NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2400 8.2601 123.5755 54.0916 19.6576 175.7105 5 A 4.3366 8.8509 121.5030 53.0126 20.7174 174.6349 6 D 4.4661 8.5325 118.8160 55.0949 40.5260 172.3423 7 T 4.4347 7.5211 106.8637 59.0714 70.4418 172.5268 8 P 4.3630 0.0000 0.0000 62.8785 31.8845 175.8412 9 T 4.4917 8.1721 115.5099 59.8622 69.0655 173.9738 10 A 4.2884 8.5752 131.8584 52.3457 19.1653 177.3271 11 C 4.8600 8.4144 118.8234 55.2108 44.2368 174.1164 12 C 4.6949 8.2742 120.3313 55.6297 41.0861 173.7050 13 F 4.5403 8.4603 121.1874 57.1072 40.5083 174.9424 14 S 4.3655 7.4082 113.3071 57.0423 65.6008 172.5720 15 Y 5.1536 7.8759 117.8272 55.9188 41.2699 175.6282 16 T 4.0803 8.5446 116.8946 62.1848 67.5480 174.2486 17 S 4.2669 8.4600 123.8730 60.1499 63.6495 174.3043 18 R 4.4238 7.3916 118.9358 53.0135 31.3732 175.8385 19 Q 2.5200 7.9869 120.5457 55.4779 29.1572 176.0024 20 I 3.6401 7.0810 126.7860 60.2867 37.8282 174.0601 21 P 3.8870 0.0000 0.0000 62.8622 31.8230 177.2484 22 Q 3.4112 8.4094 123.0194 58.7683 29.1696 176.7689 23 N 4.6047 7.8234 113.2241 53.0671 37.5540 175.4442 24 F 4.9013 7.8960 119.1368 58.9356 40.2474 176.3657 25 I 4.4088 7.6623 121.6743 61.3470 37.3341 175.3974 26 A 4.7341 8.8896 125.9919 53.1148 21.7081 174.9724 27 D 4.8108 8.0062 113.0031 54.7492 44.8600 173.5091 28 Y 5.4100 8.4146 116.1744 56.4631 40.4521 173.3951 29 F 4.5227 8.5230 114.7759 55.8279 42.0319 172.5020 30 E 4.9978 8.7342 119.0586 54.8670 30.8288 176.5366 31 T 4.2962 8.7043 114.8586 61.1735 70.0948 174.3804 32 S 4.2204 8.7842 117.2744 58.6691 62.8168 175.3413 33 S 4.3913 8.5120 119.8745 60.1849 63.1516 175.3431 34 Q 4.1291 8.0556 120.4616 58.7047 28.7365 176.3502 35 C 4.4338 7.6949 115.1137 56.8147 40.6641 174.2912 36 S 4.0764 8.6443 117.6172 60.1622 63.1219 174.4623 37 K 4.6739 7.4482 118.7831 53.5202 34.4653 174.1205 38 P 4.4794 0.0000 0.0000 62.9252 32.2608 176.0445 39 G 4.2191 7.9537 105.4477 45.4050 0.0000 172.0606 40 V 4.6314 8.4207 122.1874 60.6280 34.8544 174.3036 41 I 4.5970 7.8151 128.3214 59.5540 39.2177 174.8384 42 F 5.1811 8.9903 126.8331 56.7388 40.9373 174.5987 43 L 5.1503 9.2987 124.9515 54.0264 43.8996 175.9363 44 T 4.9331 8.8532 121.3547 60.8782 69.0324 175.5735 45 K 4.1081 8.7520 123.5361 58.5033 32.1544 178.4708 46 R 4.3575 7.8670 116.3363 55.6562 30.1349 176.4594 47 S 3.9739 8.2186 112.4116 59.3729 60.8898 171.3723 48 R 4.2732 7.7645 119.2438 56.3910 31.2731 175.2921 49 Q 5.1343 8.6629 121.0202 54.2704 30.9817 175.0583 50 V 4.5208 8.5661 123.9375 61.0939 34.6695 173.8553 51 C 5.0280 8.9535 125.3680 56.9620 42.5356 172.4910 52 A 5.2016 9.4651 124.6569 49.9278 23.2284 174.8274 53 D 3.4218 8.0738 119.1781 52.6343 41.1146 175.5750 54 P 4.0323 0.0000 0.0000 64.9950 31.4110 177.5360 55 S 4.2961 7.5848 110.8990 58.9361 63.9138 174.8992 56 E 4.0842 7.6507 122.6364 55.9296 30.9475 177.5059 57 E 4.1140 8.6327 122.9550 59.1198 29.5726 179.6523 58 W 4.1588 7.9706 116.4991 59.6343 27.9561 178.7101 59 V 2.9523 6.3620 111.8239 63.6363 31.0033 178.0258 60 Q 3.9975 7.3657 116.8008 58.5971 28.7645 178.3831 61 K 4.1594 8.2006 120.6464 59.7672 32.2269 179.4289 62 Y 4.3607 8.3177 115.8292 58.6919 38.4169 178.5518 *64 S 4.3432 8.0280 115.5398 58.5307 64.1158 175.4242 65 D 4.4284 8.1557 118.4811 57.4086 40.8245 178.2251 66 L 4.2665 7.7831 118.0435 57.7273 41.8615 178.4168 67 E 4.1771 8.2998 116.6998 58.8304 30.0980 177.5439 68 L 4.5501 7.6061 120.5174 52.6270 41.1069 176.7277 69 S 4.3876 7.5896 117.0957 59.2779 62.2647 176.9189 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 4 A 8.26 4.24 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 5 A 8.85 4.34 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 6 D 8.53 4.47 0.00 2.80 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 7 T 7.52 4.43 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 1.23 0.00 0.00 8 P 0.00 4.36 0.00 2.08 2.05 0.00 3.64 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 2.04 2.08 0.00 9 T 8.17 4.49 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 10 A 8.58 4.29 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.41 4.86 0.00 2.77 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 12 C 8.27 4.69 0.00 2.87 2.84 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 13 F 8.46 4.54 0.00 2.96 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 14 S 7.41 4.37 0.00 3.89 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 15 Y 7.88 5.15 0.00 2.99 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 0.00 0.00 0.00 0.00 16 T 8.54 4.08 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 S 8.46 4.27 0.00 4.05 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 18 R 7.39 4.42 0.00 1.83 1.92 0.00 3.03 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 19 Q 7.99 2.52 0.00 1.18 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 1.25 1.16 0.00 20 I 7.08 3.64 1.78 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 1.00 0.00 0.00 21 P 0.00 3.89 0.00 0.49 1.33 0.00 3.25 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 1.31 1.69 0.00 22 Q 8.41 3.41 0.00 1.55 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.15 0.00 0.00 0.00 0.00 0.00 1.97 1.16 0.00 23 N 7.82 4.60 0.00 2.90 2.84 0.00 0.00 5.95 7.43 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 24 F 7.90 4.90 0.00 3.17 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 25 I 7.66 4.41 1.92 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 1.28 0.66 1.13 0.00 0.00 26 A 8.89 4.73 1.37 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 0.00 0.00 0.00 27 D 8.01 4.81 0.00 2.80 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 28 Y 8.41 5.41 0.00 2.66 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 29 F 8.52 4.52 0.00 2.96 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 30 E 8.73 5.00 0.00 1.94 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 2.34 2.50 0.00 31 T 8.70 4.30 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 1.05 0.00 0.00 32 S 8.78 4.22 0.00 3.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.39 0.00 4.02 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 34 Q 8.06 4.13 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 35 C 7.69 4.43 0.00 3.12 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 36 S 8.64 4.08 0.00 4.04 4.08 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 0.00 0.00 0.00 0.00 37 K 7.45 4.67 0.00 1.72 1.77 0.00 1.53 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.42 7.81 38 P 0.00 4.48 0.00 1.99 1.94 0.00 3.81 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 2.02 2.07 0.00 39 G 7.95 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 40 V 8.42 4.63 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.67 0.00 0.00 41 I 7.82 4.60 0.70 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.34 0.79 0.00 0.00 42 F 8.99 5.18 0.00 3.17 3.08 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 0.00 0.00 0.00 0.00 43 L 9.30 5.15 0.00 1.87 1.76 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.85 4.93 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 1.32 0.00 0.00 45 K 8.75 4.11 0.00 1.78 1.84 0.00 1.99 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.61 7.81 46 R 7.87 4.36 0.00 1.76 1.91 0.00 3.19 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 47 S 8.22 3.97 0.00 4.05 4.02 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 48 R 7.76 4.27 0.00 1.82 1.91 0.00 3.13 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 49 Q 8.66 5.13 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 50 V 8.57 4.52 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 1.24 0.00 0.00 1.07 0.00 0.00 51 C 8.95 5.03 0.00 2.99 3.21 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 52 A 9.47 5.20 1.21 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 0.00 0.00 53 D 8.07 3.42 0.00 2.00 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 0.00 0.00 0.00 54 P 0.00 4.03 0.00 1.91 1.94 0.00 3.32 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 55 S 7.58 4.30 0.00 3.90 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 56 E 7.65 4.08 0.00 1.54 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 57 E 8.63 4.11 0.00 2.02 1.99 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 2.36 2.33 0.00 58 W 7.97 4.16 0.00 3.36 3.19 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 59 V 6.36 2.95 1.55 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 -1.03 0.00 0.00 0.55 0.00 0.00 60 Q 7.37 4.00 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 61 K 8.20 4.16 0.00 2.02 2.18 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.33 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.56 7.81 62 Y 8.32 4.36 0.00 3.15 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 *64 S 8.03 4.34 0.00 3.88 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 65 D 8.16 4.43 0.00 2.80 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 66 L 7.78 4.27 0.00 1.79 1.95 1.30 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.30 4.18 0.00 2.03 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 0.00 2.56 2.43 0.00 68 L 7.61 4.55 0.00 1.65 1.66 0.94 0.73 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 69 S 7.59 4.39 0.00 3.93 3.78 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 * Residues marked with a * may have inaccurate shift predictions.