NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4794 8.1776 115.2904 57.9148 63.3951 174.3400 3 V 3.3872 8.3057 129.2771 64.6048 31.3249 176.6672 4 Y 3.9126 8.6400 118.2569 60.8775 38.0108 178.9606 5 D 4.4174 7.8878 118.9832 57.1454 41.3455 178.3136 6 A 4.0792 8.1659 121.2421 55.0581 18.3423 179.5754 7 A 3.8787 8.0681 119.0997 54.9894 18.2020 179.4877 8 A 4.0967 7.5994 117.7087 54.6067 18.4971 179.1860 9 Q 4.2133 7.6271 115.2138 57.0005 30.0146 177.0952 10 L 4.2182 7.3751 121.5153 53.8169 40.1754 176.9495 11 T 4.2615 7.6003 114.6053 60.3119 71.8419 175.1090 12 A 3.9617 8.4147 121.6479 55.6398 18.2506 179.4721 13 D 4.2939 7.9860 116.8020 57.3705 40.8842 179.0763 14 V 3.5065 7.4802 118.2769 65.9239 31.4849 178.2113 15 K 3.8254 8.5931 118.6021 59.2326 31.7846 179.2678 16 K 3.9672 8.0536 119.8831 59.7183 32.2082 178.6662 17 D 4.6465 8.0958 119.1469 57.3696 40.6846 178.9032 18 L 3.7670 8.1233 119.7108 57.7221 41.7100 179.7717 19 R 4.1024 8.2969 118.2428 59.3803 29.8258 178.7584 20 D 4.5184 8.7285 118.0464 57.6288 41.1297 178.8907 21 S 3.1306 8.2882 114.6097 60.7046 63.0569 176.2536 22 W 4.4868 8.7369 131.9650 60.0081 30.1937 177.6495 23 K 3.8467 7.8540 118.9302 59.1340 31.7649 178.2857 24 V 3.8093 7.3276 117.4382 64.9658 31.7542 177.5144 25 W 4.1669 7.9602 127.6346 60.2318 30.5456 176.8409 26 G 2.0000 7.0144 104.7484 44.8917 0.0000 174.5499 27 S 4.0349 7.2032 115.0503 59.9261 63.8088 174.1309 28 D 4.6623 7.1788 120.3027 51.0634 41.0664 175.4434 29 K 3.6280 7.9017 123.1571 58.6240 32.3873 178.1963 30 K 3.9607 7.9014 119.4575 59.3516 32.4255 178.7469 31 G 4.0143 8.0403 106.5696 47.6152 0.0000 175.1727 32 N 4.5680 8.5395 120.1161 55.2346 38.4972 178.0220 33 G 3.4005 7.9964 107.4752 47.7925 0.0000 176.0281 34 V 3.5768 7.7606 121.0335 65.4598 31.5172 177.9395 35 A 4.1225 7.8410 121.5492 54.4008 18.1961 179.3781 36 L 3.8925 8.0383 118.9043 58.5265 42.1114 179.2149 37 M 3.4718 7.8300 118.8350 58.3733 31.7572 178.8419 38 T 3.9264 8.0688 110.3011 65.1199 68.7075 176.6724 39 T 3.8244 7.8138 118.5405 66.1159 68.4844 176.3360 40 L 3.8122 7.5675 122.2057 58.2827 41.8391 179.1534 41 F 4.4670 7.4562 116.1167 60.5687 38.9027 177.2629 42 A 4.1855 8.2908 119.8213 54.8022 18.3411 178.5849 43 D 4.7311 8.1619 114.4970 54.4016 42.9483 176.6835 44 N 5.1174 8.2641 116.9096 51.4281 39.7833 175.1890 45 Q 4.1203 8.1860 119.7501 59.0833 29.4854 179.2001 46 E 4.2305 8.2614 112.9896 57.5188 29.7260 177.5979 47 T 4.5947 8.1809 110.6540 62.5058 69.6638 176.4153 48 I 3.8420 7.9022 123.8138 64.5274 36.9298 178.0693 49 G 3.6277 8.1143 106.0478 48.2242 0.0000 175.0462 50 Y 4.3397 7.4444 117.7266 60.0784 37.9825 176.8056 51 F 4.7530 8.2412 118.3465 57.0396 39.6316 177.5620 52 K 3.8243 7.8394 125.9132 59.6890 32.0369 178.7606 53 R 3.9428 8.0679 117.5553 59.3022 29.9850 177.0302 54 L 4.2548 7.9333 115.6461 55.2438 42.7855 178.4531 55 G 3.8820 7.6416 107.3289 46.2408 0.0000 176.6554 56 D 4.5439 8.3562 124.7756 52.4733 39.9308 176.9042 57 V 3.7897 7.8369 119.7318 62.9011 31.8088 178.7054 58 S 4.2737 7.7517 114.1736 60.7067 63.2624 175.6067 59 Q 4.1179 8.1306 119.8835 56.5485 29.8223 177.5042 60 G 3.8086 7.6902 107.2493 46.3095 0.0000 176.8680 61 M 3.8868 9.0083 122.9093 58.1710 31.8973 176.8301 62 A 4.0326 7.7091 119.5612 53.5718 18.8824 177.1916 63 N 4.6493 8.2574 115.7273 52.3887 39.4297 174.9864 64 D 4.3733 8.6378 129.1099 57.6019 41.0739 179.0018 65 K 4.0331 8.1111 118.4028 59.2243 32.1078 179.0922 66 L 4.0768 8.6167 121.1609 58.0134 41.9765 178.9643 67 R 4.0330 8.4416 119.2204 59.3686 30.1307 178.7905 68 G 3.6061 8.3758 105.7398 47.9567 0.0000 175.2057 69 H 4.2201 8.4586 120.6907 59.1994 29.8630 177.5958 70 S 4.0655 8.6435 117.3274 61.5844 62.4226 176.8007 71 I 3.6748 7.7262 121.4634 64.7958 37.2389 178.3438 72 T 4.1710 7.9017 116.3558 66.5000 68.1932 176.4436 73 L 3.8086 7.9114 122.3551 58.4033 42.0900 179.0149 74 M 3.9904 7.7716 118.0522 58.1287 31.7821 178.0277 75 Y 4.0255 7.7291 115.9534 59.9990 38.0800 177.7621 76 A 3.6765 7.6109 122.4357 54.8511 18.2485 179.6504 77 L 3.6379 7.3325 117.0236 57.6443 41.6264 179.2370 78 Q 3.6165 7.8794 119.6107 58.9399 28.7484 177.7851 79 N 4.2753 7.8520 116.9544 56.8180 39.2756 176.2817 80 F 4.6734 7.7704 118.9083 60.9744 39.1158 177.6479 81 I 3.5441 7.8022 119.3807 64.5832 36.7080 177.8913 82 D 4.6295 8.1923 117.1203 55.8548 40.9250 177.4694 83 Q 4.5251 7.9488 118.2234 55.6949 29.0498 177.0843 84 L 4.0097 7.5916 120.8361 57.8375 41.6298 178.2342 85 D 4.3479 8.0794 117.8249 56.0537 41.2487 175.9133 86 N 4.8289 7.9110 117.5682 50.8649 40.5066 172.7493 87 P 4.2296 0.0000 0.0000 65.9240 31.5177 178.2089 88 D 4.4971 8.2227 116.9322 57.6781 40.9251 178.5704 89 D 4.3867 8.6500 119.4159 57.0183 40.7493 178.5098 90 L 3.9706 8.0931 121.0303 58.2185 42.0288 179.2303 91 V 3.3789 8.0236 118.7279 66.0483 31.3148 177.7713 92 C 4.1169 8.1454 114.2474 61.3047 29.4389 176.2268 93 V 3.6678 7.8188 114.5140 63.7405 31.1439 178.6621 94 V 3.8499 8.0971 118.4008 66.1491 31.3803 177.9232 95 E 3.8984 8.4102 118.5756 59.1004 29.1170 179.2163 96 K 3.8000 7.6612 119.3380 59.7222 32.3875 178.9870 97 F 4.7432 8.2772 118.8899 59.7501 38.7465 177.6305 98 A 3.9787 8.3381 121.1072 55.0507 18.1229 179.7901 99 V 3.5155 7.9235 116.7484 66.2471 31.1282 177.8724 100 N 4.3354 7.9169 116.3252 56.8412 38.3311 176.9184 101 H 4.0686 8.2308 116.8164 58.2692 28.8625 177.8972 102 I 3.7293 7.9628 122.4672 64.3990 36.6747 178.4477 103 T 3.8927 7.8048 109.8908 64.2917 68.5833 175.7838 104 R 4.2434 7.0951 118.0546 54.9375 30.4092 176.1892 105 K 3.7871 7.8400 117.1967 57.4772 29.9718 175.5424 106 I 4.0071 7.7016 120.4219 59.9668 37.8954 177.1333 107 S 4.5359 8.3800 120.7925 57.1915 65.6727 174.8722 108 A 3.9812 8.4446 122.7904 55.2265 17.8139 179.6473 109 A 3.9846 7.9055 117.7529 55.5356 18.9246 179.3269 110 E 4.1726 8.3499 117.1310 59.3062 29.6430 179.2660 111 F 4.2325 8.8030 121.4641 61.1049 39.4693 177.1431 112 G 3.8821 8.3889 104.7046 46.6718 0.0000 175.0717 113 K 4.2481 7.8013 119.6695 58.1429 32.3055 178.2179 114 I 3.8364 7.6194 119.3788 63.2681 37.7724 177.2133 115 N 4.4340 8.2033 118.0654 56.2015 38.3702 177.2506 116 G 3.6256 8.0360 106.4392 47.5565 0.0000 173.7388 117 P 4.2456 0.0000 0.0000 65.0265 31.3369 178.8464 118 I 3.3975 7.8512 118.6802 64.1131 37.0372 178.3272 119 K 3.8327 8.2117 120.8006 59.2130 32.0929 178.7402 120 K 3.8617 7.9900 119.7464 59.7459 32.0072 179.3154 121 V 3.5838 7.6140 111.4470 64.2868 31.5976 178.3550 122 L 3.7616 7.6821 118.5892 57.5234 41.3962 179.2826 123 A 4.1003 8.0397 121.0114 55.0898 18.0878 179.4840 124 S 4.2932 7.7722 110.7831 60.0937 63.1900 175.6548 125 K 4.4513 7.7937 121.0817 55.5394 32.4153 175.2181 126 N 4.1174 8.0632 116.3563 54.7341 37.3631 174.3572 127 F 4.4024 8.0544 115.6499 54.6441 40.2808 176.3132 128 G 3.9842 8.4505 114.4827 44.0462 0.0000 170.7587 129 D 4.4522 8.8932 118.6489 57.6450 40.5359 178.9591 130 K 3.7510 8.0874 119.3013 59.9699 32.1487 178.2794 131 Y 4.1725 8.2306 116.5541 60.7882 37.8751 177.9074 132 A 4.1300 8.0987 121.4445 55.2568 18.6807 179.0106 133 N 4.2975 8.8827 115.7078 56.5928 38.8418 177.0337 134 A 3.9202 7.7603 122.3595 55.1149 18.4755 179.7759 135 W 3.9549 8.4727 117.1122 59.6122 28.9678 178.6899 136 A 4.1071 8.2388 121.1244 55.0616 17.5686 179.8107 137 K 3.9026 7.6735 115.8770 59.3218 32.3421 179.1225 138 L 3.9357 7.5906 120.7864 58.1205 42.0626 179.0814 139 V 3.7902 8.2785 118.2951 66.0915 31.3980 177.8053 140 A 4.7870 8.2017 121.8256 54.3190 17.8794 179.8222 141 V 3.4191 7.4614 116.6661 65.9953 31.8612 178.1065 142 V 3.5060 7.4786 117.5539 65.9643 31.4132 177.7422 143 Q 3.8528 8.1289 117.6097 58.9691 28.3465 178.8049 144 A 4.0389 7.8780 120.2061 54.1037 18.4611 178.4408 145 A 4.3472 7.5504 117.2446 52.3173 19.6143 177.0698 146 L 4.0851 7.3762 121.8716 54.7831 41.7939 176.6774 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 2 S 8.18 4.48 0.00 3.90 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 3 V 8.31 3.39 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 0.38 0.00 0.00 0.71 0.00 0.00 4 Y 8.64 3.91 0.00 3.04 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 5 D 7.89 4.42 0.00 2.61 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 6 A 8.17 4.08 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 7 A 8.07 3.88 1.31 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 0.00 0.00 8 A 7.60 4.10 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 9 Q 7.63 4.21 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.28 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 10 L 7.38 4.22 0.00 1.67 1.53 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.60 4.26 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 1.19 0.00 0.00 12 A 8.41 3.96 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 D 7.99 4.29 0.00 2.67 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 14 V 7.48 3.51 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 0.99 0.00 0.00 0.91 0.00 0.00 15 K 8.59 3.83 0.00 1.89 1.81 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.74 7.81 16 K 8.05 3.97 0.00 1.98 1.98 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.54 7.81 17 D 8.10 4.65 0.00 2.86 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 18 L 8.12 3.77 0.00 1.63 1.20 0.55 -0.37 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 19 R 8.30 4.10 0.00 2.06 2.08 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 20 D 8.73 4.52 0.00 2.96 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 21 S 8.29 3.13 0.00 3.64 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 22 W 8.74 4.49 0.00 4.00 3.47 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 23 K 7.85 3.85 0.00 2.02 1.93 0.00 1.86 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.64 7.81 24 V 7.33 3.81 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 1.04 0.00 0.00 1.06 0.00 0.00 25 W 7.96 4.17 0.00 2.95 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 26 G 7.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.20 4.03 0.00 3.88 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 28 D 7.18 4.66 0.00 2.61 2.41 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 29 K 7.90 3.63 0.00 1.62 1.55 0.00 0.84 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.04 1.21 7.81 30 K 7.90 3.96 0.00 1.79 1.75 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.49 7.81 31 G 8.04 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 0.00 0.00 0.00 32 N 8.54 4.57 0.00 2.53 2.82 0.00 0.00 7.00 7.21 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 33 G 8.00 3.40 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 0.00 34 V 7.76 3.58 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 1.09 0.00 0.00 0.95 0.00 0.00 35 A 7.84 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 36 L 8.04 3.89 0.00 1.99 1.82 1.00 0.90 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 37 M 7.83 3.47 0.00 1.65 2.05 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.72 0.00 38 T 8.07 3.93 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 1.32 0.00 0.00 39 T 7.81 3.82 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 1.19 0.00 0.00 40 L 7.57 3.81 0.00 1.50 1.26 0.95 0.68 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 41 F 7.46 4.47 0.00 3.14 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 42 A 8.29 4.19 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 43 D 8.16 4.73 0.00 2.71 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 44 N 8.26 5.12 0.00 2.97 2.91 0.00 0.00 6.86 7.36 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 45 Q 8.19 4.12 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 46 E 8.26 4.23 0.00 2.07 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 2.34 2.29 0.00 47 T 8.18 4.59 4.73 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 1.46 0.00 0.00 48 I 7.90 3.84 1.92 0.00 0.00 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 1.24 0.72 0.71 0.00 0.00 49 G 8.11 3.63 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 0.00 0.00 0.00 50 Y 7.44 4.34 0.00 2.84 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 51 F 8.24 4.75 0.00 3.09 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 52 K 7.84 3.82 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 53 R 8.07 3.94 0.00 1.83 1.99 0.00 3.31 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 54 L 7.93 4.25 0.00 1.83 1.75 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.64 3.88 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 0.00 0.00 0.00 56 D 8.36 4.54 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.79 1.61 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 0.31 0.00 0.00 0.15 0.00 0.00 58 S 7.75 4.27 0.00 3.92 3.96 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 59 Q 8.13 4.12 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.86 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 60 G 7.69 3.81 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 0.00 0.00 0.00 61 M 9.01 3.89 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 62 A 7.71 4.03 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 63 N 8.26 4.65 0.00 2.76 2.90 0.00 0.00 7.03 9.16 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 64 D 8.64 4.37 0.00 2.74 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 65 K 8.11 4.03 0.00 1.97 1.90 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.62 4.08 0.00 1.79 1.88 1.12 1.27 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 67 R 8.44 4.03 0.00 2.03 2.06 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 G 8.38 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 0.00 0.00 0.00 69 H 8.46 4.22 0.00 3.42 3.66 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 70 S 8.64 4.07 0.00 4.01 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 71 I 7.73 3.67 1.93 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 1.53 0.60 1.12 0.00 0.00 72 T 7.90 4.17 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 1.27 0.00 0.00 73 L 7.91 3.81 0.00 1.64 1.72 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.77 3.99 0.00 1.76 1.95 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 75 Y 7.73 4.03 0.00 3.20 3.01 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 76 A 7.61 3.68 0.37 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 77 L 7.33 3.64 0.00 1.48 1.25 0.60 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.88 3.62 0.00 2.46 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 79 N 7.85 4.28 0.00 2.97 2.91 0.00 0.00 7.28 6.64 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 80 F 7.77 4.67 0.00 3.15 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 81 I 7.80 3.54 1.69 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.12 0.85 0.00 0.00 82 D 8.19 4.63 0.00 2.81 2.76 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 83 Q 7.95 4.53 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.77 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 84 L 7.59 4.01 0.00 1.59 1.70 0.80 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.08 4.35 0.00 2.67 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 86 N 7.91 4.83 0.00 2.70 2.68 0.00 0.00 7.14 9.03 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 87 P 0.00 4.23 0.00 2.25 2.13 0.00 3.67 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 2.19 0.00 88 D 8.22 4.50 0.00 2.92 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 89 D 8.65 4.39 0.00 2.83 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 90 L 8.09 3.97 0.00 1.92 1.77 0.80 0.59 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 91 V 8.02 3.38 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 0.54 0.00 0.00 0.41 0.00 0.00 92 C 8.15 4.12 0.00 3.20 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 93 V 7.82 3.67 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 0.94 0.00 0.00 1.28 0.00 0.00 94 V 8.10 3.85 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 0.55 0.00 0.00 95 E 8.41 3.90 0.00 2.18 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 2.36 2.42 0.00 96 K 7.66 3.80 0.00 1.71 1.57 0.00 0.62 0.00 0.00 1.30 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.38 7.81 97 F 8.28 4.74 0.00 3.37 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.34 3.98 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 99 V 7.92 3.52 2.26 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 1.01 0.00 0.00 0.95 0.00 0.00 100 N 7.92 4.34 0.00 3.14 2.90 0.00 0.00 7.07 8.03 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 0.00 101 H 8.23 4.07 0.00 3.40 3.41 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.96 3.73 1.99 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 1.56 0.78 0.90 0.00 0.00 103 T 7.80 3.89 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 1.23 0.00 0.00 104 R 7.10 4.24 0.00 1.61 1.77 0.00 3.30 0.00 0.00 3.42 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 105 K 7.84 3.79 0.00 1.89 1.93 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.58 7.81 106 I 7.70 4.01 1.99 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 1.02 0.00 0.00 107 S 8.38 4.54 0.00 4.08 4.04 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 0.00 108 A 8.44 3.98 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 0.00 109 A 7.91 3.98 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 0.00 110 E 8.35 4.17 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 111 F 8.80 4.23 0.00 3.25 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 0.00 112 G 8.39 3.88 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 0.00 0.00 0.00 113 K 7.80 4.25 0.00 1.90 1.91 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.76 7.81 114 I 7.62 3.84 1.64 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 1.39 1.17 0.76 0.00 0.00 115 N 8.20 4.43 0.00 2.96 2.88 0.00 0.00 6.71 7.74 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 0.00 116 G 8.04 3.63 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 0.00 0.00 0.00 117 P 0.00 4.25 0.00 2.22 2.03 0.00 3.67 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 2.04 2.12 0.00 118 I 7.85 3.40 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.95 0.50 0.00 0.00 119 K 8.21 3.83 0.00 1.86 1.92 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 120 K 7.99 3.86 0.00 1.91 1.89 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.44 7.81 121 V 7.61 3.58 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 0.81 0.00 0.00 0.65 0.00 0.00 122 L 7.68 3.76 0.00 1.53 1.75 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.04 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 0.00 124 S 7.77 4.29 0.00 4.05 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 0.00 125 K 7.79 4.45 0.00 1.97 1.99 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.40 1.60 7.81 126 N 8.06 4.12 0.00 2.74 2.56 0.00 0.00 6.87 7.19 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 0.00 127 F 8.05 4.40 0.00 2.99 2.76 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 0.00 128 G 8.45 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.89 4.45 0.00 2.78 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 0.00 130 K 8.09 3.75 0.00 1.68 1.61 0.00 1.52 0.00 0.00 1.35 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.71 1.25 7.81 131 Y 8.23 4.17 0.00 3.42 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 0.00 132 A 8.10 4.13 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 0.00 133 N 8.88 4.30 0.00 2.89 2.96 0.00 0.00 7.12 8.63 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 0.00 134 A 7.76 3.92 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 0.00 135 W 8.47 3.95 0.00 3.59 3.40 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 0.00 136 A 8.24 4.11 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 0.00 137 K 7.67 3.90 0.00 1.92 1.83 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 138 L 7.59 3.94 0.00 1.46 1.78 0.57 0.80 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 0.00 139 V 8.28 3.79 2.37 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 1.23 0.00 0.00 1.20 0.00 0.00 140 A 8.20 4.79 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 0.00 141 V 7.46 3.42 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 0.66 0.00 0.00 0.83 0.00 0.00 142 V 7.48 3.51 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 0.18 0.00 0.00 0.85 0.00 0.00 143 Q 8.13 3.85 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.66 2.71 0.00 144 A 7.88 4.04 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 0.00 145 A 7.55 4.35 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 0.00 146 L 7.38 4.09 0.00 1.68 1.52 0.55 0.99 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