14 L 3.9775 7.9662 119.0397 57.6955 42.2150 178.7780 15 W 4.4642 8.6963 128.6979 60.4316 30.3608 178.0565 16 G 3.8041 7.8337 103.9492 47.3124 0.0000 174.2190 17 K 4.4104 7.6920 117.6946 56.1245 32.3835 176.5413 18 V 3.7833 7.2106 120.0091 61.7928 32.2920 175.7646 19 N 4.5331 8.1958 125.2683 52.3161 39.1302 175.6163 20 V 3.5409 8.0777 128.6884 65.7411 31.6998 177.3563 21 D 4.3087 8.0610 118.3740 57.4115 40.8157 178.4164 22 E 3.8962 8.3239 118.8237 59.5358 29.5898 179.7206 23 V 3.5807 7.8452 118.4601 65.7761 31.6393 178.3539 24 G 3.6934 8.4557 106.2443 47.5320 0.0000 176.1039 25 G 3.5728 7.9110 107.7092 47.6046 0.0000 175.5505 26 E 3.9513 8.2521 121.8269 58.6076 29.6061 178.7811 27 A 3.9198 8.0059 120.9206 55.1891 18.5274 179.4523 28 L 3.9986 7.8879 118.5530 58.0573 42.2719 179.2799 29 G 3.5153 7.9852 105.4172 47.8147 0.0000 175.9201 30 R 3.8916 8.0125 120.7723 58.6589 30.0720 178.6220 31 L 3.9861 7.9957 120.1375 58.5277 41.6924 179.2639 32 L 4.0954 7.8894 117.9475 56.7182 41.2176 179.1967 33 V 3.8249 7.0574 116.9696 64.9909 32.1445 177.7036 34 V 3.4404 7.9306 117.0147 64.5165 32.8615 175.8451 35 Y 3.6769 6.8411 115.3278 54.2236 37.7362 174.1282 36 P 4.4708 0.0000 0.0000 65.0683 31.3460 178.2378 37 W 4.4342 8.0454 115.3409 58.7720 28.1104 177.4374 38 T 4.3949 7.9442 110.6223 63.2815 68.5202 175.9739 39 Q 4.4044 8.1171 121.4791 57.8990 28.5351 177.8677 40 R 3.8250 7.4256 116.8444 58.4644 29.2506 177.7873 41 F 4.3207 7.1422 116.8693 57.2266 40.7661 175.7605 42 F 4.6375 7.3682 117.5961 56.5109 38.6763 176.7568 43 E 4.1646 7.9496 122.6467 59.2620 30.0748 179.7166 44 S 4.4692 8.0495 111.1557 59.9754 63.3598 175.0219 45 F 4.4873 7.9471 119.0591 58.7519 39.8135 175.3978 46 G 4.0200 7.3662 104.6585 44.2587 0.0000 174.3431 47 D 4.6078 8.7673 125.7456 53.9529 40.0789 176.0045 48 L 4.9265 8.2817 127.1998 54.6883 43.0638 178.9544 49 S 4.3730 8.2626 117.2592 60.9580 63.1689 175.1694 50 T 4.7346 7.3378 109.7879 58.1511 72.9425 172.6426 51 P 4.1799 0.0000 0.0000 66.2283 31.3994 178.2880 52 D 4.3499 8.1800 116.3872 57.7001 40.6103 178.9756 53 A 4.0964 8.1183 119.3704 54.3350 18.4517 179.6468 54 V 3.7631 7.7964 117.3627 66.4081 31.6299 178.2307 55 M 4.1895 8.6135 117.3719 57.9911 31.7865 178.4606 56 G 3.9086 7.9624 104.8578 45.3337 0.0000 173.5246 57 N 4.3825 7.5530 120.8432 52.8822 39.3185 173.7895 58 P 4.2146 0.0000 0.0000 65.8365 31.3720 178.6234 59 K 3.6940 8.1257 118.4501 58.7722 31.7222 179.5975 60 V 3.7459 7.7262 118.1906 66.0613 31.5373 178.0402 61 K 3.9018 8.1969 118.1786 59.5148 32.0458 179.1423 62 A 4.1487 8.0815 120.7776 54.9306 18.3150 179.1089 63 H 4.5151 8.2635 117.2914 59.1049 29.9493 177.6363 64 G 3.9294 8.2336 109.2121 47.1058 0.0000 175.4639 65 K 4.1216 7.8108 120.1351 58.4121 32.1746 179.0373 66 K 3.9944 7.5439 119.2585 59.3151 32.1922 178.8583 67 V 3.5920 7.8718 118.5616 66.2691 31.5816 178.1400 68 L 4.3456 8.1654 118.5000 57.5795 41.4988 179.2103 69 G 3.7194 8.0726 106.3707 47.7187 0.0000 175.2409 70 A 4.1577 8.1855 123.9853 54.5471 18.9212 179.2894 71 F 4.3137 8.5327 118.8771 61.5815 39.5815 176.9770 72 S 4.2456 8.9448 113.1614 62.0260 62.1835 176.1089 73 D 4.5323 8.2782 120.9648 57.2364 40.5357 178.9769 74 G 3.5307 7.9375 105.7068 47.1703 0.0000 174.9996 75 L 3.9968 7.2427 118.3756 55.6901 41.7274 177.7210 76 A 4.5512 7.6782 119.8990 51.9688 20.1045 176.3442 77 H 4.8097 7.9719 115.4621 54.8594 29.9147 175.1584 78 L 4.0612 8.0905 121.7637 57.2924 42.0766 176.6308 79 D 4.7336 7.6313 115.9034 54.4911 42.0509 176.3843 80 N 4.7968 8.1048 116.0342 51.8373 40.7773 175.1844 81 L 3.9865 7.6683 122.4970 57.5562 41.8175 178.8243 82 K 3.9281 8.2210 119.4271 59.9952 31.8068 178.8839 83 G 3.6044 7.9480 104.1367 47.8920 0.0000 175.4448 84 T 3.7705 7.3748 116.9048 65.6595 68.6294 175.8228 85 F 4.8152 8.1311 117.4445 57.0149 39.2784 177.2835 86 A 4.0546 7.6027 122.5042 55.9614 18.2460 180.5398 87 T 3.8645 7.8657 113.4310 66.7081 68.6022 176.6223 88 L 4.1172 7.9545 121.8671 57.9616 42.1347 178.8044 89 S 4.4373 8.5318 115.1116 60.9688 62.3148 176.0296 90 E 3.9250 8.3503 121.3696 59.0093 29.0825 178.9532 91 L 3.9093 7.8542 120.2841 58.7327 42.1734 178.8914 92 H 4.1170 8.3771 115.9518 59.1493 28.3603 176.9705 93 C 3.6033 7.6710 120.5064 62.1422 31.1528 175.2885 94 D 4.4541 8.4293 121.5407 55.9582 40.6124 177.2428 95 K 4.3351 7.6650 116.0667 57.8690 33.9409 177.4469 96 L 4.1012 7.9181 116.6581 55.4165 42.0808 176.5537 97 H 4.2073 7.2057 113.2427 56.6219 26.6882 174.9320 98 V 3.9818 7.8498 118.0314 61.2201 32.7423 174.8108 99 D 4.4026 8.6833 126.7656 53.8172 41.8753 176.7143 100 A 3.4003 8.2028 127.9032 54.6296 18.2184 179.1886 101 E 3.8634 8.2366 117.9242 59.1875 29.5289 178.5973 102 N 4.2766 8.1536 117.1259 56.0844 38.3311 177.1991 103 F 4.4765 7.2925 119.4034 60.6171 38.9761 177.8862 104 R 4.0162 7.8903 117.2986 58.9100 30.0254 178.7289 105 L 3.7543 7.6574 118.7824 57.6150 41.5340 179.0831 106 L 4.0050 8.0842 120.4040 58.2563 41.9421 178.9972 107 G 3.9041 7.8416 105.1927 48.2668 0.0000 175.2540 108 N 4.4113 8.0430 118.6217 55.7556 38.4249 177.7255 109 V 3.5790 7.7499 119.6910 65.8942 31.6301 177.5646 110 L 3.8418 8.6715 121.2567 58.4382 41.8719 179.1214 111 V 3.5908 7.9936 117.9174 66.3231 31.4259 177.8083 112 C 4.1901 8.0102 116.3950 62.5269 27.9288 176.2716 113 V 3.5568 7.9316 120.2042 66.0391 31.1807 178.0937 114 L 3.8623 8.0454 118.8970 57.5971 41.3029 179.4608 115 A 3.7425 7.4878 120.6642 55.0780 18.0857 178.8570 116 H 4.0521 7.8627 115.7436 59.9435 29.9516 176.8773 117 H 3.9061 7.8743 115.9683 58.6721 28.8781 177.3266 118 F 4.6460 8.2813 117.4946 55.9787 39.5090 178.3246 119 G 3.9485 8.8266 108.7343 45.5539 0.0000 175.2633 120 K 3.8983 9.2947 122.1597 59.7758 31.9022 177.3033 121 E 4.0396 8.4161 119.3045 58.2501 29.8823 177.1236 122 F 4.5431 8.0662 122.8928 56.9416 37.7748 175.5687 123 T 4.1711 7.3237 115.1576 60.1138 71.3941 173.4996 124 P 4.3166 0.0000 0.0000 65.7441 31.2540 177.1390 125 P 4.2049 0.0000 0.0000 65.4551 31.3692 178.9167 126 V 3.5699 7.3257 117.3168 65.7898 31.3905 177.8551 127 Q 3.6048 8.5105 120.2449 58.9248 28.5331 177.8967 128 A 3.9717 8.5630 121.8988 55.4646 18.3162 179.5685 129 A 3.9113 7.7842 119.1141 55.4497 18.4171 179.5138 130 Y 3.8855 8.0953 114.9367 61.0680 37.9264 178.3883 131 Q 4.2039 8.5283 119.3972 58.9712 28.8160 178.9779 132 K 4.0380 7.8631 119.3213 59.1761 32.0315 179.7411 133 V 3.5139 7.5198 118.3284 65.9883 31.4266 178.4867 134 V 3.8039 8.4812 112.3208 64.3608 31.3225 178.3161 135 A 4.1015 8.0983 120.5425 55.2844 18.2922 179.8564 136 G 3.5550 8.0898 104.1286 47.9207 0.0000 176.0319 137 V 3.3918 8.2978 120.7418 65.6287 31.5653 177.8517 138 A 3.9475 8.2305 120.8422 55.2938 18.2494 179.4042 139 N 4.2500 8.4443 114.8275 56.4632 38.4377 177.5545 140 A 4.0547 8.1774 121.2500 55.2193 18.3681 179.4339 141 L 3.8285 8.2590 117.6118 57.2414 41.5172 178.8871 142 A 4.3744 7.9126 119.5143 53.0977 18.7942 178.3939 143 H 4.0640 7.7807 117.0630 59.1644 29.8780 175.8113 144 K 4.4535 8.2147 115.4977 56.2143 32.0322 176.2176 145 Y 4.1088 8.1649 118.0185 58.3364 38.3973 175.6983 146 H 4.4667 8.2829 117.8997 56.0957 28.4036 173.2005 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 4.38 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 2 H 8.42 4.70 0.00 3.13 3.20 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.95 4.75 0.00 1.57 1.46 0.80 0.92 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 4 T 8.11 4.05 4.18 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 1.25 0.00 0.00 5 P 0.00 4.03 0.00 2.12 2.09 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 6 E 8.06 4.06 0.00 2.02 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 2.38 2.44 0.00 7 E 7.88 4.01 0.00 2.18 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 2.35 2.35 0.00 8 K 8.80 3.87 0.00 1.82 1.79 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.44 7.81 9 S 8.51 4.13 0.00 3.98 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.91 4.00 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 11 V 7.69 3.41 1.98 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 0.48 0.00 0.00 0.54 0.00 0.00 12 T 7.94 3.94 4.53 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 1.29 0.00 0.00 13 A 7.90 4.12 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 14 L 7.97 3.98 0.00 1.82 2.07 0.46 0.16 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 15 W 8.70 4.46 0.00 3.76 3.37 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 16 G 7.83 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 17 K 7.69 4.41 0.00 2.12 2.08 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.38 7.81 18 V 7.21 3.78 1.19 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 -0.17 0.00 0.00 0.76 0.00 0.00 19 N 8.20 4.53 0.00 2.69 2.58 0.00 0.00 6.85 7.71 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 20 V 8.08 3.54 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 1.20 0.00 0.00 0.89 0.00 0.00 21 D 8.06 4.31 0.00 3.02 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.32 3.90 0.00 1.95 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 2.29 2.40 0.00 23 V 7.85 3.58 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 0.88 0.00 0.00 0.61 0.00 0.00 24 G 8.46 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 25 G 7.91 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.25 3.95 0.00 2.18 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 2.29 2.31 0.00 27 A 8.01 3.92 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 28 L 7.89 4.00 0.00 1.74 1.63 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.99 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 0.00 0.00 0.00 0.00 30 R 8.01 3.89 0.00 1.93 1.95 0.00 3.11 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 31 L 8.00 3.99 0.00 1.90 1.91 0.97 0.61 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 32 L 7.89 4.10 0.00 1.86 1.70 0.76 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.06 3.82 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 0.74 0.00 0.00 0.91 0.00 0.00 34 V 7.93 3.44 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 0.17 0.00 0.00 0.79 0.00 0.00 35 Y 6.84 3.68 0.00 2.61 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 36 P 0.00 4.47 0.00 2.36 2.36 0.00 3.69 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 2.31 1.97 0.00 37 W 8.05 4.43 0.00 3.57 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 4.39 4.47 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 1.10 0.00 0.00 39 Q 8.12 4.40 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 40 R 7.43 3.82 0.00 1.56 1.91 0.00 2.93 0.00 0.00 2.53 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.14 4.32 0.00 1.51 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 0.00 0.00 0.00 42 F 7.37 4.64 0.00 2.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 4.16 0.00 2.01 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 2.33 2.21 0.00 44 S 8.05 4.47 0.00 4.10 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 45 F 7.95 4.49 0.00 3.26 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 46 G 7.37 4.02 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 0.00 0.00 0.00 47 D 8.77 4.61 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.28 4.93 0.00 1.73 1.61 1.06 1.02 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 49 S 8.26 4.37 0.00 3.92 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 50 T 7.34 4.73 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 1.21 0.00 0.00 51 P 0.00 4.18 0.00 2.15 2.14 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 52 D 8.18 4.35 0.00 2.67 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 53 A 8.12 4.10 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 54 V 7.80 3.76 2.23 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 1.07 0.00 0.00 0.96 0.00 0.00 55 M 8.61 4.19 0.00 1.96 2.10 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 2.94 0.00 56 G 7.96 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 0.00 0.00 0.00 57 N 7.55 4.38 0.00 2.88 2.92 0.00 0.00 6.80 8.70 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 58 P 0.00 4.21 0.00 2.24 2.25 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 K 8.13 3.69 0.00 1.65 0.74 0.00 1.61 0.00 0.00 1.26 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.87 1.16 7.81 60 V 7.73 3.75 2.33 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 1.06 0.00 0.00 1.15 0.00 0.00 61 K 8.20 3.90 0.00 1.84 1.82 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.48 7.81 62 A 8.08 4.15 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 63 H 8.26 4.52 0.00 3.57 3.47 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.23 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 0.00 0.00 0.00 65 K 7.81 4.12 0.00 1.89 1.82 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 66 K 7.54 3.99 0.00 1.99 1.98 0.00 1.76 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.50 7.81 67 V 7.87 3.59 2.12 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 1.01 0.00 0.00 0.89 0.00 0.00 68 L 8.17 4.35 0.00 1.98 1.85 1.14 0.81 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 69 G 8.07 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 70 A 8.19 4.16 1.53 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 0.00 0.00 71 F 8.53 4.31 0.00 3.19 3.29 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 72 S 8.94 4.25 0.00 4.56 4.22 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 73 D 8.28 4.53 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.94 3.53 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 0.00 0.00 0.00 75 L 7.24 4.00 0.00 1.56 1.44 -0.36 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.68 4.55 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 77 H 7.97 4.81 0.00 3.03 3.14 0.00 5.83 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.09 4.06 0.00 1.47 1.60 0.72 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.63 4.73 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.10 4.80 0.00 2.66 2.60 0.00 0.00 7.19 6.62 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 81 L 7.67 3.99 0.00 1.77 1.89 0.89 0.91 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 82 K 8.22 3.93 0.00 1.81 1.77 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.21 1.45 7.81 83 G 7.95 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 84 T 7.37 3.77 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 0.36 0.00 0.00 85 F 8.13 4.82 0.00 3.07 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 86 A 7.60 4.05 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 87 T 7.87 3.86 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 88 L 7.95 4.12 0.00 1.91 1.83 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.53 4.44 0.00 4.12 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 90 E 8.35 3.92 0.00 2.06 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 2.33 2.49 0.00 91 L 7.85 3.91 0.00 1.92 1.94 0.92 1.05 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 92 H 8.38 4.12 0.00 3.64 3.79 0.00 5.86 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 93 C 7.67 3.60 0.00 1.57 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 94 D 8.43 4.45 0.00 2.74 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 95 K 7.66 4.34 0.00 1.83 1.77 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.46 7.81 96 L 7.92 4.10 0.00 1.71 1.65 0.70 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.21 4.21 0.00 3.44 3.41 0.00 5.64 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.85 3.98 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 0.11 0.00 0.00 0.66 0.00 0.00 99 D 8.68 4.40 0.00 2.82 2.61 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 0.00 100 A 8.20 3.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.24 3.86 0.00 2.05 1.92 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 2.31 2.37 0.00 102 N 8.15 4.28 0.00 2.40 2.61 0.00 0.00 6.86 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 0.00 103 F 7.29 4.48 0.00 3.13 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 0.00 104 R 7.89 4.02 0.00 2.01 1.95 0.00 3.28 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 105 L 7.66 3.75 0.00 1.75 1.40 0.55 -0.05 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 0.00 106 L 8.08 4.01 0.00 1.78 1.73 0.91 1.15 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 0.00 107 G 7.84 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 0.00 108 N 8.04 4.41 0.00 2.93 2.95 0.00 0.00 6.72 8.01 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 0.00 109 V 7.75 3.58 2.24 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 1.15 0.00 0.00 1.14 0.00 0.00 110 L 8.67 3.84 0.00 1.65 1.86 0.86 0.21 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 0.00 111 V 7.99 3.59 2.33 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 1.27 0.00 0.00 1.17 0.00 0.00 112 C 8.01 4.19 0.00 3.25 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 0.00 113 V 7.93 3.56 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 0.98 0.00 0.00 0.93 0.00 0.00 114 L 8.05 3.86 0.00 0.93 1.06 0.59 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.49 3.74 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 0.00 116 H 7.86 4.05 0.00 3.23 3.55 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.87 3.91 0.00 2.77 2.56 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.28 4.65 0.00 3.33 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 0.00 119 G 8.83 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 0.00 120 K 9.29 3.90 0.00 1.92 2.05 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.54 7.81 121 E 8.42 4.04 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 122 F 8.07 4.54 0.00 3.11 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 0.00 123 T 7.32 4.17 4.20 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 1.31 0.00 0.00 124 P 0.00 4.32 0.00 2.14 2.15 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 125 P 0.00 4.20 0.00 2.11 2.06 0.00 3.44 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.33 3.57 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 0.95 0.00 0.00 0.90 0.00 0.00 127 Q 8.51 3.60 0.00 1.50 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 128 A 8.56 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 0.00 129 A 7.78 3.91 1.21 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 0.00 0.00 0.00 0.00 0.00 130 Y 8.10 3.89 0.00 3.30 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 0.00 131 Q 8.53 4.20 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.75 2.61 0.00 132 K 7.86 4.04 0.00 1.93 1.83 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.46 1.63 7.81 133 V 7.52 3.51 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 0.76 0.00 0.00 0.76 0.00 0.00 134 V 8.48 3.80 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.11 0.00 0.00 135 A 8.10 4.10 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 0.00 136 G 8.09 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.30 3.39 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 0.54 0.00 0.00 0.74 0.00 0.00 138 A 8.23 3.95 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 0.00 139 N 8.44 4.25 0.00 2.97 2.88 0.00 0.00 6.92 8.94 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 0.00 140 A 8.18 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.26 3.83 0.00 1.29 0.38 0.02 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.91 4.37 1.32 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 0.00 0.00 0.00 143 H 7.78 4.06 0.00 3.32 3.61 0.00 5.76 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.21 4.45 0.00 1.82 1.81 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.75 7.81 145 Y 8.16 4.11 0.00 3.15 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 0.00 146 H 8.28 4.47 0.00 3.22 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00