NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3463 8.2493 123.5862 51.8077 19.8078 177.8783 3 R 4.7185 8.3559 120.2093 55.2529 26.1889 174.6268 4 I 3.5669 7.7295 127.6046 65.0150 38.9540 180.6046 5 A 4.2950 7.7704 126.5748 51.9702 19.3516 176.9736 6 G 4.1910 8.5927 105.5734 48.7689 0.0000 176.6575 7 V 4.4810 7.3962 119.4325 61.5452 32.0109 174.3052 8 E 4.6237 8.4318 118.0852 54.3717 31.4379 175.4676 9 I 4.4393 8.1333 125.2610 58.2439 37.7789 173.4077 10 P 4.6031 0.0000 0.0000 63.1608 32.0427 175.1193 11 R 4.2331 8.6039 115.4361 56.7587 33.5942 175.6334 12 N 4.1975 8.0229 114.3460 54.8178 37.4964 173.0727 13 K 4.6464 8.1127 119.3967 53.9139 36.6579 175.3282 14 R 4.9610 8.2677 115.2914 55.8677 30.2258 177.8641 15 V 3.5961 8.6440 116.2115 64.6569 31.2050 178.3776 16 D 4.4379 7.9084 117.7700 56.3613 39.9172 178.1353 17 V 3.8320 7.9482 119.1774 63.1250 31.6339 177.7198 18 A 3.7428 7.2765 119.5570 55.6931 18.0908 179.6104 19 L 4.0856 7.8632 115.2413 57.8356 41.7420 179.3387 20 T 4.3738 7.4730 117.0763 66.0878 68.1622 176.6525 21 Y 4.6514 7.6025 115.7724 58.2509 37.3451 175.6850 22 I 5.6100 8.3422 119.7689 58.4277 40.4447 174.5050 23 Y 4.0859 8.7022 125.7760 59.8131 38.4279 175.8238 24 G 4.0924 8.6426 115.0214 45.2210 0.0000 172.6629 25 I 4.2762 7.9303 121.1902 59.3063 39.9843 175.0308 26 G 4.3727 8.1311 115.4673 43.2370 0.0000 171.8113 27 K 3.8301 8.7205 118.5295 59.3989 31.9116 178.3129 28 A 4.1181 7.4473 121.1326 53.9502 18.7786 178.4474 29 R 4.0831 8.2066 116.5867 57.6050 30.9982 178.3944 30 A 4.2825 7.8392 121.9923 54.6814 19.0503 179.0063 31 K 4.2159 8.4739 112.3989 57.1820 32.4933 177.9824 32 E 4.4820 8.3622 119.5911 58.1673 30.4680 177.3907 33 A 4.3685 8.0244 117.4727 53.6489 18.8704 178.4882 34 L 4.4650 8.0579 118.9370 55.5686 41.8356 178.4470 35 E 4.0599 8.0035 117.6147 58.7219 29.7316 178.3506 36 K 3.8506 7.6606 116.6352 57.4039 32.4397 177.7732 37 T 4.2585 7.2553 110.2325 60.1969 71.2113 173.3056 38 G 3.7746 8.1537 107.8231 45.6085 0.0000 174.0938 39 I 4.3211 7.0529 116.2694 59.1339 40.9459 174.8403 40 N 4.1696 8.9329 124.5275 53.3526 38.7520 173.0820 41 P 4.1569 0.0000 0.0000 65.7159 31.4571 177.9439 42 A 4.0747 8.1946 118.7262 54.1347 18.8325 178.6532 43 T 4.2597 7.6730 106.7592 61.0095 69.9321 173.3943 44 R 5.0619 8.1124 118.5913 54.7510 33.8652 175.8097 45 V 3.7262 8.7516 121.6532 65.6877 31.7253 178.5604 46 K 4.1777 8.1927 114.5552 56.6270 31.8746 175.8421 47 D 4.4868 7.8972 117.1275 52.9955 42.1680 175.8108 48 L 4.5890 8.2988 123.3972 54.2196 42.2438 174.3088 49 T 3.9920 8.9675 118.4045 64.3403 70.4417 175.5471 50 E 4.0651 8.7233 122.1921 58.9976 29.4863 179.7126 51 A 3.9589 7.8762 120.8399 55.0999 18.5468 178.8475 52 E 4.0269 8.1672 116.6847 59.8212 29.1525 179.3555 53 V 3.6616 7.7635 117.7600 67.0608 31.2792 177.6328 54 V 3.6279 7.9538 117.9659 65.1328 31.2783 177.4193 55 R 3.8851 9.2043 119.4935 60.0780 29.9414 178.1252 56 L 4.0219 8.7419 120.9582 57.7604 42.1214 178.6543 57 R 3.9138 9.5077 119.5593 59.6845 30.1597 178.1097 58 E 4.0545 10.0528 118.4007 59.7833 29.1764 178.1893 59 Y 3.9714 8.2572 118.9094 61.5180 38.5046 178.2356 60 V 3.5479 8.4743 117.4840 67.5120 31.3891 177.5890 61 E 3.7951 8.9738 122.2013 58.5088 29.8397 178.1658 62 N 4.6479 7.5957 114.8495 55.4435 39.6570 175.9212 63 T 3.4097 8.3084 116.9786 65.5264 68.8669 175.0729 64 W 5.0811 6.8944 118.9763 54.5733 31.0719 173.8803 65 K 4.8047 8.3139 117.5670 55.4476 34.9841 175.3077 66 L 4.4780 8.9032 119.0264 55.9059 45.9455 173.3797 67 E 3.5624 8.6536 120.0442 56.8987 29.6132 176.4290 68 G 3.6224 8.4450 118.2229 45.1664 0.0000 172.1632 69 E 4.6605 8.6586 120.8838 55.4782 32.2573 172.3506 70 L 4.5509 8.2263 132.5329 54.6645 41.0085 174.6987 71 R 3.3490 8.4054 121.9070 59.1765 29.8475 177.6334 72 A 3.8620 8.5434 120.2623 53.9611 18.5892 178.5774 73 E 4.3470 8.9052 118.9067 58.4395 29.9577 178.3062 74 V 3.5647 7.7556 116.6721 65.4393 31.6001 176.9740 75 A 4.2643 7.6429 119.2378 53.5357 18.6607 179.2603 76 A 3.9958 7.2375 120.3288 55.2851 18.5352 179.4424 77 N 4.2537 8.8578 115.3370 56.5371 38.3215 177.4870 78 I 3.9144 7.1557 120.1774 63.4595 37.3154 178.1541 79 K 4.0820 7.8638 119.2848 59.3799 32.1875 178.6215 80 R 4.1068 8.0367 118.3537 59.5729 29.4832 178.3828 81 L 4.2333 7.5041 114.2943 55.7831 40.9660 177.7321 82 M 4.6793 7.9082 115.7313 54.8946 32.2948 178.1559 83 D 4.9204 7.5907 120.0362 52.8798 38.6692 178.8582 84 I 3.6787 8.3998 118.0071 62.7396 37.6460 175.9677 85 G 4.0942 9.4710 110.6927 45.4985 0.0000 173.0701 86 C 4.1894 8.0480 113.6750 58.2207 30.5917 174.7610 87 Y 4.1172 8.7749 121.3757 60.8996 38.4317 178.6224 88 R 3.8798 8.1037 118.4111 58.8212 30.7570 177.4937 89 G 3.7756 8.3560 107.9411 48.2074 0.0000 175.3197 90 L 4.4508 7.1963 122.3046 54.7680 41.6671 178.9315 91 R 3.3268 8.6028 115.4408 58.3158 29.3353 176.6358 92 H 4.7326 8.7521 112.5676 57.4782 30.8079 175.5124 93 R 4.0416 7.6672 116.7759 59.0463 30.4617 178.1443 94 R 4.3511 7.3576 113.8122 61.1694 30.0840 180.0572 95 G 3.6872 7.0863 102.0915 46.6785 0.0000 173.4292 96 L 4.5060 9.6181 126.2235 52.5678 46.3136 173.5877 97 P 4.4716 0.0000 0.0000 62.4242 32.4987 177.5261 98 V 4.2246 8.1131 125.9250 61.6324 30.4184 175.5797 99 R 4.5339 7.1454 114.4937 56.2175 31.6202 176.0702 100 G 3.8711 8.5877 106.6347 46.5148 0.0000 172.5682 101 Q 4.4805 7.9256 122.7732 54.4607 33.4773 175.9636 102 R 4.3276 8.3081 115.8510 56.6812 27.9104 177.8626 103 T 4.0720 7.6655 103.6839 62.6581 69.1336 175.7778 104 R 4.2799 7.8177 122.9124 57.2967 30.4076 175.2643 105 T 4.3951 7.2111 104.5313 62.4204 71.6824 177.1054 106 N 4.5644 7.6952 122.9144 50.9251 41.1630 174.5717 107 A 4.1063 8.9348 121.1418 52.8966 17.0594 179.7368 108 R 4.1787 8.1093 112.3683 58.3595 29.8979 177.4280 109 T 4.2696 8.3221 116.4269 65.6083 69.1952 176.2845 110 R 4.4790 7.8028 116.4840 55.5080 30.1936 175.2483 111 K 4.4439 7.6260 118.4626 55.5640 35.7562 176.2692 112 G 3.8026 8.4845 108.0558 44.8778 0.0000 171.4531 113 P 4.3736 0.0000 0.0000 62.2424 31.9919 176.0565 114 R 3.9431 8.3910 118.1150 57.3729 30.2240 177.0426 115 K 4.4808 8.5919 119.2089 55.7129 34.0685 178.4326 116 T 3.1651 8.4722 117.1774 62.9396 68.4114 173.5789 117 V 3.3941 8.8255 130.7063 63.0972 31.8736 170.0125 118 A 4.2622 7.7773 125.9072 52.9673 21.3711 175.2037 119 G 4.0047 8.3110 108.4405 45.6844 0.0000 173.7744 120 K 3.9480 8.3542 119.5858 56.8771 31.9545 176.1981 121 K 4.6583 8.3313 122.3515 54.4417 35.8092 175.8440 122 K 4.4954 8.4304 119.8286 54.7580 34.7280 175.1665 123 A 4.7612 8.1593 122.4730 50.0540 20.6346 175.3035 124 P 4.4188 0.0000 0.0000 64.1788 32.1161 176.6585 125 R 4.1084 7.6815 120.4342 55.9439 31.2558 177.0851 *126 K 4.1215 8.3449 119.1475 55.1243 32.4047 173.1894 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 4.35 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 3 R 8.36 4.72 0.00 2.03 2.02 0.00 2.67 0.00 0.00 3.90 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 4 I 7.73 3.57 1.93 0.00 0.00 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 1.38 0.80 0.97 0.00 0.00 5 A 7.77 4.29 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.59 4.19 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 0.00 7 V 7.40 4.48 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 0.84 0.00 0.00 0.93 0.00 0.00 8 E 8.43 4.62 0.00 2.09 1.89 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 2.33 2.33 0.00 9 I 8.13 4.44 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 0.97 0.00 0.00 10 P 0.00 4.60 0.00 2.18 2.31 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 11 R 8.60 4.23 0.00 1.90 1.87 0.00 3.16 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 12 N 8.02 4.20 0.00 2.77 3.14 0.00 0.00 6.69 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.11 4.65 0.00 1.75 1.59 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 R 8.27 4.96 0.00 2.14 2.17 0.00 3.15 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 15 V 8.64 3.60 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 0.90 0.00 0.00 1.00 0.00 0.00 16 D 7.91 4.44 0.00 2.82 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 17 V 7.95 3.83 1.89 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 1.01 0.00 0.00 0.86 0.00 0.00 18 A 7.28 3.74 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.86 4.09 0.00 1.68 1.84 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.47 4.37 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 1.33 0.00 0.00 21 Y 7.60 4.65 0.00 3.14 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 22 I 8.34 5.61 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.82 1.05 0.00 0.00 23 Y 8.70 4.09 0.00 3.08 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 24 G 8.64 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 0.00 0.00 0.00 25 I 7.93 4.28 2.10 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 1.35 0.98 0.97 0.00 0.00 26 G 8.13 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 27 K 8.72 3.83 0.00 1.83 1.82 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.52 7.81 28 A 7.45 4.12 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.21 4.08 0.00 1.70 2.00 0.00 2.31 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.21 0.00 30 A 7.84 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.47 4.22 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 32 E 8.36 4.48 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 33 A 8.02 4.37 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 0.00 0.00 0.00 0.00 0.00 34 L 8.06 4.47 0.00 1.70 1.70 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.00 4.06 0.00 2.19 2.17 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 2.51 2.26 0.00 36 K 7.66 3.85 0.00 0.79 1.00 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.26 1.34 7.81 37 T 7.26 4.26 4.16 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 1.12 0.00 0.00 38 G 8.15 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 0.00 0.00 0.00 39 I 7.05 4.32 1.85 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 1.40 0.67 0.97 0.00 0.00 40 N 8.93 4.17 0.00 2.78 2.75 0.00 0.00 7.15 7.71 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 41 P 0.00 4.16 0.00 2.07 2.11 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 42 A 8.19 4.07 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 43 T 7.67 4.26 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 1.28 0.00 0.00 44 R 8.11 5.06 0.00 1.76 1.82 0.00 3.37 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 45 V 8.75 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 0.98 0.00 0.00 0.99 0.00 0.00 46 K 8.19 4.18 0.00 1.91 1.90 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.44 7.81 47 D 7.90 4.49 0.00 2.70 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 48 L 8.30 4.59 0.00 2.11 1.63 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.97 3.99 4.33 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 0.00 0.00 0.00 1.24 0.00 0.00 50 E 8.72 4.07 0.00 1.98 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 0.00 2.40 2.32 0.00 51 A 7.88 3.96 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 52 E 8.17 4.03 0.00 2.23 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 2.40 2.39 0.00 53 V 7.76 3.66 2.28 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 1.01 0.00 0.00 0.98 0.00 0.00 54 V 7.95 3.63 2.21 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 0.94 0.00 0.00 1.03 0.00 0.00 55 R 9.20 3.89 0.00 1.84 2.01 0.00 3.11 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 56 L 8.74 4.02 0.00 1.84 1.81 0.98 0.72 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 57 R 9.51 3.91 0.00 2.02 2.08 0.00 3.18 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 58 E 10.05 4.05 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 59 Y 8.26 3.97 0.00 3.05 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 60 V 8.47 3.55 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 1.09 0.00 0.00 1.12 0.00 0.00 61 E 8.97 3.80 0.00 2.01 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 2.34 2.38 0.00 62 N 7.60 4.65 0.00 2.79 2.77 0.00 0.00 6.98 6.84 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 63 T 8.31 3.41 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 -0.21 0.00 0.00 64 W 6.89 5.08 0.00 3.06 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 65 K 8.31 4.80 0.00 1.76 1.76 0.00 2.04 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.61 7.81 66 L 8.90 4.48 0.00 1.67 1.65 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.65 3.56 0.00 2.16 1.89 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 2.31 2.40 0.00 68 G 8.45 3.62 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 0.00 0.00 0.00 69 E 8.66 4.66 0.00 1.98 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 2.26 2.32 0.00 70 L 8.23 4.55 0.00 2.13 1.93 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.41 3.35 0.00 0.98 1.62 0.00 3.04 0.00 0.00 2.98 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 72 A 8.54 3.86 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.91 4.35 0.00 2.06 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 2.27 2.31 0.00 74 V 7.76 3.56 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 0.95 0.00 0.00 1.03 0.00 0.00 75 A 7.64 4.26 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.24 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.86 4.25 0.00 2.72 2.91 0.00 0.00 7.09 7.99 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 78 I 7.16 3.91 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.85 0.00 0.00 79 K 7.86 4.08 0.00 1.86 1.87 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.72 7.81 80 R 8.04 4.11 0.00 1.88 2.15 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 81 L 7.50 4.23 0.00 1.88 1.68 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.91 4.68 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 83 D 7.59 4.92 0.00 2.81 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 84 I 8.40 3.68 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 1.35 0.81 0.92 0.00 0.00 85 G 9.47 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 0.00 0.00 0.00 86 C 8.05 4.19 0.00 3.16 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 87 Y 8.77 4.12 0.00 3.03 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 88 R 8.10 3.88 0.00 1.84 1.93 0.00 3.30 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 89 G 8.36 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 90 L 7.20 4.45 0.00 1.54 1.52 0.89 0.92 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 91 R 8.60 3.33 0.00 1.78 2.07 0.00 2.91 0.00 0.00 2.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.98 0.00 92 H 8.75 4.73 0.00 3.39 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.67 4.04 0.00 1.79 2.00 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 94 R 7.36 4.35 0.00 1.70 1.84 0.00 3.24 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 95 G 7.09 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 0.00 0.00 0.00 96 L 9.62 4.51 0.00 1.55 1.51 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.47 0.00 2.30 2.06 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 98 V 8.11 4.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.64 0.00 0.00 99 R 7.15 4.53 0.00 1.78 1.85 0.00 3.42 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 100 G 8.59 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 0.00 0.00 0.00 101 Q 7.93 4.48 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.56 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 102 R 8.31 4.33 0.00 1.84 1.90 0.00 3.29 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 1.72 1.56 0.00 103 T 7.67 4.07 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 104 R 7.82 4.28 0.00 1.79 1.99 0.00 3.18 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 105 T 7.21 4.40 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 0.00 106 N 7.70 4.56 0.00 2.72 2.84 0.00 0.00 7.02 7.35 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 0.00 107 A 8.93 4.11 1.42 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 0.00 0.00 108 R 8.11 4.18 0.00 1.79 1.98 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 109 T 8.32 4.27 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 0.00 110 R 7.80 4.48 0.00 1.79 1.93 0.00 3.22 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 111 K 7.63 4.44 0.00 1.65 1.81 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.43 7.81 112 G 8.48 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 0.00 0.00 0.00 113 P 0.00 4.37 0.00 2.05 2.02 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 114 R 8.39 3.94 0.00 1.79 1.89 0.00 3.17 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 115 K 8.59 4.48 0.00 1.70 1.81 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.48 7.81 116 T 8.47 3.17 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 0.00 117 V 8.83 3.39 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 0.73 0.00 0.00 1.00 0.00 0.00 118 A 7.78 4.26 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 3.95 0.00 1.76 1.81 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.42 7.81 121 K 8.33 4.66 0.00 1.68 1.65 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.25 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.60 7.81 122 K 8.43 4.50 0.00 1.72 1.73 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.40 7.81 123 A 8.16 4.76 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.42 0.00 2.19 2.18 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 125 R 7.68 4.11 0.00 1.82 1.93 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 *126 K 8.34 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.