NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.8834 8.2893 118.1591 54.9564 32.4858 173.6019 2 F 4.8920 7.1199 112.9838 54.2409 41.0793 171.2241 3 E 4.2967 8.8395 120.8217 55.7991 31.0299 177.9928 4 Q 4.1163 8.3981 122.4698 55.9819 29.7313 175.9512 5 R 4.4288 8.1823 123.7660 54.0509 31.2268 175.1903 6 V 3.8705 8.0217 118.3178 60.8623 32.7381 177.2303 7 N 4.2459 8.9375 119.6809 56.6627 38.6533 177.6402 8 S 4.1931 8.1681 111.5481 61.2600 62.9615 174.7153 9 D 4.4687 8.2805 120.5032 55.2377 41.0044 177.4891 *10 V 3.9870 7.0462 118.7920 60.2158 33.5241 180.7488 11 L 4.8221 8.0211 121.4814 53.3912 43.2243 175.0429 12 T 5.1487 8.3536 113.4228 59.7836 72.3570 173.5224 13 V 4.5469 8.3016 122.1789 59.8186 34.8365 174.8392 14 S 4.5700 8.6941 119.4278 58.7799 63.3673 173.6129 15 T 4.7013 8.6623 114.8399 59.8002 71.8835 173.0229 16 V 4.6441 8.3455 123.3237 61.8792 33.1897 174.8813 17 N 4.9472 8.5161 125.2688 50.7955 39.9621 175.6111 18 S 4.0530 8.7474 112.8563 61.7591 62.5931 175.3949 19 Q 4.3250 8.2634 117.4680 55.0081 28.9054 175.2757 20 D 4.3393 8.2976 115.0949 55.1840 39.8537 173.7701 21 Q 4.3299 7.4435 119.3183 54.2841 32.4610 173.5599 22 V 3.9519 8.4807 125.5080 62.8319 31.3013 174.6167 23 T 4.6175 8.4863 120.7076 60.4976 72.1612 173.5699 24 Q 4.9804 8.6419 118.4781 53.1873 30.5115 175.2561 25 K 4.2960 8.3073 120.5876 55.5015 34.6810 175.4023 26 P 4.7528 0.0000 0.0000 62.3613 32.3000 177.4644 27 L 4.0080 8.6210 121.3087 58.1784 41.7786 179.2687 28 R 3.8778 7.9431 117.9832 59.7024 30.1085 178.3511 29 D 4.3952 7.7631 117.3383 57.1036 40.7376 179.1479 30 S 4.0926 8.0395 116.1124 61.4831 62.9073 176.6815 31 V 3.5407 7.7119 120.4042 65.8420 31.2444 177.8100 32 K 3.9092 8.1421 118.2187 59.7726 32.1004 179.0839 33 Q 3.9484 8.1526 119.3412 59.1156 28.7825 177.9637 34 A 4.0090 8.1214 121.8348 55.0035 18.2388 179.7224 35 L 3.7763 7.7794 117.3043 57.6700 41.7448 179.6916 36 K 4.2700 8.3083 119.1626 59.9470 31.9515 178.6312 37 N 4.5189 8.2008 117.5404 55.2786 37.1085 176.7471 38 Y 4.0798 7.5870 122.1761 60.5030 38.5474 177.9402 39 F 4.2463 8.0491 118.1926 60.2602 39.1117 176.8390 40 A 4.1764 7.6660 119.2418 55.7216 18.1356 179.4933 41 Q 4.0723 7.4859 114.5241 58.4272 30.6499 178.1654 42 L 4.1734 7.3004 119.8741 55.1984 38.3404 175.6250 43 N 4.8214 7.8203 117.8393 52.5679 39.2610 175.4484 44 G 4.5625 8.2232 115.3815 44.7220 0.0000 171.8202 45 Q 4.1789 8.1365 117.1628 55.1897 29.5147 175.5945 46 D 4.5762 8.4401 119.3811 53.3288 40.3008 175.5715 47 V 4.5889 8.1700 119.7464 61.3853 33.8808 174.9474 48 N 5.1635 8.5996 122.4845 52.4243 38.0782 174.7463 49 D 4.6891 8.1237 113.2470 54.4916 43.9836 176.1995 50 L 3.9884 8.1743 120.9628 58.7194 41.8850 178.0646 51 Y 3.8160 7.9966 119.2760 60.6105 38.9075 177.0794 52 E 4.0507 8.3878 119.7156 59.1431 29.6250 178.2101 53 L 3.8699 7.9646 120.3627 58.2623 42.0283 179.3191 54 V 3.3402 7.3645 117.4824 65.7917 31.4814 177.2841 55 L 3.7207 7.8803 120.3421 58.2938 41.9124 178.5216 56 A 4.2712 8.2094 121.9762 54.7721 18.1054 179.2611 57 E 3.7928 7.5756 115.7889 59.0670 29.4455 178.6009 58 V 3.8150 7.7097 117.9800 65.0896 31.8537 177.8550 59 E 3.8683 8.6407 118.7494 59.3458 29.2168 178.8832 60 Q 3.4622 7.1929 117.4825 58.6016 28.7005 177.5357 61 P 4.1496 0.0000 0.0000 65.5484 31.3282 178.1692 62 L 3.9960 7.4276 118.2598 58.1637 41.9265 178.6504 63 L 3.9361 7.8822 118.6436 58.1191 41.7560 178.7277 64 D 4.3382 8.2492 117.8044 58.0852 41.1605 178.3681 65 M 4.0279 8.7665 118.9287 58.6500 32.3158 178.4606 66 V 3.6610 8.1436 118.7960 66.2807 31.6318 177.9855 67 M 4.4182 8.3208 120.0157 57.7743 31.3924 178.8014 68 Q 4.0139 8.1057 118.3801 58.9057 28.6430 178.0765 69 Y 4.0874 7.7045 119.5519 60.9262 39.0375 177.6601 70 T 4.0045 8.6988 109.2989 61.6432 69.5143 174.1395 71 R 3.5295 8.4426 119.7240 57.6149 27.7560 177.1558 72 G 3.8091 8.7001 104.8731 45.7382 0.0000 174.0815 73 N 4.6008 7.6562 118.8713 52.5035 38.8401 175.1574 74 Q 4.0347 8.4623 128.2504 58.9691 28.9110 178.3134 75 T 3.8844 7.9736 116.3696 67.0660 68.5585 176.5888 76 R 3.9522 7.9737 118.8558 58.9496 30.1988 178.5464 77 A 4.0181 8.1170 120.4429 55.4906 18.5294 179.6132 78 A 4.0020 8.2209 118.8978 55.0548 18.1581 179.8110 79 L 3.9399 7.5363 116.7915 58.3410 41.8848 179.4529 80 M 4.2366 7.9725 115.1796 58.3862 31.3693 178.0476 81 M 4.2561 8.0596 119.1013 56.0721 32.1637 177.4536 82 G 3.8746 7.9886 106.1792 45.3619 0.0000 172.9035 83 I 4.4021 7.1787 111.8636 58.3464 40.0892 175.2384 84 N 4.4800 8.3005 118.6871 53.3730 40.7075 175.4881 85 R 3.9798 8.6725 126.4596 59.4930 30.1483 179.2051 86 G 3.5842 7.8889 104.1219 48.0325 0.0000 175.6656 87 T 3.8737 8.0542 118.0549 66.2383 68.4418 176.0372 88 L 3.9340 8.1472 122.2382 58.1905 42.1163 178.7384 89 R 3.8722 7.9958 118.5028 59.4858 29.9856 178.0931 90 K 3.8478 8.3078 119.4510 59.6512 31.6148 178.8268 91 K 3.9720 8.2930 118.6766 59.4369 31.9201 179.2763 92 L 4.1348 8.3684 119.7328 57.8342 41.3930 179.5864 93 K 3.9796 8.1350 119.5790 59.1839 31.8808 178.7244 94 K 3.7312 7.6676 119.2935 58.7045 32.0809 177.3384 95 Y 4.7615 7.4266 113.6783 56.3914 38.5408 175.7840 96 G 3.9904 7.7301 107.5450 47.4378 0.0000 174.5526 97 M 4.7065 8.1051 115.0673 53.3025 32.3722 176.5440 98 N 4.3941 7.7729 120.2576 53.5613 36.8966 174.4915 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 8.29 3.88 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 2 F 7.12 4.89 0.00 3.12 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 3 E 8.84 4.30 0.00 2.04 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 2.35 2.36 0.00 4 Q 8.40 4.12 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 5 R 8.18 4.43 0.00 1.76 1.80 0.00 3.29 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 6 V 8.02 3.87 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 0.72 0.00 0.00 0.93 0.00 0.00 7 N 8.94 4.25 0.00 2.82 2.89 0.00 0.00 6.63 7.57 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 8 S 8.17 4.19 0.00 3.97 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 9 D 8.28 4.47 0.00 2.79 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 *10 V 7.05 3.99 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 0.64 0.00 0.00 0.92 0.00 0.00 11 L 8.02 4.82 0.00 1.54 1.59 0.89 0.58 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 12 T 8.35 5.15 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 1.23 0.00 0.00 13 V 8.30 4.55 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 0.78 0.00 0.00 0.92 0.00 0.00 14 S 8.69 4.57 0.00 3.77 3.84 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 0.00 0.00 0.00 15 T 8.66 4.70 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 1.20 0.00 0.00 16 V 8.35 4.64 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 0.83 0.00 0.00 0.93 0.00 0.00 17 N 8.52 4.95 0.00 2.81 2.94 0.00 0.00 6.46 7.69 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 18 S 8.75 4.05 0.00 3.99 4.09 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 19 Q 8.26 4.33 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 20 D 8.30 4.34 0.00 2.75 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 21 Q 7.44 4.33 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 22 V 8.48 3.95 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 0.87 0.00 0.00 0.93 0.00 0.00 23 T 8.49 4.62 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 1.21 0.00 0.00 24 Q 8.64 4.98 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.07 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 25 K 8.31 4.30 0.00 1.82 1.93 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 26 P 0.00 4.75 0.00 2.19 2.20 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 27 L 8.62 4.01 0.00 1.86 1.63 0.89 1.09 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 28 R 7.94 3.88 0.00 1.89 1.99 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 29 D 7.76 4.40 0.00 2.81 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 30 S 8.04 4.09 0.00 3.99 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 31 V 7.71 3.54 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 1.01 0.00 0.00 0.94 0.00 0.00 32 K 8.14 3.91 0.00 2.03 1.88 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 33 Q 8.15 3.95 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 34 A 8.12 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 35 L 7.78 3.78 0.00 1.91 1.58 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.31 4.27 0.00 2.12 2.32 0.00 1.36 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.51 7.81 37 N 8.20 4.52 0.00 3.08 3.26 0.00 0.00 6.56 7.02 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 38 Y 7.59 4.08 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.05 4.25 0.00 3.25 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 40 A 7.67 4.18 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 41 Q 7.49 4.07 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.43 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 42 L 7.30 4.17 0.00 1.80 1.59 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.82 4.82 0.00 2.80 2.80 0.00 0.00 6.94 7.65 0.00 0.00 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 G 8.22 4.56 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 0.00 0.00 0.00 45 Q 8.14 4.18 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 46 D 8.44 4.58 0.00 2.83 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 47 V 8.17 4.59 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 1.09 0.00 0.00 1.06 0.00 0.00 48 N 8.60 5.16 0.00 2.83 2.83 0.00 0.00 5.82 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 49 D 8.12 4.69 0.00 2.69 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 50 L 8.17 3.99 0.00 1.92 1.76 0.68 1.06 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 51 Y 8.00 3.82 0.00 3.17 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 52 E 8.39 4.05 0.00 2.23 2.19 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 2.43 2.48 0.00 53 L 7.96 3.87 0.00 1.75 1.73 0.82 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.36 3.34 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 0.76 0.00 0.00 55 L 7.88 3.72 0.00 1.66 1.81 0.92 1.27 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 56 A 8.21 4.27 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.58 3.79 0.00 1.93 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 0.00 2.22 2.27 0.00 58 V 7.71 3.81 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 0.91 0.00 0.00 0.83 0.00 0.00 59 E 8.64 3.87 0.00 1.91 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 2.34 2.49 0.00 60 Q 7.19 3.46 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 61 P 0.00 4.15 0.00 2.07 2.04 0.00 3.45 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 62 L 7.43 4.00 0.00 1.70 1.77 0.87 0.54 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 63 L 7.88 3.94 0.00 1.85 1.74 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.25 4.34 0.00 2.82 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 65 M 8.77 4.03 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 66 V 8.14 3.66 2.16 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 0.91 0.00 0.00 0.91 0.00 0.00 67 M 8.32 4.42 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.73 0.00 68 Q 8.11 4.01 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 69 Y 7.70 4.09 0.00 3.04 3.18 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 70 T 8.70 4.00 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 1.42 0.00 0.00 71 R 8.44 3.53 0.00 1.94 2.01 0.00 3.14 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 72 G 8.70 3.81 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 0.00 0.00 0.00 73 N 7.66 4.60 0.00 2.80 2.82 0.00 0.00 7.16 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 74 Q 8.46 4.03 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 75 T 7.97 3.88 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 76 R 7.97 3.95 0.00 1.97 2.02 0.00 3.23 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 77 A 8.12 4.02 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 78 A 8.22 4.00 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 79 L 7.54 3.94 0.00 1.84 1.76 0.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 80 M 7.97 4.24 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.91 0.00 81 M 8.06 4.26 0.00 2.03 2.17 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 2.54 0.00 82 G 7.99 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 83 I 7.18 4.40 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.93 0.00 0.00 84 N 8.30 4.48 0.00 2.82 2.73 0.00 0.00 6.50 7.65 0.00 0.00 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 R 8.67 3.98 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 86 G 7.89 3.58 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 0.00 87 T 8.05 3.87 4.43 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 1.23 0.00 0.00 88 L 8.15 3.93 0.00 1.76 1.86 0.95 1.22 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 89 R 8.00 3.87 0.00 2.00 2.13 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 90 K 8.31 3.85 0.00 1.83 2.08 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.47 7.81 91 K 8.29 3.97 0.00 2.06 2.00 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.70 7.81 92 L 8.37 4.13 0.00 1.87 1.76 0.95 0.73 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 93 K 8.14 3.98 0.00 1.98 1.84 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 94 K 7.67 3.73 0.00 1.53 1.38 0.00 1.58 0.00 0.00 1.15 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.52 1.14 7.81 95 Y 7.43 4.76 0.00 3.08 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 96 G 7.73 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 97 M 8.11 4.71 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.49 0.00 98 N 7.77 4.39 0.00 2.77 2.74 0.00 0.00 6.17 7.56 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 * Residues marked with a * may have inaccurate shift predictions.