NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9838 7.7274 119.7316 56.2437 34.2260 176.3122 2 G 3.3125 8.1839 108.4029 45.4941 0.0000 171.5562 3 I 3.8443 8.0316 118.2799 60.0862 39.9027 174.1846 4 Y 4.7755 9.0845 122.0449 60.6602 38.8007 176.1011 5 S 4.7223 7.8173 110.0118 57.4242 65.9564 174.2028 6 F 5.8139 8.0036 124.6808 56.5266 42.1519 174.1679 7 W 4.8860 9.3645 124.7555 55.0010 33.2902 174.0376 8 I 4.4954 8.4669 125.0951 59.3153 39.9406 174.6277 9 F 4.9196 8.8451 124.5356 55.3849 41.8521 174.6099 10 D 4.6541 8.9285 124.9941 54.2426 41.7584 176.4686 11 R 4.6522 8.1144 112.7828 55.4665 29.6241 176.1855 12 H 4.6612 7.6749 114.0884 55.8748 29.3332 174.6997 13 C 2.6252 7.6034 114.9168 59.8592 25.1103 172.3639 14 N 4.5077 7.2250 117.8829 52.1741 40.0024 173.2043 15 C 4.5119 8.2667 123.2737 58.0716 32.5425 173.1176 16 I 4.1292 7.9186 127.9981 62.7846 37.8297 176.1149 17 F 4.8580 7.5247 120.9848 56.5508 42.9230 173.3445 18 D 4.3881 7.1944 123.9641 51.4550 43.4079 175.0238 19 R 4.2885 6.4723 118.5535 56.4761 32.5361 172.6397 20 E 4.9400 9.8891 126.2530 56.4717 30.7018 176.6600 21 W 4.7719 8.8414 135.0000 59.6682 32.1952 175.5145 *35 K 4.9394 7.4799 118.4132 56.4826 32.6921 178.2418 36 Q 3.8820 7.9630 117.1870 58.9312 28.6707 178.1936 37 N 4.7449 8.2662 115.3481 56.0862 39.2811 176.9069 38 E 4.1035 7.9565 117.1006 59.4019 29.4796 179.1443 39 E 4.0742 7.7882 118.9483 59.4000 29.6137 178.8538 40 D 4.3592 7.9564 118.7353 57.0665 40.7561 178.6883 41 A 3.8618 7.8130 120.2753 54.8494 18.2323 179.7819 42 K 3.9783 7.9840 117.2947 59.5453 32.1027 179.5302 43 L 3.9627 7.8063 119.5885 58.8027 40.5864 178.8089 44 L 3.8142 7.9998 121.4715 57.8592 41.8531 178.2630 45 Y 3.2808 8.5706 120.4825 60.2106 37.9895 178.4941 46 G 3.3455 7.5522 106.8706 47.7617 0.0000 175.3672 47 M 4.2458 8.1382 121.1986 58.4990 32.1567 178.4671 48 I 3.7515 7.5597 119.9161 64.1401 37.3947 178.2846 49 F 4.2563 7.8132 121.9204 61.1530 39.1830 177.4812 50 S 3.6958 9.1273 114.3684 61.4556 62.8068 176.4852 51 L 3.8924 7.7423 123.0132 57.0164 41.1888 179.4325 52 R 3.7868 8.1914 119.2090 59.5706 29.9653 178.6309 53 S 3.9302 7.5466 112.4524 61.0560 62.2924 175.7890 54 I 3.5584 7.7089 121.5512 64.4708 37.4751 178.0916 55 T 3.9039 7.8940 115.8829 66.4485 68.2909 176.6199 56 Q 4.0896 7.9536 119.6550 58.8678 28.8481 178.4186 57 K 4.0927 8.0042 119.6401 58.8849 32.7462 177.8747 58 L 4.3656 7.7091 120.5367 54.3490 42.4962 176.4507 59 S 4.7011 7.3496 110.5540 56.1570 66.3655 173.1568 60 K 4.4799 9.7314 121.3142 53.8482 34.4331 176.9345 61 G 3.7471 7.7204 111.2587 44.9395 0.0000 172.3475 62 S 4.6187 8.1903 115.6177 58.0071 63.2846 175.7691 63 V 3.7335 7.7804 118.9824 64.5372 32.0389 174.7112 64 K 3.6598 7.7309 117.2627 55.7128 27.8420 174.6907 65 N 4.2178 7.8342 117.5221 53.9291 39.9486 173.2385 66 D 4.8301 8.1371 121.8035 51.7679 44.7543 175.6391 67 I 3.6472 8.1343 114.4230 61.3533 36.5282 175.5148 68 R 4.1209 7.8926 128.2124 56.8821 29.8050 175.1179 69 S 5.1863 7.9132 115.1621 56.4335 66.3915 173.1445 70 I 4.6467 8.1679 124.1148 59.6633 40.4427 174.4799 71 S 5.2234 8.8060 122.2858 57.1183 66.0166 173.1976 72 T 4.5579 8.2508 116.7297 59.8543 70.2184 173.7146 73 G 3.6291 8.6033 109.7432 47.9519 0.0000 174.5424 74 K 4.5853 7.6008 115.5787 55.4234 33.7408 174.6852 75 Y 5.0518 7.3805 116.8950 57.6114 41.1131 172.4291 76 R 4.8583 8.6612 116.8536 55.4398 33.4172 175.1474 77 V 5.3817 8.5293 118.6265 58.7703 30.5462 175.0278 78 H 4.1867 7.9918 118.6289 57.1096 29.9820 175.6627 79 T 5.3180 8.5827 119.2847 62.4055 71.8878 173.9285 80 Y 4.9343 8.6482 124.0596 57.7022 41.5802 173.0312 81 C 4.9663 8.8067 124.5276 58.1716 30.9937 174.3239 82 T 3.9804 7.8123 118.4990 63.0630 69.0386 175.4596 83 A 4.5121 8.3144 124.4861 52.4615 19.6353 177.9566 84 S 4.5206 8.0944 108.9817 57.7594 64.4108 173.9983 85 G 3.8858 8.5620 108.9197 45.7234 0.0000 172.1028 86 L 4.7895 8.4179 118.4649 53.2977 46.0381 176.2944 87 W 4.6588 9.6481 125.7346 56.4770 30.0010 175.8588 88 F 5.0569 9.5595 125.8104 56.0999 39.9871 175.2350 89 V 5.0163 9.2372 124.7285 60.1432 34.4996 174.8030 90 L 5.4570 8.9221 123.4714 54.1162 46.0657 174.1647 91 L 5.1967 9.4602 127.2216 53.4756 43.2208 176.4262 92 S 4.3167 8.9029 124.6142 57.5503 65.7562 175.2965 93 D 4.3820 8.1463 119.6760 53.4931 39.9325 174.5866 94 F 3.6064 8.2251 115.5387 59.2901 36.0127 173.8002 95 K 4.4122 7.2168 120.6763 57.3588 35.2838 176.3593 96 Q 4.1982 7.7542 120.0106 54.8015 30.1767 175.6368 97 Q 4.1964 7.8996 119.2944 54.8244 30.0999 175.0186 98 S 4.1441 8.4763 112.6925 59.5438 62.7690 174.8129 99 Y 4.2533 8.5920 125.6546 58.1523 38.3168 178.2118 100 T 3.8914 7.9166 113.2141 65.0715 68.6658 175.2942 101 Q 3.9399 7.9206 120.4201 58.5638 28.8464 178.4959 102 V 3.8988 7.7898 118.8046 66.0033 31.5860 177.6742 103 L 4.0753 8.4754 120.4185 58.2318 42.0517 178.6014 104 Q 4.4171 8.3350 119.8621 59.6439 28.9555 177.7178 105 Y 4.1611 9.1937 122.7288 60.0735 38.6230 177.8987 106 I 3.4569 8.4503 121.2058 64.4596 37.0985 177.8487 107 Y 3.9802 7.9218 120.5870 60.5099 37.8982 177.9931 108 S 3.7302 8.5155 115.5205 61.6867 63.0272 176.2207 109 H 4.0785 7.4454 119.2172 58.2599 28.1597 177.7038 110 I 3.3891 6.8074 121.4777 64.2965 36.7661 177.9899 111 Y 4.2821 7.7505 120.4910 60.7597 38.7427 177.9848 112 V 3.7851 7.1784 117.2416 65.4211 31.4618 178.2703 113 K 3.9450 7.9581 116.3521 59.8290 32.3606 178.1166 114 Y 3.9866 8.2467 114.2891 61.1246 38.0642 177.7580 115 V 3.5450 7.5945 118.5407 65.2658 31.6029 177.1467 116 S 4.7726 7.9854 114.0230 58.1277 62.9672 174.7277 117 N 4.7807 8.1515 115.9629 53.3891 40.9814 174.8108 118 N 4.6733 7.7212 116.3829 50.8149 36.6430 175.1080 119 L 4.3770 8.0528 124.1827 56.4855 40.1706 178.6499 120 L 4.1822 7.9082 122.3500 56.9935 41.8969 177.1926 121 S 4.4475 7.4293 111.8729 54.8307 63.1911 171.0638 122 P 3.8805 0.0000 0.0000 61.6941 32.4759 175.8712 123 Y 4.3335 7.9767 118.0478 57.3378 38.8376 177.1740 124 D 4.3678 9.3878 124.0455 57.1105 42.6990 179.8709 125 F 3.1568 10.2987 113.5593 57.3992 41.1735 176.9022 126 A 4.4447 8.5728 122.8710 52.2464 22.2153 177.0043 127 E 4.6786 8.2926 112.7146 56.5505 30.4527 178.9850 128 N 4.2851 8.5532 118.3156 54.8412 38.3654 175.3966 129 E 3.9427 9.4072 116.8772 57.2274 29.8892 177.4783 130 N 4.8274 8.5841 121.0542 54.1577 38.2657 175.0289 131 E 4.6043 8.1608 116.8197 56.7123 30.4412 177.7631 132 M 3.6478 8.0222 118.3222 58.2094 32.0974 178.4609 133 R 4.1080 7.2897 115.2620 58.7947 30.4615 178.3493 134 G 3.6716 8.2162 104.9832 47.9342 0.0000 174.4530 135 Q 4.0094 7.9944 118.1420 55.9662 28.5972 172.2917 136 G 3.9947 7.9933 113.2147 45.6025 0.0000 173.4071 137 T 4.6168 7.9250 119.2071 61.0647 72.3127 172.0626 138 R 4.2221 8.4480 123.1144 56.2487 29.4676 177.4578 139 K 4.0699 9.2161 119.0125 58.8297 32.7564 177.7036 140 I 3.7686 7.1594 117.8891 60.8076 37.6317 174.9406 141 T 4.3762 8.1338 120.2090 62.7591 69.9075 173.8125 142 N 3.9224 7.3433 118.0044 51.9478 37.5029 174.2284 143 R 4.0096 8.8812 125.5656 59.8355 30.0017 178.5551 144 N 4.4640 8.2265 115.4229 56.2504 38.7823 177.0305 145 F 3.8034 8.5323 122.3007 61.2321 39.4790 177.1998 146 I 4.0314 7.9945 112.5577 63.9945 37.5049 178.2518 147 S 4.1188 7.8611 116.4340 61.2840 62.9266 176.9403 148 V 3.5812 8.5078 124.4909 63.9798 31.1091 178.1980 149 L 3.8277 7.6604 120.9773 58.0040 41.7529 178.7246 150 E 4.0549 7.9601 117.2763 59.6005 29.6505 179.3323 151 S 4.2712 8.0919 115.0957 61.4808 62.6926 176.3739 152 F 4.3917 8.3126 122.6828 60.5964 39.1270 175.9579 153 L 4.4925 7.6534 116.7640 54.1210 42.8104 177.9279 154 A 4.0147 7.6714 123.3945 54.7942 18.0322 177.7668 155 P 4.4547 0.0000 0.0000 64.1753 32.3859 175.9698 156 M 4.2618 8.2623 117.8193 54.9566 30.8909 176.7143 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 7.73 4.98 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 2 G 8.18 3.31 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 0.00 3 I 8.03 3.84 1.71 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 1.40 0.69 0.29 0.00 0.00 4 Y 9.08 4.78 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.82 4.72 0.00 3.02 3.87 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 6 F 8.00 5.81 0.00 3.38 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 7 W 9.36 4.89 0.00 3.34 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 8 I 8.47 4.50 1.83 0.00 0.00 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 1.05 0.69 0.53 0.00 0.00 9 F 8.85 4.92 0.00 2.85 2.43 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 0.00 10 D 8.93 4.65 0.00 2.51 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 11 R 8.11 4.65 0.00 1.96 2.19 0.00 2.65 0.00 0.00 3.97 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.00 12 H 7.67 4.66 0.00 3.16 3.06 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.60 2.63 0.00 2.78 2.51 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 0.00 0.00 0.00 0.00 14 N 7.22 4.51 0.00 2.62 2.57 0.00 0.00 6.65 7.65 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 15 C 8.27 4.51 0.00 2.99 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 16 I 7.92 4.13 1.79 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 1.17 0.63 0.98 0.00 0.00 17 F 7.52 4.86 0.00 2.95 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 18 D 7.19 4.39 0.00 2.13 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 0.00 0.00 0.00 0.00 19 R 6.47 4.29 0.00 1.85 1.72 0.00 3.38 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 20 E 9.89 4.94 0.00 1.95 1.73 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 2.08 2.15 0.00 21 W 8.84 4.77 0.00 3.45 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 *35 K 7.48 4.94 0.00 1.93 1.88 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.61 7.81 36 Q 7.96 3.88 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 37 N 8.27 4.74 0.00 2.77 2.94 0.00 0.00 6.88 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 38 E 7.96 4.10 0.00 2.06 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 0.00 2.53 2.34 0.00 39 E 7.79 4.07 0.00 2.42 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 2.31 2.36 0.00 40 D 7.96 4.36 0.00 3.10 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 41 A 7.81 3.86 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.98 3.98 0.00 2.06 1.90 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.74 7.81 43 L 7.81 3.96 0.00 1.88 1.90 0.88 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.00 3.81 0.00 1.55 1.62 0.10 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.57 3.28 0.00 2.67 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 46 G 7.55 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.14 4.25 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 48 I 7.56 3.75 1.93 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 1.62 0.74 1.30 0.00 0.00 49 F 7.81 4.26 0.00 2.25 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 50 S 9.13 3.70 0.00 3.97 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 51 L 7.74 3.89 0.00 1.81 1.71 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.19 3.79 0.00 2.01 2.02 0.00 2.98 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 53 S 7.55 3.93 0.00 3.43 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.56 1.92 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 1.47 1.12 0.96 0.00 0.00 55 T 7.89 3.90 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 Q 7.95 4.09 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 57 K 8.00 4.09 0.00 1.84 1.80 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.56 7.81 58 L 7.71 4.37 0.00 1.75 1.66 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.35 4.70 0.00 3.93 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 60 K 9.73 4.48 0.00 1.71 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.37 7.81 61 G 7.72 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 0.00 0.00 0.00 62 S 8.19 4.62 0.00 3.80 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 63 V 7.78 3.73 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 0.86 0.00 0.00 0.93 0.00 0.00 64 K 7.73 3.66 0.00 1.96 1.89 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.35 7.81 65 N 7.83 4.22 0.00 2.64 2.74 0.00 0.00 7.08 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 66 D 8.14 4.83 0.00 2.62 2.43 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 0.00 67 I 8.13 3.65 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.34 0.89 0.00 0.00 68 R 7.89 4.12 0.00 1.92 1.82 0.00 3.10 0.00 0.00 3.26 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 69 S 7.91 5.19 0.00 3.90 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 70 I 8.17 4.65 1.88 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 1.33 0.87 0.88 0.00 0.00 71 S 8.81 5.22 0.00 3.82 4.11 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 72 T 8.25 4.56 3.32 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 0.95 0.00 0.00 73 G 8.60 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.60 4.59 0.00 1.88 1.93 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 75 Y 7.38 5.05 0.00 3.33 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 76 R 8.66 4.86 0.00 1.62 1.48 0.00 2.88 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 1.13 1.72 0.00 77 V 8.53 5.38 2.24 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 1.00 0.00 0.00 1.03 0.00 0.00 78 H 7.99 4.19 0.00 3.21 3.39 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.58 5.32 4.66 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 1.32 0.00 0.00 80 Y 8.65 4.93 0.00 3.14 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 81 C 8.81 4.97 0.00 2.55 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 0.00 0.00 0.00 0.00 82 T 7.81 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 1.23 0.00 0.00 83 A 8.31 4.51 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 84 S 8.09 4.52 0.00 4.04 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 85 G 8.56 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 86 L 8.42 4.79 0.00 1.50 1.22 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 87 W 9.65 4.66 0.00 3.36 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 88 F 9.56 5.06 0.00 3.43 3.51 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 0.00 0.00 0.00 0.00 89 V 9.24 5.02 2.65 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 1.31 0.00 0.00 1.20 0.00 0.00 90 L 8.92 5.46 0.00 2.23 1.77 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 91 L 9.46 5.20 0.00 1.82 1.78 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.90 4.32 0.00 3.67 3.74 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 93 D 8.15 4.38 0.00 2.20 1.82 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 94 F 8.23 3.61 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.22 4.41 0.00 1.97 1.67 0.00 1.95 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.43 7.81 96 Q 7.75 4.20 0.00 1.99 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 97 Q 7.90 4.20 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 98 S 8.48 4.14 0.00 4.04 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 99 Y 8.59 4.25 0.00 2.98 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 0.00 100 T 7.92 3.89 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 1.20 0.00 0.00 101 Q 7.92 3.94 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 102 V 7.79 3.90 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.87 0.00 0.00 103 L 8.48 4.08 0.00 2.27 1.98 1.25 1.23 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 0.00 104 Q 8.34 4.42 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 105 Y 9.19 4.16 0.00 2.96 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 0.00 106 I 8.45 3.46 2.08 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 0.87 0.00 0.00 107 Y 7.92 3.98 0.00 1.43 2.65 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 0.00 0.00 0.00 108 S 8.52 3.73 0.00 3.89 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 0.00 109 H 7.45 4.08 0.00 1.66 2.86 0.00 5.67 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 0.00 110 I 6.81 3.39 1.69 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.54 -0.24 0.00 0.00 111 Y 7.75 4.28 0.00 3.46 3.23 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 0.00 112 V 7.18 3.79 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 1.24 0.00 0.00 0.76 0.00 0.00 113 K 7.96 3.94 0.00 1.81 1.70 0.00 2.04 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.69 7.81 114 Y 8.25 3.99 0.00 3.23 3.43 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 0.00 115 V 7.59 3.55 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 0.11 0.00 0.00 0.29 0.00 0.00 116 S 7.99 4.77 0.00 4.10 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.15 4.78 0.00 2.90 2.77 0.00 0.00 7.08 8.00 0.00 0.00 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 N 7.72 4.67 0.00 2.77 2.87 0.00 0.00 6.04 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 0.00 119 L 8.05 4.38 0.00 1.66 1.66 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.91 4.18 0.00 1.59 1.72 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.43 4.45 0.00 3.87 3.80 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 0.00 0.00 0.00 122 P 0.00 3.88 0.00 2.23 1.98 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 123 Y 7.98 4.33 0.00 3.22 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 0.00 124 D 9.39 4.37 0.00 2.81 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 0.00 125 F 10.30 3.16 0.00 3.16 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 0.00 126 A 8.57 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.29 4.68 0.00 1.97 1.91 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 2.29 2.28 0.00 128 N 8.55 4.29 0.00 2.88 2.95 0.00 0.00 7.15 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 0.00 129 E 9.41 3.94 0.00 2.07 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 2.32 2.47 0.00 130 N 8.58 4.83 0.00 2.68 2.79 0.00 0.00 6.77 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 0.00 131 E 8.16 4.60 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 132 M 8.02 3.65 0.00 1.63 1.89 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.25 0.00 133 R 7.29 4.11 0.00 1.67 1.81 0.00 3.21 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 134 G 8.22 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 0.00 135 Q 7.99 4.01 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 136 G 7.99 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 0.00 0.00 0.00 137 T 7.93 4.62 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 0.00 138 R 8.45 4.22 0.00 2.26 2.14 0.00 2.94 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 139 K 9.22 4.07 0.00 1.92 1.93 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 140 I 7.16 3.77 2.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.70 1.20 0.00 0.00 141 T 8.13 4.38 4.29 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 1.32 0.00 0.00 142 N 7.34 3.92 0.00 2.84 2.81 0.00 0.00 7.19 7.65 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 0.00 143 R 8.88 4.01 0.00 1.94 2.06 0.00 3.21 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 144 N 8.23 4.46 0.00 3.34 3.31 0.00 0.00 6.77 8.13 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 0.00 145 F 8.53 3.80 0.00 3.28 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 0.00 146 I 7.99 4.03 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.70 1.36 0.00 0.00 147 S 7.86 4.12 0.00 4.06 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.51 3.58 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 0.17 0.00 0.00 0.73 0.00 0.00 149 L 7.66 3.83 0.00 1.27 1.68 0.75 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.96 4.05 0.00 2.13 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 0.00 2.47 2.73 0.00 151 S 8.09 4.27 0.00 4.12 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 0.00 152 F 8.31 4.39 0.00 3.03 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 0.00 153 L 7.65 4.49 0.00 1.78 1.76 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.67 4.01 1.29 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 0.00 0.00 155 P 0.00 4.45 0.00 2.21 2.00 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 156 M 8.26 4.26 0.00 2.20 2.36 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 2.58 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.