NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 G 4.0489 8.3549 109.7334 45.4571 0.0000 172.7657 22 V 3.6919 8.4043 113.3408 59.6167 31.7448 176.7015 *24 H 4.5386 9.9029 123.2232 56.3891 30.7283 171.9033 25 Y 4.3926 8.8573 117.4172 56.5534 39.0802 176.1632 26 T 4.3547 8.5192 113.9735 61.2282 70.3879 173.0949 27 D 4.9225 7.8384 121.7332 52.5049 43.8132 173.5967 28 K 4.9746 8.2643 118.9727 54.2579 33.8558 176.7561 29 A 4.2380 9.0541 127.4109 51.6775 19.3636 177.4394 30 A 4.1325 8.5496 122.5780 51.0543 18.5509 177.2023 31 L 3.7816 8.5980 122.8615 55.9203 41.8859 175.6715 32 P 4.4376 0.0000 0.0000 62.0172 32.1746 177.1661 33 A 3.9864 8.7804 126.2324 55.8761 18.4041 177.9799 34 D 4.2971 7.4892 107.9420 53.4542 44.5576 177.7424 35 G 3.9218 8.1881 103.7585 45.8403 0.0000 173.5238 36 E 3.9420 8.9332 116.5287 59.6205 29.2926 179.0655 37 A 3.9042 8.0228 120.0993 55.3056 18.3897 179.4901 38 R 3.7719 7.8823 116.5567 59.3993 29.9918 178.1901 39 E 3.8418 7.8087 118.0243 59.1575 30.0760 178.6804 40 V 2.9548 7.8064 118.2393 65.7683 31.4411 177.7328 41 A 4.0842 8.1634 120.5978 55.2584 18.2811 179.4585 42 A 4.1244 7.9980 118.9133 54.9409 18.3557 179.7306 43 L 3.7399 7.4508 117.6956 57.7839 41.5128 179.2784 44 F 3.8533 7.7953 120.6265 61.2936 39.2276 176.8370 45 D 4.2444 8.1252 117.9149 57.6877 40.6903 178.6732 46 T 3.7914 7.6641 115.7118 66.3600 68.3931 176.4135 47 W 3.9901 8.0753 130.0719 60.4506 30.9033 177.4516 48 N 3.9688 8.2987 117.1778 56.5787 38.0614 176.6324 49 A 3.8978 7.8174 120.9797 54.9114 18.8121 179.1100 50 A 3.9361 7.8748 119.2519 55.1327 18.4455 179.4549 51 L 3.5760 7.4590 117.4230 58.2052 41.5266 179.8387 52 A 3.9614 7.4613 118.3072 55.2265 18.2495 179.4571 53 T 3.8970 7.4978 107.2807 62.8614 68.8299 175.9150 54 G 3.6836 7.7675 108.0997 45.3881 0.0000 172.6270 55 N 4.6462 7.7306 119.5439 51.2776 39.0828 173.7309 56 P 4.3266 0.0000 0.0000 65.7444 31.3892 178.2852 57 H 4.2737 8.2313 115.3227 58.9159 28.3861 177.8824 58 K 4.0084 7.6532 118.9854 59.2707 32.1552 179.3808 59 V 3.5241 7.6016 117.7345 66.0293 31.4608 177.5748 60 A 4.2422 8.2614 120.7301 55.6439 17.9146 179.2035 61 D 4.4173 8.1702 116.1985 57.0957 41.1103 177.6585 62 L 4.3625 8.2756 118.0619 55.6000 42.2323 175.7372 63 Y 4.9551 8.1196 117.2252 55.7873 39.6201 175.6065 64 A 4.2768 8.7769 127.1459 51.6928 19.1759 176.7611 65 P 4.3875 0.0000 0.0000 65.3448 31.4815 177.1532 66 D 4.8992 8.0113 115.1425 52.8790 39.9824 176.5685 67 G 4.0265 8.3752 107.7702 47.2146 0.0000 173.2477 68 V 4.6235 8.7535 120.7489 60.7419 34.7382 173.8392 69 L 5.0123 8.9650 130.3781 53.4600 44.3918 175.0534 70 L 4.6765 8.8444 127.2620 52.1681 42.3744 174.5111 71 P 4.4229 0.0000 0.0000 61.3789 32.8346 177.4124 72 T 4.1927 8.1976 115.0485 65.9706 68.3016 176.0028 73 V 4.4018 7.6815 110.0742 60.7610 32.2385 175.3127 74 S 4.7686 7.7144 113.7616 56.2969 65.0081 173.9061 75 N 4.3624 8.7573 123.8157 55.4590 38.6617 174.8235 76 E 4.1406 7.7319 119.3351 54.8598 29.6613 176.2114 77 V 3.6870 8.2504 126.9549 62.7630 32.3441 175.1403 78 R 4.5802 8.8673 126.5062 54.8537 30.8468 176.2261 79 A 5.0727 9.7123 125.8099 49.9363 19.8956 175.7049 80 S 4.7781 7.7642 112.6783 57.0415 67.6311 174.3426 81 R 3.8879 8.5654 121.9167 59.6256 29.7489 178.1749 82 E 3.9773 8.1707 118.5632 59.5444 29.8190 178.7645 83 Q 4.0409 8.1748 118.0606 58.7476 28.8574 178.6791 84 I 3.6722 8.0278 121.1016 64.4597 37.1389 177.9820 85 E 4.1349 8.6262 119.8059 59.7540 29.1411 178.9704 86 N 4.4668 8.1164 115.4061 56.9715 39.0335 175.7949 87 Y 4.0256 7.6251 119.0515 60.8708 39.1283 177.9770 88 F 4.4522 8.2278 117.8398 59.8895 38.7837 177.3471 89 E 4.0915 8.1859 115.3951 57.9775 29.5887 177.2655 *91 F 4.7581 7.9179 122.9633 58.1634 41.1884 176.7703 92 L 3.9018 8.0526 119.9074 56.7407 41.6542 178.9354 93 T 3.9113 7.6665 107.8053 63.7182 68.9627 174.9804 94 K 4.3159 7.6848 120.0962 54.9346 32.5891 176.5552 95 K 3.8332 7.5114 118.0272 56.6620 29.9895 173.8104 96 P 4.6302 0.0000 0.0000 62.7980 32.6432 177.0010 97 K 4.6451 9.0835 121.5179 54.7835 35.3181 175.6472 98 G 4.4067 9.8709 113.2365 44.6289 0.0000 173.1496 99 V 4.8087 8.4118 120.1386 59.7345 35.4108 174.4077 100 I 4.2084 8.2954 123.9147 61.1218 37.8356 175.9556 101 N 5.0565 9.1570 124.5920 54.2970 40.2676 175.2126 102 Y 4.8171 7.4737 117.9031 56.3814 42.3747 173.4943 103 R 4.6864 7.5624 125.8673 54.4415 33.5459 174.0564 104 T 4.5188 8.6600 115.4790 59.6864 71.9703 172.7582 105 V 4.8308 8.3126 123.6799 61.1731 34.1941 174.5795 106 R 4.6726 9.0737 126.6534 54.3612 33.5252 174.2466 107 L 4.4442 8.6046 123.6480 53.9253 42.7214 175.1060 108 L 4.2506 9.2999 128.4101 56.8400 43.0508 181.8261 109 D 4.7851 7.4514 130.8523 54.5222 40.8810 179.3880 110 D 4.8182 8.6791 113.8126 56.1645 40.6800 173.2976 111 D 4.9163 7.9729 116.1970 54.2811 43.2030 175.1367 112 S 5.6708 8.2007 112.2859 57.3751 66.7261 172.5643 113 A 5.1655 9.2919 122.1004 50.8852 23.2519 175.1371 114 V 4.7492 8.9919 119.7842 61.1254 34.6755 173.7804 115 D 5.4250 9.0331 127.9065 52.6383 43.1687 174.7769 116 A 4.2999 8.8795 127.2722 48.8990 22.7778 175.4232 117 G 3.7297 5.7284 109.6451 46.0535 0.0000 172.9266 118 V 4.9238 8.2126 124.0978 61.0637 34.7331 174.1662 119 Y 5.4596 9.3279 124.5035 55.6844 42.2566 173.9510 120 T 5.1451 8.7529 115.7591 61.8667 72.2501 173.1351 121 F 5.3469 9.2718 125.1486 56.2665 41.9017 174.8059 122 T 5.1921 8.8775 120.1765 61.6479 70.1292 173.8752 123 L 5.1464 9.2404 126.6131 53.1999 45.1492 175.5487 124 T 5.1449 8.9694 118.4232 61.9080 72.0080 174.2604 125 D 4.6175 9.3243 129.0455 52.1842 41.4410 177.8999 126 K 3.8476 8.7695 122.3868 58.1578 31.4599 174.8827 127 N 4.8421 8.2492 113.8233 52.0269 37.7103 178.2004 128 G 3.9575 8.3298 109.1267 46.7072 0.0000 175.0254 129 K 4.3247 9.9280 124.6833 54.7521 32.7861 181.4111 130 K 5.6874 8.7978 124.0506 53.8172 34.6851 175.6663 131 S 4.7521 8.2983 114.7737 57.5579 66.4734 172.4639 132 D 5.5963 8.7692 120.3631 52.6142 44.1237 175.0938 133 V 4.4830 9.0866 122.7783 61.1936 34.3318 173.9686 134 Q 5.1521 8.9598 128.9001 55.3390 30.4168 174.3074 135 A 5.0428 9.3761 126.3131 50.7969 23.3634 175.6434 136 R 4.7275 9.1409 119.5291 55.8791 32.0709 175.4041 137 Y 5.0862 8.3463 119.0267 55.6106 42.0140 174.1183 138 T 4.8305 8.7084 117.2067 61.8804 72.5891 172.6933 139 F 4.8908 9.5354 125.6334 55.5787 41.6175 174.7129 140 V 4.6198 8.7153 124.4801 61.4306 33.4510 173.9120 141 Y 5.4511 9.0030 126.1906 56.4729 40.8779 174.4393 142 E 5.3131 9.5456 123.1919 54.4435 33.2827 174.1403 143 K 4.5322 9.0075 129.0811 55.2158 33.0486 175.9993 144 R 4.5046 8.7336 126.8694 55.6394 33.1599 175.4925 145 D 4.4613 9.6416 121.4906 55.4686 38.4091 174.8987 146 G 3.7814 8.2116 104.0879 45.5943 0.0000 173.7728 147 K 4.5891 7.5398 119.7339 53.9731 34.8767 175.6617 148 W 4.9648 8.7585 124.8727 56.7795 29.8145 175.6459 149 L 5.1695 9.1692 123.3069 52.8529 46.0952 175.8058 150 I 4.3171 8.8347 123.4669 61.5453 37.5504 176.5451 151 I 4.1407 9.2193 128.4458 62.2388 39.7801 174.8542 152 N 5.5838 7.9222 120.0143 52.1973 42.7541 172.5438 153 H 5.1593 9.5665 125.4745 54.7081 33.2800 171.1188 154 H 5.2646 9.0309 126.0352 54.3556 32.3505 172.4202 155 S 5.2819 9.1678 120.4042 56.6082 65.8333 172.6832 156 S 4.7069 9.2916 120.6308 57.3675 66.5836 173.1474 157 A 4.3576 9.1757 124.6681 52.9957 17.0933 177.1188 *159 P 4.4456 0.0000 0.0000 62.1075 33.6716 176.9796 160 E 4.6830 8.0818 117.5876 54.4336 31.1996 175.4774 161 V 4.4270 8.2785 115.6430 60.8378 35.2471 175.4116 162 D 4.8919 8.8342 121.4593 54.6244 40.0430 174.9620 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 21 G 8.35 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 22 V 8.40 3.69 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 0.76 0.00 0.00 0.96 0.00 0.00 *24 H 9.90 4.54 0.00 3.48 3.36 0.00 5.49 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.86 4.39 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 26 T 8.52 4.35 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 27 D 7.84 4.92 0.00 2.78 2.63 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 28 K 8.26 4.97 0.00 1.66 1.73 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.51 7.81 29 A 9.05 4.24 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.55 4.13 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 31 L 8.60 3.78 0.00 1.60 1.64 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.44 0.00 2.19 1.92 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.03 0.00 33 A 8.78 3.99 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 34 D 7.49 4.30 0.00 2.67 2.39 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 35 G 8.19 3.92 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 0.00 0.00 0.00 36 E 8.93 3.94 0.00 2.01 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 0.00 2.48 2.41 0.00 37 A 8.02 3.90 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 38 R 7.88 3.77 0.00 1.97 2.09 0.00 3.40 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 39 E 7.81 3.84 0.00 2.04 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 2.26 2.34 0.00 40 V 7.81 2.95 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 0.73 0.00 0.00 0.41 0.00 0.00 41 A 8.16 4.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.00 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.45 3.74 0.00 1.18 1.20 -0.91 0.46 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 44 F 7.80 3.85 0.00 2.83 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 45 D 8.13 4.24 0.00 2.87 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 46 T 7.66 3.79 4.36 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 1.19 0.00 0.00 47 W 8.08 3.99 0.00 3.19 3.09 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 48 N 8.30 3.97 0.00 2.19 2.68 0.00 0.00 7.16 8.70 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 49 A 7.82 3.90 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 50 A 7.87 3.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.46 3.58 0.00 1.65 1.51 0.90 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.46 3.96 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 53 T 7.50 3.90 4.18 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 1.20 0.00 0.00 54 G 7.77 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 55 N 7.73 4.65 0.00 2.70 2.67 0.00 0.00 7.17 7.80 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 56 P 0.00 4.33 0.00 2.23 2.21 0.00 3.54 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 2.08 2.19 0.00 57 H 8.23 4.27 0.00 3.34 3.34 0.00 5.64 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 58 K 7.65 4.01 0.00 1.77 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.56 7.81 59 V 7.60 3.52 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 0.06 0.00 0.00 0.58 0.00 0.00 60 A 8.26 4.24 1.50 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 0.00 0.00 61 D 8.17 4.42 0.00 2.94 2.82 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 62 L 8.28 4.36 0.00 1.99 1.75 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.12 4.96 0.00 3.17 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 64 A 8.78 4.28 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 65 P 0.00 4.39 0.00 2.10 2.20 0.00 3.73 0.00 0.00 3.79 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 66 D 8.01 4.90 0.00 2.81 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 67 G 8.38 4.03 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 0.00 0.00 0.00 68 V 8.75 4.62 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 1.00 0.00 0.00 0.95 0.00 0.00 69 L 8.97 5.01 0.00 1.72 1.34 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.84 4.68 0.00 1.23 1.24 0.85 0.65 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 71 P 0.00 4.42 0.00 0.78 0.72 0.00 3.53 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.26 0.00 72 T 8.20 4.19 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 1.31 0.00 0.00 73 V 7.68 4.40 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 0.72 0.00 0.00 0.99 0.00 0.00 74 S 7.71 4.77 0.00 3.96 3.69 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 75 N 8.76 4.36 0.00 2.72 2.85 0.00 0.00 6.95 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 76 E 7.73 4.14 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 77 V 8.25 3.69 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.86 0.00 0.00 78 R 8.87 4.58 0.00 1.73 1.76 0.00 3.40 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.00 79 A 9.71 5.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.76 4.78 0.00 4.01 3.92 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 81 R 8.57 3.89 0.00 1.95 2.01 0.00 3.24 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 82 E 8.17 3.98 0.00 2.10 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 2.40 2.43 0.00 83 Q 8.17 4.04 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 84 I 8.03 3.67 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.18 0.73 0.00 0.00 85 E 8.63 4.13 0.00 2.20 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 0.00 2.47 2.59 0.00 86 N 8.12 4.47 0.00 2.81 3.08 0.00 0.00 7.24 7.15 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 87 Y 7.63 4.03 0.00 2.83 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 88 F 8.23 4.45 0.00 3.28 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 89 E 8.19 4.09 0.00 2.09 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 2.36 2.50 0.00 *91 F 7.92 4.76 0.00 2.26 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.05 3.90 0.00 1.75 1.58 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.67 3.91 4.18 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 1.18 0.00 0.00 94 K 7.68 4.32 0.00 1.69 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.25 7.81 95 K 7.51 3.83 0.00 1.79 1.77 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.32 7.81 96 P 0.00 4.63 0.00 1.70 1.23 0.00 3.34 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.51 0.00 97 K 9.08 4.65 0.00 1.77 1.77 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.52 7.81 98 G 9.87 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.41 4.81 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 0.77 0.00 0.00 0.97 0.00 0.00 100 I 8.30 4.21 1.77 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.40 0.85 0.00 0.00 101 N 9.16 5.06 0.00 2.75 3.05 0.00 0.00 6.68 7.06 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 0.00 102 Y 7.47 4.82 0.00 3.05 2.48 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 0.00 103 R 7.56 4.69 0.00 1.64 1.50 0.00 3.14 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.72 0.00 104 T 8.66 4.52 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 105 V 8.31 4.83 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 0.79 0.00 0.00 0.86 0.00 0.00 106 R 9.07 4.67 0.00 1.69 1.76 0.00 3.30 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 107 L 8.60 4.44 0.00 1.55 1.65 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.30 4.25 0.00 1.82 1.57 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 109 D 7.45 4.79 0.00 2.74 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.68 4.82 0.00 2.69 2.59 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 0.00 111 D 7.97 4.92 0.00 2.55 2.60 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 0.00 0.00 0.00 0.00 112 S 8.20 5.67 0.00 4.12 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 0.00 113 A 9.29 5.17 1.15 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 0.00 0.00 0.00 0.00 0.00 114 V 8.99 4.75 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 1.01 0.00 0.00 0.93 0.00 0.00 115 D 9.03 5.43 0.00 2.93 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 0.00 116 A 8.88 4.30 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 5.73 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.21 4.92 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.30 0.00 0.00 119 Y 9.33 5.46 0.00 2.87 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 0.00 120 T 8.75 5.15 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 1.31 0.00 0.00 121 F 9.27 5.35 0.00 3.11 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 0.00 122 T 8.88 5.19 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 1.25 0.00 0.00 123 L 9.24 5.15 0.00 1.55 1.52 1.03 0.50 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 0.00 124 T 8.97 5.14 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 1.19 0.00 0.00 125 D 9.32 4.62 0.00 2.77 2.82 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 0.00 126 K 8.77 3.85 0.00 1.80 1.79 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.02 7.81 127 N 8.25 4.84 0.00 2.73 2.70 0.00 0.00 6.75 7.51 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 0.00 128 G 8.33 3.96 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 0.00 0.00 0.00 129 K 9.93 4.32 0.00 1.47 1.70 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.29 7.81 130 K 8.80 5.69 0.00 1.64 1.77 0.00 1.80 0.00 0.00 2.43 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.26 7.81 131 S 8.30 4.75 0.00 3.89 3.93 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 0.00 132 D 8.77 5.60 0.00 2.73 2.66 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 0.00 133 V 9.09 4.48 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 1.19 0.00 0.00 1.04 0.00 0.00 134 Q 8.96 5.15 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.52 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 135 A 9.38 5.04 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.14 4.73 0.00 1.72 1.67 0.00 3.14 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 137 Y 8.35 5.09 0.00 2.24 1.64 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 0.00 138 T 8.71 4.83 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 1.10 0.00 0.00 139 F 9.54 4.89 0.00 2.51 1.74 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 0.00 140 V 8.72 4.62 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 0.92 0.00 0.00 0.88 0.00 0.00 141 Y 9.00 5.45 0.00 2.82 2.99 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 0.00 142 E 9.55 5.31 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 143 K 9.01 4.53 0.00 0.79 0.96 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.90 0.86 7.81 144 R 8.73 4.50 0.00 1.81 1.74 0.00 3.36 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 145 D 9.64 4.46 0.00 2.74 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 0.00 146 G 8.21 3.78 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 0.00 0.00 0.00 147 K 7.54 4.59 0.00 1.78 1.71 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.25 7.81 148 W 8.76 4.96 0.00 3.06 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 0.00 149 L 9.17 5.17 0.00 1.67 1.71 0.99 0.65 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 0.00 150 I 8.83 4.32 1.44 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 0.95 0.70 0.93 0.00 0.00 151 I 9.22 4.14 1.96 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 1.17 1.33 1.00 0.00 0.00 152 N 7.92 5.58 0.00 2.83 2.54 0.00 0.00 6.61 7.89 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 0.00 153 H 9.57 5.16 0.00 3.20 3.28 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 H 9.03 5.26 0.00 3.14 2.94 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 9.17 5.28 0.00 3.86 3.59 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 0.00 156 S 9.29 4.71 0.00 3.91 3.93 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 0.00 157 A 9.18 4.36 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *159 P 0.00 4.45 0.00 2.23 2.25 0.00 3.78 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 1.90 2.01 0.00 160 E 8.08 4.68 0.00 1.98 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 2.23 2.31 0.00 161 V 8.28 4.43 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 0.78 0.00 0.00 0.95 0.00 0.00 162 D 8.83 4.89 0.00 2.72 2.99 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 * Residues marked with a * may have inaccurate shift predictions.