#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbs s THR 389 N 0.00 0.00 0.19 6.66 -4.23 -1.26 -4.41 115.64 112.59 2bbs s THR 389 Ca 0.00 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 58.70 2bbs s THR 389 Cb 0.00 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.33 2bbs s THR 389 CO 0.00 0.00 -0.16 0.28 -0.54 0.00 0.00 174.62 174.20 2bbs s THR 390 N -3.94 1.78 0.43 3.99 -1.32 -1.18 -4.98 115.64 110.42 2bbs s THR 390 Ca 0.36 -2.13 -0.10 0.00 -1.21 0.00 0.00 61.69 58.62 2bbs s THR 390 Cb 0.05 -1.98 -0.06 0.00 -1.51 0.00 0.00 72.50 69.00 2bbs s THR 390 CO 0.15 -0.51 0.79 -1.61 -2.21 0.00 0.00 174.62 171.23 2bbs s GLU 391 N -3.38 3.73 -0.07 7.08 2.02 -1.26 -3.97 118.70 122.84 2bbs s GLU 391 Ca 0.20 0.43 0.01 0.00 0.02 0.00 0.00 54.97 55.64 2bbs s GLU 391 Cb -0.02 -2.37 0.02 0.00 0.10 0.00 0.00 34.13 31.85 2bbs s GLU 391 CO 0.07 -0.10 -0.10 0.08 0.02 0.00 0.00 175.26 175.24 2bbs s VAL 392 N -2.49 0.99 -0.06 2.63 1.01 -0.82 -4.20 120.40 117.47 2bbs s VAL 392 Ca 0.51 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2bbs s VAL 392 Cb -0.10 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2bbs s VAL 392 CO 0.35 0.33 -0.07 -0.69 0.00 0.00 0.00 175.10 175.03 2bbs s VAL 393 N 0.96 0.73 -0.11 2.92 1.01 -0.39 -0.89 120.40 124.63 2bbs s VAL 393 Ca -0.09 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2bbs s VAL 393 Cb -0.15 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.52 2bbs s VAL 393 CO 0.00 0.27 -0.19 -0.04 0.00 0.00 0.00 175.10 175.14 2bbs s MET 394 N 0.97 2.61 -0.15 2.72 -1.94 -0.10 -0.89 119.30 122.51 2bbs s MET 394 Ca -0.10 -0.72 0.01 0.00 -1.71 0.00 0.00 55.69 53.17 2bbs s MET 394 Cb -0.14 -2.09 0.02 0.00 2.01 0.00 0.00 34.83 34.63 2bbs s MET 394 CO 0.00 0.04 -0.16 -1.21 -0.01 0.00 0.00 175.02 173.68 2bbs s GLU 395 N 0.70 2.50 -1.39 2.03 2.02 -0.39 -1.63 118.70 122.53 2bbs s GLU 395 Ca -0.12 -0.64 -0.07 0.00 0.02 0.00 0.00 54.97 54.16 2bbs s GLU 395 Cb -0.16 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 31.84 2bbs s GLU 395 CO 0.02 -0.21 0.36 0.09 0.02 0.00 0.00 175.26 175.54 2bbs n ASN 396 N 4.68 -0.99 -4.73 -0.19 4.13 -0.75 -1.60 115.26 115.81 2bbs n ASN 396 Ca -0.18 -1.13 -0.38 0.00 1.68 0.00 0.00 54.58 54.56 2bbs n ASN 396 Cb 0.50 -2.44 -0.06 0.00 -1.54 0.00 0.00 39.78 36.24 2bbs n ASN 396 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2bbs s VAL 397 N -3.98 5.18 -0.02 2.41 1.01 -0.72 -3.34 120.40 120.94 2bbs s VAL 397 Ca 0.12 0.95 0.05 0.00 0.00 0.00 0.00 61.98 63.11 2bbs s VAL 397 Cb -0.06 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2bbs s VAL 397 CO 0.93 0.34 -0.18 -0.89 0.00 0.00 0.00 175.10 175.30 2bbs s THR 398 N 0.54 1.42 -0.00 3.92 2.01 -0.95 -0.85 115.64 121.73 2bbs s THR 398 Ca 0.26 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 2bbs s THR 398 Cb -0.15 -1.20 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 2bbs s THR 398 CO 0.10 0.41 0.10 0.00 -0.69 0.00 0.00 174.62 174.54 2bbs s ALA 399 N -0.27 -0.22 -0.05 7.40 0.00 -0.05 0.36 121.76 128.94 2bbs s ALA 399 Ca 0.03 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 51.90 2bbs s ALA 399 Cb -0.08 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2bbs s ALA 399 CO 0.00 -0.17 -0.25 -0.06 0.00 0.00 0.00 175.76 175.28 2bbs s PHE 400 N -1.16 2.34 0.18 0.00 0.08 -1.26 -1.36 117.98 116.80 2bbs s PHE 400 Ca -0.13 -0.62 -0.04 0.00 0.12 0.00 0.00 56.93 56.26 2bbs s PHE 400 Cb -0.07 -1.53 0.09 0.00 -0.57 0.00 0.00 43.02 40.94 2bbs s PHE 400 CO 0.01 -0.16 1.50 -1.49 -0.10 0.00 0.00 175.22 174.97 2bbs h TRP 401 N 5.91 0.77 -2.27 0.36 4.06 -1.93 -3.41 115.95 119.44 2bbs h TRP 401 Ca -0.35 -0.27 -0.53 0.00 2.06 0.00 0.00 58.89 59.81 2bbs h TRP 401 Cb 1.16 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 29.14 2bbs h TRP 401 CO 0.42 1.01 1.33 -1.21 -3.56 0.00 0.00 178.44 176.43 2bbs s GLU 402 N -4.05 2.90 0.34 0.49 0.41 -1.26 -4.88 118.70 112.66 2bbs s GLU 402 Ca -0.08 0.98 0.03 0.00 -0.41 0.00 0.00 54.97 55.49 2bbs s GLU 402 Cb 0.11 -4.31 0.62 0.00 -1.78 0.00 0.00 34.13 28.77 2bbs s GLU 402 CO 0.85 -2.39 1.94 0.93 -0.49 0.00 0.00 175.26 176.10 2bbs h GLU 403 N 14.29 0.68 -0.54 1.61 5.08 -2.00 -1.88 114.58 131.82 2bbs h GLU 403 Ca -0.29 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.05 2bbs h GLU 403 Cb 1.17 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 2bbs h GLU 403 CO 1.14 0.55 0.24 0.78 -1.00 0.00 0.00 179.01 180.72 2bbs h GLY 404 N 0.81 0.75 1.44 -3.84 0.00 -1.95 -1.69 103.07 98.59 2bbs h GLY 404 Ca 0.17 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 2bbs h GLY 404 CO -0.02 0.05 -0.25 0.74 0.00 0.00 0.00 176.54 177.06 2bbs h PHE 405 N 0.45 0.74 -0.72 5.60 -1.00 -1.76 -2.29 116.94 117.95 2bbs h PHE 405 Ca 0.25 -0.17 0.01 0.00 2.81 0.00 0.00 57.97 60.87 2bbs h PHE 405 Cb 0.23 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.58 2bbs h PHE 405 CO -0.13 0.84 0.48 0.78 -1.61 0.00 0.00 178.31 178.67 2bbs h GLY 406 N 1.00 1.01 0.96 -1.45 0.00 -1.08 0.30 103.07 103.81 2bbs h GLY 406 Ca 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2bbs h GLY 406 CO 0.06 0.37 0.20 0.83 0.00 0.00 0.00 176.54 178.00 2bbs h GLU 407 N 0.98 0.50 -0.29 4.80 3.07 -1.14 -0.32 114.58 122.18 2bbs h GLU 407 Ca 0.26 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2bbs h GLU 407 Cb -0.11 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 2bbs h GLU 407 CO -0.06 0.41 0.15 -0.07 -1.40 0.00 0.00 179.01 178.05 2bbs h LEU 408 N 0.46 0.38 -0.51 1.33 3.38 -0.91 0.57 115.31 120.00 2bbs h LEU 408 Ca 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2bbs h LEU 408 Cb 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2bbs h LEU 408 CO -0.02 0.38 0.20 0.15 0.09 0.00 0.00 178.44 179.24 2bbs h PHE 409 N 0.35 0.79 0.44 1.13 3.57 -0.87 -0.32 116.94 122.03 2bbs h PHE 409 Ca 0.10 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2bbs h PHE 409 Cb 0.09 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 2bbs h PHE 409 CO -0.02 0.66 -0.24 1.49 -2.23 0.00 0.00 178.31 177.96 2bbs h GLU 410 N 0.69 -0.61 -0.93 1.11 4.81 -0.74 -2.45 114.58 116.46 2bbs h GLU 410 Ca 0.17 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.60 2bbs h GLU 410 Cb 0.21 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.63 2bbs h GLU 410 CO -0.01 -0.41 0.53 -0.22 -0.73 0.00 0.00 179.01 178.17 2bbs h LYS 411 N -0.64 0.72 -1.95 1.92 3.64 -0.80 -3.17 116.57 116.30 2bbs h LYS 411 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2bbs h LYS 411 Cb 0.51 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2bbs h LYS 411 CO 0.07 0.48 0.00 0.00 -2.27 0.00 0.00 179.45 177.72 2bbs n ALA 412 N -2.38 1.67 0.00 5.00 0.00 -0.14 -5.10 120.51 119.57 2bbs n ALA 412 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2bbs n ALA 412 Cb 0.46 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2bbs n ALA 412 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bbs n LYS 413 N 1.42 0.00 0.00 0.00 4.76 -1.20 -5.04 118.16 118.09 2bbs n LYS 413 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2bbs n LYS 413 Cb 0.05 -3.02 0.00 0.00 -1.84 0.00 0.00 35.03 30.22 2bbs n LYS 413 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bbs n GLY 437 N -1.92 0.00 3.62 0.72 0.00 -1.26 -4.91 105.19 101.44 2bbs n GLY 437 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2bbs n GLY 437 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbs s THR 438 N 0.00 4.07 0.48 2.61 -4.23 -1.26 -5.10 115.64 112.21 2bbs s THR 438 Ca 0.00 -0.33 -0.22 0.00 -1.18 0.00 0.00 61.69 59.96 2bbs s THR 438 Cb 0.00 -2.71 -0.07 0.00 1.34 0.00 0.00 72.50 71.06 2bbs s THR 438 CO 0.00 0.58 1.18 -2.16 -0.54 0.00 0.00 174.62 173.68 2bbs s PRO 439 N -0.61 3.64 0.36 3.99 0.04 -1.26 -4.91 135.00 136.24 2bbs s PRO 439 Ca 0.10 1.79 0.15 0.00 0.04 0.00 0.00 61.00 63.08 2bbs s PRO 439 Cb -0.12 -2.33 0.67 0.00 0.04 0.00 0.00 34.50 32.77 2bbs s PRO 439 CO 0.02 -0.66 1.76 -0.24 0.04 0.00 0.00 177.00 177.92 2bbs h VAL 440 N 1.73 1.12 -3.73 -0.36 3.04 -1.59 -3.44 116.25 113.01 2bbs h VAL 440 Ca -0.50 -1.52 -0.24 0.00 -1.01 0.00 0.00 66.70 63.43 2bbs h VAL 440 Cb 1.25 1.86 -0.28 0.00 -2.01 0.00 0.00 31.29 32.11 2bbs h VAL 440 CO 0.59 0.41 -0.72 -0.76 -1.01 0.00 0.00 177.57 176.08 2bbs s LEU 441 N -7.57 1.96 -0.06 3.16 1.43 -1.17 -4.06 118.68 112.36 2bbs s LEU 441 Ca -0.01 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2bbs s LEU 441 Cb 0.13 -0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.35 2bbs s LEU 441 CO 0.71 -0.00 0.01 -0.75 0.23 0.00 0.00 176.35 176.54 2bbs s LYS 442 N 0.04 0.54 -1.41 1.70 2.20 0.56 -0.87 119.74 122.49 2bbs s LYS 442 Ca -0.00 0.12 -0.06 0.00 -0.36 0.00 0.00 55.97 55.68 2bbs s LYS 442 Cb -0.01 -0.90 0.04 0.00 -1.51 0.00 0.00 37.83 35.45 2bbs s LYS 442 CO -0.00 -0.29 0.79 -0.25 -0.36 0.00 0.00 175.35 175.24 2bbs n ASP 443 N 5.06 -2.52 -4.74 1.43 8.00 -0.52 -4.34 116.55 118.93 2bbs n ASP 443 Ca -0.08 -0.82 -0.40 0.00 0.71 0.00 0.00 54.79 54.19 2bbs n ASP 443 Cb 0.50 -3.89 -0.05 0.00 -0.02 0.00 0.00 41.12 37.67 2bbs n ASP 443 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2bbs s ILE 444 N -3.55 4.64 -0.03 0.53 -1.09 -0.03 -4.64 121.20 117.04 2bbs s ILE 444 Ca 0.27 1.82 -0.00 0.00 -2.23 0.00 0.00 60.65 60.50 2bbs s ILE 444 Cb -0.13 -4.21 0.03 0.00 -1.58 0.00 0.00 42.46 36.57 2bbs s ILE 444 CO 0.83 0.34 0.03 0.20 -1.23 0.00 0.00 174.94 175.11 2bbs s ASN 445 N 0.00 0.38 0.05 3.58 0.01 -1.26 -1.75 114.94 115.95 2bbs s ASN 445 Ca 0.42 0.04 -0.27 0.00 -0.71 0.00 0.00 52.86 52.34 2bbs s ASN 445 Cb -0.22 -0.11 0.08 0.00 0.41 0.00 0.00 41.25 41.42 2bbs s ASN 445 CO 0.26 -0.15 0.73 0.72 -1.51 0.00 0.00 177.10 177.14 2bbs s PHE 446 N 1.33 -0.49 -0.06 2.20 -0.12 -0.65 -4.97 117.98 115.22 2bbs s PHE 446 Ca -0.06 0.47 -0.01 0.00 -0.05 0.00 0.00 56.93 57.28 2bbs s PHE 446 Cb -0.13 0.52 0.03 0.00 -0.63 0.00 0.00 43.02 42.81 2bbs s PHE 446 CO -0.03 -0.68 0.02 0.21 -0.05 0.00 0.00 175.22 174.69 2bbs s LYS 447 N -2.87 0.36 -0.12 1.99 2.20 -1.26 -0.92 119.74 119.12 2bbs s LYS 447 Ca -0.00 0.19 -0.00 0.00 -0.36 0.00 0.00 55.97 55.79 2bbs s LYS 447 Cb -0.01 -0.77 -0.02 0.00 -1.51 0.00 0.00 37.83 35.52 2bbs s LYS 447 CO -0.06 -0.29 -0.11 -1.50 -0.36 0.00 0.00 175.35 173.03 2bbs s ILE 448 N 1.93 3.29 0.65 5.43 1.10 -0.07 -5.01 121.20 128.53 2bbs s ILE 448 Ca 0.03 -0.59 -0.11 0.00 -0.51 0.00 0.00 60.65 59.47 2bbs s ILE 448 Cb -0.12 -2.38 -0.02 0.00 0.15 0.00 0.00 42.46 40.09 2bbs s ILE 448 CO -0.04 0.53 1.05 -1.61 -2.11 0.00 0.00 174.94 172.76 2bbs s GLU 449 N 0.11 3.30 0.12 3.50 0.41 -1.26 -1.94 118.70 122.94 2bbs s GLU 449 Ca -0.05 0.76 -0.35 0.00 -0.41 0.00 0.00 54.97 54.92 2bbs s GLU 449 Cb -0.14 -2.05 -0.16 0.00 -1.78 0.00 0.00 34.13 30.00 2bbs s GLU 449 CO 0.04 -0.79 1.28 0.54 -0.49 0.00 0.00 175.26 175.85 2bbs n ARG 450 N -2.89 1.16 -0.99 1.61 1.74 -1.25 -1.50 116.66 114.54 2bbs n ARG 450 Ca 0.06 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 2bbs n ARG 450 Cb 0.54 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 2bbs n ARG 450 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bbs n GLY 451 N 2.36 0.50 3.92 -0.13 0.00 -1.26 -4.89 105.19 105.70 2bbs n GLY 451 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2bbs n GLY 451 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bbs s GLN 452 N -0.29 3.56 -0.25 1.61 -0.21 -0.56 -4.38 119.66 119.14 2bbs s GLN 452 Ca 0.00 -0.19 -0.09 0.00 0.02 0.00 0.00 55.36 55.11 2bbs s GLN 452 Cb 0.00 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 2bbs s GLN 452 CO 0.00 0.24 0.12 -1.17 -2.12 0.00 0.00 175.29 172.36 2bbs s LEU 453 N -3.72 3.73 -0.25 2.90 2.96 -1.26 -1.42 118.68 121.62 2bbs s LEU 453 Ca 0.41 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 54.14 2bbs s LEU 453 Cb -0.10 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 2bbs s LEU 453 CO 0.32 -0.00 0.16 -0.22 -1.32 0.00 0.00 176.35 175.28 2bbs s LEU 454 N 1.45 4.01 -0.11 -0.68 2.96 0.02 -1.79 118.68 124.55 2bbs s LEU 454 Ca 0.06 0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.90 2bbs s LEU 454 Cb -0.15 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 2bbs s LEU 454 CO 0.06 0.02 0.25 0.00 -1.32 0.00 0.00 176.35 175.35 2bbs s ALA 455 N 1.35 3.74 -0.17 5.97 0.00 -0.48 -0.47 121.76 131.70 2bbs s ALA 455 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2bbs s ALA 455 Cb -0.15 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 20.79 2bbs s ALA 455 CO 0.07 0.40 -0.17 0.08 0.00 0.00 0.00 175.76 176.14 2bbs s VAL 456 N -0.50 1.84 0.41 0.00 1.01 0.72 -0.82 120.40 123.05 2bbs s VAL 456 Ca 0.17 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2bbs s VAL 456 Cb -0.13 -1.70 -0.07 0.00 0.00 0.00 0.00 36.38 34.48 2bbs s VAL 456 CO 0.06 0.47 0.02 0.00 0.00 0.00 0.00 175.10 175.65 2bbs s ALA 457 N 1.37 3.15 0.00 5.51 0.00 -0.32 -1.61 121.76 129.88 2bbs s ALA 457 Ca 0.04 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.06 2bbs s ALA 457 Cb -0.13 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2bbs s ALA 457 CO -0.12 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2bbs n GLY 458 N -0.96 1.93 3.77 0.00 0.00 -1.26 -1.01 105.19 107.66 2bbs n GLY 458 Ca -0.07 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 2bbs n GLY 458 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bbs s SER 459 N 0.00 4.07 0.19 1.61 1.04 -1.14 -4.79 113.70 114.68 2bbs s SER 459 Ca 0.00 1.40 -0.33 0.00 0.48 0.00 0.00 55.95 57.50 2bbs s SER 459 Cb 0.00 -2.11 -0.13 0.00 0.10 0.00 0.00 66.02 63.87 2bbs s SER 459 CO 0.00 -2.25 1.56 0.41 0.98 0.00 0.00 173.24 173.94 2bbs n THR 460 N -3.62 0.25 -1.00 2.02 -1.04 -1.26 -1.98 114.28 107.64 2bbs n THR 460 Ca 0.07 -0.06 -0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2bbs n THR 460 Cb 0.56 -1.60 -0.00 0.00 -1.82 0.00 0.00 70.33 67.47 2bbs n THR 460 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bbs n GLY 461 N 3.14 0.41 0.17 3.41 0.00 -1.26 -4.91 105.19 106.16 2bbs n GLY 461 Ca 0.15 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2bbs n GLY 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bbs h ALA 462 N 0.00 1.00 0.00 4.61 0.00 -1.74 -3.43 119.26 119.70 2bbs h ALA 462 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bbs h ALA 462 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2bbs h ALA 462 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2bbs n GLY 463 N 0.31 1.49 0.14 0.00 0.00 -1.26 -1.18 105.19 104.69 2bbs n GLY 463 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2bbs n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bbs h LYS 464 N 0.42 0.40 -0.28 1.61 1.57 -1.90 0.69 116.57 119.08 2bbs h LYS 464 Ca 0.00 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.50 2bbs h LYS 464 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2bbs h LYS 464 CO 0.00 0.50 -0.52 1.15 -0.57 0.00 0.00 179.45 180.01 2bbs h THR 465 N 0.22 1.28 -0.87 -0.16 2.02 -2.00 -3.15 112.91 110.25 2bbs h THR 465 Ca 0.08 -1.71 0.07 0.00 0.77 0.00 0.00 66.41 65.62 2bbs h THR 465 Cb 0.29 1.66 -0.07 0.00 -1.74 0.00 0.00 68.15 68.29 2bbs h THR 465 CO 0.00 0.56 0.54 0.28 0.37 0.00 0.00 175.52 177.26 2bbs h SER 466 N 0.62 0.83 -0.53 4.18 0.02 -1.95 -0.68 113.55 116.03 2bbs h SER 466 Ca 0.01 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 2bbs h SER 466 Cb 1.13 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 63.44 2bbs h SER 466 CO 0.12 0.51 0.02 0.25 -1.14 0.00 0.00 176.83 176.59 2bbs h LEU 467 N 0.95 -0.18 -0.57 5.07 5.85 -0.85 0.12 115.31 125.71 2bbs h LEU 467 Ca 0.39 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.22 2bbs h LEU 467 Cb 0.23 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2bbs h LEU 467 CO -0.19 -0.06 0.30 -0.07 -0.34 0.00 0.00 178.44 178.08 2bbs h LEU 468 N 0.14 0.72 -1.83 2.25 4.07 -1.24 -2.51 115.31 116.91 2bbs h LEU 468 Ca 0.27 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.13 2bbs h LEU 468 Cb 0.41 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2bbs h LEU 468 CO -0.43 0.61 0.05 0.24 -1.08 0.00 0.00 178.44 177.83 2bbs h MET 469 N 0.76 0.16 -0.36 1.13 2.86 -0.63 -1.44 114.93 117.41 2bbs h MET 469 Ca 0.20 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2bbs h MET 469 Cb 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2bbs h MET 469 CO -0.03 0.13 -0.07 0.52 1.06 0.00 0.00 176.91 178.52 2bbs h MET 470 N 0.16 0.68 -0.67 1.72 2.86 -0.57 0.54 114.93 119.65 2bbs h MET 470 Ca 0.04 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 2bbs h MET 470 Cb 0.03 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 2bbs h MET 470 CO -0.01 0.83 0.24 0.82 1.06 0.00 0.00 176.91 179.85 2bbs h ILE 471 N 0.48 1.24 0.00 -1.22 2.04 -1.07 -1.65 117.51 117.33 2bbs h ILE 471 Ca 0.09 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2bbs h ILE 471 Cb 0.57 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2bbs h ILE 471 CO 0.03 0.32 0.00 0.23 0.00 0.00 0.00 178.15 178.73 2bbs n MET 472 N -4.28 0.88 -0.99 2.37 2.81 -0.59 -4.91 117.12 112.41 2bbs n MET 472 Ca 0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2bbs n MET 472 Cb 0.20 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2bbs n MET 472 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bbs n GLY 473 N 0.74 0.62 0.14 3.03 0.00 -0.62 -4.89 105.19 104.20 2bbs n GLY 473 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 2bbs n GLY 473 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bbs h GLU 474 N 1.53 0.00 -5.03 1.61 4.39 -1.13 -3.43 114.58 112.52 2bbs h GLU 474 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 2bbs h GLU 474 Cb 0.03 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 28.34 2bbs h GLU 474 CO 0.00 0.58 -0.86 -1.17 -1.16 0.00 0.00 179.01 176.40 2bbs s LEU 475 N -6.89 1.92 -0.05 1.33 2.96 -0.97 -4.96 118.68 112.02 2bbs s LEU 475 Ca 0.01 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2bbs s LEU 475 Cb 0.10 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 2bbs s LEU 475 CO 0.74 0.09 0.12 -1.61 -1.32 0.00 0.00 176.35 174.37 2bbs s GLU 476 N 0.60 3.28 0.52 1.98 2.02 -1.26 -4.20 118.70 121.63 2bbs s GLU 476 Ca -0.14 -0.31 -0.20 0.00 0.02 0.00 0.00 54.97 54.34 2bbs s GLU 476 Cb -0.17 -3.02 -0.07 0.00 0.10 0.00 0.00 34.13 30.97 2bbs s GLU 476 CO 0.04 0.71 1.08 -1.25 0.02 0.00 0.00 175.26 175.86 2bbs s PRO 477 N -1.45 3.57 -0.03 0.39 0.04 -1.26 -4.43 135.00 131.83 2bbs s PRO 477 Ca 0.20 1.49 0.21 0.00 0.04 0.00 0.00 61.00 62.94 2bbs s PRO 477 Cb -0.12 -2.05 -0.28 0.00 0.04 0.00 0.00 34.50 32.09 2bbs s PRO 477 CO 0.11 -0.64 0.49 0.43 0.04 0.00 0.00 177.00 177.42 2bbs n SER 478 N -1.14 0.13 -3.93 6.66 7.64 0.16 -4.95 113.62 118.19 2bbs n SER 478 Ca 0.10 0.05 -0.09 0.00 1.01 0.00 0.00 58.87 59.95 2bbs n SER 478 Cb 0.52 1.59 -0.09 0.00 -1.01 0.00 0.00 64.21 65.21 2bbs n SER 478 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2bbs s GLU 479 N -3.31 0.63 0.03 1.43 2.12 -1.13 -4.18 118.70 114.29 2bbs s GLU 479 Ca -0.07 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.44 2bbs s GLU 479 Cb 0.12 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.76 2bbs s GLU 479 CO 0.88 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.85 2bbs n GLY 480 N 0.58 -3.67 3.13 -1.50 0.00 -1.21 -2.25 105.19 100.27 2bbs n GLY 480 Ca -0.18 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 2bbs n GLY 480 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bbs s LYS 481 N -0.83 2.39 -0.13 1.61 1.02 -0.63 -4.93 119.74 118.24 2bbs s LYS 481 Ca 0.00 -0.66 -0.02 0.00 0.02 0.00 0.00 55.97 55.31 2bbs s LYS 481 Cb 0.00 -1.87 -0.02 0.00 -0.52 0.00 0.00 37.83 35.42 2bbs s LYS 481 CO 0.00 0.12 -0.07 0.42 -0.92 0.00 0.00 175.35 174.90 2bbs s ILE 482 N 0.45 3.62 -0.09 2.17 1.01 -1.26 -1.26 121.20 125.84 2bbs s ILE 482 Ca -0.16 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2bbs s ILE 482 Cb -0.17 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.77 2bbs s ILE 482 CO 0.06 0.52 -0.12 -0.54 0.00 0.00 0.00 174.94 174.87 2bbs s LYS 483 N 0.16 1.79 0.02 2.79 1.02 -0.07 -4.99 119.74 120.47 2bbs s LYS 483 Ca -0.03 -0.41 -0.28 0.00 0.02 0.00 0.00 55.97 55.27 2bbs s LYS 483 Cb -0.14 -1.60 0.10 0.00 -0.52 0.00 0.00 37.83 35.67 2bbs s LYS 483 CO 0.03 -0.09 0.83 -3.38 -0.92 0.00 0.00 175.35 171.82 2bbs s HIS 484 N 1.08 -0.39 0.12 3.18 -3.43 -1.26 -1.26 115.29 113.33 2bbs s HIS 484 Ca -0.06 0.25 0.03 0.00 -0.80 0.00 0.00 55.06 54.48 2bbs s HIS 484 Cb -0.15 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.50 2bbs s HIS 484 CO -0.02 -0.60 -0.08 -1.54 -2.00 0.00 0.00 174.74 170.50 2bbs s SER 485 N -2.49 1.47 0.00 7.38 1.04 -1.26 -5.09 113.70 114.75 2bbs s SER 485 Ca 0.04 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.46 2bbs s SER 485 Cb -0.01 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2bbs s SER 485 CO -0.09 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2bbs n GLY 486 N -0.12 -2.09 3.85 7.32 0.00 -1.26 -4.62 105.19 108.27 2bbs n GLY 486 Ca -0.11 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2bbs n GLY 486 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bbs s ARG 487 N -0.14 3.98 -0.04 1.61 0.52 -1.26 -4.87 118.95 118.75 2bbs s ARG 487 Ca 0.00 0.63 0.06 0.00 -0.52 0.00 0.00 55.73 55.90 2bbs s ARG 487 Cb 0.00 -2.45 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 2bbs s ARG 487 CO 0.00 0.17 -0.22 0.42 0.02 0.00 0.00 175.30 175.70 2bbs s ILE 488 N -1.97 2.42 -0.07 1.52 1.01 -1.26 -0.09 121.20 122.76 2bbs s ILE 488 Ca 0.54 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2bbs s ILE 488 Cb -0.10 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 2bbs s ILE 488 CO 0.18 0.58 -0.18 -0.55 0.00 0.00 0.00 174.94 174.97 2bbs s SER 489 N -0.56 3.68 -0.10 3.58 0.15 -0.25 -4.96 113.70 115.25 2bbs s SER 489 Ca 0.08 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.42 2bbs s SER 489 Cb -0.11 -0.97 0.01 0.00 -1.71 0.00 0.00 66.02 63.25 2bbs s SER 489 CO 0.00 0.28 -0.16 0.12 1.20 0.00 0.00 173.24 174.68 2bbs s PHE 490 N -0.34 1.94 -0.28 3.44 5.36 -1.26 -0.35 117.98 126.49 2bbs s PHE 490 Ca 0.02 -0.85 -0.07 0.00 -0.96 0.00 0.00 56.93 55.08 2bbs s PHE 490 Cb -0.13 -1.38 0.00 0.00 -0.34 0.00 0.00 43.02 41.18 2bbs s PHE 490 CO 0.02 -0.42 0.07 0.00 -1.46 0.00 0.00 175.22 173.44 2bbs s SER 492 N 1.52 6.11 0.35 0.00 0.15 -1.26 -0.92 113.70 119.65 2bbs s SER 492 Ca 0.03 1.71 0.27 0.00 0.70 0.00 0.00 55.95 58.66 2bbs s SER 492 Cb -0.17 -2.52 1.13 0.00 -1.71 0.00 0.00 66.02 62.76 2bbs s SER 492 CO 0.02 -0.94 1.80 0.06 1.20 0.00 0.00 173.24 175.38 2bbs h GLN 493 N 0.57 0.00 -4.69 5.44 3.07 -1.76 -3.38 115.11 114.36 2bbs h GLN 493 Ca -0.47 0.00 -0.69 0.00 0.09 0.00 0.00 58.65 57.58 2bbs h GLN 493 Cb 1.21 0.00 -0.25 0.00 0.08 0.00 0.00 27.48 28.52 2bbs h GLN 493 CO 0.59 0.00 -0.56 -0.80 0.09 0.00 0.00 178.83 178.15 2bbs s ASN 494 N -4.65 5.51 0.54 0.06 -0.87 -1.26 -4.94 114.94 109.33 2bbs s ASN 494 Ca 0.03 -0.83 -0.22 0.00 -1.57 0.00 0.00 52.86 50.27 2bbs s ASN 494 Cb 0.09 -1.97 -0.05 0.00 -0.02 0.00 0.00 41.25 39.30 2bbs s ASN 494 CO 0.42 -0.29 1.32 -0.94 -2.57 0.00 0.00 177.10 175.05 2bbs s SER 495 N 1.54 5.34 -0.04 -1.22 1.04 -1.26 -5.04 113.70 114.06 2bbs s SER 495 Ca 0.02 2.68 -0.05 0.00 0.48 0.00 0.00 55.95 59.09 2bbs s SER 495 Cb -0.18 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.32 2bbs s SER 495 CO 0.05 -1.51 0.12 -1.66 0.98 0.00 0.00 173.24 171.22 2bbs s TRP 496 N -1.35 -0.12 -0.09 5.02 1.48 -1.26 -5.05 118.94 117.57 2bbs s TRP 496 Ca 0.71 0.29 0.03 0.00 -1.06 0.00 0.00 56.10 56.08 2bbs s TRP 496 Cb -0.38 0.04 0.01 0.00 -1.16 0.00 0.00 33.47 31.97 2bbs s TRP 496 CO 0.45 -0.09 -0.19 0.42 -4.06 0.00 0.00 176.95 173.48 2bbs s ILE 497 N -0.07 1.72 0.07 0.66 -1.09 -1.26 -4.75 121.20 116.48 2bbs s ILE 497 Ca -0.01 -0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 57.47 2bbs s ILE 497 Cb -0.02 -1.51 -0.06 0.00 -1.58 0.00 0.00 42.46 39.30 2bbs s ILE 497 CO 0.00 0.48 0.43 0.00 -1.23 0.00 0.00 174.94 174.63 2bbs s MET 498 N 0.52 3.85 -0.03 2.79 0.23 -1.26 -5.02 119.30 120.38 2bbs s MET 498 Ca -0.16 0.31 -0.33 0.00 -1.03 0.00 0.00 55.69 54.48 2bbs s MET 498 Cb -0.17 -3.05 -0.11 0.00 -1.53 0.00 0.00 34.83 29.97 2bbs s MET 498 CO 0.06 0.58 1.88 -2.30 -2.03 0.00 0.00 175.02 173.21 2bbs n PRO 499 N 1.14 2.40 -2.85 3.16 -0.02 -1.26 -4.73 135.00 132.83 2bbs n PRO 499 Ca -0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2bbs n PRO 499 Cb 0.52 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 2bbs n PRO 499 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bbs n GLY 500 N 4.37 -1.15 3.84 -1.23 0.00 -1.11 -4.97 105.19 104.95 2bbs n GLY 500 Ca 0.21 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2bbs n GLY 500 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbs s THR 501 N -2.31 3.66 0.15 2.61 -4.23 -1.26 0.01 115.64 114.27 2bbs s THR 501 Ca 0.00 0.54 -0.16 0.00 -1.18 0.00 0.00 61.69 60.88 2bbs s THR 501 Cb 0.00 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.45 2bbs s THR 501 CO 0.00 -0.70 1.76 0.40 -0.54 0.00 0.00 174.62 175.54 2bbs h ILE 502 N -0.75 0.95 -0.03 2.99 2.04 -0.99 -1.75 117.51 119.97 2bbs h ILE 502 Ca -0.45 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.32 2bbs h ILE 502 Cb 1.24 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2bbs h ILE 502 CO 0.61 0.06 -0.15 0.50 0.00 0.00 0.00 178.15 179.16 2bbs h LYS 503 N 0.32 -0.23 -0.91 2.37 3.64 -1.52 -2.70 116.57 117.54 2bbs h LYS 503 Ca 0.15 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.63 2bbs h LYS 503 Cb 0.09 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 2bbs h LYS 503 CO -0.13 -0.16 0.56 0.93 -2.27 0.00 0.00 179.45 178.39 2bbs h GLU 504 N -0.24 0.95 0.00 1.90 5.08 -1.80 -0.51 114.58 119.96 2bbs h GLU 504 Ca 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2bbs h GLU 504 Cb 0.32 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2bbs h GLU 504 CO -0.17 0.63 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.53 2bbs h ASN 505 N 0.98 0.00 0.07 1.42 2.35 -1.01 0.10 115.58 119.49 2bbs h ASN 505 Ca 0.42 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.81 2bbs h ASN 505 Cb 0.27 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 2bbs h ASN 505 CO -0.21 0.04 -1.98 -0.38 -1.65 0.00 0.00 177.43 173.25 2bbs n ILE 506 N -4.27 1.66 0.71 2.81 5.41 -0.53 -4.56 119.36 120.59 2bbs n ILE 506 Ca -0.03 -0.49 0.10 0.00 1.00 0.00 0.00 62.75 63.33 2bbs n ILE 506 Cb 0.12 -1.75 -0.13 0.00 -0.71 0.00 0.00 39.64 37.17 2bbs n ILE 506 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 2bbs n ILE 507 N -3.70 0.00 0.00 1.39 -5.35 -0.31 -4.39 119.36 106.99 2bbs n ILE 507 Ca -0.36 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 2bbs n ILE 507 Cb 0.95 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.59 2bbs n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bbs n GLY 509 N 1.44 1.18 0.01 3.28 0.00 0.36 -2.57 105.19 108.88 2bbs n GLY 509 Ca 0.02 0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.55 2bbs n GLY 509 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bbs n VAL 510 N 0.00 0.03 -3.69 1.61 0.24 -1.26 -4.75 118.33 110.51 2bbs n VAL 510 Ca 0.00 -0.26 -0.37 0.00 -2.04 0.00 0.00 64.34 61.67 2bbs n VAL 510 Cb 0.00 0.20 -0.12 0.00 -1.47 0.00 0.00 33.84 32.46 2bbs n VAL 510 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2bbs s SER 511 N -3.29 5.60 -0.20 -1.34 0.15 -1.06 -5.07 113.70 108.48 2bbs s SER 511 Ca -0.04 -0.09 -0.06 0.00 0.70 0.00 0.00 55.95 56.46 2bbs s SER 511 Cb 0.07 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 2bbs s SER 511 CO 0.45 -0.03 0.03 -0.47 1.20 0.00 0.00 173.24 174.42 2bbs s TYR 512 N 1.60 3.09 -0.20 3.44 5.04 -1.26 -4.84 117.35 124.22 2bbs s TYR 512 Ca 0.07 -0.31 -0.03 0.00 -2.44 0.00 0.00 57.07 54.36 2bbs s TYR 512 Cb -0.15 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.11 2bbs s TYR 512 CO 0.07 -0.16 0.04 0.34 -1.34 0.00 0.00 175.55 174.51 2bbs s ASP 513 N 0.94 2.93 0.19 4.32 -1.08 -1.26 -5.05 116.67 117.67 2bbs s ASP 513 Ca 0.02 -0.85 -0.10 0.00 -0.52 0.00 0.00 52.55 51.11 2bbs s ASP 513 Cb -0.14 -0.58 0.10 0.00 -1.46 0.00 0.00 42.92 40.84 2bbs s ASP 513 CO 0.02 -0.32 1.71 1.05 0.52 0.00 0.00 175.17 178.16 2bbs h GLU 514 N 8.25 1.06 -0.22 4.34 4.11 -1.99 -0.96 114.58 129.18 2bbs h GLU 514 Ca -0.16 -0.24 -0.08 0.00 0.07 0.00 0.00 59.36 58.95 2bbs h GLU 514 Cb 1.12 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2bbs h GLU 514 CO 0.34 0.93 -0.18 1.88 0.07 0.00 0.00 179.01 182.05 2bbs h TYR 515 N 0.99 0.61 -0.50 2.06 0.99 -1.99 -1.37 116.97 117.75 2bbs h TYR 515 Ca 0.21 -0.17 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 2bbs h TYR 515 Cb 0.33 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 37.91 2bbs h TYR 515 CO 0.03 0.84 0.23 -0.09 -0.00 0.00 0.00 178.16 179.16 2bbs h ARG 516 N 0.20 0.73 -0.56 4.88 2.43 -1.98 -1.77 114.38 118.31 2bbs h ARG 516 Ca 0.04 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2bbs h ARG 516 Cb 0.72 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 2bbs h ARG 516 CO 0.05 0.63 0.27 -0.92 -1.51 0.00 0.00 179.97 178.49 2bbs h TYR 517 N 0.67 0.81 -0.50 2.20 3.20 -1.08 -1.59 116.97 120.67 2bbs h TYR 517 Ca 0.17 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 2bbs h TYR 517 Cb 0.15 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2bbs h TYR 517 CO -0.00 0.62 -0.06 0.00 -1.64 0.00 0.00 178.16 177.08 2bbs h ARG 518 N 0.76 0.89 -0.19 1.82 2.47 -1.11 -1.45 114.38 117.57 2bbs h ARG 518 Ca 0.19 -0.28 -0.15 0.00 -1.26 0.00 0.00 59.98 58.48 2bbs h ARG 518 Cb 0.11 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 2bbs h ARG 518 CO -0.02 0.92 -0.51 0.66 0.56 0.00 0.00 179.97 181.58 2bbs h SER 519 N 0.81 0.56 -0.20 7.04 4.64 -1.06 -2.50 113.55 122.84 2bbs h SER 519 Ca 0.14 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 61.11 2bbs h SER 519 Cb 0.56 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2bbs h SER 519 CO 0.03 0.97 -0.13 0.58 -0.87 0.00 0.00 176.83 177.42 2bbs h VAL 520 N 0.40 1.32 -0.83 0.95 2.07 -1.15 -0.27 116.25 118.74 2bbs h VAL 520 Ca 0.02 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.35 2bbs h VAL 520 Cb 1.03 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 2bbs h VAL 520 CO 0.09 0.37 0.53 0.16 0.02 0.00 0.00 177.57 178.74 2bbs h ILE 521 N 0.12 1.12 0.02 4.57 3.07 -1.27 -0.90 117.51 124.23 2bbs h ILE 521 Ca 0.04 -0.35 -0.00 0.00 1.55 0.00 0.00 64.86 66.10 2bbs h ILE 521 Cb 0.63 0.01 0.00 0.00 -0.27 0.00 0.00 36.82 37.19 2bbs h ILE 521 CO 0.03 0.19 -0.01 0.50 -1.05 0.00 0.00 178.15 177.81 2bbs h LYS 522 N 1.02 -0.03 -0.26 0.16 3.64 -1.45 0.37 116.57 120.02 2bbs h LYS 522 Ca 0.33 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.69 2bbs h LYS 522 Cb 0.03 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2bbs h LYS 522 CO -0.12 0.06 0.07 0.00 -2.27 0.00 0.00 179.45 177.19 2bbs h ALA 523 N 0.87 1.63 -0.52 5.00 0.00 -0.71 -1.84 119.26 123.68 2bbs h ALA 523 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2bbs h ALA 523 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2bbs h ALA 523 CO 0.00 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.54 2bbs n GLN 525 N 1.11 -6.61 0.00 0.00 6.02 -0.69 -4.91 117.38 112.29 2bbs n GLN 525 Ca 0.18 0.81 0.11 0.00 -0.01 0.00 0.00 57.00 58.10 2bbs n GLN 525 Cb 0.47 -5.78 0.07 0.00 1.02 0.00 0.00 30.24 26.02 2bbs n GLN 525 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2bbs n LEU 526 N -4.64 0.70 -0.01 1.08 4.77 0.12 -4.28 117.00 114.75 2bbs n LEU 526 Ca -0.02 -0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 55.67 2bbs n LEU 526 Cb 0.57 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 2bbs n LEU 526 CO 0.61 0.16 0.66 -0.33 -1.33 0.00 0.00 177.39 177.15 2bbs h GLU 527 N 0.00 -0.35 -0.09 3.23 5.08 -1.90 0.14 114.58 120.69 2bbs h GLU 527 Ca 0.00 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2bbs h GLU 527 Cb 0.54 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2bbs h GLU 527 CO 0.00 -0.23 -0.23 1.05 -1.00 0.00 0.00 179.01 178.60 2bbs h GLU 528 N -0.36 0.15 -0.23 2.33 9.09 -1.93 -0.02 114.58 123.60 2bbs h GLU 528 Ca 0.10 -0.04 -0.07 0.00 0.05 0.00 0.00 59.36 59.40 2bbs h GLU 528 Cb 0.52 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.60 2bbs h GLU 528 CO -0.35 0.38 -0.15 -0.44 0.05 0.00 0.00 179.01 178.50 2bbs h ASP 529 N 0.14 0.53 0.02 3.06 3.32 -1.63 -3.18 116.42 118.67 2bbs h ASP 529 Ca 0.02 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 2bbs h ASP 529 Cb 0.48 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2bbs h ASP 529 CO 0.03 0.84 -0.01 0.40 -1.72 0.00 0.00 179.24 178.79 2bbs h ILE 530 N 0.21 1.12 -0.06 0.35 2.04 -0.41 -3.20 117.51 117.55 2bbs h ILE 530 Ca 0.05 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2bbs h ILE 530 Cb 0.66 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2bbs h ILE 530 CO 0.04 0.11 0.06 0.77 0.00 0.00 0.00 178.15 179.14 2bbs h SER 531 N -0.22 0.00 -0.30 1.72 4.64 -1.08 -2.39 113.55 115.91 2bbs h SER 531 Ca -0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.40 2bbs h SER 531 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2bbs h SER 531 CO 0.01 0.00 0.25 0.11 -0.87 0.00 0.00 176.83 176.32 2bbs h LYS 532 N 0.00 0.00 -5.80 4.77 1.57 -1.54 -3.44 116.57 112.13 2bbs h LYS 532 Ca 0.03 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.17 2bbs h LYS 532 Cb 0.16 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2bbs h LYS 532 CO -0.00 0.00 -0.38 -0.06 -0.57 0.00 0.00 179.45 178.44 2bbs s PHE 533 N -4.87 3.64 0.18 -1.35 0.08 -0.90 -5.01 117.98 109.75 2bbs s PHE 533 Ca -0.05 0.68 -0.21 0.00 0.12 0.00 0.00 56.93 57.47 2bbs s PHE 533 Cb 0.17 -2.05 0.11 0.00 -0.57 0.00 0.00 43.02 40.68 2bbs s PHE 533 CO 0.64 0.69 1.59 0.00 -0.10 0.00 0.00 175.22 178.05 2bbs h ALA 534 N 4.71 -0.04 0.00 5.36 0.00 -1.88 -1.21 119.26 126.20 2bbs h ALA 534 Ca -0.53 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2bbs h ALA 534 Cb 1.22 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2bbs h ALA 534 CO 0.61 -0.66 0.00 0.39 0.00 0.00 0.00 179.25 179.58 2bbs n GLU 535 N -5.43 0.79 0.00 0.00 -0.58 -1.26 -5.00 120.64 109.16 2bbs n GLU 535 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2bbs n GLU 535 Cb 0.35 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2bbs n GLU 535 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2bbs n LYS 536 N -0.96 0.00 0.00 3.49 4.76 -0.46 -1.41 118.16 123.57 2bbs n LYS 536 Ca 0.18 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.73 2bbs n LYS 536 Cb 0.08 0.00 0.64 0.00 -1.84 0.00 0.00 35.03 33.91 2bbs n LYS 536 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2bbs n ASP 537 N 3.33 0.00 -0.37 4.39 3.85 -1.26 -2.31 116.55 124.18 2bbs n ASP 537 Ca 0.00 -0.33 0.10 0.00 -0.71 0.00 0.00 54.79 53.85 2bbs n ASP 537 Cb 0.00 -0.17 0.42 0.00 -1.35 0.00 0.00 41.12 40.02 2bbs n ASP 537 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2bbs n ASN 538 N -1.17 1.10 -4.71 -1.12 5.03 -0.50 -1.34 115.26 112.55 2bbs n ASN 538 Ca 0.14 -1.63 -0.42 0.00 0.87 0.00 0.00 54.58 53.54 2bbs n ASN 538 Cb 0.14 -0.07 -0.03 0.00 -1.02 0.00 0.00 39.78 38.80 2bbs n ASN 538 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2bbs s ILE 539 N -1.86 2.51 0.04 2.41 1.10 -0.98 -4.82 121.20 119.61 2bbs s ILE 539 Ca 0.30 0.30 -0.30 0.00 -0.51 0.00 0.00 60.65 60.44 2bbs s ILE 539 Cb 0.15 -3.19 -0.04 0.00 0.15 0.00 0.00 42.46 39.53 2bbs s ILE 539 CO 0.24 0.02 0.99 -0.69 -2.11 0.00 0.00 174.94 173.39 2bbs s VAL 540 N 1.51 4.68 -0.61 4.00 1.01 -1.26 -2.29 120.40 127.44 2bbs s VAL 540 Ca 0.73 2.01 -0.15 0.00 0.00 0.00 0.00 61.98 64.56 2bbs s VAL 540 Cb -0.45 -4.29 0.15 0.00 0.00 0.00 0.00 36.38 31.80 2bbs s VAL 540 CO 0.32 0.20 0.56 -0.76 0.00 0.00 0.00 175.10 175.43 2bbs s LEU 541 N 0.69 6.32 0.12 3.92 1.02 0.10 -4.91 118.68 125.94 2bbs s LEU 541 Ca 0.51 -2.01 0.00 0.00 0.02 0.00 0.00 54.13 52.65 2bbs s LEU 541 Cb -0.22 -2.21 0.00 0.00 0.02 0.00 0.00 46.19 43.78 2bbs s LEU 541 CO 0.29 -0.79 0.00 -0.38 0.02 0.00 0.00 176.35 175.49 2bbs n ILE 546 N 4.93 -5.59 -4.07 -0.59 2.08 -1.26 -2.74 119.36 112.12 2bbs n ILE 546 Ca -0.07 1.57 -0.36 0.00 0.56 0.00 0.00 62.75 64.46 2bbs n ILE 546 Cb 0.42 -2.59 -0.08 0.00 -0.75 0.00 0.00 39.64 36.63 2bbs n ILE 546 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2bbs s THR 547 N -0.57 4.91 0.18 1.39 2.01 -1.26 -5.12 115.64 117.19 2bbs s THR 547 Ca 0.00 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 2bbs s THR 547 Cb 0.00 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 2bbs s THR 547 CO 0.00 0.56 0.39 -0.76 -0.69 0.00 0.00 174.62 174.12 2bbs s LEU 548 N -0.52 4.23 0.80 4.42 1.43 -1.26 -5.10 118.68 122.67 2bbs s LEU 548 Ca 0.11 0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 2bbs s LEU 548 Cb -0.12 -3.23 0.07 0.00 0.03 0.00 0.00 46.19 42.94 2bbs s LEU 548 CO 0.02 -0.02 1.09 -0.94 0.23 0.00 0.00 176.35 176.73 2bbs s SER 549 N -2.91 4.39 0.23 2.29 1.04 -1.26 -4.86 113.70 112.61 2bbs s SER 549 Ca 0.39 1.61 -0.06 0.00 0.48 0.00 0.00 55.95 58.38 2bbs s SER 549 Cb -0.11 -2.35 0.39 0.00 0.10 0.00 0.00 66.02 64.05 2bbs s SER 549 CO 0.28 -2.08 1.74 1.23 0.98 0.00 0.00 173.24 175.38 2bbs h GLY 550 N -1.16 1.03 1.01 7.32 0.00 -1.95 -1.63 103.07 107.69 2bbs h GLY 550 Ca -0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 2bbs h GLY 550 CO 0.54 -0.06 0.39 -1.33 0.00 0.00 0.00 176.54 176.08 2bbs h GLY 551 N 0.44 1.08 1.03 4.60 0.00 -1.76 -0.03 103.07 108.43 2bbs h GLY 551 Ca 0.37 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 2bbs h GLY 551 CO -0.36 0.48 0.16 1.46 0.00 0.00 0.00 176.54 178.27 2bbs h GLN 552 N 0.99 1.00 -0.56 4.80 4.20 -1.83 -1.69 115.11 122.02 2bbs h GLN 552 Ca 0.25 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2bbs h GLN 552 Cb 0.05 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2bbs h GLN 552 CO -0.04 0.90 0.32 0.00 -0.67 0.00 0.00 178.83 179.34 2bbs h ARG 553 N 0.92 0.77 -0.39 1.46 3.08 -0.99 -0.97 114.38 118.25 2bbs h ARG 553 Ca 0.20 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2bbs h ARG 553 Cb 0.35 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2bbs h ARG 553 CO 0.00 0.57 0.23 0.00 -1.07 0.00 0.00 179.97 179.71 2bbs h ALA 554 N 1.15 0.50 -0.45 0.04 0.00 -0.88 -1.39 119.26 118.23 2bbs h ALA 554 Ca 0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2bbs h ALA 554 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2bbs h ALA 554 CO -0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.11 2bbs h ARG 555 N 0.51 0.81 -0.34 0.00 3.08 -1.09 -1.63 114.38 115.72 2bbs h ARG 555 Ca 0.14 -0.27 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 2bbs h ARG 555 Cb 0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2bbs h ARG 555 CO -0.03 0.88 -0.36 0.82 -1.07 0.00 0.00 179.97 180.21 2bbs h ILE 556 N 0.73 1.28 -0.60 2.04 2.04 -1.07 -0.98 117.51 120.95 2bbs h ILE 556 Ca 0.12 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.40 2bbs h ILE 556 Cb 0.59 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2bbs h ILE 556 CO 0.04 0.50 0.12 0.28 0.00 0.00 0.00 178.15 179.09 2bbs h SER 557 N 0.65 0.92 -0.12 1.72 0.02 -1.05 -1.49 113.55 114.20 2bbs h SER 557 Ca 0.06 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2bbs h SER 557 Cb 0.91 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2bbs h SER 557 CO 0.08 0.93 0.06 0.25 -1.14 0.00 0.00 176.83 177.01 2bbs h LEU 558 N 0.88 0.15 -0.75 5.07 5.85 -1.22 -2.58 115.31 122.70 2bbs h LEU 558 Ca 0.18 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2bbs h LEU 558 Cb 0.38 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 2bbs h LEU 558 CO 0.01 0.23 0.40 0.00 -0.34 0.00 0.00 178.44 178.74 2bbs h ALA 559 N 0.93 1.05 -0.47 1.25 0.00 -1.03 0.10 119.26 121.09 2bbs h ALA 559 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2bbs h ALA 559 Cb 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2bbs h ALA 559 CO -0.01 0.02 0.28 -0.09 0.00 0.00 0.00 179.25 179.46 2bbs h ARG 560 N 0.68 0.55 -0.55 0.00 2.43 -1.18 0.13 114.38 116.45 2bbs h ARG 560 Ca 0.36 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.38 2bbs h ARG 560 Cb 0.35 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2bbs h ARG 560 CO -0.25 0.36 -0.12 0.00 -1.51 0.00 0.00 179.97 178.46 2bbs h ALA 561 N 1.20 0.75 0.03 2.80 0.00 -1.00 -2.92 119.26 120.13 2bbs h ALA 561 Ca 0.19 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 2bbs h ALA 561 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2bbs h ALA 561 CO -0.08 0.68 -0.99 0.28 0.00 0.00 0.00 179.25 179.14 2bbs h VAL 562 N 0.92 1.60 -0.56 0.00 2.07 -0.85 -3.24 116.25 116.19 2bbs h VAL 562 Ca 0.14 -3.04 -0.07 0.00 0.82 0.00 0.00 66.70 64.55 2bbs h VAL 562 Cb 0.69 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 2bbs h VAL 562 CO 0.05 0.88 0.07 0.22 0.02 0.00 0.00 177.57 178.80 2bbs h TYR 563 N 0.04 0.97 -2.40 1.57 3.20 -0.75 -3.44 116.97 116.16 2bbs h TYR 563 Ca -0.04 -0.12 -0.59 0.00 3.14 0.00 0.00 58.73 61.11 2bbs h TYR 563 Cb 1.69 -0.27 0.07 0.00 1.54 0.00 0.00 36.73 39.76 2bbs h TYR 563 CO 0.02 0.84 0.67 1.17 -1.64 0.00 0.00 178.16 179.22 2bbs n LYS 564 N -4.23 1.99 -2.51 1.82 4.81 -1.10 -4.89 118.16 114.05 2bbs n LYS 564 Ca 0.04 0.71 -0.42 0.00 -0.87 0.00 0.00 58.31 57.76 2bbs n LYS 564 Cb 0.28 -2.41 -0.02 0.00 0.02 0.00 0.00 35.03 32.90 2bbs n LYS 564 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2bbs s ASP 565 N 0.56 6.42 0.23 3.14 3.68 -1.26 -4.97 116.67 124.47 2bbs s ASP 565 Ca 0.74 0.35 0.01 0.00 2.13 0.00 0.00 52.55 55.77 2bbs s ASP 565 Cb -0.69 -2.55 -0.04 0.00 -1.45 0.00 0.00 42.92 38.19 2bbs s ASP 565 CO 0.44 -1.46 0.16 0.00 0.13 0.00 0.00 175.17 174.45 2bbs s ALA 566 N 5.12 1.30 -0.71 3.66 0.00 -1.26 -4.93 121.76 124.93 2bbs s ALA 566 Ca 0.49 -1.77 0.18 0.00 0.00 0.00 0.00 51.96 50.85 2bbs s ALA 566 Cb -0.09 1.41 -0.21 0.00 0.00 0.00 0.00 23.12 24.23 2bbs s ALA 566 CO 0.28 -0.61 0.70 -0.25 0.00 0.00 0.00 175.76 175.89 2bbs n ASP 567 N -0.54 0.83 -3.71 0.00 8.00 0.87 -4.82 116.55 117.18 2bbs n ASP 567 Ca 0.03 -0.78 -0.11 0.00 0.71 0.00 0.00 54.79 54.64 2bbs n ASP 567 Cb 0.65 1.13 -0.12 0.00 -0.02 0.00 0.00 41.12 42.76 2bbs n ASP 567 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2bbs s LEU 568 N -3.06 0.11 -0.18 0.64 2.96 -0.62 -3.12 118.68 115.41 2bbs s LEU 568 Ca 0.05 0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 54.68 2bbs s LEU 568 Cb 0.13 1.11 -0.01 0.00 0.50 0.00 0.00 46.19 47.92 2bbs s LEU 568 CO 0.74 -0.18 -0.08 -0.31 -1.32 0.00 0.00 176.35 175.19 2bbs s TYR 569 N 1.33 2.90 -0.35 5.38 2.02 -0.48 -1.09 117.35 127.07 2bbs s TYR 569 Ca -0.09 -0.87 -0.03 0.00 -0.37 0.00 0.00 57.07 55.70 2bbs s TYR 569 Cb -0.09 -2.00 0.07 0.00 -0.40 0.00 0.00 41.96 39.54 2bbs s TYR 569 CO -0.11 -0.44 0.10 -0.51 -1.57 0.00 0.00 175.55 173.02 2bbs s LEU 570 N 1.05 4.52 -0.40 -1.29 1.02 0.53 -1.17 118.68 122.94 2bbs s LEU 570 Ca 0.00 -1.57 -0.06 0.00 0.02 0.00 0.00 54.13 52.53 2bbs s LEU 570 Cb -0.15 -1.78 0.09 0.00 0.02 0.00 0.00 46.19 44.37 2bbs s LEU 570 CO -0.01 -0.39 0.21 -0.76 0.02 0.00 0.00 176.35 175.42 2bbs s LEU 571 N 1.23 5.05 -0.57 1.79 1.43 0.46 -0.35 118.68 127.71 2bbs s LEU 571 Ca 0.01 -1.69 -0.21 0.00 -1.03 0.00 0.00 54.13 51.21 2bbs s LEU 571 Cb -0.21 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.19 2bbs s LEU 571 CO -0.02 -0.51 0.78 -0.62 0.23 0.00 0.00 176.35 176.21 2bbs s ASP 572 N 1.93 6.22 -1.13 2.29 -1.08 -0.09 -0.79 116.67 124.02 2bbs s ASP 572 Ca 0.04 -0.95 -0.27 0.00 -0.52 0.00 0.00 52.55 50.85 2bbs s ASP 572 Cb -0.23 -2.35 0.03 0.00 -1.46 0.00 0.00 42.92 38.91 2bbs s ASP 572 CO -0.01 -1.14 0.69 -1.20 0.52 0.00 0.00 175.17 174.03 2bbs n SER 573 N 6.81 -4.53 -0.04 -0.34 7.64 -0.79 -2.54 113.62 119.84 2bbs n SER 573 Ca -0.05 -1.18 0.15 0.00 1.01 0.00 0.00 58.87 58.80 2bbs n SER 573 Cb 0.45 -2.02 0.78 0.00 -1.01 0.00 0.00 64.21 62.41 2bbs n SER 573 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2bbs n PRO 574 N -4.49 0.68 -1.04 1.43 -0.04 -1.26 -4.24 135.00 126.03 2bbs n PRO 574 Ca -0.14 -0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.18 2bbs n PRO 574 Cb 0.59 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.85 2bbs n PRO 574 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bbs n PHE 575 N -1.10 2.51 -1.73 0.54 3.72 -1.26 -4.73 117.46 115.41 2bbs n PHE 575 Ca 0.17 -1.24 -0.41 0.00 -0.05 0.00 0.00 57.45 55.93 2bbs n PHE 575 Cb 0.21 -0.71 0.01 0.00 -0.94 0.00 0.00 39.48 38.06 2bbs n PHE 575 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bbs n GLY 576 N -0.20 0.81 2.82 1.37 0.00 -1.26 -2.95 105.19 105.78 2bbs n GLY 576 Ca 0.42 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2bbs n GLY 576 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bbs n TYR 577 N -0.14 0.00 -3.22 1.61 4.02 -1.26 -4.37 117.16 113.80 2bbs n TYR 577 Ca 0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.57 2bbs n TYR 577 Cb 0.40 -1.22 -0.06 0.00 -0.02 0.00 0.00 39.34 38.44 2bbs n TYR 577 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2bbs s LEU 578 N 0.00 4.42 0.82 7.72 1.02 -1.15 -4.00 118.68 127.51 2bbs s LEU 578 Ca 0.00 1.29 -0.15 0.00 0.02 0.00 0.00 54.13 55.29 2bbs s LEU 578 Cb 0.00 -3.25 -0.02 0.00 0.02 0.00 0.00 46.19 42.94 2bbs s LEU 578 CO 0.00 0.15 0.39 -0.67 0.02 0.00 0.00 176.35 176.24 2bbs n ASP 579 N 1.14 -1.87 -0.18 2.29 4.64 -1.26 -4.80 116.55 116.52 2bbs n ASP 579 Ca -0.06 0.47 -0.07 0.00 -1.38 0.00 0.00 54.79 53.74 2bbs n ASP 579 Cb 0.51 -1.18 0.02 0.00 -1.04 0.00 0.00 41.12 39.43 2bbs n ASP 579 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 2bbs h VAL 580 N -0.86 1.16 -0.21 5.18 3.04 -1.98 -1.78 116.25 120.81 2bbs h VAL 580 Ca -0.45 -0.36 -0.19 0.00 -1.01 0.00 0.00 66.70 64.69 2bbs h VAL 580 Cb 1.32 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 2bbs h VAL 580 CO 0.38 0.16 -0.63 0.25 -1.01 0.00 0.00 177.57 176.72 2bbs h LEU 581 N 0.69 0.83 -0.35 3.16 5.85 -1.99 -2.40 115.31 121.10 2bbs h LEU 581 Ca 0.18 -0.48 -0.18 0.00 0.84 0.00 0.00 57.88 58.24 2bbs h LEU 581 Cb -0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2bbs h LEU 581 CO -0.03 1.26 -0.83 0.71 -0.34 0.00 0.00 178.44 179.20 2bbs h THR 582 N 0.54 1.53 -0.40 1.05 1.35 -1.92 -0.96 112.91 114.11 2bbs h THR 582 Ca -0.01 -2.66 0.02 0.00 -0.55 0.00 0.00 66.41 63.21 2bbs h THR 582 Cb 1.23 2.46 -0.03 0.00 -1.73 0.00 0.00 68.15 70.08 2bbs h THR 582 CO 0.13 0.77 0.23 -0.08 -0.25 0.00 0.00 175.52 176.32 2bbs h GLU 583 N 0.06 0.46 -0.20 4.72 4.81 -1.30 -0.29 114.58 122.84 2bbs h GLU 583 Ca -0.03 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2bbs h GLU 583 Cb 1.45 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 2bbs h GLU 583 CO 0.12 0.30 0.03 -0.22 -0.73 0.00 0.00 179.01 178.51 2bbs h LYS 584 N 0.47 0.10 -0.78 1.92 3.64 -1.29 0.26 116.57 120.89 2bbs h LYS 584 Ca 0.16 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2bbs h LYS 584 Cb 0.01 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2bbs h LYS 584 CO -0.08 0.06 0.52 0.93 -2.27 0.00 0.00 179.45 178.62 2bbs h GLU 585 N 0.10 1.02 0.00 1.90 5.08 -0.97 -1.79 114.58 119.92 2bbs h GLU 585 Ca 0.09 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 2bbs h GLU 585 Cb 0.10 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2bbs h GLU 585 CO -0.13 0.68 -0.94 0.82 -1.00 0.00 0.00 179.01 178.43 2bbs h ILE 586 N 1.05 1.40 -0.60 3.13 2.04 -0.83 0.28 117.51 123.99 2bbs h ILE 586 Ca 0.29 -2.45 0.07 0.00 1.00 0.00 0.00 64.86 63.77 2bbs h ILE 586 Cb -0.11 2.42 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 2bbs h ILE 586 CO -0.07 0.73 0.29 0.15 0.00 0.00 0.00 178.15 179.25 2bbs h PHE 587 N 0.23 0.51 0.29 1.37 3.57 -0.32 0.35 116.94 122.94 2bbs h PHE 587 Ca -0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 2bbs h PHE 587 Cb 1.57 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.18 2bbs h PHE 587 CO 0.06 0.21 -0.14 0.93 -2.23 0.00 0.00 178.31 177.14 2bbs h GLU 588 N 0.52 -0.38 -0.20 1.11 5.08 -1.21 -1.49 114.58 118.02 2bbs h GLU 588 Ca 0.29 0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 2bbs h GLU 588 Cb 0.26 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2bbs h GLU 588 CO -0.23 -0.03 -0.52 0.66 -1.00 0.00 0.00 179.01 177.89 2bbs h SER 589 N -0.85 0.61 0.00 1.42 4.64 -0.92 -0.96 113.55 117.49 2bbs h SER 589 Ca -0.04 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2bbs h SER 589 Cb 0.52 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2bbs h SER 589 CO 0.07 1.02 -0.33 0.00 -0.87 0.00 0.00 176.83 176.72 2bbs h VAL 591 N -0.52 1.27 0.00 0.00 2.07 -1.45 -1.43 116.25 116.20 2bbs h VAL 591 Ca 0.00 -1.60 -0.14 0.00 0.82 0.00 0.00 66.70 65.78 2bbs h VAL 591 Cb 0.33 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2bbs h VAL 591 CO 0.00 0.53 -1.57 0.00 0.02 0.00 0.00 177.57 176.55 2bbs n LYS 593 N -2.73 0.18 -0.20 0.00 5.02 -0.37 -4.10 118.16 115.95 2bbs n LYS 593 Ca -0.10 0.07 -0.03 0.00 -2.02 0.00 0.00 58.31 56.23 2bbs n LYS 593 Cb 0.79 -0.73 0.08 0.00 -0.02 0.00 0.00 35.03 35.15 2bbs n LYS 593 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2bbs h LEU 594 N -0.34 0.46 -3.17 -0.35 5.85 -1.00 -2.71 115.31 114.05 2bbs h LEU 594 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2bbs h LEU 594 Cb 0.34 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2bbs h LEU 594 CO 0.00 0.30 0.00 0.23 -0.34 0.00 0.00 178.44 178.63 2bbs n MET 595 N -4.84 4.20 0.26 1.25 2.81 -0.56 -4.60 117.12 115.65 2bbs n MET 595 Ca 0.07 -2.78 0.18 0.00 -1.81 0.00 0.00 57.70 53.36 2bbs n MET 595 Cb 0.16 -2.08 0.91 0.00 -0.71 0.00 0.00 33.22 31.50 2bbs n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2bbs h ALA 596 N 3.89 1.54 -0.27 3.04 0.00 -1.62 -1.81 119.26 124.02 2bbs h ALA 596 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bbs h ALA 596 Cb 1.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2bbs h ALA 596 CO 0.37 -0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.48 2bbs n ASN 597 N -3.48 2.83 -4.76 0.00 4.13 -1.26 -4.76 115.26 107.96 2bbs n ASN 597 Ca -0.00 -2.10 -0.34 0.00 1.68 0.00 0.00 54.58 53.81 2bbs n ASN 597 Cb 0.28 -0.22 -0.08 0.00 -1.54 0.00 0.00 39.78 38.22 2bbs n ASN 597 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2bbs s LYS 598 N -1.19 3.08 0.05 3.52 -0.14 -0.68 -4.09 119.74 120.30 2bbs s LYS 598 Ca 0.21 -0.41 -0.31 0.00 -1.36 0.00 0.00 55.97 54.10 2bbs s LYS 598 Cb 0.12 -2.88 -0.06 0.00 -1.68 0.00 0.00 37.83 33.33 2bbs s LYS 598 CO 0.12 0.69 1.36 0.99 -0.76 0.00 0.00 175.35 177.75 2bbs s THR 599 N -1.06 3.62 0.03 2.17 2.01 -1.26 -4.08 115.64 117.08 2bbs s THR 599 Ca 0.18 1.10 -0.09 0.00 0.31 0.00 0.00 61.69 63.19 2bbs s THR 599 Cb -0.12 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2bbs s THR 599 CO 0.08 0.04 0.19 0.00 -0.69 0.00 0.00 174.62 174.25 2bbs s ARG 600 N 1.72 0.65 -0.10 4.92 1.70 -0.51 -1.38 118.95 125.96 2bbs s ARG 600 Ca 0.63 -0.56 0.02 0.00 -0.47 0.00 0.00 55.73 55.35 2bbs s ARG 600 Cb -0.33 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.34 2bbs s ARG 600 CO 0.28 -0.18 -0.14 0.42 -1.08 0.00 0.00 175.30 174.60 2bbs s ILE 601 N -2.27 1.37 -0.15 4.99 1.01 -0.31 -0.80 121.20 125.05 2bbs s ILE 601 Ca -0.07 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.02 2bbs s ILE 601 Cb -0.03 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.19 2bbs s ILE 601 CO -0.02 0.42 -0.21 -0.22 0.00 0.00 0.00 174.94 174.91 2bbs s LEU 602 N 0.96 2.15 -0.12 2.97 2.96 0.38 -0.41 118.68 127.57 2bbs s LEU 602 Ca -0.08 -0.61 -0.22 0.00 -0.22 0.00 0.00 54.13 53.01 2bbs s LEU 602 Cb -0.15 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2bbs s LEU 602 CO -0.01 0.06 0.64 -0.69 -1.32 0.00 0.00 176.35 175.03 2bbs s VAL 603 N 0.95 5.06 0.18 1.68 1.01 0.03 -0.20 120.40 129.11 2bbs s VAL 603 Ca -0.03 1.27 -0.16 0.00 0.00 0.00 0.00 61.98 63.05 2bbs s VAL 603 Cb -0.15 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2bbs s VAL 603 CO -0.05 0.22 0.48 0.28 0.00 0.00 0.00 175.10 176.03 2bbs s THR 604 N 1.14 0.04 -0.06 3.92 -1.32 -0.63 -1.89 115.64 116.84 2bbs s THR 604 Ca 0.32 -0.81 0.09 0.00 -1.21 0.00 0.00 61.69 60.09 2bbs s THR 604 Cb -0.16 -1.54 0.14 0.00 -1.51 0.00 0.00 72.50 69.42 2bbs s THR 604 CO 0.14 -0.16 1.03 -1.54 -2.21 0.00 0.00 174.62 171.87 2bbs n SER 605 N -0.31 1.74 -4.72 8.08 3.41 -1.26 -4.22 113.62 116.33 2bbs n SER 605 Ca -0.11 -2.42 -0.37 0.00 -0.26 0.00 0.00 58.87 55.71 2bbs n SER 605 Cb 0.63 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 2bbs n SER 605 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bbs s LYS 606 N -1.67 4.29 0.29 4.33 1.02 -1.26 -4.91 119.74 121.83 2bbs s LYS 606 Ca 0.15 0.26 -0.02 0.00 0.02 0.00 0.00 55.97 56.39 2bbs s LYS 606 Cb 0.13 -3.44 0.41 0.00 -0.52 0.00 0.00 37.83 34.41 2bbs s LYS 606 CO 0.01 0.18 1.87 0.52 -0.92 0.00 0.00 175.35 177.00 2bbs h MET 607 N 6.77 0.90 -1.00 1.68 2.86 -1.95 -2.23 114.93 121.96 2bbs h MET 607 Ca -0.41 -0.14 0.11 0.00 -2.06 0.00 0.00 59.70 57.20 2bbs h MET 607 Cb 1.17 -0.16 -0.08 0.00 0.06 0.00 0.00 31.60 32.59 2bbs h MET 607 CO 0.75 0.74 0.63 1.49 1.06 0.00 0.00 176.91 181.59 2bbs h GLU 608 N 0.89 0.99 -0.34 1.72 4.81 -1.99 -0.96 114.58 119.71 2bbs h GLU 608 Ca 0.21 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 2bbs h GLU 608 Cb 0.17 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2bbs h GLU 608 CO -0.02 0.66 -0.29 0.45 -0.73 0.00 0.00 179.01 179.08 2bbs h HIS 609 N 1.02 0.83 -0.69 0.92 3.86 -1.82 -2.58 115.15 116.68 2bbs h HIS 609 Ca 0.48 -0.21 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 2bbs h HIS 609 Cb 0.42 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2bbs h HIS 609 CO -0.00 0.92 0.15 -0.07 0.86 0.00 0.00 177.93 179.79 2bbs h LEU 610 N 0.61 1.07 -1.02 2.43 3.38 -1.10 -2.65 115.31 118.03 2bbs h LEU 610 Ca 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2bbs h LEU 610 Cb 0.80 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2bbs h LEU 610 CO 0.07 1.03 0.31 0.50 0.09 0.00 0.00 178.44 180.44 2bbs h LYS 611 N 1.06 1.00 -0.01 1.13 3.64 -1.01 -2.83 116.57 119.56 2bbs h LYS 611 Ca 0.22 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2bbs h LYS 611 Cb 0.40 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2bbs h LYS 611 CO 0.01 0.80 -0.34 1.63 -2.27 0.00 0.00 179.45 179.27 2bbs n LYS 612 N -4.32 0.65 -2.47 1.90 5.02 -0.99 -4.88 118.16 113.07 2bbs n LYS 612 Ca 0.06 -0.40 -0.36 0.00 -2.02 0.00 0.00 58.31 55.60 2bbs n LYS 612 Cb 0.15 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 2bbs n LYS 612 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bbs s ALA 613 N -2.62 2.97 0.19 7.82 0.00 -1.01 -4.98 121.76 124.13 2bbs s ALA 613 Ca 0.21 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 2bbs s ALA 613 Cb 0.19 -3.29 0.11 0.00 0.00 0.00 0.00 23.12 20.12 2bbs s ALA 613 CO 0.57 -0.36 1.64 -0.44 0.00 0.00 0.00 175.76 177.18 2bbs h ASP 614 N 2.03 1.00 -5.13 0.00 3.32 -1.67 -3.45 116.42 112.51 2bbs h ASP 614 Ca -0.49 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.13 2bbs h ASP 614 Cb 1.23 -0.27 -0.17 0.00 0.22 0.00 0.00 39.33 40.34 2bbs h ASP 614 CO 0.60 1.07 -0.62 -0.54 -1.72 0.00 0.00 179.24 178.04 2bbs s LYS 615 N -4.94 0.55 0.01 3.56 -0.14 -1.07 -4.73 119.74 112.98 2bbs s LYS 615 Ca -0.11 -0.94 0.03 0.00 -1.36 0.00 0.00 55.97 53.59 2bbs s LYS 615 Cb 0.14 0.20 -0.01 0.00 -1.68 0.00 0.00 37.83 36.48 2bbs s LYS 615 CO 0.85 -0.12 -0.09 0.96 -0.76 0.00 0.00 175.35 176.19 2bbs s ILE 616 N -3.01 0.73 -0.16 2.17 -4.36 0.16 -1.38 121.20 115.35 2bbs s ILE 616 Ca -0.02 -0.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.82 2bbs s ILE 616 Cb 0.01 -0.65 0.03 0.00 1.25 0.00 0.00 42.46 43.11 2bbs s ILE 616 CO -0.07 0.09 -0.11 -0.22 0.24 0.00 0.00 174.94 174.87 2bbs s LEU 617 N -0.53 1.83 -0.24 0.37 2.96 -0.00 -1.81 118.68 121.26 2bbs s LEU 617 Ca 0.01 -0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 53.22 2bbs s LEU 617 Cb -0.05 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 2bbs s LEU 617 CO 0.00 -0.11 0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 2bbs s ILE 618 N 1.49 4.82 0.10 6.68 1.01 0.83 -1.17 121.20 134.97 2bbs s ILE 618 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.72 2bbs s ILE 618 Cb -0.14 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 2bbs s ILE 618 CO -0.09 0.35 -0.00 -0.76 0.00 0.00 0.00 174.94 174.43 2bbs s LEU 619 N 1.26 3.43 -0.29 2.97 1.43 -0.18 0.20 118.68 127.51 2bbs s LEU 619 Ca 0.06 -0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 2bbs s LEU 619 Cb -0.14 -2.16 0.11 0.00 0.03 0.00 0.00 46.19 44.02 2bbs s LEU 619 CO 0.05 0.17 0.67 -2.28 0.23 0.00 0.00 176.35 175.19 2bbs s HIS 620 N -1.35 -1.21 -1.57 0.29 2.46 -0.30 -2.89 115.29 110.72 2bbs s HIS 620 Ca 0.26 2.24 -0.17 0.00 0.47 0.00 0.00 55.06 57.85 2bbs s HIS 620 Cb -0.11 0.73 0.15 0.00 -0.13 0.00 0.00 32.58 33.22 2bbs s HIS 620 CO 0.18 -0.60 0.65 0.39 -2.47 0.00 0.00 174.74 172.89 2bbs n GLU 621 N 4.91 -2.64 -0.00 2.88 1.02 -1.26 -1.36 120.64 124.18 2bbs n GLU 621 Ca -0.16 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2bbs n GLU 621 Cb 0.54 -5.00 0.00 0.00 -0.02 0.00 0.00 31.44 26.96 2bbs n GLU 621 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bbs n GLY 622 N -1.22 2.28 3.95 0.62 0.00 -0.32 -4.93 105.19 105.57 2bbs n GLY 622 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 2bbs n GLY 622 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bbs s SER 623 N -3.52 6.23 -0.59 1.61 0.01 -0.47 -0.33 113.70 116.65 2bbs s SER 623 Ca 0.00 0.29 -0.27 0.00 1.31 0.00 0.00 55.95 57.28 2bbs s SER 623 Cb 0.00 -1.88 0.03 0.00 0.21 0.00 0.00 66.02 64.38 2bbs s SER 623 CO 0.00 -0.29 1.15 -0.55 0.41 0.00 0.00 173.24 173.96 2bbs s SER 624 N -4.05 6.41 0.23 2.44 0.15 -1.26 -1.16 113.70 116.46 2bbs s SER 624 Ca 0.40 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 57.09 2bbs s SER 624 Cb -0.09 -2.53 0.23 0.00 -1.71 0.00 0.00 66.02 61.91 2bbs s SER 624 CO 0.34 -1.46 1.54 0.22 1.20 0.00 0.00 173.24 175.08 2bbs h TYR 625 N 9.53 0.19 -1.82 3.44 3.20 -0.57 -3.47 116.97 127.47 2bbs h TYR 625 Ca -0.25 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.56 2bbs h TYR 625 Cb 1.06 -0.03 -0.23 0.00 1.54 0.00 0.00 36.73 39.07 2bbs h TYR 625 CO 1.02 0.77 0.23 0.12 -1.64 0.00 0.00 178.16 178.66 2bbs s PHE 626 N -3.58 -0.73 -0.03 -3.82 5.36 -1.10 -4.98 117.98 109.11 2bbs s PHE 626 Ca -0.03 1.65 0.01 0.00 -0.96 0.00 0.00 56.93 57.60 2bbs s PHE 626 Cb 0.12 0.38 0.02 0.00 -0.34 0.00 0.00 43.02 43.20 2bbs s PHE 626 CO 0.79 -0.35 -0.02 -0.47 -1.46 0.00 0.00 175.22 173.71 2bbs s TYR 627 N 0.71 0.42 0.00 10.12 5.04 -1.26 -0.12 117.35 132.27 2bbs s TYR 627 Ca -0.02 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 2bbs s TYR 627 Cb -0.05 -0.44 0.00 0.00 0.35 0.00 0.00 41.96 41.82 2bbs s TYR 627 CO -0.07 -0.12 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 2bbs n GLY 628 N 3.91 -0.10 3.86 8.97 0.00 -0.75 -5.00 105.19 116.08 2bbs n GLY 628 Ca -0.24 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.78 2bbs n GLY 628 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbs s THR 629 N -3.40 4.81 0.22 2.61 2.01 -1.26 0.40 115.64 121.01 2bbs s THR 629 Ca 0.00 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 60.97 2bbs s THR 629 Cb 0.00 -3.47 0.17 0.00 0.01 0.00 0.00 72.50 69.21 2bbs s THR 629 CO 0.00 -0.11 1.85 0.15 -0.69 0.00 0.00 174.62 175.81 2bbs h PHE 630 N 2.27 0.86 -0.16 4.92 3.57 -1.87 0.22 116.94 126.74 2bbs h PHE 630 Ca -0.48 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 60.94 2bbs h PHE 630 Cb 1.20 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 2bbs h PHE 630 CO 0.56 0.47 -0.36 0.66 -2.23 0.00 0.00 178.31 177.40 2bbs h SER 631 N 0.88 0.36 0.11 0.41 4.64 -1.95 -1.40 113.55 116.60 2bbs h SER 631 Ca 0.31 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 2bbs h SER 631 Cb 0.08 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2bbs h SER 631 CO -0.13 0.70 -0.24 -0.33 -0.87 0.00 0.00 176.83 175.95 2bbs h GLU 632 N 0.30 0.24 -0.15 4.77 5.08 -1.86 -1.87 114.58 121.09 2bbs h GLU 632 Ca 0.03 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2bbs h GLU 632 Cb 0.78 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2bbs h GLU 632 CO 0.06 0.47 0.01 1.25 -1.00 0.00 0.00 179.01 179.80 2bbs h LEU 633 N 0.21 0.25 -1.64 1.33 5.85 -0.36 0.76 115.31 121.72 2bbs h LEU 633 Ca 0.04 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.60 2bbs h LEU 633 Cb 0.55 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2bbs h LEU 633 CO 0.04 0.47 0.46 1.56 -0.34 0.00 0.00 178.44 180.63 2bbs h GLN 634 N 0.01 0.37 0.00 1.25 4.20 -1.16 0.33 115.11 120.11 2bbs h GLN 634 Ca 0.04 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.52 2bbs h GLN 634 Cb 0.34 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2bbs h GLN 634 CO 0.01 0.24 -1.13 -0.91 -0.67 0.00 0.00 178.83 176.37 2bbs h ASN 635 N 0.38 0.00 0.74 1.46 2.35 -1.07 -3.35 115.58 116.10 2bbs h ASN 635 Ca 0.33 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2bbs h ASN 635 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2bbs h ASN 635 CO -0.09 1.44 -0.15 0.18 -1.65 0.00 0.00 177.43 177.15 2bbs n LEU 636 N -4.45 0.20 -3.16 1.61 4.77 0.26 -4.24 117.00 111.99 2bbs n LEU 636 Ca -0.30 0.28 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 2bbs n LEU 636 Cb 0.66 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2bbs n LEU 636 CO 0.20 0.05 -0.21 0.54 -1.33 0.00 0.00 177.39 176.63 2bbs n ARG 637 N -1.40 0.90 -0.21 3.23 5.12 0.10 -4.99 116.66 119.41 2bbs n ARG 637 Ca 0.08 -3.23 -0.09 0.00 -1.93 0.00 0.00 57.85 52.68 2bbs n ARG 637 Cb 0.32 -1.54 0.03 0.00 -1.16 0.00 0.00 32.46 30.12 2bbs n ARG 637 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2bbs h PRO 638 N 3.30 1.07 -0.41 5.56 0.11 -1.71 -0.55 132.00 139.37 2bbs h PRO 638 Ca 0.08 -0.34 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 2bbs h PRO 638 Cb 0.95 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2bbs h PRO 638 CO 0.47 1.05 -0.20 -0.44 -0.21 0.00 0.00 178.00 178.67 2bbs h ASP 639 N 0.98 0.80 -0.07 -2.05 5.19 -1.94 -1.74 116.42 117.59 2bbs h ASP 639 Ca 0.17 -0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 2bbs h ASP 639 Cb 0.56 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 2bbs h ASP 639 CO 0.03 0.98 -0.00 0.15 -3.12 0.00 0.00 179.24 177.28 2bbs h PHE 640 N 0.69 0.13 -0.63 4.55 3.57 -1.92 -3.28 116.94 120.05 2bbs h PHE 640 Ca 0.10 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2bbs h PHE 640 Cb 0.70 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 2bbs h PHE 640 CO 0.04 0.41 0.39 0.77 -2.23 0.00 0.00 178.31 177.68 2bbs h SER 641 N -0.18 0.64 -0.13 0.41 0.02 -1.06 -3.01 113.55 110.23 2bbs h SER 641 Ca 0.02 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2bbs h SER 641 Cb 0.36 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2bbs h SER 641 CO 0.00 0.44 0.29 0.77 -1.14 0.00 0.00 176.83 177.20 2bbs h SER 642 N 0.77 0.00 0.17 3.07 4.64 -1.37 0.24 113.55 121.06 2bbs h SER 642 Ca 0.25 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.23 2bbs h SER 642 Cb 0.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2bbs h SER 642 CO -0.10 0.00 -1.74 0.11 -0.87 0.00 0.00 176.83 174.23 2bbs h LYS 643 N 0.00 0.37 -0.00 4.77 1.79 -1.66 -3.38 116.57 118.46 2bbs h LYS 643 Ca 0.06 -0.63 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 2bbs h LYS 643 Cb 0.64 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2bbs h LYS 643 CO -0.00 1.30 -0.27 1.28 -1.08 0.00 0.00 179.45 180.68 2bbs n LEU 644 N -3.62 0.44 -3.52 2.94 7.99 0.34 -5.00 117.00 116.56 2bbs n LEU 644 Ca -0.26 0.09 -0.29 0.00 -0.01 0.00 0.00 56.01 55.54 2bbs n LEU 644 Cb 1.05 -0.28 -0.13 0.00 -0.11 0.00 0.00 43.42 43.96 2bbs n LEU 644 CO 0.49 0.10 -0.31 -0.04 -1.51 0.00 0.00 177.39 176.12 2bbs s MET 645 N -2.82 0.63 -0.10 3.23 -1.94 0.55 -4.74 119.30 114.12 2bbs s MET 645 Ca 0.17 -1.34 -0.05 0.00 -1.71 0.00 0.00 55.69 52.76 2bbs s MET 645 Cb 0.19 -1.48 -0.22 0.00 2.01 0.00 0.00 34.83 35.33 2bbs s MET 645 CO 0.59 -1.17 3.11 -1.13 -0.01 0.00 0.00 175.02 176.41 2bbs n SER 649 N 4.13 4.63 -0.27 3.03 3.41 -1.26 -5.00 113.62 122.30 2bbs n SER 649 Ca 0.09 -2.34 0.01 0.00 -0.26 0.00 0.00 58.87 56.37 2bbs n SER 649 Cb 0.37 -1.21 0.14 0.00 -0.26 0.00 0.00 64.21 63.25 2bbs n SER 649 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2bbs h PHE 650 N 3.61 0.80 0.00 7.33 3.57 -1.95 -2.16 116.94 128.14 2bbs h PHE 650 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2bbs h PHE 650 Cb 1.21 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2bbs h PHE 650 CO 1.68 0.36 0.00 -0.25 -2.23 0.00 0.00 178.31 177.87 2bbs n ASP 651 N -4.75 0.00 0.17 0.41 8.00 -1.26 -1.62 116.55 117.50 2bbs n ASP 651 Ca 0.11 0.39 0.12 0.00 0.71 0.00 0.00 54.79 56.12 2bbs n ASP 651 Cb 0.23 -0.46 0.14 0.00 -0.02 0.00 0.00 41.12 41.01 2bbs n ASP 651 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2bbs h GLN 652 N 0.00 0.00 -7.24 -1.24 1.08 -1.85 -3.47 115.11 102.39 2bbs h GLN 652 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 2bbs h GLN 652 Cb 0.38 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 27.97 2bbs h GLN 652 CO 0.00 0.00 0.32 -0.06 -0.95 0.00 0.00 178.83 178.14 2bbs s PHE 653 N -3.24 2.07 0.69 2.96 0.08 -0.64 -4.99 117.98 114.91 2bbs s PHE 653 Ca 0.05 1.66 -0.14 0.00 0.12 0.00 0.00 56.93 58.62 2bbs s PHE 653 Cb 0.07 -3.30 0.02 0.00 -0.57 0.00 0.00 43.02 39.24 2bbs s PHE 653 CO 0.70 -2.41 1.12 -1.54 -0.10 0.00 0.00 175.22 172.99 2bbs s SER 654 N -2.61 4.87 0.25 1.36 1.04 -1.26 -4.75 113.70 112.60 2bbs s SER 654 Ca 0.68 2.01 -0.11 0.00 0.48 0.00 0.00 55.95 59.02 2bbs s SER 654 Cb -0.23 -2.55 0.36 0.00 0.10 0.00 0.00 66.02 63.69 2bbs s SER 654 CO 0.52 -1.79 1.59 0.00 0.98 0.00 0.00 173.24 174.53 2bbs h ALA 655 N -0.23 0.55 -0.37 5.32 0.00 -1.96 0.11 119.26 122.68 2bbs h ALA 655 Ca -0.46 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2bbs h ALA 655 Cb 1.25 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 2bbs h ALA 655 CO 0.53 -0.40 0.19 0.93 0.00 0.00 0.00 179.25 180.49 2bbs h GLU 656 N -0.00 0.53 -0.47 0.00 3.07 -1.98 -0.61 114.58 115.11 2bbs h GLU 656 Ca 0.40 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.08 2bbs h GLU 656 Cb 0.61 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2bbs h GLU 656 CO -0.86 0.46 -0.11 -0.09 -1.40 0.00 0.00 179.01 177.01 2bbs h ARG 657 N 0.46 0.90 -0.45 2.33 9.65 -1.74 0.07 114.38 125.59 2bbs h ARG 657 Ca 0.13 -0.34 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 2bbs h ARG 657 Cb 0.10 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 2bbs h ARG 657 CO -0.02 0.99 0.30 0.00 2.80 0.00 0.00 179.97 184.04 2bbs h ARG 658 N 0.74 0.60 -0.14 0.20 3.08 -0.60 0.08 114.38 118.34 2bbs h ARG 658 Ca 0.12 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 2bbs h ARG 658 Cb 0.66 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2bbs h ARG 658 CO 0.05 0.41 -0.30 -0.91 -1.07 0.00 0.00 179.97 178.15 2bbs h ASN 659 N 0.61 0.27 -0.07 7.04 2.35 -0.98 0.22 115.58 125.02 2bbs h ASN 659 Ca 0.17 -0.09 -0.19 0.00 -0.55 0.00 0.00 56.30 55.63 2bbs h ASN 659 Cb -0.06 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2bbs h ASN 659 CO -0.03 0.57 -0.64 -1.28 -1.65 0.00 0.00 177.43 174.39 2bbs h SER 660 N 0.24 0.79 -0.30 5.81 0.87 -0.58 -1.21 113.55 119.18 2bbs h SER 660 Ca 0.03 -0.46 -0.06 0.00 -1.23 0.00 0.00 61.79 60.07 2bbs h SER 660 Cb 0.65 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2bbs h SER 660 CO 0.05 1.23 -0.03 0.40 -0.53 0.00 0.00 176.83 177.95 2bbs h ILE 661 N 0.51 1.27 -0.01 2.23 2.04 -0.77 -0.88 117.51 121.89 2bbs h ILE 661 Ca -0.01 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 2bbs h ILE 661 Cb 1.23 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2bbs h ILE 661 CO 0.13 0.33 0.01 0.25 0.00 0.00 0.00 178.15 178.86 2bbs h LEU 662 N 0.34 0.01 -0.35 1.44 6.46 -0.98 -0.37 115.31 121.86 2bbs h LEU 662 Ca 0.08 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 2bbs h LEU 662 Cb 0.49 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 2bbs h LEU 662 CO 0.02 0.10 0.07 0.74 -0.62 0.00 0.00 178.44 178.75 2bbs h THR 663 N -0.08 0.82 -0.36 1.05 2.02 -1.24 -0.55 112.91 114.58 2bbs h THR 663 Ca 0.00 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.97 2bbs h THR 663 Cb 0.09 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2bbs h THR 663 CO -0.00 0.03 -0.38 -0.33 0.37 0.00 0.00 175.52 175.21 2bbs h GLU 664 N 0.19 0.86 -0.56 6.66 5.08 -1.07 -1.53 114.58 124.21 2bbs h GLU 664 Ca 0.17 -0.45 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 2bbs h GLU 664 Cb 0.19 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2bbs h GLU 664 CO -0.22 1.09 0.03 1.15 -1.00 0.00 0.00 179.01 180.05 2bbs h THR 665 N 0.71 1.25 -0.23 1.13 2.02 -0.95 -2.48 112.91 114.36 2bbs h THR 665 Ca 0.06 -1.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.10 2bbs h THR 665 Cb 0.96 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2bbs h THR 665 CO 0.09 0.38 -0.21 -0.07 0.37 0.00 0.00 175.52 176.08 2bbs h LEU 666 N 0.87 0.57 -1.99 2.58 4.07 -0.98 -2.10 115.31 118.33 2bbs h LEU 666 Ca 0.17 -0.47 0.12 0.00 0.08 0.00 0.00 57.88 57.78 2bbs h LEU 666 Cb 0.48 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2bbs h LEU 666 CO 0.02 0.92 0.30 0.45 -1.08 0.00 0.00 178.44 179.05 2bbs h HIS 667 N 0.24 0.01 0.08 1.13 3.86 -1.21 -0.43 115.15 118.83 2bbs h HIS 667 Ca 0.04 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.99 2bbs h HIS 667 Cb 0.75 -0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.25 2bbs h HIS 667 CO 0.08 0.00 -1.06 0.00 0.86 0.00 0.00 177.93 177.81 2bbs h ARG 668 N 0.01 0.58 -0.01 2.45 3.08 -1.05 -3.39 114.38 116.05 2bbs h ARG 668 Ca 0.20 -0.73 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2bbs h ARG 668 Cb 0.77 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.05 2bbs h ARG 668 CO -0.00 1.31 -0.16 1.19 -1.07 0.00 0.00 179.97 181.24 2bbs n PHE 669 N -3.91 0.00 -1.82 3.04 3.01 -0.83 -5.04 117.46 111.92 2bbs n PHE 669 Ca -0.13 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.97 2bbs n PHE 669 Cb 0.90 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.43 2bbs n PHE 669 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2bbs s SER 670 N -1.46 4.82 0.00 4.37 1.04 -0.19 -5.07 113.70 117.21 2bbs s SER 670 Ca 0.13 2.46 0.00 0.00 0.48 0.00 0.00 55.95 59.02 2bbs s SER 670 Cb 0.11 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2bbs s SER 670 CO 0.27 -1.85 0.00 0.18 0.98 0.00 0.00 173.24 172.82