NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3619 8.3149 119.9941 56.9494 35.7176 176.9655 5 T 4.1001 7.6808 125.0777 62.4839 67.7809 175.1766 *7 K 4.0888 9.4509 125.9794 57.4845 35.1808 177.5398 8 E 4.0177 8.0496 117.8610 59.4123 29.2946 179.3501 9 K 4.0260 8.2813 118.4200 59.2516 32.0024 179.3584 10 A 4.1964 7.9103 120.7179 55.0766 18.4503 179.5753 11 V 3.5848 8.3372 117.1904 66.4419 31.4395 178.0162 12 E 4.3950 7.9510 118.0696 58.7739 29.6571 178.9919 13 L 4.2022 8.2386 120.4852 58.0624 42.2134 178.7012 14 L 3.4191 8.2730 120.5128 58.1427 41.8077 178.9577 15 Q 3.9965 8.2729 117.8357 58.4643 28.3967 178.2176 16 K 4.3615 7.6931 116.8037 56.0417 32.6182 176.1992 17 C 4.6499 7.4946 118.0965 58.2571 29.3859 173.5946 18 E 4.3513 8.7006 123.6052 57.1243 30.0312 176.0898 19 V 4.8809 7.5727 110.6202 59.5394 34.7756 175.0430 20 V 4.7729 8.2381 114.9168 60.1395 36.8676 174.1186 21 T 4.9562 8.9638 118.3472 61.8765 71.1002 173.2727 22 L 5.0713 9.0853 128.9569 53.1740 44.7861 174.7588 23 A 5.8922 9.7355 127.6079 49.2972 22.3081 175.3114 24 S 5.1478 8.5988 115.7080 56.4706 66.9259 172.5453 25 V 4.8958 8.0513 119.3985 61.0191 33.3304 175.2303 26 N 5.0422 8.9063 125.3884 51.1255 38.5172 176.0899 27 K 4.0155 8.4005 116.8907 59.1652 32.1042 178.3482 28 E 4.1267 8.2706 116.5659 57.2726 29.6502 177.5932 29 G 3.8749 8.4428 107.7203 45.0679 0.0000 172.9189 30 Y 4.5032 8.3378 118.5335 56.3892 39.3646 173.3196 31 P 4.8314 0.0000 0.0000 62.9608 32.9124 176.5436 32 R 4.6702 9.2509 122.0880 53.5417 31.2058 171.7410 33 P 5.0377 0.0000 0.0000 62.4428 32.7031 176.2534 34 V 4.6162 9.1287 123.0998 60.3632 35.2596 172.9023 35 P 5.0977 0.0000 0.0000 62.1222 32.5583 175.2927 *37 S 4.2302 8.3076 113.4410 57.9266 63.0475 172.7239 38 K 4.3619 8.8610 129.5240 55.6845 32.0766 176.5657 39 I 4.0913 9.0067 128.4847 64.0901 37.6276 176.1937 40 A 4.9041 7.7953 119.2022 51.0157 22.5205 174.6551 41 A 5.1619 8.5295 119.9202 50.5930 22.8707 175.9923 42 E 4.3787 9.5509 121.6105 54.1009 31.1766 176.7609 43 G 3.7691 8.8857 117.5014 47.1533 0.0000 173.0376 44 I 4.4873 8.5073 117.9898 60.4954 38.0656 176.3234 45 S 4.3690 8.3022 118.5696 60.8261 62.7558 174.0040 46 T 5.1200 7.6922 109.4190 59.9503 71.9454 173.0304 47 I 5.1617 8.8000 125.2893 59.3993 41.2827 174.5428 48 W 5.5368 9.7407 126.0135 54.1450 32.3393 175.1057 *50 S 4.8029 8.3770 115.5492 59.2915 64.0352 172.2480 51 T 4.6353 8.4881 114.5627 61.0856 71.6528 172.4912 52 G 4.2392 8.8300 110.9471 45.8504 0.0000 174.9560 53 A 4.1275 8.8840 127.6360 54.5308 18.5537 178.1912 54 D 4.8366 7.9874 113.0869 53.2011 40.0285 177.3020 55 S 4.4065 7.9633 115.9319 58.4187 64.9300 174.9526 56 L 3.9619 8.4229 122.7149 57.8399 41.3289 179.6720 57 K 3.6088 8.0732 117.8934 59.9076 32.0411 179.0415 58 T 4.0152 7.8280 115.1835 66.9388 67.6479 176.7477 59 I 3.7252 7.6921 121.4766 64.3489 36.9514 178.0376 60 D 4.3033 8.1771 119.9232 57.7229 40.4905 179.2199 61 F 5.1240 7.7847 117.5134 59.8293 38.9366 177.5599 62 L 4.2040 8.0328 118.5407 56.9571 41.4128 177.9963 63 S 4.5073 7.5105 112.3811 58.5034 64.6015 173.5588 64 N 4.8356 8.4606 119.2955 50.9688 40.2760 172.4937 65 P 4.6394 0.0000 0.0000 64.6689 32.6421 176.5861 66 K 4.6995 8.2159 120.6715 56.7734 32.4272 176.2813 67 A 5.1839 8.8664 124.7974 50.9698 22.7801 175.5650 68 G 4.4480 9.1158 105.6695 44.7618 0.0000 171.5851 69 L 5.1956 8.9597 123.1449 53.5911 45.8039 174.4139 70 C 5.5058 9.2040 120.5854 56.6944 33.7098 172.5002 71 F 5.4126 8.3679 113.3942 56.3384 41.1557 173.1565 72 Q 5.0582 8.5988 115.7301 55.7336 31.0601 173.3322 73 E 4.5469 9.1462 119.3895 56.3174 33.2308 175.3187 74 K 3.9927 9.7748 125.6413 57.6717 29.5655 176.2075 75 G 3.9751 8.2290 104.3214 45.5981 0.0000 172.8361 76 D 5.2691 7.9481 120.1629 53.1078 43.2028 175.8414 77 S 5.1694 9.2554 117.3567 57.2473 68.1774 173.1632 78 V 5.0379 8.2956 120.5609 61.2527 35.2805 173.8175 79 A 5.0652 9.1630 128.2788 50.5941 21.9169 175.0940 80 L 5.1730 8.6391 125.5478 52.6872 45.3054 174.8151 *82 G 3.6604 8.2827 105.6153 47.0293 0.0000 171.6169 83 E 5.2262 8.0030 120.0303 54.4903 33.9194 175.1009 84 V 4.4383 8.3043 123.2865 61.2555 33.1994 174.4578 85 E 4.4957 8.7596 129.1992 54.4275 31.6918 174.6481 86 V 4.3740 8.3621 127.2726 62.3341 32.5027 174.9312 87 V 4.5073 9.2926 129.7797 61.4593 33.1959 175.9110 88 T 4.3653 8.5599 116.3779 60.6891 69.9729 174.1662 89 D 4.2661 8.1067 121.9038 55.2544 42.1305 176.4332 90 E 3.8731 8.8217 126.9777 59.4140 29.7077 178.9976 91 K 3.9968 8.0031 118.0377 59.2951 32.1334 179.2831 92 L 3.8673 8.8512 119.6381 57.6430 41.3301 179.4521 93 K 3.8621 7.8660 117.3754 59.5557 32.3772 178.8414 94 Q 4.1463 8.0574 119.4361 59.2664 28.8460 177.7565 95 E 3.9548 8.1264 118.9774 58.9952 29.7693 177.9042 96 L 4.3649 7.9376 115.8253 53.3376 42.4547 176.8015 97 W 4.1882 7.5501 129.6179 57.6450 31.3903 175.0472 98 Q 4.1054 5.7400 122.4186 53.0974 31.9179 176.1523 99 D 4.2948 8.3787 120.8487 57.3622 41.1051 179.2677 100 W 4.3355 8.0501 115.7328 58.7091 28.1301 177.7093 101 F 3.4245 6.6021 119.3151 60.3633 37.7472 177.0838 102 I 4.3671 7.2751 117.2261 63.9309 37.7317 177.1247 103 E 4.0031 7.8009 119.3356 59.3951 29.5215 177.8657 104 H 4.5103 7.4965 113.6844 55.8041 30.5678 175.2297 105 F 5.1660 8.0788 119.9232 54.6251 39.0185 173.6823 106 P 4.5348 0.0000 0.0000 64.9484 31.6255 178.1025 107 G 3.6358 8.5910 106.2518 46.1797 0.0000 174.5842 108 G 3.4525 8.3221 109.3981 43.6165 0.0000 172.1807 109 P 3.9880 0.0000 0.0000 64.9896 31.0317 176.9109 110 T 4.3214 7.3970 107.1980 60.9188 69.3332 173.8428 111 D 4.3621 8.2102 124.0324 54.4492 41.2904 175.2366 112 P 4.4420 0.0000 0.0000 64.3137 31.7689 177.0013 113 G 3.8522 8.8322 108.5616 46.2781 0.0000 172.0198 114 Y 4.0076 7.5970 122.0831 55.5852 40.0614 175.2291 115 V 4.2915 8.2538 118.7349 59.4847 36.5038 174.3749 116 L 5.0792 8.5828 122.1540 53.3773 44.0427 175.6024 117 L 4.9638 8.6055 121.9724 52.9318 44.4908 175.0685 118 K 3.8897 8.8841 126.5993 54.4706 33.8760 174.5144 119 F 4.8976 8.6409 131.1540 57.0311 41.3526 174.3690 120 T 4.7343 7.9484 123.2693 61.3796 70.4926 173.6963 121 A 4.3312 8.5672 129.6774 51.8032 18.9585 176.6839 122 N 4.9328 8.7636 115.9082 52.8463 39.8233 173.2751 123 H 5.1716 7.9741 118.2006 54.8352 33.9282 171.5779 124 A 4.7231 9.1176 124.2675 50.3721 22.8285 175.0669 125 T 4.3507 8.5265 117.8074 61.6985 71.9599 172.6229 126 Y 4.7976 8.2840 124.5308 55.9613 40.8834 175.2458 127 W 5.1023 9.6924 124.6464 54.5351 29.9216 172.7411 128 I 4.8735 8.4825 122.0741 59.5431 40.4563 175.5649 129 E 3.9480 10.1602 128.1051 57.5815 27.3446 175.9023 130 G 4.0350 8.4420 103.8816 45.6940 0.0000 173.0795 131 T 4.6011 7.8794 116.8705 61.4260 70.8423 172.5743 132 F 5.1807 8.7976 127.9607 56.5643 41.1638 174.6237 133 I 4.2520 7.6825 125.9080 59.5055 41.2197 173.9923 134 H 4.8793 8.4481 125.6119 54.1281 31.8953 172.3600 135 K 4.4457 9.0445 127.7744 53.9942 35.2882 175.4033 136 K 3.9464 8.5228 128.6994 56.4011 33.1535 176.4199 137 L 4.3516 8.3438 125.4159 54.8725 41.3815 176.4339 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 4 K 8.31 4.36 0.00 1.86 2.00 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.40 7.81 5 T 7.68 4.10 4.37 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 1.19 0.00 0.00 *7 K 9.45 4.09 0.00 1.80 1.81 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.62 7.81 8 E 8.05 4.02 0.00 2.22 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 2.40 2.38 0.00 9 K 8.28 4.03 0.00 1.74 1.86 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.60 7.81 10 A 7.91 4.20 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 3.58 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 1.06 0.00 0.00 1.05 0.00 0.00 12 E 7.95 4.39 0.00 2.27 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 2.37 2.21 0.00 13 L 8.24 4.20 0.00 2.03 2.17 1.08 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.27 3.42 0.00 1.66 1.44 0.78 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.27 4.00 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 16 K 7.69 4.36 0.00 1.90 1.98 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.66 7.81 17 C 7.49 4.65 0.00 3.00 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 18 E 8.70 4.35 0.00 1.97 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 2.34 2.24 0.00 19 V 7.57 4.88 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 0.73 0.00 0.00 0.95 0.00 0.00 20 V 8.24 4.77 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 0.93 0.00 0.00 0.93 0.00 0.00 21 T 8.96 4.96 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 1.27 0.00 0.00 22 L 9.09 5.07 0.00 1.70 1.57 1.22 0.69 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 23 A 9.74 5.89 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 24 S 8.60 5.15 0.00 3.08 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 25 V 8.05 4.90 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 0.91 0.00 0.00 0.97 0.00 0.00 26 N 8.91 5.04 0.00 2.98 3.06 0.00 0.00 6.86 7.92 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 27 K 8.40 4.02 0.00 1.78 1.93 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.47 7.81 28 E 8.27 4.13 0.00 2.24 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 2.41 2.37 0.00 29 G 8.44 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 30 Y 8.34 4.50 0.00 3.14 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 31 P 0.00 4.83 0.00 2.12 2.08 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 32 R 9.25 4.67 0.00 1.64 1.83 0.00 3.08 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 33 P 0.00 5.04 0.00 2.08 2.07 0.00 3.73 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 1.97 0.00 34 V 9.13 4.62 2.11 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 1.06 0.00 0.00 0.93 0.00 0.00 35 P 0.00 5.10 0.00 2.12 2.07 0.00 3.46 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 *37 S 8.31 4.23 0.00 4.02 4.13 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 38 K 8.86 4.36 0.00 1.75 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.42 7.81 39 I 9.01 4.09 2.26 0.00 0.00 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 1.62 0.92 1.09 0.00 0.00 40 A 7.80 4.90 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 41 A 8.53 5.16 1.20 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 42 E 9.55 4.38 0.00 1.95 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 2.32 2.40 0.00 43 G 8.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.51 4.49 2.08 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 1.18 0.00 0.00 45 S 8.30 4.37 0.00 3.93 4.06 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 46 T 7.69 5.12 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 1.18 0.00 0.00 47 I 8.80 5.16 1.94 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 1.23 0.83 0.93 0.00 0.00 48 W 9.74 5.54 0.00 3.43 3.19 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 0.00 *50 S 8.38 4.80 0.00 4.05 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 51 T 8.49 4.64 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 1.33 0.00 0.00 52 G 8.83 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 0.00 0.00 0.00 0.00 53 A 8.88 4.13 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 54 D 7.99 4.84 0.00 2.82 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 55 S 7.96 4.41 0.00 4.12 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 56 L 8.42 3.96 0.00 1.68 1.72 0.90 1.04 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 57 K 8.07 3.61 0.00 1.88 1.97 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.59 7.81 58 T 7.83 4.02 4.42 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 1.34 0.00 0.00 59 I 7.69 3.73 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.86 0.91 0.00 0.00 60 D 8.18 4.30 0.00 2.36 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 61 F 7.78 5.12 0.00 3.06 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 62 L 8.03 4.20 0.00 1.82 1.77 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.51 4.51 0.00 4.17 3.99 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 64 N 8.46 4.84 0.00 2.71 2.73 0.00 0.00 6.82 7.23 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 65 P 0.00 4.64 0.00 2.13 2.29 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 66 K 8.22 4.70 0.00 1.88 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 67 A 8.87 5.18 1.52 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 0.00 0.00 68 G 9.12 4.45 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 0.00 0.00 0.00 69 L 8.96 5.20 0.00 0.76 0.77 0.28 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 C 9.20 5.51 0.00 3.05 2.96 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 71 F 8.37 5.41 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 72 Q 8.60 5.06 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.67 0.00 0.00 0.00 0.00 0.00 2.20 2.41 0.00 73 E 9.15 4.55 0.00 2.10 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 2.26 2.36 0.00 74 K 9.77 3.99 0.00 1.94 1.85 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.43 7.81 75 G 8.23 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 76 D 7.95 5.27 0.00 2.84 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 77 S 9.26 5.17 0.00 3.65 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 5.04 0.67 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 0.82 0.00 0.00 1.01 0.00 0.00 79 A 9.16 5.07 1.45 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 0.00 0.00 80 L 8.64 5.17 0.00 1.79 1.91 1.24 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *82 G 8.28 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 83 E 8.00 5.23 0.00 1.74 1.63 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 2.14 2.33 0.00 84 V 8.30 4.44 0.67 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 0.15 0.00 0.00 0.56 0.00 0.00 85 E 8.76 4.50 0.00 1.92 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 86 V 8.36 4.37 2.11 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 0.82 0.00 0.00 1.03 0.00 0.00 87 V 9.29 4.51 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 1.17 0.00 0.00 1.05 0.00 0.00 88 T 8.56 4.37 4.18 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 1.17 0.00 0.00 89 D 8.11 4.27 0.00 2.73 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 90 E 8.82 3.87 0.00 2.03 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 2.34 2.36 0.00 91 K 8.00 4.00 0.00 1.93 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.51 7.81 92 L 8.85 3.87 0.00 1.60 1.58 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.87 3.86 0.00 1.83 1.95 0.00 1.39 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.68 1.34 7.81 94 Q 8.06 4.15 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 95 E 8.13 3.95 0.00 2.07 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 2.27 2.31 0.00 96 L 7.94 4.36 0.00 1.77 1.77 0.33 0.80 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 97 W 7.55 4.19 0.00 3.60 3.06 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 98 Q 5.74 4.11 0.00 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.11 0.00 99 D 8.38 4.29 0.00 2.72 2.76 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 0.00 0.00 0.00 100 W 8.05 4.34 0.00 3.67 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 0.00 101 F 6.60 3.42 0.00 1.51 1.78 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 0.00 102 I 7.28 4.37 2.17 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.75 1.04 0.00 0.00 103 E 7.80 4.00 0.00 2.11 1.67 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 2.21 2.32 0.00 104 H 7.50 4.51 0.00 1.69 2.48 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.08 5.17 0.00 3.31 3.16 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 0.00 106 P 0.00 4.53 0.00 2.11 2.17 0.00 3.94 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 2.09 2.13 0.00 107 G 8.59 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 0.00 108 G 8.32 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 0.00 0.00 0.00 109 P 0.00 3.99 0.00 1.92 1.56 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.00 110 T 7.40 4.32 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 1.12 0.00 0.00 111 D 8.21 4.36 0.00 3.00 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 0.00 112 P 0.00 4.44 0.00 2.22 2.15 0.00 3.84 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 2.00 1.97 0.00 113 G 8.83 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 0.00 0.00 0.00 114 Y 7.60 4.01 0.00 1.79 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 0.00 115 V 8.25 4.29 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 0.58 0.00 0.00 1.01 0.00 0.00 116 L 8.58 5.08 0.00 1.86 1.97 0.98 1.28 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 0.00 117 L 8.61 4.96 0.00 1.61 1.50 1.13 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.88 3.89 0.00 0.79 1.19 0.00 1.27 0.00 0.00 1.28 0.00 0.00 2.57 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.68 0.21 7.81 119 F 8.64 4.90 0.00 2.96 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 0.00 120 T 7.95 4.73 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 1.05 0.00 0.00 121 A 8.57 4.33 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 0.00 122 N 8.76 4.93 0.00 2.76 2.93 0.00 0.00 5.56 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 0.00 123 H 7.97 5.17 0.00 3.14 3.05 0.00 5.61 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 0.00 124 A 9.12 4.72 0.58 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 0.00 0.00 125 T 8.53 4.35 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 0.28 0.00 0.00 126 Y 8.28 4.80 0.00 2.68 2.68 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 0.00 127 W 9.69 5.10 0.00 3.39 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 0.00 128 I 8.48 4.87 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 1.01 0.00 0.00 129 E 10.16 3.95 0.00 2.10 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 2.29 2.27 0.00 130 G 8.44 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 0.00 0.00 0.00 131 T 7.88 4.60 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 1.20 0.00 0.00 132 F 8.80 5.18 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.68 4.25 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.43 0.92 0.00 0.00 134 H 8.45 4.88 0.00 2.55 3.03 0.00 5.87 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 9.04 4.45 0.00 1.80 1.54 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.32 7.81 136 K 8.52 3.95 0.00 1.68 1.59 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.57 7.81 137 L 8.34 4.35 0.00 1.52 1.54 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.