NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.3258 8.2493 123.5839 51.6708 20.1302 176.5799 17 N 4.4849 8.3119 116.7941 51.5418 39.3826 173.3865 18 P 4.2787 0.0000 0.0000 66.1647 31.7810 179.7114 19 N 4.3643 8.2458 114.3530 56.5289 38.4798 177.0610 20 E 3.9843 8.7239 120.3118 58.9276 29.6730 178.7370 21 A 3.9306 8.3512 121.3958 55.0492 18.2682 178.7497 22 Y 4.1393 8.1748 117.2053 61.1736 38.9692 178.2126 23 R 4.0408 7.6607 117.4661 59.6096 30.4867 178.2923 24 H 4.2040 7.8846 117.8173 59.3357 29.9276 178.8553 25 Y 4.1529 7.4514 116.8877 58.1112 37.7198 178.2352 *27 K 4.1119 8.0656 123.1218 56.3605 34.4419 177.5694 28 K 4.0194 8.1099 119.7277 59.5159 31.8766 178.8207 29 L 4.1023 8.0069 118.7127 57.4133 41.5818 179.0686 30 S 4.1759 7.5525 111.2849 59.8486 63.3357 174.0567 31 Y 4.9285 8.0519 118.2593 57.7691 39.4534 174.5919 32 E 5.2701 8.0433 115.9655 55.2603 33.8134 174.7346 33 T 4.7184 8.4908 113.2476 61.0233 71.4678 172.8495 34 D 5.1222 8.6189 128.0745 52.1193 42.2415 177.2399 35 I 3.8558 8.5959 118.3247 64.6726 37.0747 178.0050 36 A 3.9817 8.0996 120.7801 55.6785 18.1444 179.2107 37 D 4.3370 8.5541 116.7835 57.3739 40.9283 178.9210 38 L 4.0393 8.1666 121.0592 58.2421 42.0936 179.1923 39 S 4.5699 8.7555 114.6345 61.5360 62.7991 176.6536 40 I 3.7113 7.7464 122.8819 64.3984 36.9133 177.9949 41 D 4.4878 8.1192 119.6997 57.5222 40.6423 179.1671 42 I 3.7701 8.0291 120.1781 64.2721 36.9606 178.3580 43 K 3.9929 8.3005 119.6058 59.3725 32.1790 178.2516 44 K 4.3323 8.5213 116.1692 55.9528 32.3438 177.0228 45 G 3.8811 7.9757 107.3685 46.4736 0.0000 173.5592 46 Y 4.3149 8.5436 121.6327 57.6640 39.0941 175.3433 47 E 4.3919 8.4086 126.2187 56.3612 30.1482 176.3424 48 G 3.6632 5.7203 104.6548 45.8343 0.0000 173.6352 49 I 5.6086 7.0762 112.2915 57.8023 41.4684 175.1470 50 I 4.3469 7.9806 122.7489 59.3838 40.2424 174.7680 51 V 4.2342 8.2504 128.4113 62.3957 32.7557 174.7092 52 V 4.5988 8.7638 128.4702 61.0138 34.4547 173.7332 53 D 3.4786 8.7519 129.0124 53.0010 41.8526 176.2816 54 V 4.6077 7.6137 118.8138 60.8887 32.8925 177.1937 55 R 4.2871 8.0043 122.0617 55.0129 31.7640 175.5036 56 D 4.5355 8.5419 117.5119 54.5293 42.6921 177.2647 57 A 3.9853 8.6627 124.3854 55.6037 18.4402 179.9522 58 E 3.9766 8.2633 116.9512 59.2787 29.8298 178.7021 59 A 4.1501 8.0367 120.5090 55.2233 18.2966 178.7900 60 Y 3.9037 7.7873 116.9865 60.8278 39.2381 177.7225 61 K 4.0838 8.3701 120.5126 59.7199 32.1876 178.5515 62 E 4.4520 8.1289 119.5847 57.6350 29.4263 176.5050 63 C 5.1535 7.6265 117.5125 58.6675 35.0760 172.7714 64 H 4.9189 8.6923 120.8674 54.0898 32.4611 172.5041 65 I 3.8330 8.3971 120.1225 59.9291 37.9834 174.4437 66 P 4.3190 0.0000 0.0000 64.5108 31.5838 176.8997 67 T 3.4208 8.7153 110.5206 61.5571 67.4725 171.6858 68 A 4.7123 7.7082 124.1264 51.8773 19.5402 176.8540 69 I 4.5003 8.5262 113.1709 59.0860 41.4198 174.1250 70 S 4.4878 7.7857 117.2552 56.6574 63.8505 174.0250 71 I 4.3886 8.2166 127.8602 58.6551 39.9013 171.8789 72 P 4.6224 0.0000 0.0000 61.9928 31.9257 177.1209 73 G 3.8435 9.1422 114.5061 48.9843 0.0000 174.8511 74 N 4.6464 8.0608 113.5814 53.0052 37.3115 175.2113 75 K 4.3815 8.1929 116.8884 56.2091 33.0680 175.9978 76 I 3.7081 7.2947 121.5877 60.9445 36.5979 174.8468 77 N 4.7648 8.0181 121.9193 51.4460 39.7481 174.9881 78 E 4.1090 8.6979 115.4699 59.4129 29.7054 179.0548 79 D 4.4934 8.1762 118.5899 57.1206 41.0848 176.9611 80 T 4.1993 8.6645 111.4795 62.8049 67.7019 174.6359 81 T 4.6209 7.5601 108.3819 61.4095 69.6647 175.6096 82 K 4.0315 7.5653 122.8391 60.2196 32.2931 177.7806 83 R 4.3335 7.9011 115.2986 56.0790 30.5043 175.8211 84 L 4.4631 8.0926 120.0007 53.4096 42.7047 176.4547 85 S 4.3170 8.5988 118.5109 58.1604 62.8456 174.3914 86 K 4.3067 8.5986 125.7623 57.3761 31.8964 177.2132 87 E 4.3378 8.0166 118.1521 56.5927 29.9000 175.9350 88 K 4.7345 7.5619 117.9533 54.5421 35.5277 175.5761 89 V 4.4081 8.3396 122.0086 61.7315 33.2687 175.0225 90 I 4.2644 8.9434 129.4817 60.8783 38.7027 175.0409 91 I 5.0000 8.3213 127.3013 59.8953 39.5373 174.8979 92 T 5.0143 8.4912 118.3738 60.8554 71.4127 173.4107 93 Y 5.1408 8.0445 119.5548 56.4419 41.9741 173.1734 94 C 5.3480 8.5681 120.4958 55.5599 47.8609 173.2850 95 W 4.1802 9.3467 115.8719 59.4754 29.0625 176.4285 96 G 4.5611 7.9384 105.6961 45.0447 0.0000 171.2718 97 P 4.3309 0.0000 0.0000 65.2891 31.4179 176.4803 98 A 4.7611 7.9227 119.9195 52.2071 19.5034 177.0980 99 C 5.0208 7.8016 117.8549 55.8054 44.5789 173.9099 100 N 4.5828 8.6708 121.9018 53.5884 38.7925 177.3952 101 G 3.8849 8.0654 107.5111 48.1436 0.0000 175.0855 102 A 4.0319 8.0635 122.9885 55.0546 18.3161 179.7254 103 T 3.8362 7.8697 113.4977 66.6913 68.7044 177.0113 104 K 3.9734 8.5778 120.6661 59.2947 32.0098 179.2547 105 A 3.9723 8.6523 121.1904 55.1126 18.2716 179.2930 106 A 4.0581 8.4194 119.3619 55.4511 18.3174 179.4731 107 A 3.9436 7.7892 119.0712 55.4746 18.6305 179.8263 108 K 3.8086 7.9408 116.0939 59.8137 32.1163 179.6256 109 F 4.1451 8.4664 117.7798 60.4608 38.8052 177.6489 110 A 4.4318 8.5459 122.3424 54.7373 18.0111 179.4750 111 Q 4.0568 8.4223 117.3034 58.5764 29.1863 177.3140 112 L 4.4900 7.6462 117.6166 54.6192 41.9406 177.3419 113 G 3.8566 8.1224 107.4903 45.2669 0.0000 173.5544 114 F 4.7428 8.4797 118.3788 56.2601 41.5068 174.9402 115 R 4.9539 8.6025 120.1889 55.2800 31.5421 175.9675 116 V 5.0532 8.3733 122.2967 60.1236 34.8664 174.5955 117 K 5.0324 9.4122 121.6793 54.7040 36.4051 175.0119 118 E 5.0034 8.8810 121.4732 54.8792 31.9506 174.6576 119 L 4.9089 8.9422 125.3809 54.3710 43.3727 175.4106 120 I 4.2429 8.1405 121.1203 61.3156 38.2550 175.8216 121 G 4.0065 9.8599 114.1017 44.1949 0.0000 175.0589 122 G 4.2376 7.7811 108.7487 45.0531 0.0000 173.7200 123 I 3.5891 8.1734 116.9174 63.4759 37.6112 178.0581 124 E 3.8863 8.5315 120.9008 59.7698 29.5174 178.4321 125 Y 3.8460 8.2461 115.8344 59.8780 37.9816 177.7585 126 W 4.0684 7.9552 130.1755 60.2004 30.6972 178.2596 127 R 3.8121 8.3282 118.1659 59.2464 29.5135 178.9452 128 K 3.9453 7.9234 116.9927 59.0610 31.9305 177.6695 129 E 4.3665 7.7929 117.3862 55.6814 30.7031 175.4639 130 N 4.0011 8.1809 115.2542 54.4620 37.8690 174.3931 131 G 3.0109 7.2356 104.6198 43.9663 0.0000 174.1558 132 E 4.2640 8.5771 121.1839 55.9879 30.2635 176.6618 133 V 4.7294 8.1331 114.4511 59.6581 35.6363 174.3986 134 E 4.5455 8.9600 119.4596 54.7758 33.1917 175.0709 135 G 4.2735 8.5961 106.0487 43.3422 0.0000 174.1136 136 T 3.9837 8.7328 109.8304 64.5438 68.8190 176.3662 137 L 4.3163 8.0085 121.4474 53.4733 43.8654 177.8538 138 G 3.5388 7.9191 107.7202 46.5073 0.0000 175.4738 139 A 4.2211 8.7088 126.4960 53.2805 18.1162 178.1185 140 K 4.2200 7.9411 114.9567 56.8802 32.7635 177.2621 141 A 4.3147 7.7337 121.8845 51.3671 18.9607 177.0598 142 D 4.5597 8.5344 119.4244 54.7159 41.3947 176.9230 143 L 4.2396 8.3233 123.1488 56.0200 42.6496 176.5634 144 F 5.0053 7.5510 115.1827 54.6206 42.3364 174.5104 145 W 2.8715 7.9313 132.6808 57.0650 30.9497 174.9171 146 N 4.4020 7.2526 122.6075 51.4705 40.9882 173.8185 *148 K 4.1701 8.3917 116.6019 56.0912 33.9663 176.1085 149 K 3.9890 7.8322 123.3098 56.6537 31.9664 176.0390 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 16 A 8.25 4.33 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.31 4.48 0.00 3.11 2.97 0.00 0.00 5.89 6.88 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 18 P 0.00 4.28 0.00 2.20 2.22 0.00 3.63 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 2.15 2.26 0.00 19 N 8.25 4.36 0.00 2.91 2.90 0.00 0.00 6.71 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 20 E 8.72 3.98 0.00 2.06 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 2.29 2.33 0.00 21 A 8.35 3.93 1.54 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 0.00 0.00 22 Y 8.17 4.14 0.00 3.09 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 23 R 7.66 4.04 0.00 1.94 2.02 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.02 0.00 24 H 7.88 4.20 0.00 3.05 3.16 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 25 Y 7.45 4.15 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 K 8.07 4.11 0.00 1.89 2.00 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.61 1.57 7.81 28 K 8.11 4.02 0.00 1.82 1.97 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 29 L 8.01 4.10 0.00 1.71 1.67 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.55 4.18 0.00 3.66 3.77 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 31 Y 8.05 4.93 0.00 2.95 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 32 E 8.04 5.27 0.00 1.97 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 2.52 2.26 0.00 33 T 8.49 4.72 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 34 D 8.62 5.12 0.00 2.76 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 35 I 8.60 3.86 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.08 0.91 0.00 0.00 36 A 8.10 3.98 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 37 D 8.55 4.34 0.00 2.79 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 38 L 8.17 4.04 0.00 2.04 2.01 0.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.76 4.57 0.00 4.08 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 40 I 7.75 3.71 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.80 0.90 0.00 0.00 41 D 8.12 4.49 0.00 2.95 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 42 I 8.03 3.77 2.03 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.97 0.00 0.00 43 K 8.30 3.99 0.00 1.85 2.05 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 44 K 8.52 4.33 0.00 1.86 1.88 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.57 7.81 45 G 7.98 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 46 Y 8.54 4.31 0.00 2.80 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.41 4.39 0.00 1.82 1.79 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 2.16 2.41 0.00 48 G 5.72 3.66 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 0.00 0.00 0.00 49 I 7.08 5.61 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.83 1.08 0.00 0.00 50 I 7.98 4.35 1.69 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 1.17 1.03 0.79 0.00 0.00 51 V 8.25 4.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.89 0.00 0.00 52 V 8.76 4.60 1.87 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 0.86 0.00 0.00 0.72 0.00 0.00 53 D 8.75 3.48 0.00 2.53 2.42 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 54 V 7.61 4.61 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 1.00 0.00 0.00 0.89 0.00 0.00 55 R 8.00 4.29 0.00 1.75 1.79 0.00 2.78 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.31 0.00 56 D 8.54 4.54 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 57 A 8.66 3.99 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 58 E 8.26 3.98 0.00 2.17 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 2.45 2.67 0.00 59 A 8.04 4.15 1.44 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 0.00 0.00 0.00 60 Y 7.79 3.90 0.00 2.91 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 61 K 8.37 4.08 0.00 2.01 2.06 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.56 7.81 62 E 8.13 4.45 0.00 2.29 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 2.37 2.22 0.00 63 C 7.63 5.15 0.00 3.04 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 H 8.69 4.92 0.00 3.10 2.91 0.00 5.51 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.40 3.83 1.41 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.18 -0.26 0.00 0.00 66 P 0.00 4.32 0.00 2.03 2.01 0.00 3.40 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 67 T 8.72 3.42 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 1.21 0.00 0.00 68 A 7.71 4.71 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.53 4.50 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 0.87 0.00 0.00 70 S 7.79 4.49 0.00 2.72 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 71 I 8.22 4.39 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.90 0.80 0.00 0.00 72 P 0.00 4.62 0.00 2.00 1.96 0.00 3.81 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 2.06 2.01 0.00 73 G 9.14 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 74 N 8.06 4.65 0.00 2.81 2.90 0.00 0.00 5.81 7.13 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 75 K 8.19 4.38 0.00 1.73 1.75 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.45 7.81 76 I 7.29 3.71 1.57 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.52 -0.02 0.00 0.00 77 N 8.02 4.76 0.00 2.85 2.82 0.00 0.00 5.95 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 78 E 8.70 4.11 0.00 2.18 2.27 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 2.35 2.33 0.00 79 D 8.18 4.49 0.00 2.87 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 80 T 8.66 4.20 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 1.30 0.00 0.00 81 T 7.56 4.62 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 1.06 0.00 0.00 82 K 7.57 4.03 0.00 1.99 2.18 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.45 7.81 83 R 7.90 4.33 0.00 1.83 2.01 0.00 3.37 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 84 L 8.09 4.46 0.00 1.92 1.70 0.81 0.78 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 85 S 8.60 4.32 0.00 3.88 3.77 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 86 K 8.60 4.31 0.00 1.63 1.62 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.69 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.30 1.02 7.81 87 E 8.02 4.34 0.00 1.97 1.98 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 2.28 2.40 0.00 88 K 7.56 4.73 0.00 1.59 1.80 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.33 7.81 89 V 8.34 4.41 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 0.97 0.00 0.00 0.97 0.00 0.00 90 I 8.94 4.26 1.55 0.00 0.00 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 -0.36 -0.06 0.00 0.00 91 I 8.32 5.00 1.84 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 1.28 0.82 0.94 0.00 0.00 92 T 8.49 5.01 4.24 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 1.16 0.00 0.00 93 Y 8.04 5.14 0.00 2.93 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 94 C 8.57 5.35 0.00 3.08 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 95 W 9.35 4.18 0.00 3.47 3.42 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 96 G 7.94 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 97 P 0.00 4.33 0.00 2.19 2.21 0.00 3.97 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 98 A 7.92 4.76 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 99 C 7.80 5.02 0.00 3.04 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 0.00 100 N 8.67 4.58 0.00 2.74 2.81 0.00 0.00 6.92 7.60 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 0.00 101 G 8.07 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 0.00 102 A 8.06 4.03 1.44 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 0.00 0.00 0.00 103 T 7.87 3.84 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 1.20 0.00 0.00 104 K 8.58 3.97 0.00 1.89 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 105 A 8.65 3.97 1.45 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 0.00 0.00 106 A 8.42 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.79 3.94 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 0.00 108 K 7.94 3.81 0.00 1.77 1.69 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.59 7.81 109 F 8.47 4.15 0.00 3.31 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 0.00 110 A 8.55 4.43 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 0.00 111 Q 8.42 4.06 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 L 7.65 4.49 0.00 2.23 1.97 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.12 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.48 4.74 0.00 3.40 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 0.00 115 R 8.60 4.95 0.00 1.79 1.89 0.00 3.26 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 116 V 8.37 5.05 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 0.88 0.00 0.00 0.90 0.00 0.00 117 K 9.41 5.03 0.00 1.64 1.72 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.37 7.81 118 E 8.88 5.00 0.00 2.11 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 2.44 2.29 0.00 119 L 8.94 4.91 0.00 1.83 1.78 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.14 4.24 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.94 0.00 0.00 121 G 9.86 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.78 4.24 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 0.00 123 I 8.17 3.59 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.84 0.00 0.00 124 E 8.53 3.89 0.00 2.22 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 2.00 2.10 0.00 125 Y 8.25 3.85 0.00 3.23 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 0.00 126 W 7.96 4.07 0.00 3.33 3.17 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 0.00 127 R 8.33 3.81 0.00 2.01 1.91 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 128 K 7.92 3.95 0.00 1.37 1.71 0.00 0.63 0.00 0.00 1.20 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.32 7.81 129 E 7.79 4.37 0.00 2.00 1.79 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 2.29 2.35 0.00 130 N 8.18 4.00 0.00 2.67 2.72 0.00 0.00 6.98 7.69 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 0.00 131 G 7.24 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 0.00 0.00 0.00 132 E 8.58 4.26 0.00 2.13 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 2.33 2.34 0.00 133 V 8.13 4.73 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 134 E 8.96 4.55 0.00 1.58 1.63 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 2.15 2.12 0.00 135 G 8.60 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 0.00 0.00 0.00 0.00 136 T 8.73 3.98 4.25 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 1.28 0.00 0.00 137 L 8.01 4.32 0.00 1.78 1.83 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.92 3.54 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 0.00 0.00 0.00 139 A 8.71 4.22 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 0.00 140 K 7.94 4.22 0.00 1.96 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 141 A 7.73 4.31 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 0.00 142 D 8.53 4.56 0.00 2.82 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 L 8.32 4.24 0.00 1.22 0.37 0.60 0.46 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 0.00 144 F 7.55 5.01 0.00 2.92 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 0.00 145 W 7.93 2.87 0.00 1.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 7.25 4.40 0.00 2.45 2.39 0.00 0.00 7.04 6.68 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 *148 K 8.39 4.17 0.00 1.78 1.77 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.41 7.81 149 K 7.83 3.99 0.00 1.61 1.65 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.