NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4042 0.0000 0.0000 61.9248 32.5726 175.6140 3 E 4.6183 8.5910 111.5249 55.6953 32.9012 173.5780 4 T 4.8122 8.6223 115.7628 60.0538 70.4298 172.2806 5 D 5.0181 7.9660 123.2380 52.3374 44.3158 177.9302 *6 F 4.8229 8.4910 123.5798 55.2814 41.4611 171.5195 7 E 4.8796 8.6732 116.8936 57.2997 32.5990 172.1190 8 E 5.1810 8.9300 124.3339 54.7599 32.7663 173.7788 9 K 4.5889 8.9451 127.1214 54.5371 36.1771 176.2487 10 M 4.3702 8.8609 128.8142 54.5428 31.5015 173.3028 11 I 4.0141 9.8056 129.5372 61.9954 35.1291 173.3497 12 L 4.5328 7.7054 124.4426 54.3818 45.1655 176.4475 13 I 5.0624 8.5660 126.5219 59.0920 37.8709 172.5582 14 R 4.7997 9.2286 126.2835 55.9427 34.0941 175.0328 15 R 4.8252 8.7002 122.8720 56.8763 30.7407 177.5768 16 T 4.4754 8.4746 114.2765 59.8432 71.5201 172.3855 17 A 3.4809 8.3886 127.2608 53.3478 18.2423 176.7298 18 R 4.8286 8.3898 122.2303 55.2237 33.4657 171.3887 19 M 5.1603 8.3431 113.3068 55.5758 34.8629 170.7330 20 Q 4.6005 8.7519 118.8162 52.7133 32.7334 173.3670 21 A 4.2704 8.3316 119.1523 54.5802 18.8375 176.3358 22 G 4.3643 9.3136 116.0055 44.8836 0.0000 173.7253 23 G 3.9783 7.1110 115.1410 46.3347 0.0000 173.3121 24 R 5.1485 8.7723 128.1753 55.7927 33.8337 174.4015 25 R 4.4681 8.5113 119.4992 57.7239 32.7211 174.3125 *26 F 4.7437 8.8097 128.2203 57.0183 39.3750 172.7541 27 R 4.6882 8.5036 123.3967 55.4709 33.3371 174.9125 *28 F 4.9558 9.4897 125.2963 55.5430 40.3284 171.8061 29 G 4.4849 9.3722 108.1840 44.3208 0.0000 171.5553 30 A 5.1481 8.5128 128.8118 50.6951 22.3712 176.1086 31 L 4.9744 8.3052 124.8861 53.9669 43.9864 176.8268 32 V 4.6363 8.9257 127.1007 59.4779 35.3413 173.3580 33 V 4.9155 8.7882 123.1682 60.4314 35.5591 176.3757 34 V 4.9132 8.4389 123.8973 59.0320 35.3476 172.4917 35 G 4.3264 9.1056 112.3572 45.9793 0.0000 174.0459 36 D 4.5098 9.1056 121.3150 53.9765 40.5567 179.0434 37 R 4.9922 8.4898 117.4509 58.1496 26.6144 179.4606 38 Q 4.6369 8.5513 112.7500 55.0679 30.1406 178.1835 39 G 3.4446 6.8551 112.2510 46.5913 0.0000 174.1330 40 R 4.9423 7.7932 124.3809 55.8796 32.6376 181.5461 41 V 4.9409 8.1389 120.1537 60.1519 36.6180 171.1697 42 G 4.4339 8.7096 109.3392 46.9581 0.0000 174.0606 43 L 4.9015 8.6863 127.2426 54.7537 43.0425 172.9996 44 G 4.2017 8.3787 102.7651 47.4841 0.0000 173.8727 *45 F 5.2250 8.3575 124.6520 55.3662 40.7351 171.5542 46 G 4.1999 8.7353 114.8320 44.5803 0.0000 171.4920 47 K 5.2419 8.0695 123.9318 53.5310 35.0096 175.6995 48 A 4.3864 8.3530 121.2981 52.5878 23.0158 176.2743 49 P 4.5213 0.0000 0.0000 63.3487 31.2316 178.6301 50 E 4.6756 8.1868 120.9166 58.3543 33.2384 181.8806 51 V 3.7859 8.2759 128.7659 65.2247 32.1141 173.0515 52 P 4.5735 0.0000 0.0000 67.8031 30.1985 180.4054 53 L 4.1532 7.9731 120.7043 59.5093 40.7957 181.1276 54 A 4.4554 8.0975 124.2149 55.8783 17.9929 180.8809 55 V 3.5848 8.2364 119.1970 66.8659 32.1502 180.3441 56 Q 4.4177 8.8478 124.7380 60.9093 27.8831 181.6318 57 K 4.0038 9.1115 126.0828 60.0373 31.6612 180.8719 58 A 4.5634 8.1515 121.6186 54.5913 17.9334 179.8835 59 G 3.5801 8.6841 107.4195 48.2187 0.0000 176.2654 *60 Y 4.1636 8.2834 124.9408 62.4678 36.9456 181.0717 *61 Y 4.3206 7.8401 121.9754 62.2309 37.0235 178.8823 62 A 4.8150 8.4392 125.6122 55.1383 18.0909 179.9852 63 R 4.2447 8.0679 123.9557 61.7252 29.7831 181.5509 64 R 4.4659 7.7155 118.9517 60.8107 30.7297 182.2807 65 N 5.2456 8.6473 120.3166 52.7692 36.4636 178.6800 66 M 4.6805 7.8938 124.0634 54.5922 34.6705 179.9676 67 V 4.2886 8.7531 120.4136 60.6354 34.9493 176.4567 68 E 4.0695 9.1681 127.7859 57.2364 30.0416 174.6421 69 V 4.0983 10.7437 127.6741 59.4966 32.9496 172.8576 70 P 4.5831 0.0000 0.0000 62.3357 29.4050 172.5036 71 L 4.5721 8.3065 127.8352 52.8877 42.6040 176.0511 72 Q 4.4535 8.9276 124.9064 53.8014 29.4917 173.8301 73 N 4.5411 9.3864 124.5644 51.7495 35.9265 171.6681 74 G 4.1549 8.5501 104.7936 46.4310 0.0000 172.4880 75 T 4.9423 8.0120 115.1410 59.0000 72.0864 178.3254 76 I 4.3724 8.1359 118.0653 60.9016 36.4425 170.9864 77 P 4.4635 0.0000 0.0000 65.4511 30.8170 175.7330 *78 H 5.0098 7.6367 116.4429 54.2837 31.8324 174.8466 79 E 4.6095 8.9213 114.6844 59.1267 30.9367 172.8255 80 I 4.2319 7.8001 117.4475 61.3201 40.5754 174.6306 81 E 5.1688 9.0972 125.7618 54.8597 33.2783 174.8191 82 V 4.5325 9.3700 125.8296 59.2180 35.6949 173.0752 83 E 4.5029 9.0582 124.4086 55.5391 31.8588 171.9169 *84 F 4.8763 8.4035 119.6644 56.1238 37.4696 175.7041 85 G 3.7092 8.6544 108.9751 47.7414 0.0000 173.1859 86 A 4.5959 7.8099 121.1747 51.1299 21.4618 176.7220 87 S 4.8637 7.8529 114.8519 57.3622 63.7067 179.8335 88 K 5.2048 8.1029 123.2893 52.7172 32.7449 177.9353 89 I 4.1609 7.7544 122.6422 62.7836 36.9968 178.9736 90 V 4.7893 9.1699 125.7457 61.0126 36.0504 173.8613 91 L 5.1395 9.3032 131.2112 52.6431 44.2678 172.7527 92 K 4.7647 9.2597 127.7710 52.7181 35.2338 174.1300 93 P 4.5195 0.0000 0.0000 62.4417 31.0998 171.9881 94 A 4.8818 8.4057 124.2363 48.7713 22.2785 175.5508 95 A 4.0552 8.8199 125.1819 52.1980 19.0647 176.3918 96 P 4.4128 0.0000 0.0000 63.2338 31.4225 176.2769 97 G 3.9687 9.0687 111.7601 46.3608 0.0000 175.1199 98 T 3.9943 7.7796 113.1172 61.2972 69.1573 179.2639 99 G 3.9207 7.6734 108.6360 45.0290 0.0000 173.9068 100 V 3.7050 7.5562 118.7632 58.9805 32.4044 171.7215 101 I 3.2505 8.5696 117.4429 58.5826 31.9785 174.1440 102 A 4.3876 7.2864 127.2907 51.1472 22.0696 176.5213 103 G 3.7611 8.0447 107.6432 45.2633 0.0000 174.5248 104 A 4.0489 9.0063 124.5010 56.6390 18.3230 180.4366 105 V 3.8700 8.3361 120.5115 63.9902 31.5013 178.6121 106 P 4.4924 0.0000 0.0000 68.1899 31.2075 181.3113 107 R 4.0543 8.5236 119.4280 61.6730 29.2406 181.6081 108 A 4.2805 8.0283 123.1724 55.8275 18.4984 180.3281 109 I 3.9646 7.8409 120.2285 65.8693 35.9410 181.2159 110 L 4.3048 8.5493 127.4030 59.8950 40.5293 181.4820 111 E 4.4659 8.6842 119.9746 60.3591 29.9164 180.8134 112 L 4.6905 7.7362 120.1325 58.5106 41.7743 183.5335 113 A 4.4367 7.7353 118.7648 52.8336 18.2606 177.3849 114 G 4.2326 8.2794 106.4128 47.9961 0.0000 174.8736 115 V 4.3199 7.4511 118.3855 60.4122 31.9759 178.6577 116 T 4.6809 8.7795 107.7547 62.8676 72.7800 172.0366 117 D 5.6841 7.9957 121.5566 53.0311 42.8325 179.9241 118 I 4.8737 8.2322 124.0656 59.0744 40.6320 171.6914 119 L 4.7944 8.6732 124.1722 55.4520 44.6538 175.8140 120 T 5.0789 8.3130 120.3319 59.3658 71.1269 171.3633 121 K 4.6888 10.7800 130.2050 53.8181 34.2911 175.4202 122 E 5.0244 8.7038 124.8397 54.2756 33.7374 173.9139 123 L 4.3721 7.6021 120.6683 52.8762 42.6218 174.5191 124 G 4.2880 8.5836 110.1886 47.9491 0.0000 175.9916 125 S 3.7724 8.1412 116.3039 60.0187 58.9463 173.6899 126 R 4.2347 7.6085 128.9814 56.5590 28.4017 180.3781 127 N 4.7102 8.1644 121.1416 52.2404 38.1113 177.3168 128 P 4.1776 0.0000 0.0000 64.8532 31.6308 175.6773 129 I 3.9949 7.8459 122.2974 65.7724 35.6955 180.7857 130 N 4.8329 8.1253 122.4618 56.9633 37.6476 179.9111 131 I 4.1735 7.8333 120.1566 66.1331 35.3802 182.3904 132 A 4.2764 7.8494 123.6046 55.3276 18.1868 179.0606 *133 Y 4.1285 8.3457 116.8451 61.7513 36.7858 180.9573 134 A 4.2446 8.5111 124.8189 56.3338 18.5975 180.5302 135 T 3.7739 8.4828 114.7777 65.9488 68.4172 179.2057 136 M 4.3296 8.2166 123.6380 60.9584 31.5474 184.3107 137 E 4.1560 8.2572 117.4947 60.8183 29.9749 180.2910 138 A 4.3234 7.7076 121.9052 56.3306 18.2620 180.1725 139 L 4.2672 7.9320 122.2500 59.6655 41.0672 181.8965 140 R 4.5464 8.1440 120.0292 61.0040 29.7476 183.5128 141 Q 4.6720 8.2046 119.4488 57.3093 28.9737 181.7415 142 L 4.2971 7.4598 121.5928 56.0121 41.6163 182.3857 143 R 4.5272 8.4827 121.6890 55.2931 30.8891 176.8710 144 T 4.4329 8.4434 117.4171 60.0080 70.6937 171.5102 145 K 4.0855 8.8807 127.5947 54.5795 29.2554 174.7919 146 A 4.2247 8.2146 126.7209 56.9084 17.9404 180.5482 147 D 4.4688 8.3481 120.8675 59.0953 39.8676 181.9350 148 V 4.3246 8.2984 121.0962 66.0480 32.0869 182.7381 149 E 4.2945 8.1319 119.9538 61.4558 29.7063 181.5762 150 R 4.4548 8.0726 121.5831 60.7194 29.6681 181.1725 151 L 4.8431 7.8761 116.1156 54.8916 43.2664 182.2912 152 R 4.3628 7.9819 117.9057 56.4036 30.2977 182.8113 153 K 4.4463 8.2800 120.2788 54.9728 32.7095 179.0558 154 G 4.0059 8.2782 105.9852 46.0249 0.0000 170.8900 155 E 4.2642 8.5866 118.6929 57.0001 30.6973 175.1725 156 A 3.8888 9.4576 130.1772 52.9903 15.4964 178.3325 *157 H 4.4787 8.0208 115.7853 55.1731 29.1756 172.3507 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 P 0.00 4.40 0.00 2.11 1.93 0.00 3.65 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 1.84 1.59 0.00 3 E 8.59 4.62 0.00 2.02 1.70 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 2.11 1.94 0.00 4 T 8.62 4.81 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 5 D 7.97 5.02 0.00 2.63 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 *6 F 8.49 4.82 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.67 4.88 0.00 1.63 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 2.13 2.09 0.00 8 E 8.93 5.18 0.00 1.73 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 2.14 1.85 0.00 9 K 8.95 4.59 0.00 1.37 1.64 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.26 7.81 10 M 8.86 4.37 0.00 1.80 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.11 0.00 11 I 9.81 4.01 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 1.09 1.10 0.91 0.00 0.00 12 L 7.71 4.53 0.00 1.28 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.57 5.06 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 1.20 1.18 0.91 0.00 0.00 14 R 9.23 4.80 0.00 1.39 1.74 0.00 3.22 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 15 R 8.70 4.83 0.00 1.58 1.73 0.00 3.18 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.19 0.00 16 T 8.47 4.48 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 17 A 8.39 3.48 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.39 4.83 0.00 1.72 1.79 0.00 3.23 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 19 M 8.34 5.16 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.09 0.00 20 Q 8.75 4.60 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 21 A 8.33 4.27 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 22 G 9.31 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 0.00 0.00 0.00 0.00 23 G 7.11 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.77 5.15 0.00 1.57 1.69 0.00 3.27 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 25 R 8.51 4.47 0.00 1.43 1.80 0.00 3.23 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 *26 F 8.81 4.74 0.00 2.06 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 27 R 8.50 4.69 0.00 1.43 1.77 0.00 3.20 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.17 0.00 *28 F 9.49 4.96 0.00 1.92 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.37 4.48 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 0.00 0.00 0.00 30 A 8.51 5.15 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 31 L 8.31 4.97 0.00 1.49 1.55 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.93 4.64 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 0.65 0.00 0.00 0.93 0.00 0.00 33 V 8.79 4.92 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 0.66 0.00 0.00 0.93 0.00 0.00 34 V 8.44 4.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.93 0.00 0.00 35 G 9.11 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 0.00 0.00 0.00 0.00 36 D 9.11 4.51 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.49 4.99 0.00 1.88 2.18 0.00 3.23 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.12 0.00 38 Q 8.55 4.64 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 39 G 6.86 3.44 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 0.00 40 R 7.79 4.94 0.00 1.48 1.77 0.00 3.29 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 41 V 8.14 4.94 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 0.60 0.00 0.00 0.93 0.00 0.00 42 G 8.71 4.43 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 0.00 43 L 8.69 4.90 0.00 1.35 1.57 0.92 0.76 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 44 G 8.38 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 0.00 0.00 0.00 0.00 *45 F 8.36 5.22 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 0.00 0.00 0.00 46 G 8.74 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 0.00 0.00 0.00 0.00 47 K 8.07 5.24 0.00 1.53 1.58 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 0.98 7.81 48 A 8.35 4.39 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 49 P 0.00 4.52 0.00 2.10 1.95 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 50 E 8.19 4.68 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.94 0.00 51 V 8.28 3.79 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 0.74 0.00 0.00 0.93 0.00 0.00 52 P 0.00 4.57 0.00 2.07 2.07 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.67 0.00 53 L 7.97 4.15 0.00 1.64 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.10 4.46 1.39 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 0.00 0.00 55 V 8.24 3.58 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 0.77 0.00 0.00 0.93 0.00 0.00 56 Q 8.85 4.42 0.00 2.01 2.17 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0.00 0.00 0.00 131 I 7.83 4.17 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 1.45 0.54 0.91 0.00 0.00 132 A 7.85 4.28 1.37 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 *133 Y 8.35 4.13 0.00 2.34 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.51 4.24 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 0.00 135 T 8.48 3.77 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 0.00 136 M 8.22 4.33 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 137 E 8.26 4.16 0.00 2.06 1.92 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 2.23 1.96 0.00 138 A 7.71 4.32 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 0.00 139 L 7.93 4.27 0.00 1.78 1.62 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.14 4.55 0.00 1.89 1.87 0.00 3.22 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 141 Q 8.20 4.67 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 142 L 7.46 4.30 0.00 1.66 1.49 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.48 4.53 0.00 1.81 1.74 0.00 3.17 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 144 T 8.44 4.43 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 0.00 145 K 8.88 4.09 0.00 1.87 1.98 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 0.99 7.81 146 A 8.21 4.22 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 0.00 147 D 8.35 4.47 0.00 2.79 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 0.00 148 V 8.30 4.32 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 0.93 0.00 0.00 149 E 8.13 4.29 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.94 0.00 150 R 8.07 4.45 0.00 1.93 1.87 0.00 3.18 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 151 L 7.88 4.84 0.00 1.61 1.54 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.98 4.36 0.00 1.83 1.73 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 153 K 8.28 4.45 0.00 1.77 1.67 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.01 7.81 154 G 8.28 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 0.00 0.00 0.00 155 E 8.59 4.26 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.83 0.00 156 A 9.46 3.89 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 *157 H 8.02 4.48 0.00 2.88 2.76 0.00 7.24 0.00 0.00 0.00 0.00 6.91 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.