NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4278 8.2985 121.7434 55.9172 31.1085 174.5688 3 A 4.4957 8.7259 129.6868 51.0031 19.3911 170.9767 4 V 4.3843 8.8351 122.3268 61.0616 33.7154 173.4893 5 K 4.9331 8.5489 127.9714 55.1082 35.0696 175.0926 6 T 4.6816 9.4630 121.0328 60.7493 70.4835 173.1157 7 D 4.6534 8.5865 125.2620 54.0219 40.0659 177.1232 8 R 4.2183 7.8903 118.2751 56.9664 30.4869 175.9911 9 A 4.8013 7.4439 119.9637 48.9756 22.3163 174.0861 10 P 4.4819 0.0000 0.0000 62.5974 31.8272 176.4291 11 A 4.0998 8.2969 122.6111 51.6759 19.0343 177.4878 12 A 4.0165 8.2507 123.4234 52.4422 18.7946 177.7841 13 I 4.3533 7.8586 114.4569 60.0037 37.9687 175.3870 14 G 4.1201 6.8494 108.8174 45.3160 0.0000 173.3252 15 P 4.5954 0.0000 0.0000 61.2043 29.3808 174.8616 16 Y 4.8336 6.8577 119.3798 56.3620 41.1634 175.1107 17 A 4.5582 8.4386 124.1042 51.1662 20.4359 177.4607 18 Q 4.4721 8.7614 119.7688 59.3715 29.8894 176.5931 19 A 5.1330 7.7204 117.3641 51.0719 23.0697 175.3545 20 V 4.9006 9.0061 118.9892 61.1910 35.1331 174.3394 21 K 5.1892 9.0962 127.5029 55.0898 33.5134 176.0266 22 A 4.4382 9.6699 125.1590 52.6195 22.4430 176.2459 23 G 4.2019 10.1654 108.8791 46.5211 0.0000 174.7614 24 G 3.7164 8.5166 106.6546 44.5682 0.0000 173.1544 25 F 5.2811 8.1004 117.6721 55.3729 43.4198 174.2516 26 V 4.7231 8.8014 119.6738 61.3756 34.1413 174.2170 27 F 4.8327 9.5945 128.1573 56.2345 40.6387 174.9816 28 V 4.7024 8.7379 125.3895 61.1175 33.0452 175.7755 29 S 4.5284 8.9776 124.5459 58.1874 63.8283 174.3960 30 G 3.7553 8.3032 109.1188 46.3541 0.0000 173.1062 31 Q 4.7278 9.3860 126.4200 55.0316 30.3927 175.3092 32 I 4.9757 8.1840 116.0027 57.3872 41.0779 174.2061 33 P 4.7080 0.0000 0.0000 62.6653 28.7108 175.5509 34 L 4.9892 7.5232 119.2489 53.4150 44.7125 177.1073 35 A 4.4097 8.8995 125.7449 50.6311 19.4344 176.7690 36 P 4.5029 0.0000 0.0000 65.7218 31.3336 177.5033 37 D 4.5397 8.0557 114.8844 53.3904 39.5430 177.1896 38 G 3.9870 8.5306 109.8245 45.2611 0.0000 174.2399 39 S 4.4106 8.4233 115.6676 57.9110 64.4937 173.4576 40 L 4.5066 8.4271 124.5700 55.0228 42.9235 176.3542 41 V 4.1199 8.7702 127.1851 61.8282 31.5278 175.2717 42 E 4.4530 9.6225 127.5945 55.1399 31.1790 177.2720 43 G 3.7272 8.2294 106.5795 44.5947 0.0000 172.9241 44 D 4.6810 8.2936 121.4147 52.7005 41.7882 176.5064 45 I 3.7445 8.2699 118.1731 64.2591 37.7886 177.8155 46 R 3.9931 8.2914 118.8162 59.1818 29.9295 179.2325 47 V 3.6753 8.1643 119.0093 65.0204 31.4891 178.5214 48 Q 4.0528 8.1861 118.8646 58.8954 28.3160 178.7722 49 T 4.0347 8.2204 116.5446 66.3518 68.5166 176.0691 50 E 4.0358 7.9745 120.6995 59.2791 29.9950 178.5643 51 R 4.0731 7.8084 118.4660 59.2562 30.0340 179.2159 52 V 3.6833 7.6404 114.5229 63.9058 31.3204 177.1899 *54 E 4.2448 8.1528 118.7053 56.0492 31.5892 178.0510 55 N 4.3543 8.2208 116.1770 56.1741 38.4554 177.3393 56 L 3.9712 8.0272 120.5538 57.7397 41.7334 179.5104 57 K 3.8594 7.9621 118.6497 59.4626 32.2715 178.4615 58 A 3.9847 8.0961 121.0046 55.1700 18.3914 179.8475 59 V 3.5654 8.0641 116.9286 66.0956 31.5525 178.2272 60 L 4.0363 8.2013 119.0134 58.0079 41.4701 179.4662 61 E 4.2581 8.7005 119.6019 58.7336 29.1438 179.2215 62 A 4.0996 7.8090 119.6782 54.3458 18.4947 178.4742 63 A 4.4213 7.5978 116.8040 51.8647 18.9608 177.9965 64 G 3.8819 7.9102 105.7176 45.8079 0.0000 174.0411 65 S 4.8876 7.7147 116.0595 58.4796 64.3441 172.4887 66 G 3.9443 8.0416 105.5236 45.1975 0.0000 174.0419 67 L 4.0564 8.1182 119.1411 57.7730 41.5631 179.8434 68 S 4.4022 8.0354 110.8978 59.9731 63.3488 174.6563 69 R 4.3981 7.9904 119.9042 55.9664 30.6263 176.2101 70 V 4.0843 7.5313 119.0659 63.1046 31.9949 175.7506 71 V 4.3848 8.7834 119.6620 61.7957 34.3186 175.3793 72 Q 5.1214 7.7881 120.9699 54.8165 32.5174 173.2571 73 T 5.1644 8.9357 115.3009 60.2131 72.8532 172.9351 74 T 4.6301 8.9964 120.2487 62.2234 71.5393 172.5372 75 C 5.0068 8.7249 125.2555 57.7054 31.0447 173.2386 76 F 5.2458 8.9520 122.0718 55.5923 42.0634 174.3011 77 L 5.2006 8.7726 122.0603 52.9922 44.9327 177.0506 78 A 4.5448 8.3662 121.5386 52.5757 19.7129 176.8301 79 D 4.3833 7.3904 114.4168 53.3796 43.2880 174.9630 *81 E 4.3499 8.7210 115.0182 56.4621 31.5146 176.4508 82 D 4.7769 8.2668 118.3538 54.3446 41.0269 177.9605 83 F 4.0131 8.4026 119.8813 60.1919 39.0159 175.3908 84 P 4.4330 0.0000 0.0000 65.6922 31.2763 178.8803 85 G 3.7063 8.1816 103.9658 47.6868 0.0000 175.2059 86 F 4.2051 8.4375 123.0280 61.2732 39.4171 176.9383 87 N 4.0728 8.4860 116.2304 56.0835 38.0767 176.8817 88 E 3.9342 8.0158 119.6885 59.4369 30.0908 178.8915 89 V 3.7938 7.6143 117.6428 66.1120 31.7448 177.0643 90 Y 3.9706 8.0600 119.4048 60.8975 38.3336 178.2089 91 A 4.4875 8.5027 121.0689 54.8761 18.2219 179.5431 92 R 3.8080 8.0046 115.8567 58.5365 30.2590 177.0076 93 Y 3.9279 7.6754 114.1175 57.9088 38.4719 175.1808 94 F 4.9505 7.4627 117.5587 55.6637 42.7416 174.2253 95 T 4.3399 7.7524 110.9133 58.7757 71.6542 171.9833 96 P 4.2333 0.0000 0.0000 62.5510 31.8585 174.3492 97 P 4.5391 0.0000 0.0000 62.5138 32.2034 175.8727 98 Y 4.1928 8.5181 119.5908 56.9554 38.7317 173.4686 99 P 4.6089 0.0000 0.0000 62.1077 32.6389 176.0950 100 A 4.3545 8.7303 123.4472 52.3840 19.6536 176.6204 101 R 5.1583 8.1649 117.8365 55.0893 33.7023 174.1123 102 A 4.6758 8.5434 125.2916 50.5384 22.2604 175.1365 103 T 4.8926 8.4923 118.5192 61.9037 71.9980 173.8806 104 V 4.7830 8.3270 117.3260 60.0089 36.8661 173.3614 105 A 5.0796 8.7461 124.3546 50.8219 20.8206 176.7655 106 V 4.4144 8.9016 115.3165 59.0725 35.3606 177.1483 107 K 3.9616 8.7453 121.6947 59.3692 32.1347 176.3904 108 A 4.5895 7.3408 117.4479 51.1482 21.9880 174.5296 109 L 4.8155 7.9573 118.4286 51.5990 45.6877 174.5646 110 P 4.4227 0.0000 0.0000 64.4713 31.5668 177.2978 111 R 3.8826 9.4228 119.0066 56.6348 27.6620 176.5885 112 G 3.8866 8.1807 104.2344 46.4660 0.0000 174.9314 113 V 3.9356 7.3255 112.4750 60.9839 32.4641 176.4931 114 R 4.4519 8.4004 119.0919 57.9788 31.2370 176.9729 115 V 4.8938 7.5045 116.5806 60.2704 34.3371 173.8359 116 E 4.9246 9.1694 123.3177 54.8022 33.3778 173.9505 117 V 4.9117 8.9701 126.1281 61.1938 34.6642 174.2166 118 A 5.4126 8.8848 129.2248 50.7793 22.6367 174.2533 119 C 5.0947 8.4489 112.3531 57.6148 33.8632 172.8823 120 V 4.7922 8.9757 118.7565 61.0834 34.2315 174.1153 121 A 5.2588 8.7735 127.9756 49.9213 23.1871 174.8071 122 L 4.3911 8.6840 119.4282 54.4951 41.8059 177.9871 123 A 4.1318 8.8294 125.3181 53.8316 19.1557 177.6104 124 E 4.1809 7.8932 118.8139 56.5668 30.1634 175.7500 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 E 8.30 4.43 0.00 2.11 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 2.30 2.35 0.00 3 A 8.73 4.50 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 4 V 8.84 4.38 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 0.82 0.00 0.00 1.01 0.00 0.00 5 K 8.55 4.93 0.00 1.75 1.61 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.41 7.81 6 T 9.46 4.68 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 1.25 0.00 0.00 7 D 8.59 4.65 0.00 2.82 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 8 R 7.89 4.22 0.00 1.85 2.02 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 9 A 7.44 4.80 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 10 P 0.00 4.48 0.00 2.22 2.32 0.00 3.80 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 2.03 2.13 0.00 11 A 8.30 4.10 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 12 A 8.25 4.02 0.32 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 13 I 7.86 4.35 1.90 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 1.40 0.90 0.93 0.00 0.00 14 G 6.85 4.12 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 0.00 0.00 0.00 15 P 0.00 4.60 0.00 2.22 2.11 0.00 3.88 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 2.07 1.98 0.00 16 Y 6.86 4.83 0.00 3.01 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 17 A 8.44 4.56 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 18 Q 8.76 4.47 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 19 A 7.72 5.13 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 20 V 9.01 4.90 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 0.95 0.00 0.00 1.00 0.00 0.00 21 K 9.10 5.19 0.00 1.69 1.78 0.00 1.82 0.00 0.00 1.96 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 A 9.67 4.44 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 23 G 10.17 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 0.00 0.00 0.00 0.00 24 G 8.52 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 25 F 8.10 5.28 0.00 2.81 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 0.00 0.00 0.00 26 V 8.80 4.72 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 1.03 0.00 0.00 0.94 0.00 0.00 27 F 9.59 4.83 0.00 3.01 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 28 V 8.74 4.70 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 1.06 0.00 0.00 0.98 0.00 0.00 29 S 8.98 4.53 0.00 3.98 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 30 G 8.30 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 9.39 4.73 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 32 I 8.18 4.98 1.89 0.00 0.00 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 1.46 0.71 0.92 0.00 0.00 33 P 0.00 4.71 0.00 2.31 2.49 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 34 L 7.52 4.99 0.00 1.66 1.62 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.90 4.41 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 36 P 0.00 4.50 0.00 2.06 2.34 0.00 3.68 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 2.04 2.20 0.00 37 D 8.06 4.54 0.00 2.77 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 38 G 8.53 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.42 4.41 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.43 4.51 0.00 1.69 1.61 0.93 0.96 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 41 V 8.77 4.12 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 0.83 0.00 0.00 0.94 0.00 0.00 42 E 9.62 4.45 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 43 G 8.23 3.73 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 0.00 0.00 0.00 44 D 8.29 4.68 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.27 3.74 2.23 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 1.96 1.59 0.98 0.00 0.00 46 R 8.29 3.99 0.00 2.22 2.00 0.00 3.22 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 47 V 8.16 3.68 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 48 Q 8.19 4.05 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 49 T 8.22 4.03 4.34 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 1.26 0.00 0.00 50 E 7.97 4.04 0.00 2.14 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 2.39 2.48 0.00 51 R 7.81 4.07 0.00 1.94 2.09 0.00 3.21 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 52 V 7.64 3.68 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.02 0.00 0.00 *54 E 8.15 4.24 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 2.54 2.33 0.00 55 N 8.22 4.35 0.00 2.91 2.88 0.00 0.00 6.98 6.31 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 56 L 8.03 3.97 0.00 1.60 1.72 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.96 3.86 0.00 1.80 1.98 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 58 A 8.10 3.98 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 59 V 8.06 3.57 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 1.08 0.00 0.00 1.02 0.00 0.00 60 L 8.20 4.04 0.00 1.92 1.81 0.98 1.27 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 61 E 8.70 4.26 0.00 2.02 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 2.32 2.34 0.00 62 A 7.81 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 63 A 7.60 4.42 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 64 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 65 S 7.71 4.89 0.00 3.81 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 66 G 8.04 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 0.00 0.00 0.00 67 L 8.12 4.06 0.00 1.60 1.43 0.83 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.04 4.40 0.00 3.97 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 69 R 7.99 4.40 0.00 2.03 2.10 0.00 3.37 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 70 V 7.53 4.08 2.40 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 0.78 0.00 0.00 1.13 0.00 0.00 71 V 8.78 4.38 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 0.78 0.00 0.00 1.01 0.00 0.00 72 Q 7.79 5.12 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 73 T 8.94 5.16 4.41 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 1.30 0.00 0.00 74 T 9.00 4.63 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 0.94 0.00 0.00 75 C 8.72 5.01 0.00 2.46 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 0.00 0.00 0.00 0.00 76 F 8.95 5.25 0.00 2.89 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 77 L 8.77 5.20 0.00 1.27 1.30 -0.13 0.41 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 78 A 8.37 4.54 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 79 D 7.39 4.38 0.00 2.64 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 *81 E 8.72 4.35 0.00 2.17 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 2.24 2.49 0.00 82 D 8.27 4.78 0.00 2.88 2.71 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 83 F 8.40 4.01 0.00 3.10 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 84 P 0.00 4.43 0.00 2.23 2.16 0.00 3.83 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 85 G 8.18 3.71 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 0.00 0.00 0.00 86 F 8.44 4.21 0.00 3.05 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 87 N 8.49 4.07 0.00 2.96 2.86 0.00 0.00 6.72 8.07 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 88 E 8.02 3.93 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 89 V 7.61 3.79 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 1.06 0.00 0.00 1.11 0.00 0.00 90 Y 8.06 3.97 0.00 2.36 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 91 A 8.50 4.49 1.55 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 92 R 8.00 3.81 0.00 1.82 1.78 0.00 3.22 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.01 0.00 93 Y 7.68 3.93 0.00 2.50 2.34 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 94 F 7.46 4.95 0.00 2.99 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 95 T 7.75 4.34 4.13 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 1.11 0.00 0.00 96 P 0.00 4.23 0.00 2.09 2.17 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.56 0.00 97 P 0.00 4.54 0.00 2.20 2.07 0.00 3.73 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 1.98 1.99 0.00 98 Y 8.52 4.19 0.00 2.93 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 99 P 0.00 4.61 0.00 1.75 1.93 0.00 3.38 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.86 0.00 100 A 8.73 4.35 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 0.00 101 R 8.16 5.16 0.00 1.74 1.67 0.00 2.70 0.00 0.00 2.72 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 102 A 8.54 4.68 1.08 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 0.00 0.00 103 T 8.49 4.89 4.27 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 0.67 0.00 0.00 104 V 8.33 4.78 2.16 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 0.68 0.00 0.00 1.02 0.00 0.00 105 A 8.75 5.08 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 0.00 106 V 8.90 4.41 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 0.95 0.00 0.00 0.96 0.00 0.00 107 K 8.75 3.96 0.00 1.70 1.81 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 108 A 7.34 4.59 1.18 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 0.00 0.00 109 L 7.96 4.82 0.00 1.76 1.50 0.97 0.94 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 0.00 110 P 0.00 4.42 0.00 2.18 1.99 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 111 R 9.42 3.88 0.00 1.97 2.03 0.00 3.49 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 112 G 8.18 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.33 3.94 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 0.74 0.00 0.00 1.04 0.00 0.00 114 R 8.40 4.45 0.00 1.78 1.96 0.00 3.22 0.00 0.00 3.56 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 115 V 7.50 4.89 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 0.70 0.00 0.00 0.93 0.00 0.00 116 E 9.17 4.92 0.00 2.04 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 2.29 2.26 0.00 117 V 8.97 4.91 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 0.92 0.00 0.00 1.20 0.00 0.00 118 A 8.88 5.41 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 0.00 119 C 8.45 5.09 0.00 3.26 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 0.00 120 V 8.98 4.79 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 0.48 0.00 0.00 0.88 0.00 0.00 121 A 8.77 5.26 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 0.00 122 L 8.68 4.39 0.00 1.52 1.52 0.91 0.82 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 0.00 123 A 8.83 4.13 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.89 4.18 0.00 1.84 1.78 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 2.15 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.