NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 P 4.4118 0.0000 0.0000 62.3028 32.8091 175.4041 42 R 4.4756 8.0711 119.1731 52.8475 32.9520 174.3069 43 K 3.8738 9.3312 124.2411 56.5406 33.5278 176.0356 44 L 4.2264 8.3832 126.7142 53.8369 41.3679 176.2077 45 V 4.1360 8.0824 124.4184 60.5405 32.3451 173.8998 46 P 4.6205 0.0000 0.0000 62.4900 31.9606 176.3508 47 L 4.4847 8.4759 123.1785 54.7886 42.3433 177.1344 48 A 4.4322 9.3745 124.8511 51.3114 20.0852 176.5150 49 Y 3.0248 8.2830 120.4549 59.0454 38.9503 177.0152 50 K 3.8394 8.0144 125.5002 56.1748 30.8937 176.1603 51 Q 4.2258 8.0274 121.6371 55.5924 30.5259 174.5890 52 F 5.4231 7.5896 118.9003 55.0598 41.8417 173.5107 53 S 4.6649 8.9003 115.3537 55.8355 65.3812 172.0877 54 P 4.8051 0.0000 0.0000 62.6426 32.4771 175.9469 55 N 4.9201 8.3252 117.1798 52.0121 37.6368 173.7456 56 V 4.8124 7.5992 111.2037 58.9288 36.8140 174.0072 57 P 3.9457 0.0000 0.0000 62.4856 31.9695 177.3306 58 E 2.0000 7.4906 122.3116 58.6323 29.2102 178.4869 59 K 4.8459 7.5313 113.8821 56.2905 32.4381 177.0409 60 T 4.2179 7.4699 110.6554 60.7768 69.6291 175.8886 61 L 3.9303 8.4350 122.8139 57.8217 41.7629 178.8528 62 G 3.8665 8.1118 105.0943 46.7541 0.0000 173.6449 63 A 4.9313 7.4627 119.9475 52.7823 18.6087 178.2596 64 S 4.4306 8.9832 118.6133 60.2775 63.2593 175.2237 65 G 4.1585 7.7708 110.6306 44.2805 0.0000 173.2030 66 R 4.2702 8.1433 116.9275 55.8192 30.6069 176.2123 67 Y 4.4071 8.4729 122.1719 58.0170 39.2504 175.3994 68 E 4.2625 9.2957 125.5686 55.7383 30.3979 176.9241 69 G 3.6825 5.7752 104.6659 44.3761 0.0000 173.7050 70 K 4.4964 8.3809 118.9807 56.7201 32.9435 176.5003 71 I 4.5702 8.8941 124.8603 59.8782 38.5151 175.3431 72 A 4.8284 8.6340 128.7981 50.3908 20.7952 177.7694 73 R 2.7306 8.9509 118.7801 59.1079 30.1334 178.3739 74 S 4.3290 7.7842 109.5804 59.3079 63.8875 174.7186 75 S 4.3371 8.0783 118.9489 58.3013 63.3998 174.9423 76 E 4.0162 8.7972 123.6855 59.5041 29.4540 179.3690 77 R 4.0492 7.9873 117.1803 58.3555 30.2993 178.2369 78 F 4.0813 7.9591 120.6095 60.5077 39.0715 176.1142 79 K 4.1569 7.7436 115.8795 57.0659 32.0241 177.5926 80 E 4.2344 7.8476 119.2140 55.6703 29.8955 175.1521 81 L 4.5316 6.5268 119.5581 53.8423 42.9484 176.3502 82 T 4.6605 8.7610 120.2337 60.7852 72.0561 171.6761 83 P 4.5725 0.0000 0.0000 62.6304 32.5338 174.9579 84 N 4.6355 8.1461 122.1223 52.1085 39.8080 173.9415 85 Y 4.5968 8.3527 123.4789 57.4783 38.8679 174.8293 86 N 4.2801 8.6688 119.8623 53.7147 38.8679 173.9105 87 P 4.5086 0.0000 0.0000 64.8657 31.6237 176.8496 88 D 4.8299 8.7778 117.6419 53.9400 40.8955 175.7932 89 I 4.6674 7.5590 120.2839 59.4549 39.9964 175.1715 90 I 4.2232 8.4991 127.9407 60.4943 38.7474 174.7762 91 F 5.0567 8.6658 125.2473 55.4111 40.1628 175.3028 92 K 3.6258 9.1276 126.9433 59.5423 32.3978 177.3719 *99 A 4.6256 8.2389 122.0574 52.1294 20.6369 178.0819 100 E 4.2995 8.1290 116.0562 58.8892 30.2211 178.9122 101 R 3.7915 7.8703 116.8044 57.4511 29.3410 175.6207 102 L 4.8904 7.7437 119.5155 54.2325 42.7805 175.9946 103 M 5.0653 8.4771 120.5123 54.0693 35.1700 174.2828 104 T 4.4578 8.5303 110.2939 60.9966 70.1493 175.4162 105 Q 3.8759 8.7369 122.4424 59.4410 29.0391 178.3034 106 R 3.8419 7.8990 119.1488 59.5776 30.1175 177.8467 107 C 4.1265 7.9065 118.4816 62.1155 31.4632 175.3564 108 K 3.9136 8.2793 121.6204 59.6576 31.8060 178.3744 109 D 4.3030 8.3576 119.3712 57.6004 40.8002 179.1563 110 R 3.5865 7.8003 118.3869 58.8745 29.7567 178.9602 111 L 4.1970 7.9273 120.1872 58.3868 42.2102 178.8356 112 N 4.3569 8.4593 116.7171 56.2488 38.2722 177.4211 113 S 4.1815 8.0604 114.8104 61.1923 62.4044 175.9601 114 L 3.9918 8.0362 122.9551 57.9385 41.2990 178.5259 115 A 4.0127 8.3127 121.0669 55.3786 18.2348 179.7701 116 I 3.6892 7.4096 116.5189 64.8068 37.1931 178.9002 117 S 4.1157 7.8291 116.0358 61.4447 62.5318 176.9969 118 V 3.6686 8.0968 121.1417 66.4694 30.9890 178.1349 119 M 4.4387 7.7395 118.6351 57.6530 31.4577 178.6893 120 N 4.3308 7.9199 116.2655 56.2772 38.8654 176.6654 121 Q 3.9295 7.8940 119.7589 57.5206 30.0850 176.9105 122 W 4.8990 8.0895 121.5976 53.0602 29.7499 171.4499 123 P 4.5612 0.0000 0.0000 63.5127 31.3117 177.0409 124 G 4.0004 9.2373 111.4858 44.9403 0.0000 173.1197 125 V 4.4123 8.0741 119.8225 60.9656 33.7167 174.3055 126 K 4.7306 8.5340 124.2810 53.9983 36.0766 175.3808 127 L 4.3810 8.3752 123.5628 55.3856 43.5814 175.5878 128 R 4.8351 8.7143 124.2663 54.5603 33.8235 173.6024 129 V 4.7266 8.6957 126.5843 61.5938 33.0717 175.7914 130 T 4.5281 8.5536 117.2558 61.7642 70.2790 174.0997 131 E 4.7530 7.8324 122.0141 54.7736 33.2719 172.5705 132 G 4.5037 8.9041 111.8836 45.9087 0.0000 175.8580 133 W 4.9136 8.0337 133.4004 57.3634 30.8780 173.0680 134 D 4.7686 9.2143 127.4225 52.7055 42.4100 176.1921 135 E 4.1729 8.3452 124.3508 56.5274 29.8917 176.0867 136 D 4.6683 8.7484 118.5297 53.1386 41.7996 175.8671 137 G 3.8631 7.8036 105.4273 47.1310 0.0000 174.1467 138 H 4.8302 9.4978 114.1023 55.7052 29.1431 175.4386 139 H 4.9811 8.1093 117.8830 54.4669 31.3969 172.9557 140 S 4.4667 8.4778 114.9371 58.4180 63.9158 174.6268 141 E 4.0568 8.7836 120.0578 59.3812 29.5847 178.2202 142 E 3.5946 7.0476 114.6781 54.3006 29.9171 175.5778 143 S 4.1666 6.9878 114.9027 57.3710 63.9033 174.6968 144 L 4.3353 8.3602 126.4385 57.2899 41.3979 179.1037 145 H 4.2654 8.0696 116.9686 59.0222 28.5122 176.8758 146 Y 5.1298 8.3622 119.4985 59.1245 37.4222 176.7584 147 E 4.9823 7.9911 116.4693 55.5604 30.3351 175.7115 148 G 3.9367 8.6798 105.9368 47.9472 0.0000 175.1499 149 R 4.9366 8.2199 115.2295 55.2017 32.2150 175.3159 150 A 5.1365 7.8288 119.9565 50.6736 22.9334 176.1947 151 V 4.8302 8.7797 113.1195 59.7743 36.3874 174.2753 152 D 5.3728 9.1104 124.6856 52.8783 42.7994 175.6645 153 I 5.0783 8.6485 116.2018 59.4309 41.6968 174.2508 154 T 4.4843 8.5228 113.3889 59.9684 72.8982 172.7498 155 T 4.6772 8.1324 110.9771 60.8550 70.0160 176.1939 156 S 4.1101 8.6720 118.2013 61.2672 62.9827 175.0607 157 D 4.5062 7.9822 117.6344 52.8121 39.6612 175.9539 158 R 4.1257 7.5456 117.2646 56.0825 28.3856 177.1619 159 D 4.3855 7.9441 117.9363 53.2123 41.0661 175.5223 160 R 2.0000 7.8397 126.7446 58.0189 29.8840 178.2231 161 N 4.3837 7.5069 115.5221 55.3826 38.6908 176.6601 162 K 4.2768 7.9335 119.7131 58.1595 32.3378 178.5889 163 Y 4.2407 7.7521 117.6320 60.7538 37.6937 178.3249 164 G 3.5494 8.0084 106.3362 47.7823 0.0000 175.3567 165 L 4.0775 7.9993 122.4097 57.6258 42.2703 178.4079 166 L 4.1944 8.5756 120.4793 58.2331 42.0076 178.8473 167 A 3.9140 8.1262 120.7735 55.0834 18.2782 179.5736 168 R 3.8320 7.8488 116.6854 59.6197 30.2526 178.5000 169 L 3.9720 8.1260 118.5524 57.7403 41.4223 179.4207 170 A 4.1973 8.0643 120.7535 55.1548 18.3134 179.8523 171 V 3.6292 7.8164 116.6964 66.3502 31.4290 178.2080 172 E 4.0382 8.2313 116.8547 59.0263 29.3694 178.4237 173 A 4.2736 7.9163 118.6530 52.6773 18.7278 178.0826 174 G 3.9123 7.8625 105.9220 44.6685 0.0000 174.1587 175 F 4.1911 7.5508 118.5340 57.9177 39.2797 175.4642 176 D 4.7411 8.9248 124.2344 56.4641 41.5902 176.4081 177 W 5.4713 8.5094 128.4663 55.9859 34.8595 173.6493 178 V 4.6512 8.4623 126.2908 61.2336 34.6322 173.3310 179 Y 4.9771 8.9597 128.8162 55.3783 41.4832 174.8880 180 Y 4.5041 8.5293 132.1656 57.2786 35.9147 175.7605 181 E 2.5400 7.6512 123.2155 58.1488 30.6615 176.4035 182 S 4.8755 7.6807 110.4764 56.3571 65.6634 174.6191 183 K 4.3158 8.6908 123.0530 58.6060 31.9813 178.2540 184 A 4.4091 8.4340 121.8070 54.2121 18.6402 176.6077 185 H 4.4115 7.5331 109.3074 55.1780 32.3331 173.3078 186 V 4.4505 7.9555 119.9159 61.6374 33.7561 173.8568 187 H 5.2784 9.2922 128.1929 55.1915 31.4509 173.3510 188 C 5.3171 8.7945 123.6978 57.8983 31.6982 173.3553 189 S 5.3071 9.2916 116.8606 57.0824 66.8217 172.9082 190 V 5.0907 8.4481 112.3950 59.3149 35.5896 175.8404 191 K 4.9039 9.4786 122.4731 56.1799 32.7295 177.7728 192 S 4.3772 8.3756 113.4489 58.6236 63.2162 174.0795 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 41 P 0.00 4.41 0.00 2.04 2.03 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 42 R 8.07 4.48 0.00 1.80 1.79 0.00 3.26 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 43 K 9.33 3.87 0.00 1.70 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 44 L 8.38 4.23 0.00 1.63 1.58 0.83 0.89 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 45 V 8.08 4.14 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 0.83 0.00 0.00 0.93 0.00 0.00 46 P 0.00 4.62 0.00 2.06 2.06 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 47 L 8.48 4.48 0.00 1.61 1.77 0.93 0.63 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 48 A 9.37 4.43 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 49 Y 8.28 3.02 0.00 2.38 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 K 8.01 3.84 0.00 1.62 1.88 0.00 1.64 0.00 0.00 1.13 0.00 0.00 2.53 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.97 7.81 51 Q 8.03 4.23 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 52 F 7.59 5.42 0.00 2.21 2.50 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 53 S 8.90 4.66 0.00 3.79 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 54 P 0.00 4.81 0.00 2.36 2.16 0.00 4.25 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 55 N 8.33 4.92 0.00 2.66 2.83 0.00 0.00 7.11 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 56 V 7.60 4.81 2.15 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 0.89 0.00 0.00 1.08 0.00 0.00 57 P 0.00 3.95 0.00 1.99 1.75 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 58 E 7.49 2.00 0.00 1.16 1.12 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 1.82 1.47 0.00 59 K 7.53 4.85 0.00 1.57 1.72 0.00 1.74 0.00 0.00 2.13 0.00 0.00 3.11 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 1.55 7.81 60 T 7.47 4.22 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 1.16 0.00 0.00 61 L 8.43 3.93 0.00 1.65 1.78 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.11 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 63 A 7.46 4.93 1.04 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 0.00 0.00 64 S 8.98 4.43 0.00 3.98 4.04 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 65 G 7.77 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 0.00 0.00 0.00 0.00 66 R 8.14 4.27 0.00 1.81 1.89 0.00 3.36 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 67 Y 8.47 4.41 0.00 2.81 2.88 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 68 E 9.30 4.26 0.00 1.94 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 2.18 2.31 0.00 69 G 5.78 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 70 K 8.38 4.50 0.00 1.72 1.85 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.53 1.61 7.81 71 I 8.89 4.57 2.08 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.99 0.00 0.00 72 A 8.63 4.83 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 73 R 8.95 2.73 0.00 1.65 1.66 0.00 3.21 0.00 0.00 2.89 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 74 S 7.78 4.33 0.00 3.96 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 75 S 8.08 4.34 0.00 4.19 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 76 E 8.80 4.02 0.00 2.05 1.96 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 2.38 2.41 0.00 77 R 7.99 4.05 0.00 1.91 1.94 0.00 3.17 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 78 F 7.96 4.08 0.00 3.25 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 79 K 7.74 4.16 0.00 1.86 1.78 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.66 7.81 80 E 7.85 4.23 0.00 2.04 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 2.21 2.26 0.00 81 L 6.53 4.53 0.00 0.80 1.06 -0.35 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.76 4.66 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 1.17 0.00 0.00 83 P 0.00 4.57 0.00 1.47 1.87 0.00 3.70 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 84 N 8.15 4.64 0.00 2.76 2.80 0.00 0.00 7.05 6.92 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 85 Y 8.35 4.60 0.00 3.02 2.89 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 86 N 8.67 4.28 0.00 3.12 2.91 0.00 0.00 7.24 7.29 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 87 P 0.00 4.51 0.00 2.13 2.15 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 88 D 8.78 4.83 0.00 2.80 2.71 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 0.00 0.00 0.00 0.00 89 I 7.56 4.67 1.83 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 1.18 0.64 0.22 0.00 0.00 90 I 8.50 4.22 1.79 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 1.20 0.93 0.91 0.00 0.00 91 F 8.67 5.06 0.00 2.94 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 92 K 9.13 3.63 0.00 1.82 2.10 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.44 7.81 *99 A 8.24 4.63 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 0.00 100 E 8.13 4.30 0.00 2.11 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 2.51 2.44 0.00 101 R 7.87 3.79 0.00 1.51 1.48 0.00 2.65 0.00 0.00 2.53 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 102 L 7.74 4.89 0.00 2.03 1.39 1.26 0.31 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 0.00 103 M 8.48 5.07 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 104 T 8.53 4.46 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 1.19 0.00 0.00 105 Q 8.74 3.88 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 106 R 7.90 3.84 0.00 1.88 1.89 0.00 3.22 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 107 C 7.91 4.13 0.00 3.04 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 0.00 108 K 8.28 3.91 0.00 1.95 1.99 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 109 D 8.36 4.30 0.00 2.76 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 0.00 110 R 7.80 3.59 0.00 0.67 0.66 0.00 3.24 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.31 0.00 111 L 7.93 4.20 0.00 2.13 1.88 1.10 0.67 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 0.00 112 N 8.46 4.36 0.00 2.76 2.86 0.00 0.00 6.70 8.43 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 0.00 113 S 8.06 4.18 0.00 3.85 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 0.00 114 L 8.04 3.99 0.00 2.10 1.99 1.01 0.99 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 0.00 115 A 8.31 4.01 1.40 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 0.00 0.00 116 I 7.41 3.69 2.01 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 1.53 0.55 0.91 0.00 0.00 117 S 7.83 4.12 0.00 3.81 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 0.00 118 V 8.10 3.67 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 1.36 0.00 0.00 1.09 0.00 0.00 119 M 7.74 4.44 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.69 0.00 120 N 7.92 4.33 0.00 2.84 2.81 0.00 0.00 6.94 7.82 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 0.00 121 Q 7.89 3.93 0.00 1.52 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.05 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 122 W 8.09 4.90 0.00 3.46 2.89 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 0.00 123 P 0.00 4.56 0.00 2.08 2.06 0.00 3.79 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 124 G 9.24 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 0.00 125 V 8.07 4.41 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 0.90 0.00 0.00 0.92 0.00 0.00 126 K 8.53 4.73 0.00 1.69 1.76 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.36 7.81 127 L 8.38 4.38 0.00 1.79 1.50 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.71 4.84 0.00 1.79 1.74 0.00 3.08 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 129 V 8.70 4.73 1.75 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 1.19 0.00 0.00 0.65 0.00 0.00 130 T 8.55 4.53 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 1.18 0.00 0.00 131 E 7.83 4.75 0.00 2.08 1.88 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 2.12 2.37 0.00 132 G 8.90 4.50 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 0.00 133 W 8.03 4.91 0.00 3.46 3.48 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 0.00 134 D 9.21 4.77 0.00 3.17 2.80 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 0.00 135 E 8.35 4.17 0.00 1.62 1.61 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 0.00 1.47 1.47 0.00 136 D 8.75 4.67 0.00 2.31 2.35 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 0.00 137 G 7.80 3.86 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 0.00 0.00 0.00 138 H 9.50 4.83 0.00 3.11 3.19 0.00 5.62 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.11 4.98 0.00 2.89 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.48 4.47 0.00 3.96 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 0.00 141 E 8.78 4.06 0.00 1.92 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 2.33 2.31 0.00 142 E 7.05 3.59 0.00 1.51 1.12 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 1.84 1.98 0.00 143 S 6.99 4.17 0.00 3.43 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 0.00 144 L 8.36 4.34 0.00 1.75 1.75 0.96 1.30 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 0.00 145 H 8.07 4.27 0.00 2.90 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.36 5.13 0.00 3.42 3.12 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 0.00 147 E 7.99 4.98 0.00 2.06 2.20 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 2.33 2.46 0.00 148 G 8.68 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 0.00 0.00 0.00 149 R 8.22 4.94 0.00 1.81 2.09 0.00 3.36 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 150 A 7.83 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.78 4.83 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 0.86 0.00 0.00 0.83 0.00 0.00 152 D 9.11 5.37 0.00 2.46 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 0.00 0.00 0.00 0.00 153 I 8.65 5.08 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.77 0.00 0.00 154 T 8.52 4.48 3.95 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 1.01 0.00 0.00 155 T 8.13 4.68 4.07 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 0.00 0.00 0.00 0.70 0.00 0.00 156 S 8.67 4.11 0.00 3.98 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 0.00 157 D 7.98 4.51 0.00 2.74 2.75 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 0.00 158 R 7.55 4.13 0.00 1.96 2.05 0.00 3.13 0.00 0.00 3.01 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 159 D 7.94 4.39 0.00 2.73 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 0.00 0.00 0.00 0.00 160 R 7.84 2.00 0.00 1.55 1.54 0.00 3.14 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 161 N 7.51 4.38 0.00 2.69 2.83 0.00 0.00 7.01 7.46 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 0.00 162 K 7.93 4.28 0.00 1.58 1.05 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.21 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.06 1.29 7.81 163 Y 7.75 4.24 0.00 2.81 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 0.00 164 G 8.01 3.55 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 0.00 0.00 0.00 165 L 8.00 4.08 0.00 1.93 2.23 0.88 0.51 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 0.00 166 L 8.58 4.19 0.00 1.99 1.87 1.03 0.96 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 0.00 167 A 8.13 3.91 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 0.00 168 R 7.85 3.83 0.00 2.07 2.12 0.00 3.36 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 169 L 8.13 3.97 0.00 1.96 1.72 0.72 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.06 4.20 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 0.00 171 V 7.82 3.63 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 1.06 0.00 0.00 0.99 0.00 0.00 172 E 8.23 4.04 0.00 2.13 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 2.61 2.46 0.00 173 A 7.92 4.27 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 0.00 174 G 7.86 3.91 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 0.00 175 F 7.55 4.19 0.00 3.20 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 0.00 176 D 8.92 4.74 0.00 2.71 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 0.00 177 W 8.51 5.47 0.00 3.41 3.10 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 0.00 178 V 8.46 4.65 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 0.81 0.00 0.00 0.97 0.00 0.00 179 Y 8.96 4.98 0.00 1.56 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 8.53 4.50 0.00 3.01 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 0.00 181 E 7.65 2.54 0.00 1.16 1.69 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 2.14 2.09 0.00 182 S 7.68 4.88 0.00 3.84 3.38 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 0.00 183 K 8.69 4.32 0.00 1.72 1.78 0.00 1.53 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.90 1.02 7.81 184 A 8.43 4.41 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 0.00 185 H 7.53 4.41 0.00 3.10 3.32 0.00 5.24 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 V 7.96 4.45 1.88 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 0.93 0.00 0.00 0.61 0.00 0.00 187 H 9.29 5.28 0.00 3.59 3.40 0.00 5.77 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 C 8.79 5.32 0.00 1.80 1.36 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 0.00 189 S 9.29 5.31 0.00 4.03 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 0.00 190 V 8.45 5.09 2.22 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 0.84 0.00 0.00 0.99 0.00 0.00 191 K 9.48 4.90 0.00 1.74 1.78 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.19 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.71 1.68 7.81 192 S 8.38 4.38 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.