NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8299 8.2833 118.1797 52.1506 38.8703 174.6707 2 L 4.1186 8.4418 117.9094 57.2989 41.3246 179.0569 3 F 4.3582 9.1208 121.7625 61.4502 39.8643 176.7995 4 Q 3.8890 8.1082 117.3268 58.6725 28.5324 178.2399 5 F 4.3993 8.2705 121.6243 61.3307 39.3889 177.0506 6 A 3.7175 8.2369 120.6064 55.0732 18.1329 179.8123 7 K 3.8294 7.8961 116.9360 59.5269 32.0897 179.5630 8 M 4.2948 8.0481 119.0801 58.4833 31.8447 178.7564 9 I 3.6160 7.5426 119.7117 64.6521 37.3375 178.3821 10 N 4.6187 8.5054 117.7220 56.2456 38.0793 177.7947 11 G 3.4606 8.4191 106.7922 47.0222 0.0000 175.3534 12 K 4.3418 7.8568 119.5089 57.7887 32.6378 178.0604 13 L 4.7168 8.1264 116.7369 52.5376 43.6936 176.2969 14 G 3.8737 7.7419 106.2292 44.1832 0.0000 172.7817 *16 A 4.0024 8.1401 121.3952 52.9744 19.6377 177.4039 17 F 4.2487 8.3469 118.5243 58.3164 37.3295 177.1651 18 S 4.2370 8.1092 118.5507 61.6248 62.4130 176.6010 19 V 3.7648 8.4413 122.1321 64.9769 30.6465 178.4951 20 W 4.2030 8.3103 118.9314 59.3017 28.6334 177.8501 21 N 4.3524 8.4527 115.8250 54.9631 37.8646 175.1953 22 Y 4.2512 7.5583 116.3173 57.4852 38.5204 176.0981 23 I 4.0295 7.2987 122.5434 60.9865 36.4698 173.1205 24 S 3.4726 8.8376 121.5564 58.0378 60.5839 166.5357 25 Y 4.5796 7.0341 122.4114 56.1296 42.4242 175.8477 26 G 3.6867 7.8905 116.3135 46.0909 0.0000 172.4024 27 C 4.2988 9.0138 115.1007 58.1097 40.7414 174.7000 28 Y 4.3000 8.4724 115.1623 57.9825 39.9242 175.7119 29 C 4.5193 8.1130 117.4431 57.5921 38.3540 172.0798 30 G 3.7475 9.1106 109.8964 42.8657 0.0000 170.8582 31 W 4.1900 8.1023 115.5356 55.2738 29.3863 177.4600 32 G 3.9655 8.8771 112.4157 44.5992 0.0000 172.4180 33 G 4.7797 7.8746 116.0368 45.2893 0.0000 171.8393 34 Q 4.4106 7.5398 121.7482 55.9527 31.3072 174.2229 35 G 3.8145 8.4965 106.3906 44.5553 0.0000 172.5517 36 T 4.2778 8.1122 115.5104 61.7147 69.1369 173.7006 37 P 4.6840 0.0000 0.0000 62.9849 31.9043 176.6467 38 K 4.0066 8.6713 120.3763 58.2194 32.7716 175.9928 39 D 4.5348 7.4289 115.7380 51.7036 41.8603 175.4302 40 A 4.0307 8.7544 119.7713 56.0301 18.1657 179.7259 41 T 4.0851 8.1844 113.8033 67.1219 68.6052 176.0455 42 D 4.5612 9.2084 120.1479 57.3806 41.2466 178.0158 43 R 3.8957 8.2999 119.3295 59.9451 30.0051 177.9021 44 C 4.3886 8.5926 116.0120 60.0506 40.4227 175.5476 45 C 4.4309 8.2405 118.4687 59.7458 38.3208 175.6085 46 F 3.8515 8.3071 122.3373 61.3026 38.7931 177.3989 47 V 3.2292 7.9911 117.7737 66.0283 31.2992 177.2130 48 H 3.7554 8.4223 118.4265 59.3916 29.5275 176.6699 49 D 4.1152 7.9658 119.5521 57.3636 40.8870 177.5287 50 C 4.0582 7.6588 117.0740 60.0032 39.9225 175.1538 51 C 4.1080 8.4044 119.3295 60.0017 40.5318 174.9936 52 Y 4.3150 8.1509 118.4277 61.0411 37.2347 178.7080 53 G 3.7180 8.1565 105.6268 47.3358 0.0000 175.1897 54 R 4.1884 7.5143 118.6505 56.5351 30.7709 177.1868 55 V 3.7460 7.0185 119.2002 62.7623 32.2033 175.3230 56 R 4.5217 8.1004 124.0284 54.5961 33.9484 176.2701 *59 G 4.1182 8.3513 107.4583 45.7337 0.0000 173.2451 *61 C 4.7340 7.6023 116.0554 56.8070 39.7910 172.4618 *67 N 4.9223 8.5206 118.0060 52.7708 38.6450 172.9525 68 P 3.8093 0.0000 0.0000 65.5940 31.3267 177.8392 69 K 4.2612 7.9529 117.3876 57.6400 32.4333 178.4040 70 L 4.3805 7.7248 116.9065 55.4011 43.5124 177.1173 71 A 4.0152 8.4263 121.3437 52.4232 18.7371 176.5214 72 I 4.2906 8.2211 123.0422 59.6734 38.5394 174.8683 73 Y 4.7849 7.6195 123.0007 55.0086 40.8082 174.1578 74 A 5.0449 9.0423 121.6057 50.7760 21.2123 175.7737 75 Y 5.2497 8.0996 118.7624 56.8635 41.2787 172.7949 76 S 4.2874 8.8009 113.3695 58.0263 66.8839 173.7705 77 F 5.1586 8.8564 118.5645 55.6529 40.9913 176.0301 78 K 4.4058 9.2280 122.4032 55.1912 34.3017 176.7129 79 K 3.8236 9.8303 125.9582 57.4939 29.4673 176.7404 80 G 4.1011 8.4972 105.0274 45.5903 0.0000 173.2760 81 N 4.9617 8.0207 117.6517 51.3867 40.5787 174.0116 82 I 3.7901 7.8320 122.5238 60.8688 38.3136 175.4960 83 V 4.3338 8.7210 126.4578 61.1469 34.4201 173.6851 84 C 4.7045 8.8689 125.9170 56.7599 40.7837 174.9126 85 G 3.7022 8.8466 113.7233 45.9530 0.0000 174.4034 86 K 4.1758 8.6428 118.9287 55.7993 30.5740 175.9321 *88 N 5.2664 7.9452 119.2791 52.8056 39.9161 173.7991 89 N 5.0817 8.3030 118.0051 52.1782 42.7544 176.6351 90 G 3.6998 8.3606 108.7628 46.7936 0.0000 175.5309 91 C 4.2615 8.8012 116.6052 58.4943 40.9905 175.6938 92 L 3.8469 7.9162 120.9156 57.4379 41.1689 179.3811 93 R 3.8099 7.6845 118.1353 59.4296 29.9691 178.3079 94 D 4.2659 7.9194 118.2245 57.2799 40.8638 178.6623 95 I 3.5557 7.8863 120.5391 64.5404 37.1171 177.5739 96 C 2.9572 7.6535 119.1433 59.2588 42.9628 175.5369 97 E 3.7446 7.8735 120.0472 59.4157 29.0322 178.3982 98 C 4.0604 8.1781 116.7378 60.2618 39.5092 176.1107 99 D 3.7543 7.8230 120.0154 57.0993 40.3278 178.7336 100 R 3.7142 8.0575 119.5233 59.4921 30.1003 178.6592 101 V 3.4322 7.8870 117.9490 65.8316 31.4960 177.8377 102 A 3.5596 7.7692 120.2238 54.9153 18.1859 179.4961 103 A 3.5269 8.0765 119.5973 55.2993 18.4657 179.6437 104 N 4.2771 8.2241 115.2027 56.4624 38.5562 176.8749 105 C 4.3144 8.0165 119.9981 59.6481 43.4945 175.6288 106 F 4.4293 7.5933 118.4702 60.7951 38.8113 176.8893 107 H 4.3234 8.3117 117.9136 59.3850 29.5256 176.9272 108 Q 4.0721 8.4118 120.4297 58.6396 29.0170 177.4160 109 N 5.0338 8.1056 115.7996 52.9419 38.8937 176.7292 110 Q 4.1411 8.0187 122.1529 59.2892 28.6795 178.0942 111 N 4.5837 8.1923 114.2204 54.7553 38.8685 175.3768 112 T 4.4391 7.6517 106.9635 60.9746 69.8013 174.2323 113 Y 3.9268 7.3886 123.3216 58.3396 39.1241 174.8760 114 N 4.6669 8.7152 125.8828 51.3551 39.8108 175.0909 115 K 3.9675 8.5238 126.3794 59.1098 32.3246 178.6932 116 N 4.4629 7.7103 114.5065 55.0444 38.8426 175.0244 117 Y 4.5673 7.5748 115.9732 57.3769 38.2715 175.0613 118 K 4.1868 7.5534 122.8836 57.1160 32.9004 176.6851 119 F 4.1697 8.1573 124.5529 57.1653 36.9125 175.7458 120 L 4.0802 7.8164 120.7935 54.8563 43.0162 176.4518 121 S 4.3601 8.5168 119.9373 58.0225 63.8786 175.4917 122 S 4.0344 8.6713 117.7147 61.2123 62.8903 176.0858 *124 S 4.4013 7.8861 113.5682 57.8714 64.4131 174.3087 125 R 4.4414 7.8497 118.7169 56.2703 30.1731 175.6038 126 C 5.1436 8.0187 115.0448 56.7087 40.9127 174.8764 127 R 4.0896 7.8553 117.7634 56.7295 31.3384 177.3964 128 Q 4.1148 7.9593 117.1962 55.6702 29.2880 176.4067 129 T 3.9617 8.2324 109.0805 62.1404 69.2426 173.5213 130 S 4.8053 8.2486 118.4985 56.5596 65.0070 174.0059 131 E 4.1700 8.4693 125.9378 55.6248 30.1750 176.3127 132 Q 4.3419 8.4134 123.0001 55.9116 29.7178 176.7341 133 C 4.4896 8.7143 116.1148 57.5078 41.2307 173.6847 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 1 N 8.28 4.83 0.00 3.17 3.26 0.00 0.00 6.12 5.79 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 2 L 8.44 4.12 0.00 1.87 1.97 1.10 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.12 4.36 0.00 3.08 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 4 Q 8.11 3.89 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 5 F 8.27 4.40 0.00 3.30 3.30 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 6 A 8.24 3.72 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 7 K 7.90 3.83 0.00 1.89 1.91 0.00 1.60 0.00 0.00 1.28 0.00 0.00 2.43 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.12 0.86 7.81 8 M 8.05 4.29 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 9 I 7.54 3.62 1.81 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.37 0.86 0.00 0.00 10 N 8.51 4.62 0.00 2.65 2.76 0.00 0.00 7.00 7.16 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 11 G 8.42 3.46 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 0.00 12 K 7.86 4.34 0.00 1.98 1.91 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.85 1.67 7.81 13 L 8.13 4.72 0.00 1.71 1.71 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.74 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 *16 A 8.14 4.00 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 17 F 8.35 4.25 0.00 3.48 3.40 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 18 S 8.11 4.24 0.00 4.10 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 19 V 8.44 3.76 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 0.60 0.00 0.00 0.66 0.00 0.00 20 W 8.31 4.20 0.00 3.75 3.41 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 21 N 8.45 4.35 0.00 1.89 1.67 0.00 0.00 6.85 7.44 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 22 Y 7.56 4.25 0.00 2.80 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 23 I 7.30 4.03 2.12 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 1.49 0.00 0.00 24 S 8.84 3.47 0.00 4.42 4.11 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 25 Y 7.03 4.58 0.00 2.98 2.61 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 0.00 0.00 0.00 26 G 7.89 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 27 C 9.01 4.30 0.00 2.87 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 28 Y 8.47 4.30 0.00 3.25 3.07 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 0.00 29 C 8.11 4.52 0.00 3.32 3.34 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 30 G 9.11 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 0.00 0.00 0.00 31 W 8.10 4.19 0.00 3.52 3.31 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 32 G 8.88 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 33 G 7.87 4.78 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 34 Q 7.54 4.41 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.12 2.49 0.00 35 G 8.50 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 0.00 0.00 0.00 36 T 8.11 4.28 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 1.16 0.00 0.00 37 P 0.00 4.68 0.00 1.99 2.08 0.00 3.56 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 1.72 1.86 0.00 38 K 8.67 4.01 0.00 1.18 0.88 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.34 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.17 0.55 7.81 39 D 7.43 4.53 0.00 2.99 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 40 A 8.75 4.03 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 41 T 8.18 4.09 4.64 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 1.23 0.00 0.00 42 D 9.21 4.56 0.00 3.07 2.90 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 43 R 8.30 3.90 0.00 1.96 2.25 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 44 C 8.59 4.39 0.00 3.41 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 C 8.24 4.43 0.00 3.35 3.45 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 0.00 0.00 0.00 46 F 8.31 3.85 0.00 1.99 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 47 V 7.99 3.23 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 0.85 0.00 0.00 1.05 0.00 0.00 48 H 8.42 3.76 0.00 3.14 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.97 4.12 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.66 4.06 0.00 2.87 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 51 C 8.40 4.11 0.00 2.93 3.14 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 0.00 0.00 0.00 0.00 52 Y 8.15 4.32 0.00 3.03 2.90 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 53 G 8.16 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.51 4.19 0.00 1.85 1.96 0.00 3.13 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 55 V 7.02 3.75 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 0.70 0.00 0.00 0.90 0.00 0.00 56 R 8.10 4.52 0.00 1.79 1.74 0.00 3.36 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.52 0.00 *59 G 8.35 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 0.00 0.00 0.00 0.00 *61 C 7.60 4.73 0.00 2.98 3.03 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 *67 N 8.52 4.92 0.00 2.72 2.74 0.00 0.00 7.42 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 68 P 0.00 3.81 0.00 0.49 1.55 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 69 K 7.95 4.26 0.00 1.98 2.00 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.81 1.57 7.81 70 L 7.72 4.38 0.00 1.59 1.68 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.43 4.02 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 72 I 8.22 4.29 1.85 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 1.42 0.77 0.91 0.00 0.00 73 Y 7.62 4.78 0.00 3.22 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 74 A 9.04 5.04 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 75 Y 8.10 5.25 0.00 3.10 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 76 S 8.80 4.29 0.00 3.81 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 77 F 8.86 5.16 0.00 2.91 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 78 K 9.23 4.41 0.00 1.69 1.71 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.51 7.81 79 K 9.83 3.82 0.00 1.89 1.88 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.37 7.81 80 G 8.50 4.10 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 0.00 0.00 0.00 81 N 8.02 4.96 0.00 2.86 2.68 0.00 0.00 6.91 7.74 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 82 I 7.83 3.79 1.63 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 -0.09 0.68 0.00 0.00 83 V 8.72 4.33 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 0.96 0.00 0.00 0.89 0.00 0.00 84 C 8.87 4.70 0.00 2.82 2.91 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 85 G 8.85 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 0.00 0.00 0.00 86 K 8.64 4.18 0.00 1.80 1.74 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.46 7.81 *88 N 7.95 5.27 0.00 2.76 2.77 0.00 0.00 7.07 8.00 0.00 0.00 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 N 8.30 5.08 0.00 2.66 2.67 0.00 0.00 6.94 7.65 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 90 G 8.36 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 0.00 0.00 0.00 91 C 8.80 4.26 0.00 3.11 3.33 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 92 L 7.92 3.85 0.00 1.74 1.86 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.68 3.81 0.00 1.93 2.04 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 94 D 7.92 4.27 0.00 2.80 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 95 I 7.89 3.56 1.86 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 1.19 0.76 0.93 0.00 0.00 96 C 7.65 2.96 0.00 2.02 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 97 E 7.87 3.74 0.00 2.16 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 2.33 2.40 0.00 98 C 8.18 4.06 0.00 3.12 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 99 D 7.82 3.75 0.00 2.70 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 0.00 100 R 8.06 3.71 0.00 1.76 1.91 0.00 3.13 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 101 V 7.89 3.43 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 0.86 0.00 0.00 0.84 0.00 0.00 102 A 7.77 3.56 1.10 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 0.00 0.00 103 A 8.08 3.53 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 0.00 104 N 8.22 4.28 0.00 2.65 2.84 0.00 0.00 6.69 8.32 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 0.00 105 C 8.02 4.31 0.00 2.98 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 0.00 106 F 7.59 4.43 0.00 2.87 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 0.00 107 H 8.31 4.32 0.00 3.24 3.50 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.41 4.07 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.09 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 109 N 8.11 5.03 0.00 3.00 2.88 0.00 0.00 6.74 6.88 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 0.00 110 Q 8.02 4.14 0.00 2.26 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 111 N 8.19 4.58 0.00 2.77 2.94 0.00 0.00 6.79 7.54 0.00 0.00 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 T 7.65 4.44 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 1.26 0.00 0.00 113 Y 7.39 3.93 0.00 2.95 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 0.00 114 N 8.72 4.67 0.00 2.42 1.85 0.00 0.00 6.82 7.21 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 0.00 115 K 8.52 3.97 0.00 1.86 1.90 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.76 1.65 7.81 116 N 7.71 4.46 0.00 2.33 2.75 0.00 0.00 6.89 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 0.00 117 Y 7.57 4.57 0.00 2.04 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 0.00 0.00 0.00 0.00 118 K 7.55 4.19 0.00 1.69 1.66 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 0.21 7.81 119 F 8.16 4.17 0.00 3.32 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 0.00 120 L 7.82 4.08 0.00 1.63 1.47 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.52 4.36 0.00 4.05 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 0.00 122 S 8.67 4.03 0.00 4.03 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 *124 S 7.89 4.40 0.00 4.01 4.08 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 0.00 0.00 0.00 125 R 7.85 4.44 0.00 1.86 1.88 0.00 3.09 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 126 C 8.02 5.14 0.00 2.81 3.07 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 0.00 127 R 7.86 4.09 0.00 1.76 1.95 0.00 3.39 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 128 Q 7.96 4.11 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.02 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 129 T 8.23 3.96 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 1.21 0.00 0.00 130 S 8.25 4.81 0.00 3.95 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 0.00 131 E 8.47 4.17 0.00 1.72 1.48 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 2.18 2.38 0.00 132 Q 8.41 4.34 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 133 C 8.71 4.49 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.