NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *14 S 4.4807 8.3344 117.1034 57.7146 65.1363 173.8396 15 D 4.7342 7.6493 119.3760 51.4562 41.0372 171.3734 16 L 5.0887 7.5935 121.6383 52.7583 45.7130 176.5953 17 V 4.6931 8.7961 123.1144 59.9295 35.1923 174.2866 18 S 4.8700 9.0575 114.7393 56.6382 66.1257 172.0037 19 C 4.8984 9.0378 125.9044 57.6038 34.6011 172.6123 20 S 5.4555 8.5752 121.4081 57.0060 66.0260 172.5338 21 Y 5.2904 8.5365 120.6997 55.6762 42.4159 173.6216 22 R 4.8928 9.1666 119.2649 54.6805 33.4140 173.9050 23 S 5.2089 9.6618 120.8507 56.5097 66.5995 172.1816 24 L 5.1072 8.7622 122.9642 52.4943 43.7466 176.2862 25 A 4.7590 9.0081 126.8668 51.5782 19.2409 177.1068 26 A 4.2626 9.2305 123.9737 51.5883 19.1988 177.2762 27 P 4.3530 0.0000 0.0000 64.7176 31.7061 176.7685 28 D 4.8456 7.7987 117.7745 52.7173 39.6956 175.9364 29 L 4.1439 7.7502 122.4178 56.0718 42.6065 176.8998 30 T 4.7467 8.6211 116.0507 59.4091 72.6061 175.0527 31 L 3.8155 8.0351 122.6460 58.4175 41.9358 179.1143 32 R 3.8533 7.9656 117.8871 59.5490 29.9098 177.7210 33 D 4.3303 7.5818 117.5122 57.4179 41.0201 178.4663 34 L 3.9179 7.8839 120.4154 58.4675 42.0837 178.9258 35 L 4.0058 8.2014 118.9641 58.1047 41.5285 179.4250 36 D 4.3592 8.4831 119.0877 57.4321 40.7804 178.8465 37 I 3.6874 8.0364 120.7380 64.1658 36.9719 178.6950 38 V 3.6399 7.6880 118.7225 65.7938 31.5029 177.7706 39 E 3.9367 8.1205 119.0279 59.4426 29.3792 178.8846 40 T 3.8606 7.9262 115.8035 66.7021 68.4676 176.5884 41 S 4.1360 7.8283 116.4119 61.8691 62.9081 176.4671 42 Q 4.2120 8.7254 120.5423 59.1923 28.4815 179.0123 43 A 3.9616 8.0698 121.1694 55.6418 18.3810 179.2263 44 H 4.1804 8.4178 116.4277 59.6595 30.0816 177.1495 45 N 4.2111 8.9749 119.0329 56.1306 37.8048 177.1578 46 A 3.2587 7.8474 122.1209 55.2644 18.2606 180.0366 47 R 3.9145 7.3859 113.3473 58.6001 30.2113 178.1542 48 A 4.3535 7.7597 117.9412 51.0600 19.1428 176.9498 49 Q 3.5308 7.4085 113.9381 56.6536 27.0306 173.4477 50 L 4.5448 7.8934 118.5763 54.3304 42.3607 176.7033 51 T 4.8661 9.8589 113.6511 59.0709 71.6943 174.2633 52 G 4.3436 7.2641 107.1573 45.3504 0.0000 170.9371 53 A 4.8850 7.2877 119.4454 49.9353 22.9215 175.0470 54 L 5.1213 8.9996 123.1592 53.1336 45.2743 174.8039 55 F 5.5211 9.5679 128.6372 56.6337 41.9299 173.1237 56 Y 4.9037 8.6816 127.2385 55.8640 41.6987 174.9218 57 S 4.0553 7.4774 116.2560 59.2974 65.8767 175.1400 58 Q 3.3899 10.3656 126.8682 57.0545 26.6734 174.7114 59 G 3.8702 6.8146 105.4967 44.7046 0.0000 173.6581 60 V 4.5017 6.9779 120.2461 60.9174 34.0075 174.2538 61 F 5.6353 8.6284 125.8195 55.8598 41.7871 174.3207 62 F 5.3215 9.4222 122.0427 55.8346 42.1605 174.3791 63 Q 4.9773 8.3192 122.3954 54.1430 33.1223 173.1095 64 W 5.1165 9.0450 134.9870 55.5437 33.5589 174.0239 65 L 5.4688 8.6888 127.0983 52.8187 44.8667 175.3565 66 E 5.0866 10.5521 120.8601 53.9831 33.3780 176.3207 67 G 4.1124 7.6915 107.5743 45.8734 0.0000 171.5291 68 R 4.6498 7.9821 117.4396 55.0995 30.7101 175.9973 69 P 3.9569 0.0000 0.0000 65.6747 31.4752 178.3309 70 A 4.0008 8.0614 118.9448 55.1671 18.4308 179.4551 71 A 3.9258 8.1008 119.2888 55.2464 18.5084 179.8969 72 V 3.5087 7.8096 116.0421 66.0832 31.5033 177.7500 73 A 3.9718 8.0307 120.2708 55.4612 17.9989 179.5084 74 E 3.9756 8.5739 117.6390 59.3463 29.5025 180.1212 75 V 3.5476 7.9425 119.2767 65.2439 31.5652 178.3609 76 M 4.1782 8.1651 119.6066 58.2544 31.4546 178.9694 77 T 3.8517 7.4753 115.1674 66.6877 68.8447 176.2575 78 H 4.2752 7.6530 117.7933 58.8596 28.5186 177.6066 79 I 3.6189 8.1544 121.9557 64.8342 36.6897 178.4015 80 Q 3.9527 7.6240 117.1180 58.5291 28.5976 178.4092 81 R 4.1135 7.8024 118.4351 57.3017 30.0775 176.6860 82 D 4.3415 7.3666 119.3968 54.3540 41.4522 176.8839 83 R 4.1576 8.5268 126.2826 58.3752 30.6727 177.0203 84 R 4.2203 8.5384 116.3647 57.9917 30.2238 175.1989 85 H 5.2194 7.6736 111.5717 55.5141 31.5897 171.6582 86 S 4.3363 9.3655 113.3986 58.3242 66.0223 173.7995 87 N 4.0336 8.5807 114.9406 54.4979 35.3253 177.1269 88 V 4.0447 7.3171 116.6423 62.5079 31.8430 174.9006 89 E 4.4598 8.8410 127.2831 55.4144 30.7666 176.0286 90 I 4.7722 8.4068 124.4552 59.5651 40.8038 175.4114 91 L 4.6543 7.9153 122.3425 53.4928 43.6850 176.5105 92 A 3.5769 8.6689 125.2985 52.1415 17.6666 177.9111 93 E 3.7422 7.6363 123.3026 53.8964 26.5511 175.5708 94 E 4.3451 8.8878 125.8843 54.5690 30.8692 173.8368 95 P 4.9101 0.0000 0.0000 62.3689 32.3614 175.7332 96 I 4.4779 8.2584 116.1771 58.9832 39.7796 174.9657 97 A 4.0185 9.2475 128.2700 54.3089 18.7191 177.3451 98 K 4.7444 7.4437 113.2449 54.0607 35.9269 176.2084 99 R 4.3954 8.5256 118.7199 56.9548 30.5572 176.5091 100 R 4.3442 9.4592 117.8111 56.6101 32.6093 176.0564 101 F 5.0528 9.1279 116.7288 56.4373 39.4000 175.3740 102 A 4.2588 7.8694 122.9521 53.6694 19.3046 176.6544 103 G 3.9766 8.9784 111.1915 45.2717 0.0000 173.9877 104 W 4.5616 7.7087 121.2181 56.1612 28.7822 176.8406 105 H 4.7403 8.8957 121.7001 58.5848 29.0088 176.0194 106 M 4.7974 7.5785 115.0753 54.9615 33.0197 172.8315 107 Q 4.0627 8.8263 123.4969 55.5414 30.6366 174.3307 108 L 5.0427 8.4524 128.7613 53.5070 44.2477 175.2994 109 S 4.7237 9.4524 121.5234 56.8954 64.3271 172.6769 110 C 5.2169 8.5479 128.4040 57.6712 33.8160 173.8132 111 S 4.4187 8.8360 121.2796 58.0689 63.5763 175.1509 112 E 3.9838 8.8218 120.4930 59.3854 29.1081 179.6383 113 A 3.9702 7.9126 120.3829 55.4018 18.5136 179.1671 114 D 4.4007 8.1821 117.4275 57.7749 40.6437 178.7687 115 M 4.0325 8.2605 118.6754 58.7180 31.9838 178.5347 116 R 4.0190 7.7313 117.2213 59.2923 30.5454 179.0798 117 S 4.2378 8.0465 114.7817 61.6177 63.1446 176.3145 118 L 4.3042 8.0258 123.0674 57.7417 41.3500 178.2687 119 G 4.2366 7.3680 101.9800 43.2700 0.0000 172.9389 120 L 4.3036 8.0472 123.5045 53.9449 42.3707 176.2310 121 A 4.0036 8.5896 128.2040 52.5705 18.2920 177.2338 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 *14 S 8.33 4.48 0.00 3.65 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 15 D 7.65 4.73 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 5.09 0.00 1.71 1.60 0.96 0.86 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 17 V 8.80 4.69 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 0.72 0.00 0.00 0.96 0.00 0.00 18 S 9.06 4.87 0.00 3.54 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 19 C 9.04 4.90 0.00 2.85 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 20 S 8.58 5.46 0.00 3.81 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 21 Y 8.54 5.29 0.00 3.22 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 22 R 9.17 4.89 0.00 1.71 1.72 0.00 2.83 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.00 23 S 9.66 5.21 0.00 4.38 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 0.00 24 L 8.76 5.11 0.00 1.81 1.54 0.87 0.97 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 25 A 9.01 4.76 1.14 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 0.00 0.00 26 A 9.23 4.26 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 27 P 0.00 4.35 0.00 2.17 2.19 0.00 3.50 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 28 D 7.80 4.85 0.00 2.79 2.77 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 29 L 7.75 4.14 0.00 1.84 1.59 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.62 4.75 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 1.20 0.00 0.00 31 L 8.04 3.82 0.00 1.88 1.69 0.96 0.90 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 32 R 7.97 3.85 0.00 1.94 1.90 0.00 3.29 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 33 D 7.58 4.33 0.00 3.03 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 34 L 7.88 3.92 0.00 1.73 1.70 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.20 4.01 0.00 2.00 1.71 0.95 0.95 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 36 D 8.48 4.36 0.00 2.80 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 37 I 8.04 3.69 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.14 0.76 0.00 0.00 38 V 7.69 3.64 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 1.03 0.00 0.00 1.01 0.00 0.00 39 E 8.12 3.94 0.00 2.28 1.93 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 2.32 2.36 0.00 40 T 7.93 3.86 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 41 S 7.83 4.14 0.00 4.07 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 0.00 42 Q 8.73 4.21 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 43 A 8.07 3.96 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 44 H 8.42 4.18 0.00 3.24 3.40 0.00 5.80 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 45 N 8.97 4.21 0.00 2.93 3.23 0.00 0.00 6.99 5.12 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 46 A 7.85 3.26 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 47 R 7.39 3.91 0.00 1.91 1.97 0.00 3.15 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 48 A 7.76 4.35 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.41 3.53 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 50 L 7.89 4.54 0.00 1.69 1.67 0.97 0.92 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 51 T 9.86 4.87 4.79 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 0.00 0.00 1.31 0.00 0.00 52 G 7.26 4.34 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 0.00 53 A 7.29 4.88 0.55 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 54 L 9.00 5.12 0.00 1.71 1.52 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.57 5.52 0.00 3.01 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 56 Y 8.68 4.90 0.00 3.09 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 57 S 7.48 4.06 0.00 3.21 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 58 Q 10.37 3.39 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.23 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 59 G 6.81 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 0.00 0.00 0.00 60 V 6.98 4.50 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 0.74 0.00 0.00 0.81 0.00 0.00 61 F 8.63 5.64 0.00 3.16 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 62 F 9.42 5.32 0.00 3.09 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 63 Q 8.32 4.98 0.00 1.76 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 64 W 9.04 5.12 0.00 3.52 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 65 L 8.69 5.47 0.00 1.55 1.49 1.00 0.80 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 66 E 10.55 5.09 0.00 2.11 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 0.00 2.68 2.53 0.00 67 G 7.69 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 0.00 0.00 0.00 68 R 7.98 4.65 0.00 1.90 1.86 0.00 3.46 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.63 0.00 69 P 0.00 3.96 0.00 2.16 2.02 0.00 3.78 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 2.21 2.21 0.00 70 A 8.06 4.00 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 71 A 8.10 3.93 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 72 V 7.81 3.51 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 1.00 0.00 0.00 0.96 0.00 0.00 73 A 8.03 3.97 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 74 E 8.57 3.98 0.00 2.07 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 2.35 2.36 0.00 75 V 7.94 3.55 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 0.96 0.00 0.00 76 M 8.17 4.18 0.00 1.99 2.37 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.83 0.00 77 T 7.48 3.85 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 1.12 0.00 0.00 78 H 7.65 4.28 0.00 3.34 3.29 0.00 5.64 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 79 I 8.15 3.62 1.67 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 1.48 0.98 0.65 0.00 0.00 80 Q 7.62 3.95 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 81 R 7.80 4.11 0.00 1.94 1.96 0.00 3.30 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 82 D 7.37 4.34 0.00 2.68 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 83 R 8.53 4.16 0.00 1.82 1.94 0.00 3.29 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 84 R 8.54 4.22 0.00 2.05 2.01 0.00 3.20 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 85 H 7.67 5.22 0.00 3.57 3.58 0.00 5.61 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 86 S 9.37 4.34 0.00 3.94 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 87 N 8.58 4.03 0.00 2.83 2.88 0.00 0.00 6.81 7.68 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 88 V 7.32 4.04 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 0.41 0.00 0.00 0.69 0.00 0.00 89 E 8.84 4.46 0.00 1.99 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 2.47 2.45 0.00 90 I 8.41 4.77 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.94 0.00 0.00 91 L 7.92 4.65 0.00 1.66 1.58 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.67 3.58 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 93 E 7.64 3.74 0.00 1.98 1.92 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 2.27 2.33 0.00 94 E 8.89 4.35 0.00 2.05 1.72 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 2.32 2.35 0.00 95 P 0.00 4.91 0.00 2.00 1.97 0.00 3.68 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 2.03 2.08 0.00 96 I 8.26 4.48 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 1.16 0.00 0.00 97 A 9.25 4.02 1.31 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 0.00 0.00 98 K 7.44 4.74 0.00 1.85 1.78 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.42 7.81 99 R 8.53 4.40 0.00 1.90 2.14 0.00 3.22 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 100 R 9.46 4.34 0.00 1.86 1.47 0.00 2.47 0.00 0.00 2.74 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.36 0.00 101 F 9.13 5.05 0.00 3.38 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 0.00 102 A 7.87 4.26 1.27 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 0.00 103 G 8.98 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 0.00 104 W 7.71 4.56 0.00 3.77 3.23 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 0.00 105 H 8.90 4.74 0.00 3.40 3.40 0.00 5.74 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 0.00 106 M 7.58 4.80 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 107 Q 8.83 4.06 0.00 1.72 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 1.90 1.16 0.00 108 L 8.45 5.04 0.00 1.69 1.56 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.45 4.72 0.00 4.04 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 0.00 110 C 8.55 5.22 0.00 3.04 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 0.00 111 S 8.84 4.42 0.00 4.08 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 0.00 112 E 8.82 3.98 0.00 2.09 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 2.42 2.46 0.00 113 A 7.91 3.97 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 0.00 114 D 8.18 4.40 0.00 2.92 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 0.00 115 M 8.26 4.03 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 116 R 7.73 4.02 0.00 2.05 1.98 0.00 3.22 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 117 S 8.05 4.24 0.00 3.93 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 0.00 118 L 8.03 4.30 0.00 1.97 1.62 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.37 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 0.00 120 L 8.05 4.30 0.00 1.80 1.59 0.92 1.05 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 0.00 121 A 8.59 4.00 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 * Residues marked with a * may have inaccurate shift predictions.