NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 H 4.6110 8.4444 117.3662 54.3176 28.4882 172.6203 5 D 4.4230 8.1306 126.1835 51.6828 42.8697 171.5997 6 E 4.1220 9.7841 122.9590 56.5649 31.1900 175.8013 7 R 5.2768 8.6420 125.2644 54.7501 32.9267 174.9740 8 T 4.7986 9.1071 116.2660 60.3651 71.6987 172.1473 9 F 5.2163 8.8658 129.1763 57.1702 41.3991 174.9031 10 V 4.6174 7.8275 124.0256 60.2676 35.2890 173.5766 11 M 4.8517 8.7699 122.7325 53.6561 35.6462 174.1017 12 V 4.1565 8.7611 127.4768 62.7238 32.8710 176.0320 13 K 4.5379 9.0744 128.3828 55.1551 33.3572 176.4526 14 P 4.4825 0.0000 0.0000 65.1403 30.9446 178.5676 15 D 4.5508 8.3549 117.6029 56.6107 39.2137 178.6792 16 G 3.6722 8.2076 106.7597 47.4680 0.0000 175.6546 17 V 3.6280 7.8038 120.4178 65.9063 31.4381 177.9036 18 Q 4.0803 8.0874 116.6624 59.1621 28.7236 178.7039 19 R 4.4111 8.0486 115.5149 55.7851 30.3150 176.7498 20 G 3.8203 7.9358 106.7760 46.7791 0.0000 174.4032 21 L 4.9628 7.6150 116.3700 53.3985 42.6017 178.7736 22 I 3.8091 7.8689 121.4418 64.6131 37.0540 178.3235 23 G 3.6147 7.9972 105.8315 47.9958 0.0000 175.1902 24 D 4.4725 7.9318 120.5522 57.0407 40.9080 178.7144 25 I 3.7398 7.4585 120.4950 64.1219 37.2828 178.4964 26 V 3.7632 8.0659 119.3154 66.4269 31.4069 178.1883 27 T 4.0855 8.4052 115.9061 66.8116 67.8803 176.8716 28 R 3.9881 7.9119 119.3461 58.7395 30.0368 179.1965 29 L 3.5690 7.3611 118.6947 57.6114 41.4885 179.2566 30 E 4.3971 8.2262 118.5283 59.7529 29.2363 179.4739 31 T 3.9310 7.8073 114.9664 66.3487 68.5407 176.1332 32 K 4.1187 7.5372 119.9569 57.4218 32.3050 177.5289 33 G 4.0194 7.8421 106.2742 45.0367 0.0000 173.4996 34 L 4.7126 7.4852 118.7253 53.9540 43.2266 175.9416 35 K 4.7728 9.3685 122.7990 54.9792 34.4689 174.7908 36 M 3.6506 8.7518 127.2664 55.1259 32.6193 175.8759 37 V 4.6132 8.6356 117.4762 61.0405 34.8026 175.4056 38 G 4.0755 7.1922 106.5571 44.6705 0.0000 172.0423 39 G 4.2823 8.7562 103.2036 45.2067 0.0000 173.0742 40 K 4.7544 8.5513 127.2547 55.3452 36.2096 174.0599 41 F 5.5240 9.2267 130.7069 57.4850 40.4314 174.3361 42 M 4.7519 8.4226 122.4474 54.3311 35.1918 173.1360 43 R 4.6430 8.2056 119.6410 54.5302 31.9052 175.5704 44 I 3.8762 8.2471 127.7399 60.7658 37.6235 176.2924 45 D 4.6578 8.3191 126.0002 52.5361 41.8023 176.7856 46 E 4.0566 8.6728 121.8755 59.8338 29.5426 179.0334 47 E 3.9612 8.0663 118.0770 61.0569 29.8471 181.1906 48 L 3.9404 8.1512 121.5222 57.8588 42.1319 178.9224 49 A 3.9808 8.0393 120.5754 54.8481 18.1381 179.3350 50 H 4.2388 8.2448 114.5248 59.1936 28.9622 177.4200 51 E 4.1250 8.3307 120.2629 59.8627 29.1295 178.9161 52 H 4.1678 8.1364 116.8324 58.5184 29.9142 175.3234 53 Y 5.1032 7.7740 116.2818 57.6735 38.8167 177.2037 54 A 4.1031 8.0709 126.4776 55.4292 18.4103 180.7860 55 E 3.9807 8.3041 111.6759 59.0772 29.6937 177.3128 56 H 4.8036 8.3222 115.8030 55.3314 29.2210 175.9692 57 E 2.0000 7.8590 122.8757 58.4789 29.4318 178.0201 58 D 4.2752 7.7994 119.6893 56.1843 40.0434 177.6512 59 K 4.0463 7.5658 121.1216 53.0998 32.2673 179.5994 60 P 4.3003 0.0000 0.0000 65.3959 31.5300 177.6544 61 F 4.5964 7.1864 111.1351 57.2998 38.8998 176.9640 62 F 4.1094 7.7231 124.4577 62.0166 39.0931 176.5357 63 D 4.3538 8.3714 117.6738 57.5255 40.6077 179.1100 64 G 3.6764 8.0619 105.4903 47.3044 0.0000 175.4864 65 L 4.0087 8.1140 122.8190 58.2925 41.9873 179.5343 66 V 3.7149 7.7952 112.5413 63.9686 31.1428 178.6910 67 S 4.1100 7.7074 112.0926 61.1637 62.5235 175.3509 68 F 4.5855 8.4536 123.6830 61.6709 38.9347 176.9925 69 I 3.3437 7.7904 116.4695 62.9724 37.8353 176.2452 70 T 4.4489 7.6661 109.6867 61.7708 69.0440 175.7468 71 S 4.4409 8.0065 116.7222 58.2159 63.4717 173.8255 72 G 3.9380 6.8453 108.9350 44.2733 0.0000 171.4962 73 P 4.4188 0.0000 0.0000 62.9156 32.6887 175.3570 74 V 4.5009 8.6594 113.3617 59.4724 36.2472 174.4741 75 F 5.3153 8.6994 123.3557 56.7796 41.4511 173.5918 76 A 4.7476 8.6363 129.1850 50.6374 21.2078 175.4433 77 M 5.1150 8.6487 120.3616 53.6752 37.3509 174.3247 78 V 4.8561 8.0353 119.6648 60.9866 35.3331 174.3182 79 W 5.2254 9.1579 126.2301 54.8494 33.2646 173.8466 80 E 5.7185 10.2524 124.4883 52.7101 32.4937 174.8059 81 G 4.5640 8.8797 115.1574 43.7857 0.0000 172.1964 82 A 3.8007 7.4705 124.2449 53.8728 18.9823 177.4949 83 D 4.4535 8.8247 121.4286 54.9902 40.1865 175.5491 84 A 4.1628 8.0279 120.7039 55.1311 18.7169 179.4172 85 T 3.9141 8.2566 115.6995 66.3652 68.5814 176.8275 86 R 3.6800 7.8514 119.9584 59.2431 30.2042 178.1826 87 Q 3.9758 8.5352 118.3993 58.9798 28.7204 179.1063 88 V 3.5292 7.9476 119.2823 65.9684 31.4303 178.3637 89 R 3.9853 8.0758 117.8224 59.1724 29.5942 179.0114 90 Q 4.0493 7.7731 117.3495 58.6665 29.0526 178.1559 91 L 4.0964 8.0915 119.8758 57.5744 41.6073 179.0945 92 M 4.0892 8.0539 118.2507 56.6203 32.3193 177.5812 93 G 4.0760 7.9903 106.8316 44.2758 0.0000 172.6509 94 A 4.1312 8.3721 121.3603 52.2424 19.0810 177.8064 95 T 3.9195 8.7992 119.4976 66.7297 68.7120 174.2201 96 D 4.4496 7.9799 122.5760 53.2297 41.1368 176.5421 97 A 4.0158 8.3509 130.9555 55.0626 18.5603 178.9082 98 Q 4.1951 8.1139 113.3137 57.6656 28.7002 176.2125 99 D 4.7797 8.0391 115.7079 53.4055 42.6276 175.6627 100 A 4.3635 7.5002 120.0180 52.5542 19.2695 177.2150 101 A 4.3877 8.4494 122.0523 50.5218 20.4053 175.4317 102 P 4.3059 0.0000 0.0000 64.1137 31.5767 175.5692 103 G 4.0550 9.7302 111.4860 45.9928 0.0000 174.9764 104 T 4.4297 7.6124 109.6748 60.7702 70.8102 175.8111 105 I 3.9328 8.4717 123.0339 64.7360 37.0728 179.0228 106 R 4.2555 8.1707 118.8338 58.8353 29.8320 179.2044 107 G 3.6218 7.9434 104.9519 47.7657 0.0000 175.1619 108 D 4.3871 8.0932 120.2557 56.1372 40.9925 176.8450 109 Y 4.6922 7.7793 113.3899 57.2207 40.2907 175.5948 110 G 4.3956 8.0091 107.1638 43.9616 0.0000 171.9790 111 N 4.9818 8.3139 116.8740 51.6880 39.0630 173.2540 112 D 4.5870 7.9104 113.7718 53.2185 44.4545 174.6796 113 L 4.2237 8.3291 123.5683 56.5492 43.3138 178.0789 114 G 3.5163 8.0584 106.3040 48.7205 0.0000 174.2903 115 H 4.3341 7.7041 119.8385 53.7242 27.1503 174.7229 116 N 5.0100 8.1138 121.3729 52.2793 38.4492 176.4639 117 L 4.2483 10.5105 123.3260 55.7655 41.0415 174.1619 118 I 4.9258 7.4668 114.4404 60.5042 41.4805 173.1556 119 H 5.0551 9.6378 126.1513 54.4339 33.1111 172.4719 120 G 4.4556 8.0691 109.7308 44.3484 0.0000 172.4200 121 S 4.7589 8.4427 117.4260 57.7661 63.9912 174.0612 122 D 4.6149 8.7659 123.1310 53.4798 40.8605 176.8041 123 H 4.3202 8.9925 123.4404 58.3407 28.6302 176.2989 124 E 4.0008 7.8074 117.7128 57.2522 29.8492 175.8595 125 D 4.5694 7.7903 119.5629 52.0721 40.8728 175.0117 126 E 4.0670 8.6288 128.6015 57.8343 30.0882 176.7099 127 G 3.9025 9.1049 113.7283 46.4304 0.0000 174.7299 128 A 4.0127 8.2687 123.8187 55.1299 18.2751 179.6771 129 N 4.2606 8.4043 114.8058 56.8813 36.9673 176.5729 130 E 3.9507 8.1937 120.5569 58.6924 29.7618 179.4677 131 R 3.9096 7.8840 117.9450 59.4173 29.6564 178.5038 132 E 3.9154 8.6315 118.7003 59.4079 29.4544 178.8596 133 I 3.7810 7.9046 119.8460 64.8873 37.0449 178.1266 134 A 4.0199 7.9363 119.6955 54.9737 18.1937 179.2527 135 L 3.9291 7.7089 118.1685 58.3720 42.3348 178.7340 136 F 4.2076 8.1690 115.6618 57.5235 39.5135 176.0510 137 F 4.9870 8.1321 116.8669 55.4577 41.6659 174.9948 138 D 4.7180 8.6145 124.6029 53.9124 41.3918 177.3038 139 D 4.6267 8.5399 120.5976 56.2942 41.0014 177.3822 140 D 4.5435 8.0685 117.7823 54.8423 39.8640 176.6194 141 E 4.5673 7.9875 117.9675 56.2160 30.4608 175.9097 142 L 4.5041 7.7731 119.2751 54.2538 42.8212 176.2435 143 V 4.3578 8.7084 122.9828 61.2756 33.6303 174.7599 144 D 5.0100 8.9202 128.4496 52.9049 41.0545 175.6513 145 W 5.2430 8.5641 119.3643 54.8813 31.4057 174.0975 146 D 4.3849 8.6717 119.0542 52.6070 41.3303 176.6754 147 R 4.2077 7.6025 125.6807 54.7293 29.7003 176.0866 148 D 4.3767 8.9068 126.7855 57.5944 41.1921 179.1587 149 A 4.2452 8.1907 119.6592 54.4040 18.2319 179.4028 150 S 4.0750 8.2804 114.1353 61.9712 62.6444 176.7532 151 A 3.8945 8.0243 122.4343 53.9293 18.1562 178.7202 152 W 4.6137 7.8665 115.7186 57.7601 29.9807 178.4365 153 V 3.6514 7.6694 117.6524 64.1790 31.2574 175.1056 154 Y 4.9229 6.8602 113.9498 55.7040 41.4639 175.0454 155 E 4.1076 8.7967 121.0258 56.6214 29.7883 176.4574 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 *4 H 8.44 4.61 0.00 2.95 2.98 0.00 7.17 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.13 4.42 0.00 2.60 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 6 E 9.78 4.12 0.00 2.05 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 0.00 2.33 2.31 0.00 7 R 8.64 5.28 0.00 1.71 1.80 0.00 3.19 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 8 T 9.11 4.80 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 1.31 0.00 0.00 9 F 8.87 5.22 0.00 3.21 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 10 V 7.83 4.62 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 0.79 0.00 0.00 0.88 0.00 0.00 11 M 8.77 4.85 0.00 1.79 1.40 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 12 V 8.76 4.16 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 0.92 0.00 0.00 1.08 0.00 0.00 13 K 9.07 4.54 0.00 2.01 1.58 0.00 2.02 0.00 0.00 1.96 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.49 7.81 14 P 0.00 4.48 0.00 1.83 2.05 0.00 2.87 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 15 D 8.35 4.55 0.00 2.98 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 16 G 8.21 3.67 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 0.00 0.00 0.00 17 V 7.80 3.63 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 1.25 0.00 0.00 1.08 0.00 0.00 18 Q 8.09 4.08 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 19 R 8.05 4.41 0.00 1.90 2.00 0.00 3.27 0.00 0.00 3.29 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 20 G 7.94 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.61 4.96 0.00 1.75 1.33 0.75 0.55 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 22 I 7.87 3.81 1.77 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 1.67 0.69 0.68 0.00 0.00 23 G 8.00 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 24 D 7.93 4.47 0.00 2.54 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 25 I 7.46 3.74 2.09 0.00 0.00 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 1.32 0.74 0.90 0.00 0.00 26 V 8.07 3.76 2.19 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 1.38 0.00 0.00 1.27 0.00 0.00 27 T 8.41 4.09 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 1.23 0.00 0.00 28 R 7.91 3.99 0.00 1.79 1.92 0.00 3.16 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 29 L 7.36 3.57 0.00 0.35 0.13 -0.11 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.23 4.40 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 2.87 2.92 0.00 31 T 7.81 3.93 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 32 K 7.54 4.12 0.00 1.77 1.94 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.45 7.81 33 G 7.84 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.49 4.71 0.00 1.71 1.89 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 K 9.37 4.77 0.00 1.59 1.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.15 0.95 7.81 36 M 8.75 3.65 0.00 1.83 0.87 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.21 0.00 37 V 8.64 4.61 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 0.76 0.00 0.00 0.82 0.00 0.00 38 G 7.19 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.76 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 40 K 8.55 4.75 0.00 1.66 1.42 0.00 1.48 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.36 1.34 7.81 41 F 9.23 5.52 0.00 3.23 3.07 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 0.00 0.00 0.00 42 M 8.42 4.75 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 43 R 8.21 4.64 0.00 1.76 1.79 0.00 3.20 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 44 I 8.25 3.88 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 0.86 0.00 0.00 45 D 8.32 4.66 0.00 2.91 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 46 E 8.67 4.06 0.00 2.07 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 2.49 2.41 0.00 47 E 8.07 3.96 0.00 2.01 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 2.31 1.93 0.00 48 L 8.15 3.94 0.00 1.67 1.74 0.26 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.04 3.98 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 50 H 8.24 4.24 0.00 3.32 3.52 0.00 5.86 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 51 E 8.33 4.12 0.00 2.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 52 H 8.14 4.17 0.00 2.98 2.97 0.00 5.90 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.77 5.10 0.00 3.42 3.07 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 0.00 0.00 0.00 54 A 8.07 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 55 E 8.30 3.98 0.00 2.05 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 0.00 2.22 1.94 0.00 56 H 8.32 4.80 0.00 3.45 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.86 2.00 0.00 1.60 1.65 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 1.98 1.47 0.00 58 D 7.80 4.28 0.00 2.73 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 59 K 7.57 4.05 0.00 1.72 1.72 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.28 7.81 60 P 0.00 4.30 0.00 2.09 2.16 0.00 3.44 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 61 F 7.19 4.60 0.00 3.18 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.72 4.11 0.00 3.12 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 63 D 8.37 4.35 0.00 2.78 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 64 G 8.06 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 65 L 8.11 4.01 0.00 1.95 1.72 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.80 3.71 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.87 0.00 0.00 67 S 7.71 4.11 0.00 3.94 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 0.00 68 F 8.45 4.59 0.00 3.14 3.26 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 69 I 7.79 3.34 2.25 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 1.59 0.82 1.03 0.00 0.00 70 T 7.67 4.45 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 1.30 0.00 0.00 71 S 8.01 4.44 0.00 4.06 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 6.85 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 73 P 0.00 4.42 0.00 1.25 1.91 0.00 3.61 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 2.02 2.03 0.00 74 V 8.66 4.50 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 0.58 0.00 0.00 0.95 0.00 0.00 75 F 8.70 5.32 0.00 3.28 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 8.64 4.75 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 M 8.65 5.12 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.90 0.00 78 V 8.04 4.86 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 0.97 0.00 0.00 -0.03 0.00 0.00 79 W 9.16 5.23 0.00 3.31 3.08 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 80 E 10.25 5.72 0.00 1.95 1.70 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 2.14 2.14 0.00 81 G 8.88 4.56 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 82 A 7.47 3.80 1.14 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 0.00 0.00 83 D 8.82 4.45 0.00 2.88 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 84 A 8.03 4.16 1.49 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 0.00 0.00 85 T 8.26 3.91 4.32 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 1.35 0.00 0.00 86 R 7.85 3.68 0.00 1.58 1.90 0.00 3.14 0.00 0.00 3.74 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 87 Q 8.54 3.98 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 88 V 7.95 3.53 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 0.93 0.00 0.00 0.82 0.00 0.00 89 R 8.08 3.99 0.00 2.00 2.02 0.00 3.34 0.00 0.00 3.44 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 90 Q 7.77 4.05 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 91 L 8.09 4.10 0.00 1.62 1.66 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.05 4.09 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 93 G 7.99 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.37 4.13 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 95 T 8.80 3.92 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 1.19 0.00 0.00 96 D 7.98 4.45 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 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 98 Q 8.11 4.20 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 99 D 8.04 4.78 0.00 2.54 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.50 4.36 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 0.00 101 A 8.45 4.39 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 0.00 102 P 0.00 4.31 0.00 1.92 1.96 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 103 G 9.73 4.05 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 0.00 0.00 0.00 104 T 7.61 4.43 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 105 I 8.47 3.93 1.91 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 1.58 1.15 0.97 0.00 0.00 106 R 8.17 4.26 0.00 2.01 1.99 0.00 3.32 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 107 G 7.94 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 0.00 108 D 8.09 4.39 0.00 2.44 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 0.00 0.00 0.00 0.00 109 Y 7.78 4.69 0.00 3.21 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 0.00 110 G 8.01 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 0.00 0.00 0.00 0.00 111 N 8.31 4.98 0.00 2.62 2.72 0.00 0.00 6.74 8.47 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 0.00 112 D 7.91 4.59 0.00 2.71 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 0.00 113 L 8.33 4.22 0.00 1.87 1.56 0.81 0.87 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 0.00 114 G 8.06 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 7.70 4.33 0.00 3.16 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.11 5.01 0.00 2.85 3.22 0.00 0.00 6.26 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 0.00 117 L 10.51 4.25 0.00 1.98 1.99 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.47 4.93 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 1.10 0.54 0.92 0.00 0.00 119 H 9.64 5.06 0.00 3.38 3.12 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 0.00 120 G 8.07 4.46 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 0.00 121 S 8.44 4.76 0.00 3.92 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 0.00 122 D 8.77 4.61 0.00 2.82 2.62 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 0.00 123 H 8.99 4.32 0.00 3.34 3.43 0.00 5.57 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 0.00 124 E 7.81 4.00 0.00 2.08 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 2.28 2.06 0.00 125 D 7.79 4.57 0.00 2.75 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 0.00 126 E 8.63 4.07 0.00 1.96 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 2.30 2.39 0.00 127 G 9.10 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 0.00 128 A 8.27 4.01 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 0.00 129 N 8.40 4.26 0.00 3.24 3.17 0.00 0.00 6.18 7.66 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 0.00 130 E 8.19 3.95 0.00 2.05 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 2.42 2.41 0.00 131 R 7.88 3.91 0.00 1.98 2.14 0.00 3.10 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 1.68 0.00 132 E 8.63 3.92 0.00 1.93 1.77 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 2.37 2.70 0.00 133 I 7.90 3.78 2.14 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 1.50 0.90 0.92 0.00 0.00 134 A 7.94 4.02 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 0.00 135 L 7.71 3.93 0.00 1.71 1.78 0.79 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.17 4.21 0.00 2.84 2.89 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 0.00 137 F 8.13 4.99 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.61 4.72 0.00 2.71 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 0.00 139 D 8.54 4.63 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.54 0.00 2.80 2.81 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 0.00 141 E 7.99 4.57 0.00 2.31 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 2.31 2.54 0.00 142 L 7.77 4.50 0.00 1.54 1.56 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.71 4.36 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 0.71 0.00 0.00 0.89 0.00 0.00 144 D 8.92 5.01 0.00 2.63 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 0.00 145 W 8.56 5.24 0.00 3.53 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.67 4.38 0.00 2.70 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 0.00 147 R 7.60 4.21 0.00 0.67 1.45 0.00 3.20 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 148 D 8.91 4.38 0.00 2.83 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.19 4.25 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 0.00 150 S 8.28 4.08 0.00 4.02 4.05 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 0.00 151 A 8.02 3.89 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 152 W 7.87 4.61 0.00 3.44 3.30 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 0.00 153 V 7.67 3.65 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 0.07 0.00 0.00 0.88 0.00 0.00 154 Y 6.86 4.92 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.80 4.11 0.00 1.96 1.85 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 2.28 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.