NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3288 8.2531 123.5814 51.4666 20.6379 176.8402 3 G 4.0172 7.6429 101.8386 43.0768 0.0000 170.5149 4 D 4.6399 9.2033 122.4412 53.8152 43.1005 174.0130 5 T 4.5761 8.2410 116.7488 62.9457 69.7501 174.5888 6 T 5.2810 8.5151 116.4042 60.0718 71.7815 173.3980 7 I 4.6939 8.6447 115.1348 59.9103 41.6437 173.9214 8 T 4.9863 8.5441 120.3818 62.0867 70.5765 173.1874 9 I 4.4908 8.6932 127.5465 58.9953 40.7837 174.2203 10 V 4.6781 8.2359 128.8473 61.1357 33.7162 175.5060 11 G 3.9019 7.4029 112.5718 45.9916 0.0000 171.1396 12 N 6.0848 7.4736 115.5606 50.4278 42.1353 174.4729 13 L 4.6095 8.3025 122.0834 54.7060 42.1349 177.8761 14 T 4.0413 8.6419 115.6521 64.9017 69.1178 173.8823 15 A 4.4931 7.7043 121.3866 50.7484 21.9870 175.0767 16 D 4.4986 8.5133 119.3431 54.0561 41.3570 175.2135 17 P 4.5998 0.0000 0.0000 62.8032 32.2139 175.9973 18 E 4.2407 9.2622 126.8771 55.2293 30.0758 174.4280 19 L 4.6685 8.2844 129.6518 54.0683 43.2502 175.4635 20 R 4.9111 8.6941 124.7005 54.4434 34.9979 173.9580 21 F 5.2836 8.6333 117.2557 55.9069 42.6625 175.6556 22 T 4.2634 9.0592 114.0893 60.4987 69.5936 173.5747 23 P 4.3070 0.0000 0.0000 65.8920 31.2017 178.1157 24 S 4.1975 8.0273 112.2636 59.1744 63.1108 174.2442 25 G 3.9670 7.7795 108.3289 45.4071 0.0000 174.1964 26 A 4.2963 7.9633 122.9861 52.1102 19.2065 177.4023 27 A 4.0518 8.8042 124.3653 52.1603 20.3003 176.6253 28 V 3.9509 8.0349 118.8304 61.5922 35.4580 172.7487 29 A 5.1414 8.4897 129.7938 50.1788 21.7190 174.7727 30 N 5.5231 8.5294 118.5494 50.4286 42.3753 173.5667 31 F 5.0564 7.1306 115.0003 56.9910 40.8438 172.2939 32 T 5.1450 7.9834 108.5119 60.1276 72.1354 172.8511 33 V 4.5123 9.1438 125.5715 62.1666 33.4782 174.6474 34 A 4.2793 9.1293 130.6779 50.3734 19.9834 174.9829 35 S 4.8262 8.5377 117.2144 58.0943 63.7367 172.9687 36 T 4.8460 8.3273 118.8530 59.3901 69.9382 172.3967 37 P 4.6430 0.0000 0.0000 61.9725 33.4533 175.2841 38 R 5.0239 8.3934 122.6443 56.2066 31.7342 176.4963 39 I 5.0003 9.7249 122.5940 59.0060 39.8763 173.4988 40 Y 4.8931 8.7191 127.4385 55.0729 40.3190 175.4032 41 D 4.3939 8.9567 127.5030 54.1609 39.7049 177.3396 42 R 2.7506 8.0067 122.5421 57.2832 30.3537 177.4473 43 Q 4.0340 7.9044 121.5675 55.1954 29.3033 175.7864 44 T 3.4043 8.4675 114.5913 60.2303 67.6583 171.5150 45 G 4.1684 8.4595 108.2138 46.3357 0.0000 173.6870 46 E 4.5300 8.0823 119.4850 55.7626 30.1136 177.1741 47 W 4.6592 8.7962 129.6452 58.4413 29.9793 175.9378 *48 K 4.6665 9.6939 124.7043 53.6301 36.0675 176.7702 49 D 4.7255 8.9146 121.9508 53.8384 40.0464 177.1251 50 G 3.9690 8.8913 114.7891 46.1472 0.0000 170.5614 *51 E 4.1078 8.7617 116.5039 55.7959 29.8533 172.4457 52 A 4.4819 8.5057 126.4662 50.8110 19.7768 175.9493 53 L 4.6954 8.7747 122.4507 53.2739 44.6810 175.1718 54 F 5.1840 8.9715 124.4896 55.8003 41.1597 174.7368 55 L 4.7789 8.6316 124.2578 52.7165 44.7017 176.0796 56 R 4.6003 8.5698 124.5644 56.2086 31.8619 174.7232 57 C 5.2838 9.4753 123.5150 57.7074 32.5615 172.5553 58 N 5.0452 8.7296 119.9124 50.8990 39.6719 173.0832 59 I 4.6494 8.2833 123.3024 58.9572 41.1780 174.1781 60 W 4.9803 8.7054 126.1980 54.6701 32.8580 176.9776 61 R 3.7767 8.7563 120.1352 57.6935 28.8102 179.9229 62 E 4.0836 8.8189 121.3499 60.0066 29.2115 178.5569 63 A 3.9684 8.0632 120.6073 55.0137 18.5302 179.1372 64 A 3.9316 7.7284 119.3508 55.5691 18.4628 179.6421 65 E 3.9392 7.9904 116.4421 59.7869 29.2983 179.4835 66 N 4.3821 8.3725 115.8448 56.1248 38.7881 177.4562 67 V 3.5999 8.0591 119.8966 65.9113 31.5122 177.6227 68 A 3.9866 8.1278 120.0360 55.2294 18.2875 178.4345 69 E 4.2520 8.0061 114.5167 57.0561 30.0124 176.7463 70 S 4.5902 8.2760 113.3079 59.1713 65.4032 174.2411 71 L 4.6995 7.6650 118.4659 52.9651 43.9152 175.4342 72 T 4.7800 7.7417 110.5511 59.4913 71.9810 172.5624 73 R 3.8942 8.3523 121.2399 58.3762 30.1386 176.6297 74 G 3.8764 9.0605 111.8867 46.0167 0.0000 173.3756 75 A 4.1661 7.5467 121.6836 51.5959 19.7945 177.3418 76 R 4.7664 8.5183 122.1160 55.9944 31.6422 175.6311 77 V 4.9628 9.0300 118.5023 59.8965 36.9864 173.9398 78 I 4.6201 8.7214 123.4216 59.6336 39.7019 175.0016 79 V 4.7568 8.5237 126.3212 61.1395 34.5523 173.8102 80 S 5.0871 9.0309 123.5360 56.9132 64.6203 173.2630 81 G 4.5981 8.7314 113.3392 45.9288 0.0000 171.1533 82 R 5.2367 8.5277 118.2254 54.0670 33.2686 175.7507 83 L 4.5948 8.7013 124.3973 54.7315 42.5069 176.7603 84 K 4.5872 9.2142 122.6542 54.6069 36.2549 175.0868 85 Q 4.8526 8.6947 125.9608 54.6567 29.6675 175.2072 86 R 4.4102 8.5005 127.2281 56.0527 32.6847 175.9596 87 S 5.0554 8.4951 116.2224 58.0384 65.7410 173.9021 88 F 5.1104 9.3087 120.1332 54.9521 40.2688 174.4899 89 E 4.4468 8.5677 120.7436 54.7863 31.0950 176.1791 90 T 3.9348 7.1119 111.0359 61.8428 68.9812 174.0892 91 R 3.7127 8.6354 120.9799 58.9546 29.3795 176.9036 *95 K 3.9733 7.6189 119.0871 54.5300 33.4306 178.6137 *96 R 5.2139 7.5563 121.7070 58.9096 32.8303 174.4175 97 T 5.2204 8.7013 118.7992 58.8262 72.1636 170.6288 98 V 4.4999 8.1613 119.8364 61.7678 35.6171 174.2477 99 I 4.9616 8.3896 126.9112 59.7315 38.5829 174.5422 100 E 4.8354 9.0822 124.6428 54.4467 33.7675 174.4930 101 V 4.6889 8.7180 119.8449 61.1626 34.2373 174.0160 102 E 5.0300 8.8724 128.8109 54.2947 31.0665 175.1254 103 V 4.1771 8.1942 128.3935 63.4194 31.6704 175.3361 104 D 5.0040 8.8520 126.2030 55.3129 43.4245 176.5522 105 E 4.8349 7.9477 115.4910 55.3961 34.0675 174.3102 106 I 5.4062 7.7484 122.5152 60.4192 41.2599 173.6982 107 G 4.3700 8.3949 114.1147 44.1100 0.0000 169.9991 108 P 4.8862 0.0000 0.0000 62.3517 32.4537 175.9409 109 S 4.2027 8.7630 119.7968 57.6135 63.4754 174.0782 110 L 5.0285 8.2701 126.6938 54.7383 41.2425 178.5956 111 R 3.7912 7.3326 119.7205 58.1794 30.4165 177.5902 112 Y 4.7253 7.0016 115.9296 57.0250 39.0794 175.3107 113 A 4.2838 7.2399 120.5599 52.4952 21.6921 176.4045 114 T 4.8326 7.9660 109.8559 60.9439 71.3859 173.5354 115 A 4.1896 8.0244 121.9186 52.3813 21.4434 176.7585 116 K 4.3434 8.6992 124.0162 52.8861 32.3961 174.7957 117 V 4.0872 8.2208 125.3261 60.5117 32.1982 174.9126 118 N 4.7562 8.4965 125.3939 51.2530 38.9065 175.1810 119 K 4.2227 8.4754 122.6652 56.5638 33.9632 178.9859 120 A 4.7631 7.8080 126.9476 51.3077 17.0226 181.3636 121 S 4.4216 8.5785 117.3817 60.2307 63.9795 173.2854 122 R 4.5885 8.2337 122.7894 55.0360 33.3307 175.1166 123 S 4.3611 8.3472 116.8571 57.5533 63.1876 174.5702 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 2 A 8.25 4.33 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 3 G 7.64 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.20 4.64 0.00 2.66 2.64 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 5 T 8.24 4.58 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 1.21 0.00 0.00 6 T 8.52 5.28 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 1.22 0.00 0.00 7 I 8.64 4.69 1.87 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 1.24 0.55 0.92 0.00 0.00 8 T 8.54 4.99 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 1.20 0.00 0.00 9 I 8.69 4.49 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.48 0.98 0.00 0.00 10 V 8.24 4.68 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 0.87 0.00 0.00 0.90 0.00 0.00 11 G 7.40 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.47 6.08 0.00 2.68 2.67 0.00 0.00 6.99 6.10 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 13 L 8.30 4.61 0.00 1.66 1.77 0.74 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.64 4.04 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 1.55 0.00 0.00 15 A 7.70 4.49 1.25 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 0.00 0.00 16 D 8.51 4.50 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.60 0.00 1.92 2.04 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 18 E 9.26 4.24 0.00 2.05 1.83 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 2.25 2.24 0.00 19 L 8.28 4.67 0.00 1.59 1.52 0.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.69 4.91 0.00 1.67 1.78 0.00 3.12 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 21 F 8.63 5.28 0.00 2.81 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 22 T 9.06 4.26 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 1.44 0.00 0.00 23 P 0.00 4.31 0.00 2.23 2.27 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 24 S 8.03 4.20 0.00 4.04 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 25 G 7.78 3.97 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 0.00 0.00 0.00 26 A 7.96 4.30 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.80 4.05 1.05 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 28 V 8.03 3.95 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.48 0.00 0.00 29 A 8.49 5.14 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.53 5.52 0.00 2.60 2.53 0.00 0.00 6.50 8.18 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 31 F 7.13 5.06 0.00 3.01 3.11 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 32 T 7.98 5.15 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 1.24 0.00 0.00 33 V 9.14 4.51 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 0.86 0.00 0.00 1.07 0.00 0.00 34 A 9.13 4.28 0.96 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 35 S 8.54 4.83 0.00 3.96 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 36 T 8.33 4.85 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 1.13 0.00 0.00 37 P 0.00 4.64 0.00 2.13 2.18 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 38 R 8.39 5.02 0.00 1.15 1.63 0.00 3.39 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.14 0.00 39 I 9.72 5.00 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 1.11 0.87 0.91 0.00 0.00 40 Y 8.72 4.89 0.00 1.43 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 41 D 8.96 4.39 0.00 3.00 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 42 R 8.01 2.75 0.00 1.52 1.71 0.00 3.02 0.00 0.00 2.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.00 43 Q 7.90 4.03 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 5.71 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 44 T 8.47 3.40 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 1.21 0.00 0.00 45 G 8.46 4.17 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 0.00 46 E 8.08 4.53 0.00 1.93 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 2.13 2.27 0.00 47 W 8.80 4.66 0.00 3.13 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 *48 K 9.69 4.67 0.00 1.33 1.59 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.26 7.81 49 D 8.91 4.73 0.00 2.57 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 50 G 8.89 3.97 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 0.00 0.00 0.00 *51 E 8.76 4.11 0.00 2.00 1.78 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 2.23 1.88 0.00 52 A 8.51 4.48 1.09 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 0.00 0.00 53 L 8.77 4.70 0.00 1.69 1.44 0.96 0.96 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 54 F 8.97 5.18 0.00 2.91 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 55 L 8.63 4.78 0.00 1.59 1.54 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.57 4.60 0.00 1.88 1.69 0.00 3.10 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 57 C 9.48 5.28 0.00 1.58 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 58 N 8.73 5.05 0.00 2.11 2.47 0.00 0.00 6.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.28 4.65 2.02 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 1.31 1.55 1.01 0.00 0.00 60 W 8.71 4.98 0.00 3.42 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 61 R 8.76 3.78 0.00 2.03 1.69 0.00 3.39 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 62 E 8.82 4.08 0.00 2.01 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 0.00 2.45 2.36 0.00 63 A 8.06 3.97 1.43 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 0.00 0.00 64 A 7.73 3.93 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 65 E 7.99 3.94 0.00 2.26 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 2.38 2.46 0.00 66 N 8.37 4.38 0.00 2.80 2.88 0.00 0.00 7.01 7.56 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 67 V 8.06 3.60 2.29 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 0.86 0.00 0.00 0.99 0.00 0.00 68 A 8.13 3.99 1.35 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 69 E 8.01 4.25 0.00 2.00 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 0.00 2.28 2.34 0.00 70 S 8.28 4.59 0.00 3.79 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 71 L 7.67 4.70 0.00 1.43 1.40 0.68 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.74 4.78 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 1.27 0.00 0.00 73 R 8.35 3.89 0.00 1.80 1.89 0.00 3.40 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 74 G 9.06 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 75 A 7.55 4.17 1.25 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 0.00 0.00 76 R 8.52 4.77 0.00 1.96 1.83 0.00 3.35 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 77 V 9.03 4.96 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 0.84 0.00 0.00 0.86 0.00 0.00 78 I 8.72 4.62 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.90 0.00 0.00 79 V 8.52 4.76 2.25 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 1.02 0.00 0.00 1.03 0.00 0.00 80 S 9.03 5.09 0.00 3.91 3.70 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 81 G 8.73 4.60 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 0.00 0.00 0.00 82 R 8.53 5.24 0.00 1.75 1.81 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 83 L 8.70 4.59 0.00 1.53 1.61 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.21 4.59 0.00 1.70 1.66 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.40 7.81 85 Q 8.69 4.85 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 86 R 8.50 4.41 0.00 1.79 1.88 0.00 3.16 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 87 S 8.50 5.06 0.00 3.75 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 88 F 9.31 5.11 0.00 3.07 2.84 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 89 E 8.57 4.45 0.00 1.79 1.81 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 2.18 2.26 0.00 90 T 7.11 3.93 4.12 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 0.00 0.00 1.11 0.00 0.00 91 R 8.64 3.71 0.00 1.92 2.05 0.00 3.18 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 *95 K 7.62 3.97 0.00 1.71 1.74 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 *96 R 7.56 5.21 0.00 1.51 1.86 0.00 3.17 0.00 0.00 3.37 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.00 97 T 8.70 5.22 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 1.21 0.00 0.00 98 V 8.16 4.50 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 0.79 0.00 0.00 0.70 0.00 0.00 99 I 8.39 4.96 1.87 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 1.40 0.75 0.91 0.00 0.00 100 E 9.08 4.84 0.00 2.01 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 2.12 2.18 0.00 101 V 8.72 4.69 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 102 E 8.87 5.03 0.00 2.14 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 0.00 2.46 2.53 0.00 103 V 8.19 4.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.05 0.00 0.00 104 D 8.85 5.00 0.00 2.72 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 0.00 105 E 7.95 4.83 0.00 1.86 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 2.33 2.25 0.00 106 I 7.75 5.41 1.94 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 1.16 0.40 0.93 0.00 0.00 107 G 8.39 4.37 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 0.00 108 P 0.00 4.89 0.00 2.06 2.03 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 109 S 8.76 4.20 0.00 3.91 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 0.00 110 L 8.27 5.03 0.00 1.63 1.62 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.33 3.79 0.00 1.58 1.66 0.00 2.96 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.63 0.00 112 Y 7.00 4.73 0.00 2.95 2.86 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 0.00 113 A 7.24 4.28 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 7.97 4.83 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 0.00 115 A 8.02 4.19 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.70 4.34 0.00 1.77 1.63 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.97 7.81 117 V 8.22 4.09 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 0.97 0.00 0.00 0.92 0.00 0.00 118 N 8.50 4.76 0.00 2.74 2.76 0.00 0.00 7.19 7.61 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 0.00 119 K 8.48 4.22 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.44 7.81 120 A 7.81 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.58 4.42 0.00 3.94 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 0.00 122 R 8.23 4.59 0.00 1.88 1.81 0.00 3.00 0.00 0.00 3.28 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 123 S 8.35 4.36 0.00 3.97 3.85 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 * Residues marked with a * may have inaccurate shift predictions.