NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3846 0.0000 0.0000 67.3689 32.7220 176.4266 3 T 3.2961 7.1730 111.7398 60.4066 68.3667 171.9847 4 I 3.4127 8.0716 129.8427 64.0948 38.9718 176.2249 5 N 4.1419 8.4300 117.9890 57.4655 38.6462 176.6031 6 Q 4.0930 8.2364 118.8441 59.2081 28.6902 179.4484 7 L 3.9942 8.3233 120.3149 57.5956 41.4289 179.6671 8 V 3.5637 7.5444 116.7456 66.0348 31.6792 177.8104 9 R 4.0582 8.2239 116.8805 58.7295 29.9930 178.2379 10 K 4.3242 8.1595 115.9051 59.7714 33.7073 177.3471 11 G 3.8893 8.7375 105.2294 44.3392 0.0000 172.1732 12 R 4.4819 8.1155 118.1455 54.2193 33.4126 174.7340 13 E 4.1022 8.6744 123.4548 54.6099 28.9852 175.8311 14 K 4.0416 9.0034 128.4125 57.4967 32.8280 178.6256 15 V 2.7893 7.4868 114.0635 59.0413 33.1847 178.8929 16 R 4.2200 9.3510 125.9368 56.5645 30.7842 173.1695 17 K 4.4586 8.4415 124.2005 55.0643 34.4026 175.9875 18 K 4.1475 8.4792 121.9103 55.2394 32.4102 175.2565 19 S 3.9865 8.5614 120.8828 57.5368 61.5216 174.6448 20 K 3.8371 8.4605 128.9233 58.3419 32.0204 177.1978 21 V 4.0346 7.4026 117.3798 61.5989 32.4887 173.3987 22 P 4.5893 0.0000 0.0000 61.8815 29.4321 178.3112 23 A 4.3200 7.8630 114.3707 52.2821 18.6833 174.5441 24 L 3.0526 9.4567 125.1846 56.4811 42.4268 174.9202 25 K 3.8095 8.8856 124.9529 60.9651 30.3370 174.8676 26 G 3.8567 7.4506 99.5442 46.5571 0.0000 172.7250 27 A 4.6430 7.4189 124.1869 49.5744 20.6394 177.2771 28 P 4.0659 0.0000 0.0000 64.5016 32.0905 175.5302 29 F 5.1357 6.4062 116.0580 59.4772 43.2618 172.9004 30 R 4.6628 8.3453 119.0211 56.8101 32.6186 174.0917 31 R 4.9942 8.2950 126.9630 56.2417 32.0570 175.1365 32 G 4.2237 9.1681 111.7532 45.4347 0.0000 171.1887 33 V 5.0206 8.4188 118.6728 60.9856 34.9093 174.3894 34 C 5.5391 9.0534 125.5119 59.5522 28.3356 174.2802 35 T 3.9780 8.6946 114.3634 62.7703 70.0826 175.0937 36 V 4.4286 7.5175 120.7198 61.3759 35.3802 174.0130 37 V 4.8010 8.1200 124.7831 61.4234 31.4097 174.0371 38 R 4.8295 8.2460 124.9060 54.5283 33.4687 174.2760 39 T 5.6092 8.1901 106.5971 59.5574 71.9445 173.5311 40 V 4.5994 8.0346 114.3967 60.2016 36.5931 173.8219 41 T 4.6631 8.4123 117.6032 60.7966 68.2874 172.8052 42 P 4.7417 0.0000 0.0000 61.7634 33.8298 178.6328 43 K 4.6186 7.9922 126.3508 55.1592 30.9040 180.1729 44 K 4.0408 9.1673 120.2099 55.7863 31.8114 175.6276 45 P 4.0321 0.0000 0.0000 64.9782 31.5822 175.1572 46 N 4.9404 9.8423 116.4063 52.2415 40.3739 174.4018 47 S 4.4733 7.9426 113.4953 56.6712 65.4605 173.1228 48 A 4.2385 7.6075 126.8459 52.2239 22.3176 175.9623 49 L 4.8579 8.3624 114.4682 53.0818 41.8807 176.9360 50 R 4.3465 8.6614 123.0394 55.8459 32.4611 175.2551 51 K 4.9819 8.0671 118.5432 54.8681 34.8220 175.8178 52 V 4.9759 8.4021 122.0238 61.6016 35.8077 173.4635 53 A 4.9016 9.2319 125.1147 50.1105 23.0033 174.8741 54 K 4.8252 8.6025 121.8393 55.0964 34.3870 175.5907 55 V 4.9341 9.1177 126.1881 61.2779 35.6459 174.4346 56 R 4.8908 8.8801 127.7911 54.7551 30.3004 175.5964 57 L 4.7426 8.2480 126.4554 54.1204 42.6902 177.3304 58 T 4.1178 8.3835 109.3379 64.7277 69.3162 177.1676 59 S 4.4213 8.1936 114.4222 58.0736 62.3666 174.3481 60 G 4.0271 8.2945 107.2523 47.4198 0.0000 173.6342 61 Y 4.4158 7.4064 116.8241 56.6409 40.8480 174.5616 62 E 5.4991 8.4377 120.8571 55.7382 31.3099 174.2400 63 V 4.7438 8.2432 119.4856 59.6305 36.7714 174.3377 64 T 5.0601 8.5122 111.8356 60.4107 70.3123 173.8672 65 A 5.7387 9.4024 127.2381 49.4796 23.0139 174.1795 66 Y 4.6492 8.4711 119.9400 56.8853 40.9192 174.6319 67 I 4.6294 6.6305 126.2775 58.2332 36.5634 173.7077 68 P 4.4579 0.0000 0.0000 62.7722 32.0115 175.7476 69 G 3.6609 8.3759 105.0453 45.0259 0.0000 173.8550 70 E 4.3324 8.3381 119.2045 53.8989 28.3779 174.7246 71 G 4.2554 8.5017 109.6350 45.5645 0.0000 170.6175 72 H 5.0818 8.0842 117.1130 54.9104 30.2247 174.2544 73 N 4.6772 8.5526 113.0299 51.8447 36.9290 174.0483 74 L 4.5681 8.2044 119.1354 54.4670 43.1721 176.3993 75 Q 4.6317 8.2490 121.9082 53.3633 31.5328 174.8315 76 E 4.0506 8.2463 119.8989 58.0932 30.1031 175.7728 77 H 4.2015 9.8158 121.5611 57.2141 26.2695 174.9469 78 S 4.7398 7.8438 113.2287 56.1391 65.1835 173.1703 79 V 4.2793 8.4826 127.5907 63.2982 32.5622 174.9328 80 V 4.9567 9.2803 126.3677 61.4905 36.0104 172.9102 81 L 5.2087 8.3984 124.5003 53.3133 44.5889 175.1210 82 I 4.6157 9.2745 127.4317 60.5603 38.7241 176.2306 83 R 4.3579 9.1522 124.5182 55.2957 32.7316 171.8983 84 G 3.5351 9.3698 113.3667 45.5014 0.0000 173.0886 85 G 4.1155 8.0444 108.5610 44.6340 0.0000 172.2737 86 R 4.1733 8.8203 123.7305 56.3410 30.2488 177.1666 87 V 3.5716 7.7309 121.7059 62.0071 30.3419 178.0595 88 K 4.0824 7.9538 119.4238 55.2193 37.0494 177.3390 89 D 3.8142 8.4478 112.6418 57.4031 40.3847 178.0676 90 L 3.9592 9.2718 135.0000 55.8895 40.5902 176.0182 91 P 4.5282 0.0000 0.0000 63.4685 32.1637 175.8075 92 G 4.2671 8.9777 113.1884 46.1660 0.0000 174.5464 93 V 3.9492 7.3431 124.0372 62.9921 31.0890 175.5434 94 R 4.5137 8.7754 125.0568 55.7101 32.4951 174.4737 95 Y 5.1392 7.9460 116.7981 56.7545 41.9882 174.1270 96 H 5.2268 9.0769 120.5485 54.5823 31.5708 174.5618 97 I 4.6389 8.2780 122.0049 60.7600 39.0380 176.0949 98 V 4.1801 7.9414 124.1862 61.0007 32.4643 174.9310 99 R 4.0240 8.4046 127.7746 58.3445 29.9414 176.7600 100 G 3.6408 7.5850 111.8927 45.0036 0.0000 173.3186 101 V 4.2803 7.5108 120.5285 61.9874 34.8283 175.1014 102 Y 3.7304 8.2060 122.4513 59.9413 36.2063 172.0920 103 D 4.4362 9.0563 126.3838 56.4485 41.4028 176.0573 104 A 4.2774 8.0641 122.6015 51.2972 18.9525 177.7135 105 A 4.6116 8.3407 125.3564 52.5408 19.6651 176.3194 106 G 4.3197 8.3156 102.0983 43.1921 0.0000 173.8206 107 V 3.7486 7.9789 122.6383 62.7569 31.9894 176.3457 108 K 4.1853 8.6191 126.7199 57.1976 32.7117 176.5858 109 D 4.2926 8.8805 118.5050 54.9562 38.9600 174.2234 110 R 4.1863 7.6796 118.5400 56.6543 30.5936 176.2985 111 K 4.5718 8.2434 118.2129 56.8643 36.5919 177.7170 112 K 3.8382 8.2198 117.2342 58.5915 31.1852 179.3321 113 S 4.3989 8.3520 119.1816 58.8760 61.1892 174.2057 114 R 4.0073 7.7468 122.9977 58.7318 30.9061 178.9326 115 S 3.9149 8.2439 111.6111 61.4204 62.4249 174.9104 116 K 4.2699 7.7116 118.2169 57.2558 32.3858 177.0991 117 Y 3.2802 8.7886 115.3779 58.3721 35.2778 170.6608 118 G 3.8345 7.7975 101.7806 46.7914 0.0000 174.3233 119 T 4.5118 7.9282 125.4405 61.7999 71.4154 174.4450 120 K 3.7653 8.7114 126.3225 56.5247 32.5432 176.8551 121 K 4.0767 8.5419 124.5042 55.1132 32.1743 174.7448 122 P 4.2428 0.0000 0.0000 62.6652 31.4593 175.9979 123 K 3.8042 8.6232 121.9432 56.6963 31.8257 175.2779 124 E 3.6517 8.1928 121.1146 59.2907 30.0355 177.7431 125 A 4.3456 7.7498 122.6039 53.2537 21.8634 176.0787 *126 A 4.1172 7.9137 121.7187 52.5117 18.9464 176.1565 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 4.38 0.00 2.06 2.10 0.00 3.66 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 1.92 2.08 0.00 3 T 7.17 3.30 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 1.27 0.00 0.00 4 I 8.07 3.41 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 1.30 0.63 0.91 0.00 0.00 5 N 8.43 4.14 0.00 2.78 2.84 0.00 0.00 6.99 7.12 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 6 Q 8.24 4.09 0.00 2.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 7 L 8.32 3.99 0.00 1.89 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.54 3.56 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 0.87 0.00 0.00 0.96 0.00 0.00 9 R 8.22 4.06 0.00 1.78 1.98 0.00 3.19 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 10 K 8.16 4.32 0.00 1.90 1.84 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.47 7.81 11 G 8.74 3.89 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 0.00 0.00 0.00 12 R 8.12 4.48 0.00 1.75 1.80 0.00 3.37 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 13 E 8.67 4.10 0.00 1.92 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 2.26 2.23 0.00 14 K 9.00 4.04 0.00 1.75 1.76 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.41 7.81 15 V 7.49 2.79 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 0.71 0.00 0.00 0.93 0.00 0.00 16 R 9.35 4.22 0.00 1.83 2.21 0.00 3.22 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 17 K 8.44 4.46 0.00 1.88 1.77 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.43 7.81 18 K 8.48 4.15 0.00 1.74 1.81 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.48 7.81 19 S 8.56 3.99 0.00 3.84 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 20 K 8.46 3.84 0.00 1.70 1.77 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 21 V 7.40 4.03 1.94 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 0.56 0.00 0.00 0.62 0.00 0.00 22 P 0.00 4.59 0.00 2.33 2.04 0.00 3.83 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 23 A 7.86 4.32 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 24 L 9.46 3.05 0.00 1.67 1.40 -0.15 0.31 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 25 K 8.89 3.81 0.00 1.80 1.78 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.42 7.81 26 G 7.45 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 27 A 7.42 4.64 1.43 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 28 P 0.00 4.07 0.00 1.93 2.08 0.00 3.83 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 2.13 2.05 0.00 29 F 6.41 5.14 0.00 3.15 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 30 R 8.35 4.66 0.00 1.98 1.80 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 31 R 8.30 4.99 0.00 2.23 1.86 0.00 2.88 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 32 G 9.17 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 0.00 0.00 0.00 0.00 33 V 8.42 5.02 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 1.10 0.00 0.00 0.93 0.00 0.00 34 C 9.05 5.54 0.00 3.08 2.86 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 35 T 8.69 3.98 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 1.23 0.00 0.00 36 V 7.52 4.43 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 0.93 0.00 0.00 0.93 0.00 0.00 37 V 8.12 4.80 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 0.97 0.00 0.00 0.98 0.00 0.00 38 R 8.25 4.83 0.00 1.96 1.80 0.00 3.09 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 39 T 8.19 5.61 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 1.21 0.00 0.00 40 V 8.03 4.60 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 0.83 0.00 0.00 0.97 0.00 0.00 41 T 8.41 4.66 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 1.22 0.00 0.00 42 P 0.00 4.74 0.00 2.34 2.07 0.00 3.84 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 2.14 2.01 0.00 43 K 7.99 4.62 0.00 1.86 0.86 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.46 7.81 44 K 9.17 4.04 0.00 1.85 1.81 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.47 7.81 45 P 0.00 4.03 0.00 2.18 2.14 0.00 3.75 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 1.99 2.05 0.00 46 N 9.84 4.94 0.00 2.81 2.78 0.00 0.00 6.59 7.45 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 47 S 7.94 4.47 0.00 3.77 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 48 A 7.61 4.24 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 L 8.36 4.86 0.00 1.49 1.57 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.66 4.35 0.00 1.86 2.04 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 51 K 8.07 4.98 0.00 1.33 1.36 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.41 7.81 52 V 8.40 4.98 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 0.99 0.00 0.00 0.97 0.00 0.00 53 A 9.23 4.90 1.16 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 54 K 8.60 4.83 0.00 1.88 1.67 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.37 7.81 55 V 9.12 4.93 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 0.98 0.00 0.00 0.94 0.00 0.00 56 R 8.88 4.89 0.00 1.95 1.82 0.00 3.20 0.00 0.00 3.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 57 L 8.25 4.74 0.00 1.58 1.62 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.38 4.12 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 1.28 0.00 0.00 59 S 8.19 4.42 0.00 4.01 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 0.00 60 G 8.29 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 0.00 0.00 0.00 61 Y 7.41 4.42 0.00 2.97 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 62 E 8.44 5.50 0.00 1.89 1.79 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 2.18 2.24 0.00 63 V 8.24 4.74 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 0.76 0.00 0.00 0.55 0.00 0.00 64 T 8.51 5.06 4.28 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 1.24 0.00 0.00 65 A 9.40 5.74 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 66 Y 8.47 4.65 0.00 2.98 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 67 I 6.63 4.63 1.43 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.48 0.65 0.00 0.00 68 P 0.00 4.46 0.00 1.82 1.89 0.00 3.65 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.61 0.00 69 G 8.38 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 70 E 8.34 4.33 0.00 1.96 1.91 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 2.23 2.36 0.00 71 G 8.50 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 0.00 0.00 0.00 0.00 72 H 8.08 5.08 0.00 3.19 3.13 0.00 5.57 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.55 4.68 0.00 2.79 2.86 0.00 0.00 5.79 7.79 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 74 L 8.20 4.57 0.00 1.74 1.68 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.25 4.63 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 76 E 8.25 4.05 0.00 1.86 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 2.15 2.39 0.00 77 H 9.82 4.20 0.00 3.18 3.48 0.00 5.66 0.00 0.00 0.00 0.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.84 4.74 0.00 4.04 3.71 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 79 V 8.48 4.28 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 0.72 0.00 0.00 0.96 0.00 0.00 80 V 9.28 4.96 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 1.00 0.00 0.00 1.01 0.00 0.00 81 L 8.40 5.21 0.00 1.30 1.29 0.38 1.08 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 82 I 9.27 4.62 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.53 1.10 0.00 0.00 83 R 9.15 4.36 0.00 2.01 2.17 0.00 3.46 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 84 G 9.37 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.04 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 86 R 8.82 4.17 0.00 1.74 1.85 0.00 2.99 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 87 V 7.73 3.57 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 0.50 0.00 0.00 0.54 0.00 0.00 88 K 7.95 4.08 0.00 1.74 1.71 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.55 7.81 89 D 8.45 3.81 0.00 2.68 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 9.27 3.96 0.00 1.86 1.93 1.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.53 0.00 2.07 2.03 0.00 3.65 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 2.03 2.19 0.00 92 G 8.98 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 0.00 0.00 0.00 0.00 93 V 7.34 3.95 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 1.09 0.00 0.00 1.00 0.00 0.00 94 R 8.78 4.51 0.00 1.49 1.37 0.00 3.17 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 95 Y 7.95 5.14 0.00 2.89 2.83 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 96 H 9.08 5.23 0.00 3.20 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.28 4.64 2.05 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 1.16 0.55 0.92 0.00 0.00 98 V 7.94 4.18 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 0.87 0.00 0.00 0.94 0.00 0.00 99 R 8.40 4.02 0.00 1.80 1.87 0.00 3.27 0.00 0.00 3.57 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.41 0.00 100 G 7.58 3.64 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 0.00 0.00 0.00 101 V 7.51 4.28 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 0.18 0.00 0.00 0.69 0.00 0.00 102 Y 8.21 3.73 0.00 3.11 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.06 4.44 0.00 2.90 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 0.00 104 A 8.06 4.28 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 0.00 105 A 8.34 4.61 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 0.00 0.00 106 G 8.32 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 0.00 0.00 0.00 0.00 107 V 7.98 3.75 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 0.89 0.00 0.00 0.97 0.00 0.00 108 K 8.62 4.19 0.00 1.88 1.72 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.59 7.81 109 D 8.88 4.29 0.00 2.78 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 0.00 110 R 7.68 4.19 0.00 1.85 1.88 0.00 3.32 0.00 0.00 3.42 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 111 K 8.24 4.57 0.00 1.71 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.65 7.81 112 K 8.22 3.84 0.00 1.69 1.54 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 113 S 8.35 4.40 0.00 3.36 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 0.00 114 R 7.75 4.01 0.00 1.83 2.09 0.00 3.28 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 115 S 8.24 3.91 0.00 3.80 3.89 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 0.00 116 K 7.71 4.27 0.00 1.86 1.95 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.39 7.81 117 Y 8.79 3.28 0.00 3.12 3.09 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 0.00 118 G 7.80 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 0.00 0.00 0.00 119 T 7.93 4.51 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 1.26 0.00 0.00 120 K 8.71 3.77 0.00 1.74 1.77 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.40 7.81 121 K 8.54 4.08 0.00 1.71 1.74 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 122 P 0.00 4.24 0.00 2.21 2.07 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 123 K 8.62 3.80 0.00 1.71 1.78 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.61 7.81 124 E 8.19 3.65 0.00 1.99 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 2.32 2.29 0.00 125 A 7.75 4.35 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 *126 A 7.91 4.12 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 * Residues marked with a * may have inaccurate shift predictions.