NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4557 8.3049 120.3497 54.8144 34.1291 176.0997 2 N 4.2011 8.3720 115.5818 55.7712 38.9774 173.3864 3 R 4.5114 7.9075 118.2503 54.0097 32.1334 176.4381 4 G 3.6390 8.6543 113.1053 47.8827 0.0000 174.5634 5 A 3.9106 7.9915 121.7639 54.4167 18.8047 178.9052 6 L 3.8863 7.8185 118.4552 58.7394 42.1873 179.3429 7 I 3.9298 7.6451 118.7567 64.1096 36.9514 178.4446 8 K 4.1576 7.5843 119.0535 58.7033 31.7807 179.4127 9 L 3.9941 8.0080 119.1729 57.7284 41.6952 179.0089 10 V 3.7182 7.9560 117.1530 66.3196 31.4630 177.0023 11 E 4.2522 7.8383 116.9658 59.1986 30.0473 178.9474 12 S 4.5371 8.1388 120.9156 58.7870 61.8759 174.0245 13 R 4.6001 8.4687 126.4051 56.0786 30.7719 176.0713 14 Y 4.6294 7.7604 113.6517 57.6892 38.7842 176.5652 15 V 3.9012 7.5556 112.3002 61.2495 32.4618 176.3142 16 R 4.5727 8.1992 121.5532 56.0166 31.5765 176.7923 17 T 4.5380 7.9101 112.2326 60.7039 67.7892 173.9064 18 D 4.7715 8.0440 117.2086 52.2848 41.7539 175.2298 19 L 4.2543 7.8026 120.3543 53.3651 42.4264 174.8670 20 P 4.2484 0.0000 0.0000 62.8629 31.8120 175.6250 21 E 4.0225 8.6712 123.5530 55.7825 29.9257 175.6626 22 F 5.0537 7.5304 120.0770 55.5804 41.4860 173.3437 23 R 4.4740 8.8491 114.3784 55.8353 31.3637 175.0363 24 P 4.5719 0.0000 0.0000 64.3124 29.7962 176.3978 25 G 3.7363 8.8843 102.3833 45.5902 0.0000 175.7058 26 D 4.7117 8.5092 114.7488 54.2287 43.3709 174.6428 27 T 4.4477 7.2647 117.3491 62.5975 70.8469 173.0393 28 V 4.6468 7.1938 113.7670 62.6461 33.9470 171.4382 29 R 4.4153 8.7123 124.5305 55.8112 33.3070 173.6196 30 V 3.6434 8.0003 114.0976 61.3650 36.2458 174.9125 31 S 3.8478 7.1775 120.2257 57.9638 67.2669 173.9921 32 Y 4.3700 8.2403 118.2328 57.2046 43.3773 172.8964 33 K 3.6458 8.5539 121.9741 56.0933 30.6646 174.4353 34 V 4.3277 8.0740 122.6188 60.6134 33.1990 174.8451 35 K 4.1159 8.5296 124.4729 57.6110 33.8833 175.7413 36 E 3.6474 9.7690 118.3417 56.5476 30.0322 174.2856 37 G 4.1816 9.6150 106.5661 45.1371 0.0000 171.2923 38 N 4.6846 6.5302 125.9774 52.2679 43.7180 176.4960 39 R 5.5920 8.3382 119.7277 57.0968 31.3248 174.0016 40 T 4.7563 8.0411 111.0910 63.1278 70.5312 171.8750 41 R 4.1579 8.7900 118.7189 55.9134 29.5177 177.2944 42 I 3.1167 7.3137 102.8589 61.7832 35.9272 172.8799 43 Q 4.4224 8.4021 129.3214 55.6093 30.6778 173.9650 44 D 5.1883 8.5335 123.1281 52.7033 43.4889 176.1058 45 F 4.6462 8.5678 122.9733 56.5869 41.7893 173.4337 46 E 4.1567 8.1875 127.8758 55.0821 30.0295 175.1146 47 G 3.8702 7.2995 112.0358 45.7466 0.0000 172.3208 48 I 4.3231 7.8970 121.2750 60.5500 38.7463 176.2609 49 V 4.5174 8.2987 126.1065 61.1757 32.2257 176.7236 50 I 3.7818 8.7072 128.2130 64.0502 38.2867 176.0285 51 R 4.6829 7.6500 119.0246 55.8674 33.5227 174.1300 52 I 5.6881 8.1243 122.9779 59.3881 40.3907 175.0205 53 R 4.3523 8.7502 126.8981 55.8182 31.5461 175.8788 54 R 4.9179 8.3915 121.4470 53.9725 32.7944 176.5886 55 N 4.7165 8.6899 122.1653 52.0430 39.1544 174.6966 56 G 3.9906 8.0227 105.7214 45.7122 0.0000 176.6759 57 F 4.7174 8.2905 124.4196 58.8140 42.6819 175.7189 58 N 3.5128 5.8798 113.8304 53.1420 35.8827 173.7012 59 T 4.7125 7.5524 111.7413 61.7806 71.3703 174.3129 60 T 5.3270 8.4480 112.8201 60.3714 72.9255 172.1487 61 F 5.7188 8.9529 114.9574 56.1595 41.6122 173.3394 62 T 5.0998 9.1287 110.8299 60.0805 72.0445 172.6933 63 V 5.0383 8.8642 123.6134 61.2894 34.6736 174.0960 64 R 5.2807 9.2532 127.7923 54.9475 32.7674 174.4317 65 K 4.6233 8.8794 124.6774 55.4489 36.6076 174.5051 66 V 4.5855 8.0721 122.7166 61.3085 33.6335 175.8153 67 S 4.1288 9.4493 126.6149 58.0866 60.8970 172.9940 68 Y 3.7467 7.5939 123.1341 57.8712 36.3474 170.0666 69 G 4.2569 8.1399 107.3638 45.1828 0.0000 171.6702 70 V 4.4903 7.8263 119.0424 60.6028 34.8425 175.1183 71 G 4.2198 8.7288 113.9822 45.9561 0.0000 173.0893 72 V 4.6518 9.4819 122.8103 61.0166 35.0539 173.7241 73 E 5.3435 9.0081 126.8092 54.6743 31.9893 175.4602 74 R 4.3181 9.0274 122.8388 54.1415 33.6198 174.6777 75 I 4.5543 7.6671 122.8614 59.4774 39.5134 174.8732 76 F 4.9601 8.5101 125.9550 55.0696 41.5632 175.2108 77 P 4.3944 0.0000 0.0000 63.8504 31.4982 177.6328 78 L 4.3621 9.8361 116.4029 55.0880 39.1352 173.5701 79 H 4.9010 7.9302 113.8761 55.7830 32.4312 172.0141 80 S 4.5536 8.8307 121.7673 58.2029 61.7384 168.4796 81 P 4.5407 0.0000 0.0000 64.4250 31.8209 177.3874 82 L 4.8525 8.4240 117.4749 55.5187 40.7036 176.7123 83 I 3.9766 8.3727 117.0737 62.7912 38.2893 175.7370 84 Q 4.8127 7.5475 117.1110 53.7307 31.5503 175.3733 85 K 4.4713 8.0678 115.7966 54.2845 31.6305 176.5625 86 I 3.7121 7.9490 118.6814 61.3219 38.5827 173.6122 87 D 5.0036 8.2701 125.0674 51.1684 40.5809 175.2412 88 I 3.4141 7.9261 125.1931 63.7582 37.8566 175.7216 89 V 4.2487 8.0905 122.2784 61.2000 33.3824 176.7728 90 Q 4.3331 8.7979 123.1130 56.8807 30.1776 177.7036 91 R 3.9736 9.1905 117.9463 57.8356 28.8159 177.7392 92 G 3.9795 9.6291 107.5096 46.5778 0.0000 173.1363 93 R 3.8149 7.7415 119.2350 56.5621 29.3398 175.5312 94 A 4.8923 8.2925 127.1359 50.6097 21.8471 175.8900 95 R 4.5803 8.5004 116.8104 55.8624 30.6697 176.7054 96 R 4.6653 7.5371 113.0468 54.2863 32.1120 174.5874 97 A 4.0189 8.5562 122.8168 54.6654 18.7461 177.4707 98 K 4.3463 7.8374 113.8963 54.7576 33.9510 177.5513 99 L 5.0299 7.7719 123.8179 54.2631 39.9940 176.8952 100 Y 4.0914 7.8108 119.3941 60.2827 38.0535 177.0402 101 F 4.3662 8.5924 116.2287 59.9018 37.5538 177.3010 102 I 3.6172 6.6223 113.3592 63.7345 37.0838 178.0833 103 R 4.0836 7.8076 119.1693 58.3675 29.9320 176.8518 104 N 5.0302 7.5273 112.4071 52.9590 39.2896 175.2736 105 L 4.5966 8.1362 119.7943 53.2361 42.8669 177.1234 106 S 4.3306 8.3223 114.5449 59.3838 62.9821 173.1386 107 D 4.5319 7.5445 132.7885 52.8974 42.4505 180.1809 108 R 4.0762 8.2583 113.5902 58.6830 29.4698 178.2308 109 E 3.9745 8.1913 119.8968 59.2205 29.4313 179.0541 110 I 3.7261 7.7673 119.3614 64.7203 37.0413 178.4095 111 R 4.0327 7.3432 116.2374 59.3798 29.9134 178.8502 112 R 4.0587 7.9780 117.8856 59.1367 30.1310 178.3834 113 K 4.4508 8.1714 117.6093 57.8651 32.8243 177.7294 114 L 4.5037 8.2759 121.0105 52.5310 41.6294 175.9657 115 R 4.6016 7.5733 121.5048 53.2215 33.2223 176.0961 116 A 3.9637 8.4401 122.1988 53.2090 19.1489 179.0838 117 D 4.6542 8.5515 124.6696 52.7393 38.0768 176.7842 118 R 3.8626 7.6437 124.3235 59.1690 30.8137 177.4883 119 K 3.7900 8.2426 118.5432 60.2081 31.8711 178.4904 120 R 4.0929 7.8285 116.0337 58.1518 30.3210 178.6385 121 I 4.1731 7.6806 120.3680 64.0848 37.5813 177.6205 122 D 4.4107 8.4524 120.4057 57.4998 40.6060 178.9883 123 Q 4.0760 7.7841 117.2307 59.1700 28.4528 178.1917 124 D 4.5259 7.7809 120.0217 57.5407 41.0782 177.5112 125 R 4.0161 8.2806 119.2797 56.6830 29.8913 178.1790 126 A 4.0108 7.8912 121.3270 55.6618 18.7967 179.3356 127 A 4.2922 8.0829 115.1934 53.1584 18.1282 178.2682 128 E 3.7959 8.7875 119.3984 59.1796 30.5885 178.0466 129 R 3.4410 7.2933 116.4993 57.2548 28.3739 174.8907 130 A 4.3887 8.7669 118.2576 52.7141 19.4107 179.4879 131 A 4.2973 7.7234 124.5815 53.1283 16.9949 178.9949 132 K 4.3081 7.9369 123.5828 56.1567 30.0201 177.8708 133 E 4.2615 7.6419 120.1576 54.4015 28.6989 173.3079 134 E 4.2886 7.9610 122.4161 55.3844 31.7615 174.3055 135 A 3.7143 8.9289 128.8188 53.1855 15.2398 177.0841 136 Q 4.3752 7.6590 116.0660 57.9635 32.3940 176.1165 137 K 4.1544 7.5433 121.1371 54.9965 31.4060 176.4913 *138 A 4.1219 7.6263 126.0433 52.5743 18.7921 176.7875 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 8.30 4.46 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 2 N 8.37 4.20 0.00 2.84 2.87 0.00 0.00 6.81 6.78 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 3 R 7.91 4.51 0.00 1.85 1.87 0.00 3.30 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 4 G 8.65 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 5 A 7.99 3.91 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 6 L 7.82 3.89 0.00 1.73 1.90 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.65 3.93 1.89 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 0.88 0.93 0.00 0.00 8 K 7.58 4.16 0.00 1.85 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 9 L 8.01 3.99 0.00 1.79 1.74 0.94 0.88 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 10 V 7.96 3.72 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 0.80 0.00 0.00 0.93 0.00 0.00 11 E 7.84 4.25 0.00 2.28 2.30 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 2.40 2.54 0.00 12 S 8.14 4.54 0.00 4.02 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.47 4.60 0.00 1.51 1.69 0.00 3.31 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.48 0.00 14 Y 7.76 4.63 0.00 2.66 2.94 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 0.00 15 V 7.56 3.90 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 0.48 0.00 0.00 0.88 0.00 0.00 16 R 8.20 4.57 0.00 1.62 1.80 0.00 3.66 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 17 T 7.91 4.54 4.23 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 1.20 0.00 0.00 18 D 8.04 4.77 0.00 2.76 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 19 L 7.80 4.25 0.00 1.66 1.68 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.25 0.00 2.10 2.04 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 21 E 8.67 4.02 0.00 1.88 1.84 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 2.22 2.19 0.00 22 F 7.53 5.05 0.00 3.05 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 23 R 8.85 4.47 0.00 1.95 1.95 0.00 2.96 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 24 P 0.00 4.57 0.00 2.14 2.25 0.00 3.69 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 25 G 8.88 3.74 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 0.00 0.00 0.00 26 D 8.51 4.71 0.00 2.69 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 27 T 7.26 4.45 3.74 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 0.86 0.00 0.00 28 V 7.19 4.65 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 0.73 0.00 0.00 0.87 0.00 0.00 29 R 8.71 4.42 0.00 1.81 1.70 0.00 3.29 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 30 V 8.00 3.64 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 0.94 0.00 0.00 1.02 0.00 0.00 31 S 7.18 3.85 0.00 2.72 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 32 Y 8.24 4.37 0.00 3.07 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 33 K 8.55 3.65 0.00 1.89 1.88 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.23 1.45 7.81 34 V 8.07 4.33 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 0.91 0.00 0.00 0.98 0.00 0.00 35 K 8.53 4.12 0.00 1.97 1.90 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.23 7.81 36 E 9.77 3.65 0.00 2.13 2.13 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 2.19 2.24 0.00 37 G 9.62 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 0.00 0.00 0.00 38 N 6.53 4.68 0.00 2.81 2.16 0.00 0.00 6.25 7.66 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 39 R 8.34 5.59 0.00 2.03 2.10 0.00 3.02 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 40 T 8.04 4.76 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 1.24 0.00 0.00 41 R 8.79 4.16 0.00 1.94 2.31 0.00 3.50 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 42 I 7.31 3.12 1.88 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 1.30 0.62 0.94 0.00 0.00 43 Q 8.40 4.42 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 44 D 8.53 5.19 0.00 2.58 2.54 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 45 F 8.57 4.65 0.00 3.01 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 46 E 8.19 4.16 0.00 1.81 1.62 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 2.10 2.17 0.00 47 G 7.30 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 48 I 7.90 4.32 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.95 0.00 0.00 49 V 8.30 4.52 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 1.30 0.00 0.00 50 I 8.71 3.78 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.74 0.64 0.00 0.00 51 R 7.65 4.68 0.00 1.59 1.52 0.00 3.18 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 52 I 8.12 5.69 1.89 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 1.61 0.70 0.94 0.00 0.00 53 R 8.75 4.35 0.00 1.83 1.87 0.00 3.11 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 54 R 8.39 4.92 0.00 1.67 1.82 0.00 3.24 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 55 N 8.69 4.72 0.00 2.64 2.84 0.00 0.00 7.05 7.98 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 56 G 8.02 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 0.00 0.00 0.00 57 F 8.29 4.72 0.00 2.95 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 58 N 5.88 3.51 0.00 2.64 2.49 0.00 0.00 5.83 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 59 T 7.55 4.71 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 1.37 0.00 0.00 60 T 8.45 5.33 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 1.24 0.00 0.00 61 F 8.95 5.72 0.00 3.56 3.25 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 62 T 9.13 5.10 4.31 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 1.22 0.00 0.00 63 V 8.86 5.04 2.79 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 1.13 0.00 0.00 1.24 0.00 0.00 64 R 9.25 5.28 0.00 1.89 1.72 0.00 3.41 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 65 K 8.88 4.62 0.00 1.57 1.31 0.00 1.46 0.00 0.00 1.34 0.00 0.00 2.74 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.00 1.27 7.81 66 V 8.07 4.59 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 0.87 0.00 0.00 0.91 0.00 0.00 67 S 9.45 4.13 0.00 3.97 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 68 Y 7.59 3.75 0.00 3.20 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 69 G 8.14 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 70 V 7.83 4.49 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 0.98 0.00 0.00 0.98 0.00 0.00 71 G 8.73 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 72 V 9.48 4.65 2.35 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 1.05 0.00 0.00 1.06 0.00 0.00 73 E 9.01 5.34 0.00 1.87 1.84 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 2.25 2.34 0.00 74 R 9.03 4.32 0.00 0.87 0.66 0.00 2.48 0.00 0.00 2.72 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 75 I 7.67 4.55 1.67 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 1.23 0.45 0.83 0.00 0.00 76 F 8.51 4.96 0.00 2.18 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 77 P 0.00 4.39 0.00 2.16 2.12 0.00 3.92 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 78 L 9.84 4.36 0.00 2.29 2.26 0.94 0.93 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 79 H 7.93 4.90 0.00 3.31 3.39 0.00 5.93 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 80 S 8.83 4.55 0.00 4.13 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 81 P 0.00 4.54 0.00 1.09 1.64 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.88 0.00 82 L 8.42 4.85 0.00 1.80 1.81 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.37 3.98 1.90 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 1.48 0.62 0.97 0.00 0.00 84 Q 7.55 4.81 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.51 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 85 K 8.07 4.47 0.00 1.69 1.66 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.28 1.41 7.81 86 I 7.95 3.71 1.84 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 1.44 1.33 0.87 0.00 0.00 87 D 8.27 5.00 0.00 2.69 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 88 I 7.93 3.41 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.87 0.00 0.00 89 V 8.09 4.25 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 0.84 0.00 0.00 0.96 0.00 0.00 90 Q 8.80 4.33 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 91 R 9.19 3.97 0.00 1.81 1.66 0.00 3.25 0.00 0.00 3.17 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 92 G 9.63 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 93 R 7.74 3.81 0.00 1.98 1.93 0.00 3.40 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 94 A 8.29 4.89 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 95 R 8.50 4.58 0.00 1.80 1.96 0.00 3.37 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 96 R 7.54 4.67 0.00 1.93 1.88 0.00 2.92 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 97 A 8.56 4.02 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 98 K 7.84 4.35 0.00 1.87 1.80 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.21 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.38 7.81 99 L 7.77 5.03 0.00 1.53 2.03 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.81 4.09 0.00 3.10 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 0.00 101 F 8.59 4.37 0.00 3.26 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 0.00 102 I 6.62 3.62 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 0.16 0.00 0.00 103 R 7.81 4.08 0.00 1.90 2.11 0.00 3.18 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 104 N 7.53 5.03 0.00 2.78 2.85 0.00 0.00 6.77 7.73 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 0.00 105 L 8.14 4.60 0.00 1.63 1.83 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.32 4.33 0.00 3.96 3.92 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 0.00 107 D 7.54 4.53 0.00 2.80 2.33 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 0.00 108 R 8.26 4.08 0.00 2.07 2.23 0.00 2.98 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 109 E 8.19 3.97 0.00 2.19 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 0.00 2.36 2.51 0.00 110 I 7.77 3.73 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.84 0.87 0.00 0.00 111 R 7.34 4.03 0.00 1.90 2.01 0.00 3.15 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 112 R 7.98 4.06 0.00 1.98 2.12 0.00 3.27 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 113 K 8.17 4.45 0.00 2.07 2.08 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.88 7.81 114 L 8.28 4.50 0.00 1.63 1.65 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.57 4.60 0.00 1.78 1.83 0.00 3.39 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 1.67 1.54 0.00 116 A 8.44 3.96 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 0.00 117 D 8.55 4.65 0.00 2.92 2.58 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 0.00 118 R 7.64 3.86 0.00 1.86 1.98 0.00 3.37 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 119 K 8.24 3.79 0.00 1.82 2.03 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 120 R 7.83 4.09 0.00 1.83 1.98 0.00 3.21 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.05 0.00 121 I 7.68 4.17 2.04 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 1.14 0.91 0.00 0.00 122 D 8.45 4.41 0.00 2.65 2.73 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 0.00 0.00 0.00 123 Q 7.78 4.08 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 124 D 7.78 4.53 0.00 2.91 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 0.00 125 R 8.28 4.02 0.00 2.07 1.79 0.00 3.33 0.00 0.00 3.34 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.63 0.00 126 A 7.89 4.01 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 0.00 127 A 8.08 4.29 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 0.00 128 E 8.79 3.80 0.00 2.01 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 0.00 2.23 2.49 0.00 129 R 7.29 3.44 0.00 1.90 2.15 0.00 3.37 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 130 A 8.77 4.39 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 0.00 131 A 7.72 4.30 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 0.00 132 K 7.94 4.31 0.00 1.76 1.80 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.42 7.81 133 E 7.64 4.26 0.00 1.92 1.88 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 2.24 2.28 0.00 134 E 7.96 4.29 0.00 1.88 1.77 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 2.18 2.35 0.00 135 A 8.93 3.71 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 0.00 136 Q 7.66 4.38 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.44 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 137 K 7.54 4.15 0.00 1.74 1.82 0.00 1.86 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *138 A 7.63 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.