NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 I 4.2214 8.0093 118.5523 59.8991 37.0339 174.7310 9 S 4.6952 8.0515 116.5232 54.8618 67.4366 172.9388 10 Y 4.3093 9.1201 124.1342 60.9151 38.6778 179.3932 11 A 3.9305 8.0772 120.8228 55.2735 18.5012 179.4200 12 A 3.9620 7.4031 117.1098 55.0535 18.7156 178.9177 13 Y 4.2124 9.1707 119.0959 61.0518 38.4924 178.2364 14 L 3.3706 7.3079 119.6845 57.7567 41.6568 179.1065 15 N 4.1940 7.7325 116.3442 56.7161 38.8256 177.1348 16 V 3.5825 7.6269 118.9238 65.3992 31.3681 176.8536 17 A 4.3956 7.1762 117.1016 52.1003 18.1626 177.7656 18 A 4.5577 7.8099 119.0264 51.9152 19.8541 177.3156 19 Q 4.2463 7.6403 116.8079 55.5188 31.0872 176.8823 20 A 4.1051 7.9145 121.9143 55.6912 19.2191 179.4920 21 I 3.8290 7.8083 115.0039 63.5261 35.7720 180.2654 22 R 4.0333 7.5027 121.2335 58.5574 29.4163 179.5690 23 S 4.4769 7.6813 116.5432 56.6540 62.4476 176.8710 *26 K 4.1969 8.1733 127.4101 53.7636 33.2192 175.1298 27 T 3.9062 8.3794 120.5285 65.0393 68.9101 176.7249 28 E 4.0617 8.1900 119.0792 58.8820 29.8595 177.5533 29 L 4.3409 7.2477 116.3206 54.6335 42.4795 176.8323 30 Q 4.2330 7.1942 120.7422 54.9122 27.9816 174.8255 31 T 3.9506 7.5121 114.6951 61.9379 68.3720 173.9518 32 A 3.9660 8.7931 127.3270 55.5226 18.2455 179.4902 33 S 4.6045 7.9761 106.8789 58.8149 63.3795 175.4171 34 V 3.9922 8.0251 122.3822 65.6236 31.5731 177.8428 35 L 3.9834 7.8655 117.5392 58.8586 40.4517 178.5730 36 N 4.4329 7.8036 116.1292 56.3396 38.3627 177.3964 37 R 3.9927 7.9342 117.7438 58.8916 30.1422 176.7408 38 S 4.5897 7.5625 116.1121 58.8886 62.7612 173.9453 39 Q 4.6259 7.7033 120.3364 54.5764 32.0755 178.6089 40 T 4.3315 7.8409 104.5477 61.5900 72.3833 173.8319 41 D 4.7502 8.5620 126.0852 52.7942 41.1271 176.2865 42 A 4.3316 7.2501 121.0195 50.0064 22.0012 176.8144 43 F 5.5855 8.2569 121.5366 55.8662 41.2925 174.7112 44 Y 4.7974 8.7847 122.4195 56.1712 40.0515 174.7646 45 T 4.8611 8.3907 118.6499 61.7616 71.9944 173.3022 46 Q 4.2250 9.0214 128.1626 55.7369 29.8561 174.3941 47 Y 4.6591 8.8533 125.3524 56.9993 39.3133 175.7030 48 K 4.4636 8.4639 128.7609 54.4477 33.6410 171.8615 49 N 4.3020 8.4517 120.7916 53.1692 36.1400 175.3010 *53 A 4.0820 7.3660 119.3397 51.9246 19.7955 174.8414 54 S 3.4539 8.0358 113.4025 57.2186 65.3387 173.8896 55 E 4.3113 7.5692 118.2578 54.1883 32.2636 170.5192 56 P 4.6360 0.0000 0.0000 64.3566 31.1703 175.1742 57 T 3.8397 8.3300 114.5056 62.3335 67.7629 172.7981 58 P 4.6227 0.0000 0.0000 63.1973 32.2312 176.0120 59 I 4.4275 7.6120 126.6394 59.0131 38.9912 172.3680 60 T 4.8433 8.7713 122.1297 61.1244 68.4208 174.7923 61 K 4.3743 8.8335 128.7845 54.2644 31.6734 174.4366 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 8 I 8.01 4.22 1.87 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 1.47 1.21 0.91 0.00 0.00 9 S 8.05 4.70 0.00 4.10 3.96 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 10 Y 9.12 4.31 0.00 3.07 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 11 A 8.08 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 12 A 7.40 3.96 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 13 Y 9.17 4.21 0.00 2.77 3.12 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 0.00 0.00 0.00 0.00 14 L 7.31 3.37 0.00 1.70 1.46 0.51 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.73 4.19 0.00 2.68 2.97 0.00 0.00 6.84 8.56 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 16 V 7.63 3.58 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 0.94 0.00 0.00 0.99 0.00 0.00 17 A 7.18 4.40 1.01 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 0.00 0.00 18 A 7.81 4.56 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 19 Q 7.64 4.25 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 20 A 7.91 4.11 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 21 I 7.81 3.83 1.87 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 1.27 0.73 0.91 0.00 0.00 22 R 7.50 4.03 0.00 2.02 1.87 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 23 S 7.68 4.48 0.00 3.56 3.70 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 *26 K 8.17 4.20 0.00 1.70 1.77 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 27 T 8.38 3.91 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 28 E 8.19 4.06 0.00 2.07 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 0.00 2.27 2.32 0.00 29 L 7.25 4.34 0.00 1.49 1.73 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.19 4.23 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 31 T 7.51 3.95 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 32 A 8.79 3.97 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 33 S 7.98 4.60 0.00 3.98 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 34 V 8.03 3.99 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.92 0.00 0.00 35 L 7.87 3.98 0.00 1.83 1.79 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.80 4.43 0.00 2.86 2.89 0.00 0.00 6.57 7.54 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 37 R 7.93 3.99 0.00 1.78 2.11 0.00 3.20 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 38 S 7.56 4.59 0.00 3.83 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 39 Q 7.70 4.63 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.62 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 40 T 7.84 4.33 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 41 D 8.56 4.75 0.00 2.45 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 42 A 7.25 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.26 5.59 0.00 2.94 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 44 Y 8.78 4.80 0.00 3.08 3.05 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 0.00 0.00 0.00 45 T 8.39 4.86 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 1.48 0.00 0.00 46 Q 9.02 4.22 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 Y 8.85 4.66 0.00 2.87 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 48 K 8.46 4.46 0.00 1.76 1.57 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 0.98 7.81 49 N 8.45 4.30 0.00 2.90 2.79 0.00 0.00 6.65 7.46 0.00 0.00 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 7.37 4.08 1.22 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 54 S 8.04 3.45 0.00 3.01 3.38 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 55 E 7.57 4.31 0.00 1.97 1.57 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 2.13 1.90 0.00 56 P 0.00 4.64 0.00 2.03 2.08 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 57 T 8.33 3.84 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 1.15 0.00 0.00 58 P 0.00 4.62 0.00 1.99 2.04 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 59 I 7.61 4.43 1.87 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 1.09 0.82 0.91 0.00 0.00 60 T 8.77 4.84 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 61 K 8.83 4.37 0.00 1.79 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.