NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4340 0.0000 0.0000 61.4733 33.2554 177.1698 3 Q 4.5239 7.5945 114.5889 51.4243 32.0622 174.7353 4 L 4.1567 8.6467 123.2608 55.9910 43.9035 177.1287 5 N 4.5021 8.9389 124.9291 55.0517 38.0981 174.7017 6 S 4.8781 7.3880 112.1776 56.2500 67.1327 177.0397 7 G 3.7503 9.5196 105.1712 49.9222 0.0000 174.4218 8 G 3.9178 9.0736 110.1532 45.0181 0.0000 171.7219 9 G 4.2976 7.7287 105.5406 45.5599 0.0000 170.6013 10 D 4.6201 7.9863 117.1798 52.2586 41.6999 175.3104 11 E 4.1230 8.8695 116.0643 58.9724 29.4069 177.2272 12 L 4.3611 8.1851 119.0620 54.3233 42.0969 175.2906 13 G 3.7301 8.2415 106.1401 43.6470 0.0000 173.2350 14 A 4.4893 8.1144 120.2247 51.7421 18.8548 177.4402 15 N 4.6055 8.9498 118.0046 53.1009 39.9227 174.8502 16 D 4.6993 8.5753 121.8825 54.5682 42.0064 175.7805 17 E 4.6947 8.4182 119.5102 54.8518 33.7424 174.7849 18 L 4.4654 8.3306 122.2346 54.0558 42.8760 176.2498 19 I 4.1781 8.0481 122.5247 59.7919 38.5104 176.9489 20 R 4.2520 7.9136 126.2184 54.6643 28.5792 174.8495 21 F 4.3509 8.0796 121.5933 57.9486 40.3757 177.3746 22 K 4.5937 8.3616 126.1571 53.2135 32.4025 173.8401 23 D 4.6860 7.7990 120.2635 52.6022 41.4975 175.4461 24 E 4.1413 8.4864 130.0757 56.2834 30.6655 176.6087 *40 D 4.6803 8.2920 118.7864 52.7863 42.0428 175.9593 41 L 4.6121 7.5263 116.5203 54.2483 42.1004 178.0799 42 A 4.0290 7.9159 123.1795 55.5770 18.2005 179.8228 43 D 4.3926 7.9693 118.1173 56.7739 41.0155 179.0347 44 V 3.5473 7.5738 118.3154 66.0603 31.6631 178.1721 45 K 4.0394 8.1231 118.5244 59.1800 31.3239 179.5500 46 S 4.0677 8.2285 114.6385 61.8418 62.8312 176.8346 47 S 4.1484 7.8049 118.4035 60.5550 62.5534 176.2773 48 L 4.0852 7.6410 122.3018 58.0226 41.9117 178.9876 49 V 3.9725 7.4552 112.9009 64.4737 32.0783 176.6126 50 N 4.5628 8.2324 119.0192 52.5080 37.5174 176.8572 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 4.43 0.00 2.11 2.03 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 1.84 1.59 0.00 3 Q 7.59 4.52 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 4 L 8.65 4.16 0.00 1.57 1.59 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.94 4.50 0.00 2.78 2.70 0.00 0.00 6.38 7.64 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 6 S 7.39 4.88 0.00 3.57 3.65 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 0.00 0.00 0.00 0.00 7 G 9.52 3.75 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 0.00 0.00 0.00 8 G 9.07 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 0.00 0.00 0.00 9 G 7.73 4.30 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 0.00 10 D 7.99 4.62 0.00 2.82 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 11 E 8.87 4.12 0.00 2.09 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 2.28 2.28 0.00 12 L 8.19 4.36 0.00 1.81 1.72 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.24 3.73 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 0.00 0.00 0.00 14 A 8.11 4.49 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 15 N 8.95 4.61 0.00 2.82 2.74 0.00 0.00 7.18 8.76 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 16 D 8.58 4.70 0.00 2.56 2.60 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 0.00 0.00 0.00 17 E 8.42 4.69 0.00 1.95 1.75 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 2.28 2.31 0.00 18 L 8.33 4.47 0.00 1.61 1.58 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.05 4.18 1.57 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 1.29 0.51 -0.12 0.00 0.00 20 R 7.91 4.25 0.00 1.70 1.84 0.00 3.17 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 21 F 8.08 4.35 0.00 3.02 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 22 K 8.36 4.59 0.00 1.71 1.55 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 0.99 7.81 23 D 7.80 4.69 0.00 2.66 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 24 E 8.49 4.14 0.00 1.98 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 2.29 2.31 0.00 *40 D 8.29 4.68 0.00 2.76 2.59 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 41 L 7.53 4.61 0.00 1.67 1.69 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.92 4.03 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 43 D 7.97 4.39 0.00 2.70 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 44 V 7.57 3.55 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 1.07 0.00 0.00 0.93 0.00 0.00 45 K 8.12 4.04 0.00 1.86 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.57 7.81 46 S 8.23 4.07 0.00 4.05 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 0.00 47 S 7.80 4.15 0.00 3.88 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 48 L 7.64 4.09 0.00 1.84 1.85 0.92 0.95 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 49 V 7.46 3.97 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 0.76 0.00 0.00 1.04 0.00 0.00 50 N 8.23 4.56 0.00 2.73 2.58 0.00 0.00 7.04 8.27 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 * Residues marked with a * may have inaccurate shift predictions.