NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4114 8.3001 120.3204 55.3658 32.6708 174.8985 2 A 4.0741 9.3343 128.4831 50.4621 20.7264 170.4375 3 E 3.5991 8.9130 122.7507 56.1713 27.9030 173.5420 4 G 3.6836 8.8718 113.2627 47.8040 0.0000 172.7581 5 G 3.9002 7.7708 106.9691 44.3852 0.0000 174.6253 6 A 3.8194 8.3825 123.7864 51.2051 17.1909 176.8655 7 A 4.5716 7.0653 117.7033 50.4575 21.3098 177.2945 8 D 4.4111 8.0401 118.3154 53.8775 43.3866 177.3827 9 L 4.0013 8.1489 125.8485 57.3743 41.3195 179.3539 10 D 4.2461 8.6833 118.3111 57.2762 41.0463 178.5953 11 T 3.9500 7.5156 115.8423 66.6828 68.8486 176.3047 12 Q 4.0555 8.3223 120.3462 59.3936 28.7690 179.4517 13 R 4.4813 8.0930 116.5842 59.7686 29.4904 178.7741 14 S 4.2184 7.7881 114.0042 60.8965 62.1975 175.6399 15 D 4.4992 8.8320 120.4867 57.5148 41.2751 178.0395 16 I 4.1347 8.6098 120.2057 64.2407 37.0324 178.2199 17 A 4.4687 8.5962 121.9135 55.5947 18.1624 179.7585 18 T 4.0254 8.0783 113.7888 66.2888 68.3028 176.5021 19 L 4.3959 8.1549 119.8674 56.4173 41.9579 178.3915 20 L 4.6059 7.7486 118.7179 56.3495 41.9844 178.1109 21 K 4.4190 8.0472 116.0166 56.7317 33.6518 176.9074 22 T 4.2598 7.1199 116.5802 63.1007 69.1317 174.7585 23 S 4.4065 8.7238 121.8754 59.0206 63.4380 174.4626 24 L 5.0062 8.6992 123.4061 55.8324 41.3303 173.5219 25 R 3.7324 8.2984 125.4905 55.0184 28.8047 175.3989 26 K 4.0425 8.6054 122.9173 59.4734 31.9250 177.1996 27 G 3.9594 9.0609 112.4148 44.9693 0.0000 172.0540 28 D 4.8017 8.3123 120.7386 53.4602 43.8965 174.5779 29 T 4.8972 9.0169 116.1469 61.7062 70.9305 174.2912 30 W 4.7414 9.4692 126.5071 55.1630 32.7451 174.5147 31 Y 4.7820 9.0132 118.5578 56.0611 40.4865 175.7771 32 L 4.6544 8.4353 123.8909 54.6638 42.9542 176.6413 33 V 4.9576 9.1668 120.8678 59.8714 35.0038 174.5885 34 D 4.9149 8.8827 126.6114 53.1276 40.3490 177.5827 35 S 4.3919 8.6834 117.0411 61.3390 62.9217 177.1553 36 R 4.0875 8.1967 121.9360 58.7743 29.9523 178.3912 37 W 4.0504 9.3461 128.5827 60.4791 30.7661 177.8341 38 F 4.2586 8.5172 119.6913 61.4606 38.5549 177.2432 39 K 4.2483 8.9652 118.5132 59.4048 31.9084 179.1751 40 Q 3.9239 8.4172 120.3044 58.8125 28.9912 177.9522 41 W 3.9580 8.1246 129.7718 60.3324 30.4963 177.8226 42 K 3.4681 8.2245 118.7532 59.3330 31.5823 179.3683 43 K 3.7264 7.4725 117.1128 59.6103 32.0182 178.8497 44 Y 4.2524 7.6939 119.5198 60.3466 38.5066 177.8461 45 V 3.2332 7.4841 118.6304 61.2815 31.9372 176.4357 46 G 3.5664 7.1103 106.2171 46.1906 0.0000 174.8653 47 F 3.8483 7.9737 124.2278 60.1545 39.7089 175.0237 48 D 4.6896 7.8026 120.9773 52.9940 41.4694 176.9448 49 S 4.1321 8.8155 123.3462 60.3648 62.9805 174.8579 50 W 4.7826 7.8920 115.1985 56.3118 29.2464 175.7840 51 D 4.5366 7.4607 118.8818 52.1326 39.7516 175.1136 52 K 4.5265 7.8585 118.9134 55.9669 33.5352 177.4211 53 Y 4.0770 8.3316 118.9905 60.1746 38.2636 176.5124 54 Q 4.3435 7.8487 116.6234 55.5799 29.4442 174.6537 55 M 4.1277 7.5409 119.1348 56.9650 32.1864 176.1740 56 G 3.8417 9.0446 115.2733 45.3849 0.0000 172.5588 57 D 4.6476 8.0900 120.3260 53.5503 42.2171 177.0531 58 Q 4.0493 8.5613 122.2151 58.2844 29.4785 177.8284 59 N 4.4043 9.0329 116.4751 55.7581 38.5837 176.0781 60 V 4.1507 7.1237 108.6428 60.6645 32.0502 175.2741 61 Y 3.4256 7.6506 119.9758 56.3136 37.7047 174.1426 62 P 4.0270 0.0000 0.0000 60.8492 32.4130 177.0653 63 G 4.2769 7.7011 118.9359 44.1653 0.0000 171.3119 64 P 5.4532 0.0000 0.0000 61.8918 32.2794 176.4034 65 I 2.6190 8.4300 125.6232 61.4545 37.9987 174.4708 66 D 4.9829 8.2899 127.1232 52.6138 42.3313 174.8745 67 N 4.8830 9.5482 123.7164 53.1802 38.6810 177.6578 68 S 4.2436 8.1214 117.9802 61.6879 62.9760 176.9202 69 G 3.8119 8.0674 107.3227 47.4053 0.0000 174.1749 70 L 4.3924 8.1619 120.2868 56.4232 42.5145 176.9404 71 L 4.7238 7.1836 116.4803 54.2647 42.0869 177.6025 72 K 4.2775 9.3069 122.9004 56.0535 33.9654 176.1686 73 D 4.5027 8.5026 121.1488 58.3830 39.8151 175.4019 74 G 4.1879 8.9573 114.2603 45.3409 0.0000 172.5192 75 D 4.8660 7.4464 118.2266 52.3545 43.1023 175.7906 76 A 4.4184 8.6276 125.3055 52.6328 19.0364 177.3338 77 Q 4.5721 7.9065 113.2958 55.4554 30.0699 175.2694 78 S 4.6788 7.6762 115.0964 56.5119 65.5249 173.5117 79 L 4.7232 8.2795 125.0562 53.8304 42.4823 176.8363 80 K 4.3836 8.4839 121.7302 55.9213 33.2953 177.7588 81 E 4.1066 8.7502 119.2822 60.1384 29.4557 178.8110 82 H 4.6341 8.1707 111.9046 56.1179 29.1636 175.4466 83 L 4.3389 7.2682 119.2894 54.8442 42.0343 176.5086 84 I 4.3793 7.6693 122.2697 58.8676 42.0081 175.1438 85 D 4.6336 8.0964 119.9624 53.8180 41.8846 176.9976 86 E 4.4465 8.8614 113.6662 58.7239 29.8366 178.8469 87 L 4.0899 7.9836 118.9993 57.3615 42.2235 176.8672 88 D 4.7388 8.8267 116.9323 55.1447 43.1124 174.3286 89 Y 5.1819 7.0413 114.9819 56.2608 41.8285 173.7188 90 I 5.1123 9.3063 118.0744 60.6364 42.2694 174.0997 91 L 5.4761 8.6355 122.6004 53.2005 44.8573 176.0412 92 L 5.1604 9.3057 121.5168 51.9655 45.9065 174.6869 93 P 3.4132 0.0000 0.0000 62.1473 32.2968 177.3145 94 T 4.0882 8.4483 115.1618 67.3646 68.1002 176.4207 95 E 4.0550 8.0719 119.6332 59.0631 29.5193 179.5205 96 G 3.4707 7.7015 105.3054 47.4595 0.0000 175.3032 97 W 4.0041 8.2326 131.6016 60.1712 30.6649 177.4819 98 N 3.9279 8.4219 116.6244 56.2588 37.8540 177.5508 99 K 3.0832 7.6539 119.7190 59.1872 31.9982 179.5608 100 L 3.7646 6.9658 119.0082 57.3621 41.4838 179.5612 101 V 3.2700 7.2543 118.3572 65.0320 31.0817 177.9899 102 S 4.0121 7.3134 112.5802 60.4937 62.2479 175.7879 103 W 4.5406 7.9483 121.2976 59.0571 29.4634 176.8627 104 Y 4.6015 8.1442 112.9813 56.4912 39.4869 176.4009 105 T 3.1471 7.3843 115.1858 62.5182 68.0947 169.8040 106 L 4.7403 7.6900 121.0198 53.2770 43.7591 176.5625 107 M 4.4532 8.5966 123.8444 55.1425 33.3268 175.5512 108 E 4.1075 8.6092 119.6474 57.5339 30.5187 177.2330 109 G 3.9295 9.3350 110.8107 45.4012 0.0000 172.3367 110 Q 4.7648 7.3787 116.0420 53.9037 32.0608 174.2425 111 E 4.8440 8.1826 116.9361 53.8428 33.5654 174.0311 112 P 3.9874 0.0000 0.0000 62.7116 32.0540 176.4089 113 I 4.1199 7.7891 123.5750 60.0390 38.1535 174.2650 114 A 4.3392 8.1852 129.5816 50.3225 20.2510 175.9496 115 R 4.3782 8.7477 123.8443 54.0240 32.4995 175.5128 116 K 4.6413 8.5717 125.6671 56.0166 33.0182 177.1281 117 V 3.5882 7.9585 122.3779 62.9709 32.0375 176.6165 118 V 3.7654 8.1396 119.4345 61.7201 31.9730 176.2106 119 E 4.3482 8.4446 121.0058 56.4958 30.2662 176.4639 120 Q 4.1428 8.0379 121.7782 56.5673 28.3410 176.5223 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 4.41 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 2 A 9.33 4.07 1.25 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 0.00 0.00 3 E 8.91 3.60 0.00 2.05 2.22 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 2.16 2.18 0.00 4 G 8.87 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 0.00 0.00 0.00 5 G 7.77 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 6 A 8.38 3.82 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 7 A 7.07 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.04 4.41 0.00 2.64 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.15 4.00 0.00 1.47 1.29 0.56 0.83 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 10 D 8.68 4.25 0.00 2.61 2.66 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 0.00 11 T 7.52 3.95 4.38 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 1.24 0.00 0.00 12 Q 8.32 4.06 0.00 2.19 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.93 0.00 0.00 0.00 0.00 0.00 1.16 2.21 0.00 13 R 8.09 4.48 0.00 2.20 1.82 0.00 2.73 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 14 S 7.79 4.22 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 15 D 8.83 4.50 0.00 3.01 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 16 I 8.61 4.13 2.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.99 1.26 0.00 0.00 17 A 8.60 4.47 1.59 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 18 T 8.08 4.03 4.58 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 1.32 0.00 0.00 19 L 8.15 4.40 0.00 1.88 1.72 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.75 4.61 0.00 1.90 1.95 1.43 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.05 4.42 0.00 1.98 2.03 0.00 1.62 0.00 0.00 1.79 0.00 0.00 3.25 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.89 7.81 22 T 7.12 4.26 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 1.26 0.00 0.00 23 S 8.72 4.41 0.00 3.95 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 24 L 8.70 5.01 0.00 1.69 1.68 0.91 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.30 3.73 0.00 2.35 2.07 0.00 3.25 0.00 0.00 3.55 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 26 K 8.61 4.04 0.00 1.75 1.79 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 27 G 9.06 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 0.00 0.00 0.00 28 D 8.31 4.80 0.00 3.05 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 29 T 9.02 4.90 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 0.78 0.00 0.00 30 W 9.47 4.74 0.00 3.17 3.13 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 0.00 0.00 0.00 31 Y 9.01 4.78 0.00 2.44 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 32 L 8.44 4.65 0.00 1.17 1.36 0.59 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.17 4.96 2.22 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 1.34 0.00 0.00 1.16 0.00 0.00 34 D 8.88 4.91 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.68 4.39 0.00 4.20 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 0.00 36 R 8.20 4.09 0.00 2.23 2.10 0.00 3.20 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 37 W 9.35 4.05 0.00 3.58 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.52 4.26 0.00 3.49 3.33 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 39 K 8.97 4.25 0.00 1.95 1.95 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.83 7.81 40 Q 8.42 3.92 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.71 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 41 W 8.12 3.96 0.00 2.27 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.22 3.47 0.00 1.89 1.86 0.00 2.06 0.00 0.00 1.97 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.09 1.68 7.81 43 K 7.47 3.73 0.00 1.96 1.75 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 44 Y 7.69 4.25 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.48 3.23 1.25 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 -0.50 0.00 0.00 0.42 0.00 0.00 46 G 7.11 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 47 F 7.97 3.85 0.00 2.31 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 48 D 7.80 4.69 0.00 2.70 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 0.00 0.00 0.00 0.00 49 S 8.82 4.13 0.00 3.98 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 W 7.89 4.78 0.00 3.52 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 51 D 7.46 4.54 0.00 1.58 1.71 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 0.00 0.00 0.00 0.00 52 K 7.86 4.53 0.00 1.57 1.59 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.16 1.29 7.81 53 Y 8.33 4.08 0.00 2.83 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.85 4.34 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 55 M 7.54 4.13 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 56 G 9.04 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 0.00 0.00 0.00 57 D 8.09 4.65 0.00 2.68 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 58 Q 8.56 4.05 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 59 N 9.03 4.40 0.00 2.84 2.95 0.00 0.00 7.39 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 60 V 7.12 4.15 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 0.78 0.00 0.00 1.09 0.00 0.00 61 Y 7.65 3.43 0.00 2.84 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 P 0.00 4.03 0.00 0.64 1.10 0.00 2.20 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.50 0.00 63 G 7.70 4.28 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 0.00 64 P 0.00 5.45 0.00 1.98 2.18 0.00 3.84 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 65 I 8.43 2.62 1.36 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.52 0.00 0.00 66 D 8.29 4.98 0.00 2.78 2.64 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 67 N 9.55 4.88 0.00 2.88 2.80 0.00 0.00 6.99 7.55 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 68 S 8.12 4.24 0.00 4.04 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 69 G 8.07 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 70 L 8.16 4.39 0.00 1.84 1.76 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.18 4.72 0.00 1.71 1.78 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 72 K 9.31 4.28 0.00 1.77 1.75 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.54 7.81 73 D 8.50 4.50 0.00 2.57 2.66 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 0.00 74 G 8.96 4.19 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 0.00 0.00 0.00 75 D 7.45 4.87 0.00 2.54 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 76 A 8.63 4.42 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 Q 7.91 4.57 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 78 S 7.68 4.68 0.00 3.82 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 79 L 8.28 4.72 0.00 1.61 1.59 0.84 0.89 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 80 K 8.48 4.38 0.00 1.77 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.50 1.60 7.81 81 E 8.75 4.11 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 82 H 8.17 4.63 0.00 3.12 3.34 0.00 5.71 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 83 L 7.27 4.34 0.00 1.74 2.00 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.67 4.38 1.68 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 1.15 1.67 0.78 0.00 0.00 85 D 8.10 4.63 0.00 2.71 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 0.00 0.00 0.00 0.00 86 E 8.86 4.45 0.00 2.01 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 2.34 2.33 0.00 87 L 7.98 4.09 0.00 1.53 1.72 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.83 4.74 0.00 2.48 2.48 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 89 Y 7.04 5.18 0.00 3.11 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 90 I 9.31 5.11 1.81 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.69 0.00 0.00 91 L 8.64 5.48 0.00 1.73 2.03 0.74 1.06 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 92 L 9.31 5.16 0.00 1.63 1.55 1.08 1.15 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 93 P 0.00 3.41 0.00 1.86 1.44 0.00 3.54 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 94 T 8.45 4.09 4.21 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 1.23 0.00 0.00 95 E 8.07 4.05 0.00 1.89 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 2.32 2.27 0.00 96 G 7.70 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 0.00 0.00 0.00 97 W 8.23 4.00 0.00 3.29 3.06 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 0.00 0.00 0.00 98 N 8.42 3.93 0.00 2.73 2.66 0.00 0.00 7.13 7.91 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 99 K 7.65 3.08 0.00 1.41 0.74 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.15 1.26 7.81 100 L 6.97 3.76 0.00 1.23 1.25 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.25 3.27 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 0.70 0.00 0.00 -0.70 0.00 0.00 102 S 7.31 4.01 0.00 3.82 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 0.00 103 W 7.95 4.54 0.00 3.51 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 0.00 104 Y 8.14 4.60 0.00 3.36 3.41 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 0.00 105 T 7.38 3.15 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 1.20 0.00 0.00 106 L 7.69 4.74 0.00 1.47 1.45 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.60 4.45 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.71 0.00 108 E 8.61 4.11 0.00 1.98 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 2.29 2.27 0.00 109 G 9.34 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 0.00 110 Q 7.38 4.76 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 7.07 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 111 E 8.18 4.84 0.00 1.89 1.80 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 2.22 2.31 0.00 112 P 0.00 3.99 0.00 2.09 1.40 0.00 3.72 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 2.14 2.45 0.00 113 I 7.79 4.12 1.62 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.36 0.72 0.00 0.00 114 A 8.19 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.75 4.38 0.00 1.63 1.60 0.00 3.03 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 116 K 8.57 4.64 0.00 1.60 1.68 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.59 7.81 117 V 7.96 3.59 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 0.70 0.00 0.00 1.05 0.00 0.00 118 V 8.14 3.77 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 0.64 0.00 0.00 0.86 0.00 0.00 119 E 8.44 4.35 0.00 1.92 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 2.22 2.24 0.00 120 Q 8.04 4.14 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00