NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4503 8.1476 120.3430 55.3230 33.5935 175.0063 2 N 5.1078 8.1534 119.8959 50.9135 40.5278 174.6167 3 I 3.4373 9.1425 120.4549 64.0066 38.3446 178.9699 4 S 4.0733 8.0869 115.7057 61.7546 62.7740 176.1004 5 D 4.3522 8.8140 121.8904 57.4886 40.4671 179.1704 6 V 3.4799 7.7284 118.4318 65.5939 31.3316 178.0050 7 A 4.0672 7.8771 122.0166 54.5637 18.0734 179.6290 8 K 3.8442 7.7115 115.4706 59.7726 32.2298 179.3792 9 I 3.8559 7.6470 118.8560 64.5165 37.1495 178.2119 10 T 4.1963 8.0775 109.2797 62.1847 69.0020 175.9886 11 G 3.8826 8.5734 109.0980 45.4556 0.0000 172.9763 12 L 4.6362 7.4655 119.2521 53.1574 43.6078 176.5281 13 T 4.2197 8.0216 111.6792 61.3610 71.1910 176.0194 14 S 4.1541 8.4938 117.6832 61.4666 62.8123 177.0380 15 K 3.8967 8.0568 120.6626 59.4602 31.7792 178.9465 16 A 3.7466 7.9741 120.7284 55.1476 18.3104 179.6406 17 I 3.8564 7.7222 118.3523 64.7779 37.1358 178.7427 18 R 4.0272 8.3141 119.5583 59.1202 29.8759 178.3265 19 F 4.0681 8.2297 120.6894 61.5655 39.4255 176.7715 20 Y 4.2142 8.0931 116.6409 60.8987 37.6103 178.2782 21 E 3.9683 8.1819 119.9611 59.3425 29.6082 178.4377 22 E 3.9123 8.1186 118.2281 59.0622 29.7539 178.2323 23 K 4.1293 7.7346 116.0507 56.0623 32.3056 177.4750 24 G 3.9074 7.7224 107.1369 46.4956 0.0000 174.8056 25 L 4.3167 7.9703 119.8288 55.2468 42.1665 177.2338 26 V 4.6583 7.3018 110.3192 59.0038 35.2640 175.3527 27 T 3.9855 9.5420 120.1417 62.8811 68.6633 173.1198 28 P 4.3728 0.0000 0.0000 62.3633 31.7199 174.1937 29 P 4.0899 0.0000 0.0000 62.8711 32.4868 175.3892 30 M 4.4205 8.2360 120.4888 54.7000 34.1431 175.2768 31 R 5.0769 8.1539 118.6844 54.4077 32.8736 176.7716 32 S 4.4769 9.0274 118.9647 57.3040 64.1674 174.9562 33 E 4.1662 8.6475 119.4832 58.9411 29.1028 177.8763 34 N 4.5647 7.8268 114.2916 52.8363 38.8229 176.0591 35 G 3.6589 8.5314 107.6701 45.0980 0.0000 173.1938 36 Y 4.7837 7.0481 117.0124 56.1693 40.3919 175.2791 37 R 4.5509 8.7815 121.4766 57.0318 30.9609 176.2238 38 T 4.9887 8.8233 113.1827 60.1892 72.2337 172.4267 39 Y 5.1228 9.2676 121.1436 56.5142 42.1345 174.5045 40 T 4.7636 8.6195 110.2392 59.2576 72.0833 174.5568 41 Q 4.0129 8.6725 120.8323 59.3446 28.7340 177.7288 42 Q 4.0379 7.8723 120.5973 59.7484 29.0294 178.3350 43 H 4.3092 8.1013 116.5230 58.7371 28.7451 177.5842 44 L 3.9823 7.9107 120.6879 57.8920 41.4093 179.3273 45 N 4.1864 8.4486 116.5578 56.3328 38.4423 177.3036 46 E 3.6996 8.0349 119.8123 59.4499 29.5653 179.5469 47 L 3.8638 8.0567 118.9885 57.8021 41.5552 179.7442 48 T 3.7477 8.0402 115.9861 66.4973 68.4474 176.2699 49 L 3.7584 7.7753 122.3658 58.0724 41.9852 178.7643 50 L 3.7325 7.8163 120.1626 58.0568 42.0854 178.9296 51 R 3.8946 8.1699 118.9871 59.6624 30.0653 178.5763 52 Q 4.0329 8.4846 118.0628 58.6749 28.6987 178.4518 53 A 4.1870 8.4799 122.3316 55.3621 18.3653 179.9115 54 R 4.5181 7.9877 117.9318 59.0026 29.8929 179.3306 55 Q 4.0406 7.8051 116.4702 59.0731 28.9174 178.8259 56 V 3.9027 7.6641 110.2947 61.5967 31.7533 176.5385 57 G 3.8816 7.4513 105.5960 45.2533 0.0000 174.5711 58 F 4.4594 8.4345 120.7381 57.0382 39.8078 175.7845 59 N 5.1183 9.4550 123.6261 52.1391 40.1187 175.6527 60 L 4.0807 8.4814 119.0358 58.4138 41.8427 178.9023 61 E 3.9548 8.3025 118.5378 59.5012 29.5429 178.6644 62 E 4.1682 9.2034 118.7680 59.6406 29.6360 179.4691 63 S 4.0933 8.3628 115.3361 61.5837 62.8786 177.0847 64 G 3.6221 8.4477 108.6768 47.7973 0.0000 175.6651 65 E 4.0425 8.0764 120.6833 59.1097 29.3759 179.3519 66 L 3.9315 7.7532 119.2819 57.6346 41.5725 179.6863 67 V 3.6228 7.6363 118.2746 65.8726 31.1949 177.9386 68 N 4.3421 7.8441 115.5504 56.3715 38.7955 177.0528 69 L 4.1129 8.3090 120.7909 57.6891 41.4242 179.3722 70 F 4.2071 8.2579 120.0216 61.2536 39.4941 176.3071 71 N 4.4465 7.9293 113.0567 52.9661 38.8712 174.4993 72 D 4.6005 7.4036 121.3890 51.9365 41.0323 175.0985 73 P 4.2899 0.0000 0.0000 64.9003 31.4908 177.3125 74 Q 4.6682 8.4452 117.2826 55.2381 29.1746 176.1397 75 R 4.0300 7.6821 114.2173 56.4923 30.2919 175.4417 76 H 4.9105 8.4944 117.1791 54.1523 30.1480 176.0521 77 S 4.1592 8.8409 120.4321 61.5560 62.5602 176.2667 78 A 3.9886 8.0777 123.7475 55.2202 18.0407 179.2081 79 D 4.3016 8.1142 117.4103 57.5162 40.8882 179.1662 80 V 3.6176 7.7255 118.3705 65.6744 31.5297 177.8477 81 K 3.9531 8.4187 119.8564 59.4341 32.0615 178.7295 82 R 3.9027 8.2014 119.0674 59.6681 30.0699 178.7103 83 R 4.0557 8.0936 117.7994 59.5492 30.0007 179.3072 84 T 4.1567 8.1562 115.6776 66.7639 68.6427 176.9585 85 L 4.0657 8.3807 121.2075 57.6253 41.5151 179.4733 86 E 3.9990 8.2761 118.9546 59.2040 29.3736 179.2018 87 K 3.8157 8.0618 119.7151 59.1849 32.0856 179.0057 88 V 3.4914 7.9369 118.4496 65.9778 31.4889 177.7067 89 A 3.9710 7.8465 120.1026 55.3404 18.1745 179.4648 90 E 3.8851 7.8923 116.4988 59.6802 29.5066 179.6559 91 I 3.7349 7.7960 119.8395 64.2987 37.0623 178.2978 92 E 3.9602 8.3692 119.5676 59.5679 29.3375 179.6384 93 R 3.9145 7.9385 117.9593 59.3582 30.0912 178.6117 94 H 4.1625 8.3264 117.9601 59.3518 29.8297 177.1906 95 I 3.6581 8.0889 121.9648 64.6261 36.9666 178.1894 96 E 3.9579 8.3385 119.2039 59.4920 29.3812 179.3123 97 E 3.9829 8.3223 118.5122 59.5133 29.4899 179.5039 98 L 4.0659 8.1430 118.9939 57.7833 41.6322 179.5534 99 Q 4.0353 8.4442 118.7150 58.9296 28.6459 178.9833 100 S 4.2458 8.1731 115.4002 61.5204 63.0678 176.5418 101 M 4.0357 7.8617 121.8811 58.1917 31.6834 178.6410 102 R 3.8885 8.3610 119.2460 59.4866 30.2592 178.1601 103 D 4.3422 8.5254 119.1307 57.4826 40.8352 178.6759 104 Q 3.9623 8.1353 119.8947 59.2147 29.0102 178.2800 105 L 4.0228 7.9685 120.0464 57.8257 41.5944 179.5449 106 L 4.0229 8.2623 118.8516 57.4136 41.4764 179.4257 107 A 3.9933 7.9774 121.0378 54.9944 18.1010 179.6823 108 L 3.8845 7.7395 116.1250 57.9581 42.0761 179.1888 109 A 4.1391 8.3019 121.0279 55.4029 18.0671 179.4073 110 N 4.3036 8.4013 114.0785 56.2356 38.7205 176.7403 111 A 4.2061 7.6939 118.8344 52.1300 19.0478 176.4586 112 C 4.7659 7.4845 118.3817 56.9741 34.3688 170.5737 113 P 4.9378 0.0000 0.0000 61.7586 29.9815 178.5130 114 G 4.0129 8.3128 95.0000 43.8756 0.0000 172.1048 *120 C 4.2033 7.2931 118.5942 58.8868 33.2107 171.3494 121 P 4.3205 0.0000 0.0000 65.3284 31.0480 178.8194 122 I 3.6824 7.6282 118.4722 64.6092 37.2507 178.3708 123 I 3.7702 7.6408 120.1026 64.1850 36.7972 177.9864 124 E 3.9308 7.8953 119.2640 59.4400 29.5531 178.3735 125 N 4.5253 7.8336 114.9663 56.1280 38.7530 177.2790 126 L 4.1489 7.8410 119.5122 56.6783 41.7484 177.8062 127 S 4.5106 7.8187 118.3012 58.4556 63.4140 173.7556 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 M 8.15 4.45 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 2 N 8.15 5.11 0.00 3.05 3.03 0.00 0.00 6.59 6.87 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 3 I 9.14 3.44 2.10 0.00 0.00 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 1.61 1.40 0.96 0.00 0.00 4 S 8.09 4.07 0.00 4.09 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 5 D 8.81 4.35 0.00 2.79 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 6 V 7.73 3.48 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 0.83 0.00 0.00 0.54 0.00 0.00 7 A 7.88 4.07 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 8 K 7.71 3.84 0.00 1.86 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 9 I 7.65 3.86 1.84 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 1.57 0.63 0.90 0.00 0.00 10 T 8.08 4.20 4.22 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 1.18 0.00 0.00 11 G 8.57 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 12 L 7.47 4.64 0.00 1.75 1.65 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.02 4.22 4.22 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 1.19 0.00 0.00 14 S 8.49 4.15 0.00 3.89 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 15 K 8.06 3.90 0.00 1.73 1.80 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.42 7.81 16 A 7.97 3.75 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 17 I 7.72 3.86 2.04 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.25 0.94 0.00 0.00 18 R 8.31 4.03 0.00 2.07 1.98 0.00 3.30 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 19 F 8.23 4.07 0.00 3.12 2.85 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 20 Y 8.09 4.21 0.00 3.25 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 21 E 8.18 3.97 0.00 2.13 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 2.32 2.34 0.00 22 E 8.12 3.91 0.00 2.03 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 0.00 2.29 2.31 0.00 23 K 7.73 4.13 0.00 1.70 1.68 0.00 1.64 0.00 0.00 1.33 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.66 0.48 7.81 24 G 7.72 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 25 L 7.97 4.32 0.00 1.73 1.72 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.30 4.66 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 0.75 0.00 0.00 1.06 0.00 0.00 27 T 9.54 3.99 4.27 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 0.00 0.00 0.00 1.23 0.00 0.00 28 P 0.00 4.37 0.00 2.16 2.07 0.00 3.79 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 2.00 1.97 0.00 29 P 0.00 4.09 0.00 1.34 1.25 0.00 3.78 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 1.82 2.04 0.00 30 M 8.24 4.42 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 31 R 8.15 5.08 0.00 1.60 1.74 0.00 3.14 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 32 S 9.03 4.48 0.00 4.00 4.05 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 33 E 8.65 4.17 0.00 1.96 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 2.32 2.40 0.00 34 N 7.83 4.56 0.00 2.86 2.96 0.00 0.00 7.13 7.32 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 35 G 8.53 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 0.00 0.00 0.00 36 Y 7.05 4.78 0.00 3.05 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 37 R 8.78 4.55 0.00 1.82 1.63 0.00 3.28 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 38 T 8.82 4.99 4.26 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 1.25 0.00 0.00 39 Y 9.27 5.12 0.00 2.77 2.92 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 40 T 8.62 4.76 4.30 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 1.29 0.00 0.00 41 Q 8.67 4.01 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 42 Q 7.87 4.04 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 43 H 8.10 4.31 0.00 3.59 3.61 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.91 3.98 0.00 1.90 1.72 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.45 4.19 0.00 2.91 2.62 0.00 0.00 7.08 8.06 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 46 E 8.03 3.70 0.00 2.19 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 2.47 2.64 0.00 47 L 8.06 3.86 0.00 1.70 1.69 0.91 0.67 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 48 T 8.04 3.75 4.30 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 1.17 0.00 0.00 49 L 7.78 3.76 0.00 1.40 1.61 0.75 0.54 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 50 L 7.82 3.73 0.00 1.73 1.30 0.72 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.17 3.89 0.00 1.95 2.02 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 52 Q 8.48 4.03 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 53 A 8.48 4.19 1.23 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 0.00 0.00 0.00 54 R 7.99 4.52 0.00 2.06 2.08 0.00 3.51 0.00 0.00 3.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 55 Q 7.81 4.04 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 56 V 7.66 3.90 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 0.84 0.00 0.00 1.24 0.00 0.00 57 G 7.45 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 58 F 8.43 4.46 0.00 3.36 2.99 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 0.00 0.00 0.00 0.00 59 N 9.45 5.12 0.00 3.03 3.05 0.00 0.00 6.77 6.36 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 60 L 8.48 4.08 0.00 1.83 1.89 1.22 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.30 3.95 0.00 2.07 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 2.41 2.44 0.00 62 E 9.20 4.17 0.00 2.22 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 0.00 2.44 2.68 0.00 63 S 8.36 4.09 0.00 4.08 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 64 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 65 E 8.08 4.04 0.00 2.19 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 0.00 2.33 2.63 0.00 66 L 7.75 3.93 0.00 1.68 1.52 -0.13 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.64 3.62 2.23 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 1.10 0.00 0.00 0.88 0.00 0.00 68 N 7.84 4.34 0.00 2.94 2.86 0.00 0.00 7.07 7.90 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 69 L 8.31 4.11 0.00 1.81 1.73 0.90 0.82 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 70 F 8.26 4.21 0.00 3.00 3.26 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 71 N 7.93 4.45 0.00 2.86 2.78 0.00 0.00 6.95 8.19 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 72 D 7.40 4.60 0.00 2.78 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 73 P 0.00 4.29 0.00 2.03 2.04 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 74 Q 8.45 4.67 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 75 R 7.68 4.03 0.00 1.94 2.17 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 76 H 8.49 4.91 0.00 3.41 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.84 4.16 0.00 4.05 4.15 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 0.00 0.00 0.00 0.00 78 A 8.08 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 79 D 8.11 4.30 0.00 2.89 2.74 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 0.00 0.00 0.00 0.00 80 V 7.73 3.62 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 1.03 0.00 0.00 0.94 0.00 0.00 81 K 8.42 3.95 0.00 1.87 1.96 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 82 R 8.20 3.90 0.00 2.03 2.07 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 83 R 8.09 4.06 0.00 2.13 2.11 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 84 T 8.16 4.16 4.46 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 1.31 0.00 0.00 85 L 8.38 4.07 0.00 1.69 1.73 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.28 4.00 0.00 2.26 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 2.35 2.45 0.00 87 K 8.06 3.82 0.00 1.49 1.74 0.00 1.10 0.00 0.00 1.29 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.07 7.81 88 V 7.94 3.49 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 0.98 0.00 0.00 89 A 7.85 3.97 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 90 E 7.89 3.89 0.00 2.17 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 2.30 2.46 0.00 91 I 7.80 3.73 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.87 0.00 0.00 92 E 8.37 3.96 0.00 2.18 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 0.00 2.51 2.49 0.00 93 R 7.94 3.91 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 94 H 8.33 4.16 0.00 3.28 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.09 3.66 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.64 0.89 0.00 0.00 96 E 8.34 3.96 0.00 2.18 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 2.33 2.52 0.00 97 E 8.32 3.98 0.00 2.26 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 0.00 2.33 2.61 0.00 98 L 8.14 4.07 0.00 1.84 1.70 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.44 4.04 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 100 S 8.17 4.25 0.00 4.06 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 0.00 101 M 7.86 4.04 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 102 R 8.36 3.89 0.00 1.87 2.13 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 103 D 8.53 4.34 0.00 2.89 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 0.00 104 Q 8.14 3.96 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 105 L 7.97 4.02 0.00 1.88 1.70 0.92 0.63 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 0.00 106 L 8.26 4.02 0.00 1.89 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.98 3.99 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 0.00 108 L 7.74 3.88 0.00 1.83 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.30 4.14 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 0.00 110 N 8.40 4.30 0.00 2.82 2.90 0.00 0.00 7.05 6.89 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 0.00 111 A 7.69 4.21 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 0.00 112 C 7.48 4.77 0.00 2.94 2.99 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 0.00 0.00 0.00 0.00 113 P 0.00 4.94 0.00 2.21 1.30 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 114 G 8.31 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 *120 C 7.29 4.20 0.00 3.03 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 0.00 121 P 0.00 4.32 0.00 2.19 2.08 0.00 3.65 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 2.30 2.17 0.00 122 I 7.63 3.68 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 1.64 1.13 0.91 0.00 0.00 123 I 7.64 3.77 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 1.52 0.94 0.91 0.00 0.00 124 E 7.90 3.93 0.00 2.13 1.98 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 2.32 2.35 0.00 125 N 7.83 4.53 0.00 2.85 2.86 0.00 0.00 7.11 8.20 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 0.00 126 L 7.84 4.15 0.00 1.70 1.73 0.92 0.76 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 0.00 127 S 7.82 4.51 0.00 4.04 3.83 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.