NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4479 8.3044 118.1953 55.2738 32.5478 174.4631 2 V 4.2241 7.8737 118.8874 61.0340 34.3421 173.1468 3 L 4.3173 8.3179 127.5734 54.0041 43.6568 176.8744 4 S 4.5425 8.6131 117.2841 57.7069 65.3957 175.1482 5 E 4.3208 8.7964 122.1487 59.3604 29.3484 178.9388 6 G 3.6174 8.0923 105.5647 47.5921 0.0000 175.5044 7 E 3.8709 8.0696 120.5129 59.1260 29.5251 179.3301 8 W 4.3297 7.8572 118.7111 59.9546 29.0752 178.5990 9 Q 4.1390 8.5062 118.0625 59.0779 28.2826 178.8054 10 L 4.0947 7.9707 119.9341 57.6842 41.5770 179.9082 11 V 3.7514 7.8110 118.2579 66.0299 31.6712 177.9149 12 L 4.3846 8.6766 118.0660 56.8255 41.2508 178.8619 13 H 4.2907 8.4476 119.1987 59.2999 29.9002 177.3579 14 V 3.6830 7.8377 119.6732 65.6639 31.3410 177.6017 15 W 3.9872 8.5595 128.0090 60.5158 30.2096 177.6835 16 A 3.9702 8.0215 119.7773 54.9171 18.0773 179.5921 17 K 3.9348 7.2655 117.3987 59.5126 32.2193 179.4852 18 V 2.8184 7.1492 118.4390 65.9662 30.9606 177.8854 19 E 3.7872 7.6306 116.4782 58.7080 29.2534 178.7766 20 A 4.2053 7.3972 120.1187 53.8794 19.6849 177.4242 21 D 4.6227 7.9457 116.6632 51.8962 42.0197 175.5675 22 V 3.4796 7.8880 122.7647 65.3149 32.0302 176.8524 23 A 4.0478 7.9571 120.3590 55.0471 18.3223 179.7324 24 G 3.6861 8.4218 105.7061 47.7186 0.0000 175.7914 25 H 4.2086 8.3837 118.7535 58.2077 28.6070 178.1564 26 G 3.5552 8.2990 107.9470 47.8448 0.0000 175.4341 27 Q 3.8748 8.0212 122.6005 58.9224 29.0602 178.1911 28 D 4.3065 8.0321 119.7770 57.3130 40.7180 178.9808 29 I 3.6763 7.7825 120.2326 64.4192 37.1581 178.5388 30 L 3.4548 7.8124 119.8183 57.4702 41.2443 179.7531 31 I 3.6352 7.5590 119.8272 64.2959 37.0217 178.3067 32 R 3.8075 7.9038 119.5603 59.2499 29.7256 178.3283 33 L 3.8955 7.9792 120.2962 58.3149 42.0185 179.0425 34 F 4.6115 8.0286 118.1387 60.5292 38.5528 177.9689 35 K 4.0243 8.3116 117.8884 59.5857 31.9819 179.3821 36 S 4.3002 8.2346 114.7565 60.3488 64.1063 174.4435 37 H 4.6948 8.2752 119.1906 52.0378 29.0937 171.9736 38 P 4.8830 0.0000 0.0000 64.4089 31.1976 177.4570 39 E 4.9802 8.4544 117.6122 58.8484 29.5497 179.0721 40 T 3.7936 8.2881 111.7334 64.5143 68.8596 176.3220 41 L 3.6586 7.9114 122.8712 57.8710 41.9798 178.7749 42 E 4.0968 8.0650 118.4127 59.0059 29.1495 178.8120 43 K 4.4299 8.0215 116.4128 56.8424 32.4519 176.7691 44 F 4.5333 7.9716 119.3485 55.3909 39.2586 175.9752 45 D 4.5579 8.5278 126.8112 57.0694 40.9692 178.5122 46 R 3.8700 7.7799 118.4302 58.2249 30.2911 176.7269 47 F 4.9905 7.1246 113.9635 57.6221 41.1175 178.0652 48 K 4.2656 8.6012 121.1944 59.6365 31.7079 177.5499 49 H 4.2837 8.2890 112.2792 57.7624 28.5542 175.6140 50 L 4.0797 7.5589 121.3039 55.0644 41.6357 176.9732 51 K 4.2537 9.4367 124.0127 57.6672 33.0561 176.9485 52 T 4.7350 7.3119 107.5420 58.9569 73.3086 174.2267 53 E 3.8940 8.6027 120.2539 59.1414 29.5195 178.3919 54 A 4.0298 7.9144 120.6584 55.0877 18.2902 179.2567 55 E 3.9105 7.8728 115.8654 59.7429 29.9090 179.1854 56 M 4.1543 8.2327 118.8319 58.4350 31.8323 179.0292 57 K 3.9831 8.3353 117.5477 58.9806 32.2941 178.4059 58 A 4.4124 7.8099 118.4508 51.4395 18.9418 177.0489 59 S 4.2854 7.4186 113.9768 57.4401 62.9698 174.5964 60 E 3.9914 8.8568 128.8807 59.1881 29.5841 178.2927 61 D 4.4518 8.1057 118.7514 57.3733 41.0259 178.2903 62 L 3.3925 8.1396 121.0467 57.7359 41.8115 178.9445 63 K 3.8995 7.8042 119.8333 59.2948 32.1445 179.0016 64 K 3.9930 8.2714 118.9294 59.7568 31.9530 178.7568 65 H 4.3448 8.3693 118.3112 59.3004 29.7125 177.5274 66 G 3.5729 8.3075 107.5700 47.5941 0.0000 175.9563 67 V 3.5888 7.5426 120.4666 66.0753 31.5860 178.0230 68 T 3.8913 7.9471 115.5600 66.7712 68.3716 176.4615 69 V 3.5947 7.8240 119.7615 66.2830 31.5771 178.1810 70 L 4.2560 8.2579 118.6360 57.8406 41.3734 179.7578 71 T 3.9843 8.1821 115.9071 66.5618 68.2850 176.6075 72 A 4.0181 8.0770 122.7820 55.0802 18.3263 179.4888 73 L 3.7593 8.1827 119.0648 58.0208 42.1155 179.4004 74 G 3.3893 8.6221 106.0271 47.7027 0.0000 175.5331 75 A 4.1071 7.8440 121.8828 54.3376 18.6142 179.5892 76 I 3.8595 7.2324 118.9729 64.4504 37.3246 178.3598 77 L 3.9852 7.7700 119.9155 57.7563 41.1623 179.7367 78 K 3.9663 7.7388 117.1414 58.7123 32.3696 179.0383 79 K 3.9478 7.8551 118.4940 56.5049 31.9114 177.1089 80 K 2.0000 8.2726 117.6450 56.8055 29.9028 175.5345 81 G 4.0949 8.0528 107.6902 46.4350 0.0000 175.2576 82 H 4.9219 7.6122 117.8513 54.5073 27.3002 175.3485 83 H 5.0181 7.0592 114.7581 54.3767 29.0804 175.7583 84 E 3.9084 8.1244 122.6181 59.9608 29.1578 179.1865 85 A 4.0580 7.8714 118.8063 55.2728 19.2196 179.1205 86 E 4.0772 8.1654 116.6427 59.3620 29.4814 179.1423 87 L 3.9171 8.1118 120.4909 57.8347 42.0620 178.4863 88 K 3.9132 7.7951 117.9767 59.2764 32.0452 177.1868 89 P 4.3084 0.0000 0.0000 65.7956 31.1981 178.2666 90 L 3.9940 7.4871 118.1609 58.0465 42.0190 178.7720 91 A 4.2210 8.3392 121.0908 55.2226 18.3108 179.4001 92 Q 3.8756 8.1909 118.3518 59.3807 29.1141 178.6765 93 S 4.0209 8.2132 115.3361 61.7071 63.1235 176.0356 94 H 4.1851 8.6736 119.3066 57.7772 28.3947 177.2067 95 A 2.8697 8.1829 122.7488 53.4741 18.4558 179.0574 96 T 3.9444 7.4340 112.7719 64.8279 69.5340 176.1206 97 K 4.0463 7.5020 119.8276 58.8004 32.7732 177.0859 98 H 4.4066 7.9768 114.2359 55.6272 29.2905 174.3725 99 K 3.3890 7.5039 118.6218 55.5429 28.1516 172.7515 100 I 4.4910 8.0997 120.1191 58.1829 39.8046 174.4009 101 P 4.5945 0.0000 0.0000 62.3537 32.1558 177.4919 102 I 3.7503 8.3038 121.3373 64.3101 36.8604 178.9928 103 K 3.9903 7.8860 119.3895 60.0646 32.3732 178.7181 104 Y 4.1619 8.0013 117.9221 60.7143 37.8474 178.1482 105 L 4.2040 8.0006 119.7873 57.6321 41.7544 179.0940 106 E 4.0086 7.9769 118.5946 59.4666 29.3974 179.3052 107 F 4.4651 7.7970 117.7880 60.8052 38.8664 177.5887 108 I 3.9230 8.1307 117.9501 63.6797 37.7574 178.1431 109 S 4.1725 8.0244 116.2568 61.5068 62.6988 176.0149 110 E 4.0070 8.3443 121.7877 59.3700 29.3854 178.7446 111 A 4.0563 8.0532 120.7456 55.2515 18.3412 179.7076 112 I 3.7219 8.1748 118.6321 64.6637 37.2173 178.8025 113 I 3.8463 8.0466 120.7097 64.4575 36.8799 178.0404 114 H 4.1422 8.4419 119.3239 59.3075 29.6903 177.5975 115 V 3.5990 7.8819 120.1159 65.8398 31.2611 178.0607 116 L 3.8189 8.0612 119.1449 57.6533 41.0251 178.9043 117 H 4.2759 7.8709 117.5654 59.3722 29.9027 177.3210 118 S 4.1787 7.8563 115.7664 61.7422 62.7981 176.5724 119 R 4.0200 7.8640 119.2983 57.7208 31.3979 176.7239 120 H 5.0248 8.1765 115.0811 53.9170 29.1506 172.9570 121 P 4.3650 0.0000 0.0000 65.4316 32.1184 179.6990 122 G 3.6436 8.1402 107.3182 47.7183 0.0000 173.8632 123 N 4.9672 8.1423 114.8782 52.8923 39.0078 174.7119 124 F 5.0396 7.8589 119.7113 56.8434 39.8764 175.2602 125 G 3.8847 7.9058 107.8005 44.1681 0.0000 172.5183 126 A 3.8805 8.4038 120.6370 55.4228 18.3919 179.7207 127 D 4.1849 7.9713 116.6567 57.4639 40.9089 178.7819 128 A 3.9667 7.7582 120.7852 54.8908 18.3330 179.3474 129 Q 2.9814 7.8091 118.6314 58.7914 29.0169 178.4983 130 G 3.5034 8.1778 106.9216 47.7175 0.0000 175.5762 131 A 3.8680 7.9371 123.1493 54.9280 18.3746 179.4259 132 M 3.9621 8.1824 116.9322 58.7759 32.2824 177.9269 133 N 4.3178 8.4731 117.6238 56.6202 39.0927 176.7413 134 K 3.8500 8.1776 120.8358 59.3990 32.2646 178.7104 135 A 3.8593 8.0142 121.2332 54.8228 18.2090 179.5846 136 L 4.1255 8.1283 117.6902 57.7390 41.7329 179.2007 137 E 3.9833 8.5315 119.0086 59.2714 29.3754 179.1773 138 L 3.9416 8.1024 120.2604 58.1098 42.2459 178.6123 139 F 4.1354 8.3350 120.5105 61.6479 39.2175 177.3591 140 R 3.5431 8.1807 117.5030 58.8603 29.8002 179.0164 141 K 3.8454 8.3034 119.8570 59.6514 32.2730 178.7311 142 D 4.3637 8.1646 119.1261 57.1543 40.5952 178.8477 143 I 3.5117 7.4921 120.3466 63.9141 37.0785 178.1405 144 A 3.6494 7.9705 121.7872 55.0046 18.2882 179.5720 145 A 3.9482 7.8873 119.2416 55.2520 18.4370 180.0879 146 K 4.0159 8.0230 116.9814 59.5755 32.0227 178.9737 147 Y 4.3827 8.2936 117.4226 61.2735 37.9095 178.7426 148 K 3.9376 8.1316 120.1008 59.8247 32.0777 178.6628 149 E 4.0757 7.9392 116.8501 58.7810 29.4221 178.4776 150 L 4.4246 7.7060 117.4013 54.8602 42.0730 177.5371 151 G 4.1045 7.9923 107.2670 45.3947 0.0000 173.2766 152 Y 4.2869 8.2315 121.0970 58.5376 40.9435 176.5278 153 Q 3.1984 7.5778 115.2385 57.2138 27.0066 174.1505 154 G 3.1630 7.5146 114.2840 45.0291 0.0000 171.3339 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.45 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 V 7.87 4.22 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 0.86 0.00 0.00 0.95 0.00 0.00 3 L 8.32 4.32 0.00 0.96 0.76 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.61 4.54 0.00 4.06 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 5 E 8.80 4.32 0.00 2.20 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 2.43 2.51 0.00 6 G 8.09 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.07 3.87 0.00 1.94 1.72 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 2.21 2.26 0.00 8 W 7.86 4.33 0.00 3.58 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 9 Q 8.51 4.14 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 10 L 7.97 4.09 0.00 1.88 1.75 0.88 0.85 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 11 V 7.81 3.75 2.38 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 1.18 0.00 0.00 0.92 0.00 0.00 12 L 8.68 4.38 0.00 1.82 1.81 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.45 4.29 0.00 3.41 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.84 3.68 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 0.93 0.00 0.00 1.36 0.00 0.00 15 W 8.56 3.99 0.00 3.62 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 16 A 8.02 3.97 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 17 K 7.27 3.93 0.00 1.56 1.70 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.44 7.81 18 V 7.15 2.82 1.03 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 -0.12 0.00 0.00 0.45 0.00 0.00 19 E 7.63 3.79 0.00 1.98 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 2.15 2.13 0.00 20 A 7.40 4.21 1.29 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 0.00 0.00 21 D 7.95 4.62 0.00 2.69 2.49 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 22 V 7.89 3.48 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 1.05 0.00 0.00 0.83 0.00 0.00 23 A 7.96 4.05 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 24 G 8.42 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 H 8.38 4.21 0.00 3.11 3.24 0.00 5.82 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 26 G 8.30 3.56 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 0.00 0.00 0.00 27 Q 8.02 3.87 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 28 D 8.03 4.31 0.00 2.89 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 29 I 7.78 3.68 1.89 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 1.52 0.74 0.88 0.00 0.00 30 L 7.81 3.45 0.00 1.39 1.04 0.79 0.53 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 31 I 7.56 3.64 1.87 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 1.38 0.66 0.87 0.00 0.00 32 R 7.90 3.81 0.00 1.96 2.11 0.00 3.01 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 33 L 7.98 3.90 0.00 1.66 1.45 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.03 4.61 0.00 3.03 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 35 K 8.31 4.02 0.00 1.82 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.49 7.81 36 S 8.23 4.30 0.00 3.74 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 37 H 8.28 4.69 0.00 2.84 2.82 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.88 0.00 2.07 2.10 0.00 4.06 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.86 0.00 39 E 8.45 4.98 0.00 2.30 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 2.30 2.38 0.00 40 T 8.29 3.79 4.43 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 0.89 0.00 0.00 41 L 7.91 3.66 0.00 1.34 1.79 0.15 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.06 4.10 0.00 2.33 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 2.37 2.38 0.00 43 K 8.02 4.43 0.00 1.86 1.61 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.70 1.93 7.81 44 F 7.97 4.53 0.00 3.25 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 45 D 8.53 4.56 0.00 2.57 2.68 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 46 R 7.78 3.87 0.00 1.36 0.66 0.00 3.08 0.00 0.00 3.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.45 0.00 47 F 7.12 4.99 0.00 2.91 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 48 K 8.60 4.27 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.64 7.81 49 H 8.29 4.28 0.00 3.29 3.45 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.56 4.08 0.00 1.54 1.59 0.87 0.78 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 51 K 9.44 4.25 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.57 7.81 52 T 7.31 4.74 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 1.20 0.00 0.00 53 E 8.60 3.89 0.00 2.04 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 2.35 2.35 0.00 54 A 7.91 4.03 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 55 E 7.87 3.91 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 2.35 2.35 0.00 56 M 8.23 4.15 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 57 K 8.34 3.98 0.00 1.78 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.60 7.81 58 A 7.81 4.41 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.42 4.29 0.00 3.90 3.83 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 0.00 0.00 0.00 0.00 60 E 8.86 3.99 0.00 2.14 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 2.39 2.47 0.00 61 D 8.11 4.45 0.00 3.03 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 62 L 8.14 3.39 0.00 1.04 1.40 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.80 3.90 0.00 1.77 1.94 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 64 K 8.27 3.99 0.00 1.93 1.90 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.57 7.81 65 H 8.37 4.34 0.00 3.68 3.54 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 66 G 8.31 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 67 V 7.54 3.59 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 1.04 0.00 0.00 0.95 0.00 0.00 68 T 7.95 3.89 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 69 V 7.82 3.59 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 1.09 0.00 0.00 0.97 0.00 0.00 70 L 8.26 4.26 0.00 1.78 1.86 0.90 1.24 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 71 T 8.18 3.98 4.42 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 1.26 0.00 0.00 72 A 8.08 4.02 1.42 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 0.00 0.00 73 L 8.18 3.76 0.00 1.63 1.74 0.24 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.62 3.39 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 75 A 7.84 4.11 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 76 I 7.23 3.86 1.87 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 1.55 0.67 0.90 0.00 0.00 77 L 7.77 3.99 0.00 1.41 1.56 -0.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.74 3.97 0.00 1.68 1.82 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.52 7.81 79 K 7.86 3.95 0.00 1.83 1.77 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.82 7.81 80 K 8.27 2.00 0.00 1.28 0.74 0.00 1.50 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.33 0.78 7.81 81 G 8.05 4.09 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 0.00 0.00 0.00 82 H 7.61 4.92 0.00 3.21 3.31 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 7.06 5.02 0.00 3.35 3.46 0.00 5.68 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 84 E 8.12 3.91 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 85 A 7.87 4.06 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 86 E 8.17 4.08 0.00 2.24 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 2.41 2.44 0.00 87 L 8.11 3.92 0.00 2.01 1.67 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.80 3.91 0.00 2.06 1.84 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.49 7.81 89 P 0.00 4.31 0.00 2.30 2.34 0.00 3.72 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 2.11 2.05 0.00 90 L 7.49 3.99 0.00 1.82 1.88 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.34 4.22 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 92 Q 8.19 3.88 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 93 S 8.21 4.02 0.00 3.96 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 94 H 8.67 4.19 0.00 3.56 3.57 0.00 5.80 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 95 A 8.18 2.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.43 3.94 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 1.12 0.00 0.00 97 K 7.50 4.05 0.00 1.55 1.59 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.35 7.81 98 H 7.98 4.41 0.00 2.99 3.13 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.50 3.39 0.00 1.80 1.82 0.00 1.59 0.00 0.00 2.25 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.34 7.81 100 I 8.10 4.49 2.10 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 1.54 1.05 1.16 0.00 0.00 101 P 0.00 4.59 0.00 1.93 1.99 0.00 3.28 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 0.68 1.53 0.00 102 I 8.30 3.75 1.82 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.12 0.82 0.00 0.00 103 K 7.89 3.99 0.00 1.86 1.95 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 104 Y 8.00 4.16 0.00 3.25 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 0.00 105 L 8.00 4.20 0.00 1.85 1.79 0.74 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.98 4.01 0.00 2.05 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 0.00 2.32 2.30 0.00 107 F 7.80 4.47 0.00 3.14 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 0.00 108 I 8.13 3.92 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 1.08 0.00 0.00 109 S 8.02 4.17 0.00 4.20 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 0.00 110 E 8.34 4.01 0.00 2.18 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 0.00 2.39 2.42 0.00 111 A 8.05 4.06 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 0.00 112 I 8.17 3.72 2.10 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 1.61 0.80 1.03 0.00 0.00 113 I 8.05 3.85 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.15 1.11 0.00 0.00 114 H 8.44 4.14 0.00 3.39 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.88 3.60 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 1.00 0.00 0.00 0.97 0.00 0.00 116 L 8.06 3.82 0.00 0.43 0.73 0.79 1.11 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 0.00 117 H 7.87 4.28 0.00 3.41 3.51 0.00 5.95 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 S 7.86 4.18 0.00 3.80 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 0.00 119 R 7.86 4.02 0.00 1.66 1.59 0.00 3.10 0.00 0.00 2.99 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 120 H 8.18 5.02 0.00 3.17 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.37 0.00 2.20 2.25 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 122 G 8.14 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 0.00 123 N 8.14 4.97 0.00 2.80 2.92 0.00 0.00 6.70 7.46 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 0.00 124 F 7.86 5.04 0.00 2.89 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 0.00 125 G 7.91 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 0.00 126 A 8.40 3.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 7.97 4.18 0.00 2.65 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 0.00 128 A 7.76 3.97 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 0.00 129 Q 7.81 2.98 0.00 1.19 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 130 G 8.18 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.87 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 0.00 132 M 8.18 3.96 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 133 N 8.47 4.32 0.00 2.89 2.91 0.00 0.00 6.88 6.67 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 0.00 134 K 8.18 3.85 0.00 1.93 1.70 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 135 A 8.01 3.86 1.23 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 0.00 0.00 0.00 136 L 8.13 4.13 0.00 1.77 1.81 0.98 0.65 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 0.00 137 E 8.53 3.98 0.00 2.12 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 2.34 2.52 0.00 138 L 8.10 3.94 0.00 1.87 1.97 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.33 4.14 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.18 3.54 0.00 1.98 1.85 0.00 3.17 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.00 0.00 141 K 8.30 3.85 0.00 1.80 1.91 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 142 D 8.16 4.36 0.00 2.87 2.68 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 0.00 143 I 7.49 3.51 1.30 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.20 0.12 0.00 0.00 144 A 7.97 3.65 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 0.00 145 A 7.89 3.95 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 0.00 146 K 8.02 4.02 0.00 2.04 1.92 0.00 1.58 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 147 Y 8.29 4.38 0.00 3.29 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 0.00 148 K 8.13 3.94 0.00 1.88 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 149 E 7.94 4.08 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 150 L 7.71 4.42 0.00 1.83 1.70 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.99 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 8.23 4.29 0.00 2.58 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 0.00 153 Q 7.58 3.20 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 154 G 7.51 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00