NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1348 8.0244 114.2752 60.1050 38.9334 174.8134 4 R 3.7690 8.4628 121.9123 56.2742 30.3778 174.3042 5 Q 4.7651 9.2302 124.3266 54.1110 32.7117 174.3065 6 L 4.1941 8.8856 125.4586 54.4420 43.2887 175.7471 7 H 5.3350 8.3145 120.5697 54.8564 30.9318 173.7791 8 Y 5.4691 8.8584 119.1046 56.7612 43.2794 173.9818 9 R 5.2127 9.4749 118.6031 54.6793 34.1886 174.8749 10 L 5.6760 8.6981 121.1612 52.5202 45.6629 175.7281 11 R 5.1795 8.5119 119.8991 54.5627 34.5599 174.7846 12 D 4.2040 8.7537 124.4716 52.6331 40.4690 177.1299 13 E 3.9731 8.2229 116.1480 58.4851 29.3916 177.6534 14 Q 4.2682 7.9742 117.1766 55.7058 29.1370 175.2411 15 Q 3.6937 8.0812 116.0293 56.8862 26.4420 173.1035 16 K 4.5447 8.3101 117.6000 55.0890 34.0075 176.9534 17 S 4.7524 8.7667 121.4163 58.3320 64.5345 173.1803 18 L 5.2664 8.0928 122.1754 53.8236 43.8306 176.2223 19 V 4.6200 9.0669 114.7687 59.6612 36.6981 174.0652 20 L 4.4762 8.5034 125.5437 55.3609 42.2299 174.5972 21 S 4.3881 9.2231 122.3132 58.6128 64.7027 174.3792 22 D 4.4630 8.6938 117.2721 53.1198 42.3090 175.6007 23 P 4.3110 0.0000 0.0000 65.8822 31.6982 175.5549 24 Y 4.9507 7.9337 116.2802 56.5989 38.9541 174.7968 25 E 4.8186 8.8748 120.0324 54.9217 34.0574 173.7568 26 L 5.2381 8.7004 125.9337 53.2557 44.3301 175.5182 27 K 5.2163 9.5601 121.7277 54.5389 36.7568 174.8211 28 A 5.3847 8.4205 123.9596 50.3296 21.9791 175.4899 29 L 4.6964 8.6089 120.7696 55.0482 44.8035 173.9781 30 H 4.8196 9.0198 117.2449 54.9977 28.9705 175.3934 31 L 4.7392 8.4905 123.6513 52.6570 44.4669 176.4593 32 N 4.7677 8.4916 120.2926 51.2740 38.8574 176.0230 33 G 4.0676 8.6578 107.4534 48.3759 0.0000 174.6615 34 Q 4.1706 7.7162 115.2632 57.6740 29.0140 176.3236 35 N 4.8449 8.4911 114.7609 52.9743 40.1154 175.2100 36 I 4.2538 7.4987 114.0614 59.4700 36.4460 175.3020 37 N 4.9715 7.5755 114.4817 53.3967 40.7171 175.7568 38 Q 4.3780 7.8120 115.9158 55.8388 29.0264 175.4337 39 Q 4.5254 7.5555 116.4317 54.8253 30.3156 175.4802 40 V 3.5080 7.7272 120.2225 63.2459 32.3491 175.2006 41 I 4.4834 7.9682 127.8980 59.7669 39.2532 175.3798 42 F 4.7905 9.2406 126.6528 56.8297 40.8372 175.0953 43 S 4.9171 9.2162 116.1738 57.2877 65.9690 172.8985 44 M 5.4134 9.4953 125.9798 53.3410 34.1230 174.9383 45 S 5.0960 8.4870 118.7505 56.4890 67.0913 172.9236 46 F 4.7969 9.0493 123.6670 58.3908 40.1628 174.6656 47 V 4.6122 6.9851 117.3763 59.5066 33.9873 176.8924 48 Q 4.0438 9.7693 125.2629 57.7319 28.9878 177.6404 49 G 3.9103 7.1862 109.2371 43.4863 0.0000 172.2907 50 E 4.6466 7.7885 119.2536 54.3479 32.2936 175.4635 51 P 4.3913 0.0000 0.0000 62.3658 32.0819 175.0349 52 S 3.7118 8.0394 114.0659 54.7589 60.8817 170.7531 53 N 4.4472 7.9984 123.1988 53.0307 39.0028 173.7695 54 D 4.5780 7.2248 116.7859 53.0353 41.8595 175.6676 55 K 4.8230 8.3419 118.8458 54.9236 35.9759 175.3530 56 I 4.5161 8.3849 123.0530 59.1327 39.3223 173.4604 57 P 5.0114 0.0000 0.0000 62.5722 32.5163 175.8695 58 V 4.7721 9.5775 116.6012 59.8291 36.9655 173.8468 59 A 5.4116 9.1038 123.6203 50.3306 22.3576 175.7333 60 L 4.8058 8.9669 120.5143 53.2668 44.3925 176.0538 61 G 3.5603 8.6661 111.4357 43.9641 0.0000 170.7559 62 L 4.6565 7.8652 119.4136 52.7335 43.5995 176.9472 63 K 3.9537 7.9265 124.4458 57.1512 32.4706 177.4212 64 G 3.9785 9.0392 114.8288 44.9990 0.0000 173.0141 65 K 4.6078 7.2001 118.0838 54.5585 35.4777 175.5837 66 N 4.9240 8.2647 117.9674 53.1409 36.9031 174.5762 67 L 5.1724 7.4209 118.0960 54.0521 45.7051 176.8116 68 Y 5.0787 8.9210 120.0108 56.0391 42.4108 174.4807 69 L 5.0698 8.8718 122.6731 54.4789 42.7978 176.5386 70 S 4.9193 9.4887 117.4894 56.9690 67.0940 172.3338 71 C 5.5140 8.4994 118.3682 58.2584 30.2581 174.0760 72 V 4.6248 8.6575 115.7136 59.6483 36.1442 174.8390 73 M 4.2763 8.8425 123.5901 54.8720 32.5007 175.2195 74 K 4.4123 8.5907 127.7754 55.6335 35.4830 175.8831 75 D 4.4786 9.5561 125.6512 55.7849 38.0913 173.9944 76 G 3.9502 8.2914 101.0177 46.2159 0.0000 172.8307 77 T 4.4053 7.3755 112.5924 59.4314 71.1156 171.3764 78 P 3.8925 0.0000 0.0000 62.9748 32.0367 175.8599 79 T 4.7185 8.6235 119.4500 61.7558 72.9938 172.8103 80 L 4.9976 8.7381 127.8340 54.7116 43.2934 175.6344 81 Q 4.6844 9.0366 122.5262 54.8007 32.6029 173.5638 82 L 4.7993 8.6792 123.8198 54.2872 42.7228 174.8813 83 E 4.8339 9.5758 129.5449 54.2826 31.4236 175.4738 84 S 4.8942 8.7556 121.7771 58.6812 64.2779 173.3667 85 V 4.5250 8.1237 113.9167 59.3581 36.2717 174.6163 86 D 4.4740 8.7426 121.4556 53.6571 41.2024 175.0622 87 P 4.4987 0.0000 0.0000 65.1045 31.2481 177.8174 88 K 4.2482 8.6445 118.3868 58.8397 32.5923 178.3427 89 Q 4.0574 7.8991 116.4027 56.3748 29.1556 175.5335 90 Y 4.6380 7.2568 116.5672 55.0737 40.6833 173.5930 91 P 4.6261 0.0000 0.0000 62.2088 32.5743 175.5520 92 K 4.5594 7.8015 118.0456 54.6035 35.1822 176.5270 93 K 4.1024 8.5251 119.3716 58.6289 32.1880 176.1475 94 K 4.6254 7.4718 119.4249 54.1110 31.8757 175.1011 95 M 4.3390 7.9833 122.6011 54.2264 33.0742 176.4039 96 E 4.2130 8.7981 120.2065 56.0601 30.6981 178.1259 97 K 3.7353 8.8227 123.2701 59.6206 32.4492 178.8984 98 R 3.8309 7.7556 114.1550 58.0862 29.5648 177.9089 99 F 4.6175 7.9503 116.8384 58.7491 39.7306 176.0962 100 V 4.1708 7.3739 121.7614 62.6639 32.5390 174.9535 101 F 5.2399 9.2596 125.5259 55.8002 43.3620 173.8217 102 N 5.1280 9.1873 120.8511 51.6512 39.9209 174.3999 103 K 4.2918 9.7196 128.4957 56.2957 33.4191 175.5849 104 I 4.7269 8.6929 128.9217 59.4692 40.1456 174.3666 105 E 4.7425 8.7156 125.3572 55.1518 31.0878 175.5222 106 V 4.1369 8.4124 118.0587 62.2790 34.4000 177.0527 107 K 4.2820 8.3023 114.5572 56.7145 32.6940 177.0635 108 S 4.6363 9.2067 123.3094 58.8987 65.1173 174.3016 109 K 4.6564 7.6023 120.4853 55.9052 33.6038 176.1802 110 V 4.7638 8.9201 115.7402 59.6371 35.7862 174.5530 111 E 5.0664 8.6623 121.3498 54.6341 34.2759 174.9385 112 F 5.3036 8.9392 121.2333 55.9200 41.6638 173.8125 113 E 4.5966 8.9182 125.8673 54.7579 31.3361 175.2684 114 S 4.1873 9.1081 121.6556 58.2419 62.5121 174.0278 115 A 3.9977 8.3812 129.4836 55.2108 18.2709 178.7575 116 E 3.5918 8.0943 115.0453 58.7468 29.8728 177.2715 117 F 4.6395 7.5124 121.2585 54.1217 38.6760 172.3957 118 P 4.4171 0.0000 0.0000 64.1779 31.5266 176.6915 119 N 4.5103 9.7478 118.6431 52.9440 37.0550 173.3900 120 W 4.8712 7.8473 118.8245 54.9964 31.9004 174.4930 121 Y 5.4117 9.2540 121.6711 55.8373 41.6629 175.0649 122 I 4.3268 8.4568 122.7561 61.8889 37.5561 175.8351 123 S 5.1102 9.5401 123.6211 56.8596 67.6235 173.0090 124 T 5.0451 8.6515 111.1894 59.9542 72.2131 173.6495 125 S 5.3449 8.6988 117.4683 56.9373 64.6287 174.1059 126 Q 4.2261 8.7299 118.3937 58.8164 28.9566 177.3487 127 A 4.2618 7.9675 120.2556 51.7524 19.3935 176.1530 128 E 4.3406 8.3956 118.6758 56.4608 30.9067 177.3471 129 H 4.2541 8.2259 114.9363 56.4019 27.5282 175.4628 130 K 4.5930 7.5607 120.2064 54.8142 33.4283 174.8677 131 P 4.9018 0.0000 0.0000 62.7585 32.1813 176.2189 132 V 4.2098 8.7052 122.9361 63.3303 32.3925 174.8874 133 F 5.0467 8.8109 121.4409 55.7413 42.2760 173.0283 134 L 4.8866 9.0680 121.2529 54.2189 41.9262 175.4267 135 G 4.5216 9.0921 115.4106 44.2296 0.0000 171.6530 136 N 4.6996 8.0618 114.3802 51.0363 37.5417 172.3400 137 N 3.9613 8.7645 118.8888 53.8954 35.9003 171.8983 138 S 4.3181 8.5051 114.5399 56.8962 67.6748 174.3305 *140 G 4.0570 8.3283 115.5866 45.2597 0.0000 174.2041 141 Q 4.4084 9.0736 120.9205 56.1115 28.9032 173.6471 142 D 5.2093 8.5689 120.3351 52.8581 42.6548 175.9419 143 I 4.3836 8.8023 125.8908 59.6708 38.6432 176.4246 144 I 4.3936 8.3676 118.9370 60.3934 39.0567 174.6833 145 D 5.0846 7.5584 122.1234 53.1966 42.7988 175.4357 146 F 5.3029 9.3801 121.0446 56.0470 43.6473 173.8677 147 T 4.9263 8.7401 116.3982 62.1913 71.4632 173.6428 148 M 5.0572 8.6389 124.0568 53.7238 34.4602 174.5894 149 E 4.6324 9.2946 126.4451 54.5981 31.5677 174.9188 150 S 4.4040 8.9137 122.5810 58.2268 62.8185 173.4828 151 V 4.4873 8.1554 129.5754 62.5255 33.8480 175.8186 152 S 4.1802 8.3580 114.3900 58.8008 63.8716 173.5661 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 3 I 8.02 4.13 1.92 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 1.35 1.19 0.94 0.00 0.00 4 R 8.46 3.77 0.00 1.89 1.91 0.00 3.19 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 5 Q 9.23 4.77 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 6 L 8.89 4.19 0.00 1.84 1.46 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.31 5.34 0.00 3.06 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.86 5.47 0.00 2.98 2.88 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 9 R 9.47 5.21 0.00 1.80 1.87 0.00 3.38 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 10 L 8.70 5.68 0.00 1.74 1.73 0.82 0.02 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 11 R 8.51 5.18 0.00 1.78 1.81 0.00 3.35 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 12 D 8.75 4.20 0.00 2.09 2.30 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 13 E 8.22 3.97 0.00 2.04 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 2.20 2.21 0.00 14 Q 7.97 4.27 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 15 Q 8.08 3.69 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 16 K 8.31 4.54 0.00 1.72 1.82 0.00 1.43 0.00 0.00 1.41 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.95 1.38 7.81 17 S 8.77 4.75 0.00 3.83 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 18 L 8.09 5.27 0.00 1.79 1.71 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.07 4.62 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 0.79 0.00 0.00 1.05 0.00 0.00 20 L 8.50 4.48 0.00 1.57 1.54 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.22 4.39 0.00 4.00 3.75 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 22 D 8.69 4.46 0.00 2.81 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 23 P 0.00 4.31 0.00 2.38 2.27 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 24 Y 7.93 4.95 0.00 2.75 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 25 E 8.87 4.82 0.00 2.06 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 2.28 2.38 0.00 26 L 8.70 5.24 0.00 1.72 1.65 1.07 0.93 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 27 K 9.56 5.22 0.00 1.67 1.72 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.42 7.81 28 A 8.42 5.38 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 29 L 8.61 4.70 0.00 1.79 1.67 1.01 0.71 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 30 H 9.02 4.82 0.00 3.17 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.49 4.74 0.00 1.61 1.56 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.49 4.77 0.00 2.88 2.97 0.00 0.00 6.12 6.95 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 33 G 8.66 4.07 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 0.00 0.00 0.00 34 Q 7.72 4.17 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.69 2.33 0.00 35 N 8.49 4.84 0.00 2.85 2.87 0.00 0.00 7.00 7.33 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 36 I 7.50 4.25 1.89 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 1.49 0.57 0.94 0.00 0.00 37 N 7.58 4.97 0.00 2.76 2.90 0.00 0.00 6.32 7.39 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 38 Q 7.81 4.38 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.29 0.00 39 Q 7.56 4.53 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 40 V 7.73 3.51 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 0.04 0.00 0.00 0.84 0.00 0.00 41 I 7.97 4.48 1.77 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 1.33 0.58 0.91 0.00 0.00 42 F 9.24 4.79 0.00 2.97 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 43 S 9.22 4.92 0.00 3.69 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 44 M 9.50 5.41 0.00 2.35 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 45 S 8.49 5.10 0.00 3.99 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 46 F 9.05 4.80 0.00 3.11 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 47 V 6.99 4.61 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 0.76 0.00 0.00 0.72 0.00 0.00 48 Q 9.77 4.04 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.28 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 49 G 7.19 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 0.00 0.00 0.00 50 E 7.79 4.65 0.00 1.98 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 2.33 2.33 0.00 51 P 0.00 4.39 0.00 2.04 2.12 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 52 S 8.04 3.71 0.00 4.08 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 53 N 8.00 4.45 0.00 2.86 2.81 0.00 0.00 6.79 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 54 D 7.22 4.58 0.00 2.75 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 55 K 8.34 4.82 0.00 1.64 1.86 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.39 7.81 56 I 8.38 4.52 1.94 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 1.35 1.09 1.11 0.00 0.00 57 P 0.00 5.01 0.00 1.74 1.84 0.00 3.30 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 58 V 9.58 4.77 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 0.81 0.00 0.00 1.17 0.00 0.00 59 A 9.10 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 60 L 8.97 4.81 0.00 1.35 1.39 -0.39 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.67 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 62 L 7.87 4.66 0.00 1.45 1.36 0.65 0.41 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 63 K 7.93 3.95 0.00 1.68 1.66 0.00 1.39 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.16 7.81 64 G 9.04 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 0.00 0.00 0.00 65 K 7.20 4.61 0.00 1.53 1.59 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.24 7.81 66 N 8.26 4.92 0.00 2.94 3.04 0.00 0.00 5.77 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 67 L 7.42 5.17 0.00 1.38 1.38 0.69 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.92 5.08 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 69 L 8.87 5.07 0.00 1.68 1.83 1.09 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.49 4.92 0.00 3.23 3.46 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 71 C 8.50 5.51 0.00 2.93 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 72 V 8.66 4.62 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 0.68 0.00 0.00 0.98 0.00 0.00 73 M 8.84 4.28 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 74 K 8.59 4.41 0.00 1.72 1.53 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.35 7.81 75 D 9.56 4.48 0.00 2.81 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 76 G 8.29 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 0.00 0.00 0.00 77 T 7.38 4.41 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 1.27 0.00 0.00 78 P 0.00 3.89 0.00 0.67 0.49 0.00 2.65 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.68 0.00 79 T 8.62 4.72 4.30 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 1.24 0.00 0.00 80 L 8.74 5.00 0.00 1.80 1.70 1.12 0.73 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 81 Q 9.04 4.68 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 82 L 8.68 4.80 0.00 1.71 1.56 0.95 0.81 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 83 E 9.58 4.83 0.00 2.11 1.95 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 2.44 2.33 0.00 84 S 8.76 4.89 0.00 3.95 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 85 V 8.12 4.52 1.12 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 0.25 0.00 0.00 0.74 0.00 0.00 86 D 8.74 4.47 0.00 2.79 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 87 P 0.00 4.50 0.00 2.30 2.21 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 88 K 8.64 4.25 0.00 1.80 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.63 7.81 89 Q 7.90 4.06 0.00 1.86 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 90 Y 7.26 4.64 0.00 2.90 2.70 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 0.00 0.00 0.00 91 P 0.00 4.63 0.00 2.26 2.31 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 92 K 7.80 4.56 0.00 1.66 1.58 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.52 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.95 1.32 7.81 93 K 8.53 4.10 0.00 1.81 2.09 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.57 1.41 7.81 94 K 7.47 4.63 0.00 1.65 1.66 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.34 7.81 95 M 7.98 4.34 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 96 E 8.80 4.21 0.00 2.41 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 2.52 2.44 0.00 97 K 8.82 3.74 0.00 1.74 1.71 0.00 1.47 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.32 7.81 98 R 7.76 3.83 0.00 1.93 1.94 0.00 2.64 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.00 99 F 7.95 4.62 0.00 3.20 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 0.00 100 V 7.37 4.17 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 0.88 0.00 0.00 0.98 0.00 0.00 101 F 9.26 5.24 0.00 3.14 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 0.00 102 N 9.19 5.13 0.00 2.69 2.79 0.00 0.00 6.55 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 0.00 103 K 9.72 4.29 0.00 1.84 1.82 0.00 1.46 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.01 7.81 104 I 8.69 4.73 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.91 0.00 0.00 105 E 8.72 4.74 0.00 1.78 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 2.10 2.22 0.00 106 V 8.41 4.14 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 0.70 0.00 0.00 1.00 0.00 0.00 107 K 8.30 4.28 0.00 1.67 1.47 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.33 7.81 108 S 9.21 4.64 0.00 3.83 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 0.00 109 K 7.60 4.66 0.00 1.63 1.67 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.36 7.81 110 V 8.92 4.76 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.82 0.00 0.00 111 E 8.66 5.07 0.00 1.88 1.90 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 2.37 2.19 0.00 112 F 8.94 5.30 0.00 2.80 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 0.00 113 E 8.92 4.60 0.00 1.91 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 2.12 1.83 0.00 114 S 9.11 4.19 0.00 3.94 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 0.00 115 A 8.38 4.00 1.17 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 0.00 0.00 116 E 8.09 3.59 0.00 1.55 1.52 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 1.47 1.47 0.00 117 F 7.51 4.64 0.00 3.00 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 0.00 118 P 0.00 4.42 0.00 2.10 2.02 0.00 3.76 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 2.01 2.21 0.00 119 N 9.75 4.51 0.00 3.07 3.04 0.00 0.00 6.68 7.37 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 0.00 120 W 7.85 4.87 0.00 3.54 3.27 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 0.00 121 Y 9.25 5.41 0.00 2.92 2.95 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 I 8.46 4.33 1.79 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.46 0.56 0.00 0.00 123 S 9.54 5.11 0.00 2.72 3.58 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 0.00 124 T 8.65 5.05 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 1.32 0.00 0.00 125 S 8.70 5.34 0.00 3.99 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 0.00 126 Q 8.73 4.23 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 127 A 7.97 4.26 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 0.00 128 E 8.40 4.34 0.00 1.99 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 2.33 2.36 0.00 129 H 8.23 4.25 0.00 3.38 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.56 4.59 0.00 1.76 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.42 7.81 131 P 0.00 4.90 0.00 2.20 2.25 0.00 3.82 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 2.07 2.02 0.00 132 V 8.71 4.21 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 0.81 0.00 0.00 1.05 0.00 0.00 133 F 8.81 5.05 0.00 3.18 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 0.00 134 L 9.07 4.89 0.00 1.91 1.89 1.24 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.09 4.52 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 0.00 136 N 8.06 4.70 0.00 2.01 1.42 0.00 0.00 6.42 8.04 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 0.00 137 N 8.76 3.96 0.00 2.61 2.82 0.00 0.00 6.91 7.63 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 0.00 138 S 8.51 4.32 0.00 3.82 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 *140 G 8.33 4.06 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 0.00 0.00 0.00 141 Q 9.07 4.41 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 142 D 8.57 5.21 0.00 2.56 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 0.00 143 I 8.80 4.38 1.81 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 1.18 0.69 0.60 0.00 0.00 144 I 8.37 4.39 1.71 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.43 0.74 0.00 0.00 145 D 7.56 5.08 0.00 2.48 2.53 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 0.00 146 F 9.38 5.30 0.00 3.01 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 0.00 147 T 8.74 4.93 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 1.27 0.00 0.00 148 M 8.64 5.06 0.00 1.61 1.88 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 149 E 9.29 4.63 0.00 2.11 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 2.31 2.30 0.00 150 S 8.91 4.40 0.00 3.99 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 0.00 151 V 8.16 4.49 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 0.80 0.00 0.00 1.02 0.00 0.00 152 S 8.36 4.18 0.00 3.80 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 * Residues marked with a * may have inaccurate shift predictions.