#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwt n HIS 375 N 0.00 0.53 -4.06 -0.67 8.25 -1.26 -4.93 115.22 113.08 1cwt n HIS 375 Ca 0.00 -0.27 -0.23 0.00 -0.26 0.00 0.00 57.72 56.96 1cwt n HIS 375 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1cwt n HIS 375 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1cwt n ARG 376 N 0.82 0.87 -1.54 -0.41 1.74 -1.26 -5.14 116.66 111.75 1cwt n ARG 376 Ca 0.16 -2.90 -0.30 0.00 -0.77 0.00 0.00 57.85 54.05 1cwt n ARG 376 Cb 0.40 0.46 0.18 0.00 -1.02 0.00 0.00 32.46 32.48 1cwt n ARG 376 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1cwt s GLU 377 N -3.75 0.28 0.71 5.56 1.03 -1.26 -4.99 118.70 116.27 1cwt s GLU 377 Ca 0.18 -0.06 -0.08 0.00 0.03 0.00 0.00 54.97 55.04 1cwt s GLU 377 Cb -0.01 -1.77 0.05 0.00 -0.80 0.00 0.00 34.13 31.59 1cwt s GLU 377 CO 0.11 -2.71 1.05 -0.51 -1.33 0.00 0.00 175.26 171.87 1cwt s LEU 378 N -6.25 2.82 1.03 1.83 1.43 -1.26 -4.31 118.68 113.98 1cwt s LEU 378 Ca 0.69 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.32 1cwt s LEU 378 Cb -0.09 -3.34 0.21 0.00 0.03 0.00 0.00 46.19 42.99 1cwt s LEU 378 CO 0.54 -1.54 1.14 0.27 0.23 0.00 0.00 176.35 176.98 1cwt s ILE 379 N -3.30 1.88 0.27 -0.59 -4.36 -0.03 -4.81 121.20 110.25 1cwt s ILE 379 Ca 0.59 0.00 0.03 0.00 -0.26 0.00 0.00 60.65 61.01 1cwt s ILE 379 Cb -0.11 -2.63 0.35 0.00 1.25 0.00 0.00 42.46 41.33 1cwt s ILE 379 CO 0.47 0.00 1.33 0.61 0.24 0.00 0.00 174.94 177.58 1cwt n GLY 380 N -1.68 -1.11 1.77 6.27 0.00 -0.61 -0.24 105.19 109.59 1cwt n GLY 380 Ca 0.09 0.82 0.08 0.00 0.00 0.00 0.00 46.02 47.01 1cwt n GLY 380 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cwt n ASP 381 N -5.19 5.37 -2.16 1.61 5.75 -1.26 -4.93 116.55 115.73 1cwt n ASP 381 Ca 0.21 -2.76 -0.17 0.00 -0.01 0.00 0.00 54.79 52.06 1cwt n ASP 381 Cb 0.68 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 1cwt n ASP 381 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1cwt n TYR 382 N 0.79 -0.93 0.02 2.11 4.01 0.66 -4.85 117.16 118.98 1cwt n TYR 382 Ca 0.27 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.90 1cwt n TYR 382 Cb 1.09 -3.29 -0.14 0.00 -0.31 0.00 0.00 39.34 36.69 1cwt n TYR 382 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1cwt h SER 383 N 0.00 0.14 -1.82 7.72 4.64 -1.92 -3.48 113.55 118.84 1cwt h SER 383 Ca -0.38 -0.23 0.03 0.00 -0.47 0.00 0.00 61.79 60.73 1cwt h SER 383 Cb 1.24 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1cwt h SER 383 CO 0.48 1.20 0.22 2.29 -0.87 0.00 0.00 176.83 180.15 1cwt n LYS 384 N -3.26 0.47 -2.57 4.77 2.85 -1.26 -5.04 118.16 114.11 1cwt n LYS 384 Ca -0.15 -0.97 -0.25 0.00 -1.05 0.00 0.00 58.31 55.90 1cwt n LYS 384 Cb 1.03 1.25 0.03 0.00 -0.65 0.00 0.00 35.03 36.68 1cwt n LYS 384 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1cwt s ALA 385 N -1.55 3.50 0.28 0.58 0.00 -1.26 -0.85 121.76 122.45 1cwt s ALA 385 Ca 0.10 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1cwt s ALA 385 Cb -0.02 -2.39 -0.10 0.00 0.00 0.00 0.00 23.12 20.61 1cwt s ALA 385 CO 0.05 -0.74 1.40 -0.06 0.00 0.00 0.00 175.76 176.40 1cwt s PHE 386 N -2.87 3.01 0.06 0.00 0.40 -1.26 -4.72 117.98 112.61 1cwt s PHE 386 Ca 0.54 1.15 -0.15 0.00 -0.60 0.00 0.00 56.93 57.86 1cwt s PHE 386 Cb -0.10 -3.78 -0.21 0.00 0.51 0.00 0.00 43.02 39.44 1cwt s PHE 386 CO 0.42 -2.43 1.20 1.25 0.70 0.00 0.00 175.22 176.37 1cwt h LEU 387 N 4.50 0.81-10.16 -0.37 5.85 -2.00 -3.47 115.31 110.48 1cwt h LEU 387 Ca -0.47 -0.70 -0.50 0.00 0.84 0.00 0.00 57.88 57.04 1cwt h LEU 387 Cb 1.22 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1cwt h LEU 387 CO 0.74 1.40 -0.08 -0.76 -0.34 0.00 0.00 178.44 179.40 1cwt s LEU 388 N -8.30 3.96 0.17 2.25 1.43 -1.26 -5.05 118.68 111.87 1cwt s LEU 388 Ca -0.11 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 53.44 1cwt s LEU 388 Cb 0.06 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.60 1cwt s LEU 388 CO 0.89 -0.30 1.14 -1.10 0.23 0.00 0.00 176.35 177.21 1cwt s GLN 389 N -3.91 4.54 0.12 1.70 -0.21 -1.26 -5.03 119.66 115.61 1cwt s GLN 389 Ca 0.45 1.78 0.07 0.00 0.02 0.00 0.00 55.36 57.68 1cwt s GLN 389 Cb -0.10 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 1cwt s GLN 389 CO 0.33 -0.02 -0.08 0.95 -2.12 0.00 0.00 175.29 174.35 1cwt s THR 390 N -0.03 3.44 0.50 -0.19 -4.23 -1.26 -4.71 115.64 109.16 1cwt s THR 390 Ca 0.52 -1.32 0.05 0.00 -1.18 0.00 0.00 61.69 59.76 1cwt s THR 390 Cb -0.30 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1cwt s THR 390 CO 0.35 0.06 0.28 0.68 -0.54 0.00 0.00 174.62 175.45 1cwt s VAL 391 N -1.35 1.82 0.19 2.29 -7.23 0.33 -4.99 120.40 111.47 1cwt s VAL 391 Ca 0.23 -1.61 -0.21 0.00 -1.81 0.00 0.00 61.98 58.58 1cwt s VAL 391 Cb -0.11 -2.43 -0.08 0.00 0.56 0.00 0.00 36.38 34.32 1cwt s VAL 391 CO 0.15 0.00 0.72 -0.62 -0.31 0.00 0.00 175.10 175.04 1cwt s ASP 392 N -4.11 7.15 0.17 4.85 2.15 -1.26 -4.09 116.67 121.53 1cwt s ASP 392 Ca 0.33 1.47 -0.05 0.00 0.43 0.00 0.00 52.55 54.72 1cwt s ASP 392 Cb -0.00 -2.44 -0.02 0.00 -0.30 0.00 0.00 42.92 40.16 1cwt s ASP 392 CO 0.19 0.11 0.21 -0.83 -0.17 0.00 0.00 175.17 174.68 1cwt s GLY 393 N -1.44 0.87 0.23 2.66 0.00 -1.26 -4.99 107.32 103.39 1cwt s GLY 393 Ca 0.39 -1.25 -0.07 0.00 0.00 0.00 0.00 44.72 43.79 1cwt s GLY 393 CO 0.22 -1.10 1.76 1.70 0.00 0.00 0.00 173.10 175.69 1cwt h LYS 394 N 2.61 0.52 -5.80 2.90 3.64 -1.97 -3.36 116.57 115.11 1cwt h LYS 394 Ca -0.33 -0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.40 1cwt h LYS 394 Cb 1.23 -0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 32.81 1cwt h LYS 394 CO 0.51 0.34 0.54 -1.01 -2.27 0.00 0.00 179.45 177.56 1cwt s HIS 395 N -6.05 2.81 0.60 1.91 3.76 -1.26 -4.90 115.29 112.16 1cwt s HIS 395 Ca -0.13 -0.05 0.29 0.00 -0.15 0.00 0.00 55.06 55.02 1cwt s HIS 395 Cb 0.18 -4.05 1.59 0.00 1.11 0.00 0.00 32.58 31.42 1cwt s HIS 395 CO 0.76 -1.34 1.99 1.96 -0.85 0.00 0.00 174.74 177.26 1cwt h GLN 396 N 9.30 0.00 -0.60 1.40 1.08 -2.04 -1.49 115.11 122.76 1cwt h GLN 396 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1cwt h GLN 396 Cb 1.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1cwt h GLN 396 CO 1.08 0.00 0.00 -0.40 -0.95 0.00 0.00 178.83 178.56 1cwt n ASP 397 N -3.61 4.35 -4.63 1.46 5.75 -1.26 -4.95 116.55 113.67 1cwt n ASP 397 Ca 0.04 -2.35 -0.23 0.00 -0.01 0.00 0.00 54.79 52.23 1cwt n ASP 397 Cb 0.48 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.97 1cwt n ASP 397 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1cwt s LEU 398 N -1.66 3.14 -0.22 -2.12 1.43 -0.56 -5.12 118.68 113.58 1cwt s LEU 398 Ca 0.47 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 1cwt s LEU 398 Cb 0.29 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1cwt s LEU 398 CO 0.24 0.02 0.08 -0.54 0.23 0.00 0.00 176.35 176.37 1cwt s LYS 399 N -3.57 3.85 0.03 1.70 -0.14 -1.26 -4.90 119.74 115.45 1cwt s LYS 399 Ca 0.31 -0.39 0.06 0.00 -1.36 0.00 0.00 55.97 54.58 1cwt s LYS 399 Cb -0.07 -3.29 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 1cwt s LYS 399 CO 0.19 0.06 -0.15 0.71 -0.76 0.00 0.00 175.35 175.40 1cwt s TYR 400 N 0.96 2.63 0.17 3.18 1.51 -1.26 -0.62 117.35 123.93 1cwt s TYR 400 Ca 0.04 -0.21 0.11 0.00 -1.01 0.00 0.00 57.07 56.00 1cwt s TYR 400 Cb -0.14 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1cwt s TYR 400 CO 0.03 0.27 -0.24 0.96 -1.11 0.00 0.00 175.55 175.46 1cwt s ILE 401 N -0.93 2.25 0.54 2.71 -4.36 -0.55 -0.51 121.20 120.35 1cwt s ILE 401 Ca 0.15 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 58.60 1cwt s ILE 401 Cb -0.11 -2.03 0.02 0.00 1.25 0.00 0.00 42.46 41.59 1cwt s ILE 401 CO 0.05 -0.07 0.79 -0.94 0.24 0.00 0.00 174.94 175.01 1cwt s SER 402 N -2.46 5.48 0.57 4.36 1.04 -1.26 -0.57 113.70 120.86 1cwt s SER 402 Ca 0.18 0.30 0.26 0.00 0.48 0.00 0.00 55.95 57.16 1cwt s SER 402 Cb -0.08 -1.31 1.65 0.00 0.10 0.00 0.00 66.02 66.38 1cwt s SER 402 CO 0.08 -1.02 2.21 -0.65 0.98 0.00 0.00 173.24 174.84 1cwt h PRO 403 N 0.06 0.00 -0.11 4.02 0.11 -1.97 -2.02 132.00 132.10 1cwt h PRO 403 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1cwt h PRO 403 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1cwt h PRO 403 CO 0.57 0.01 0.02 1.49 -0.21 0.00 0.00 178.00 179.88 1cwt h GLU 404 N 0.00 0.17 -0.46 1.05 4.81 -1.99 -1.42 114.58 116.74 1cwt h GLU 404 Ca -0.00 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1cwt h GLU 404 Cb 0.03 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1cwt h GLU 404 CO 0.00 0.35 0.03 1.15 -0.73 0.00 0.00 179.01 179.82 1cwt h THR 405 N -0.03 1.23 -0.98 0.32 2.02 -1.79 -1.35 112.91 112.32 1cwt h THR 405 Ca 0.03 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1cwt h THR 405 Cb 0.26 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 1cwt h THR 405 CO 0.00 0.32 0.65 -0.03 0.37 0.00 0.00 175.52 176.83 1cwt h MET 406 N 0.70 1.23 0.00 6.66 1.85 -1.07 -1.43 114.93 122.87 1cwt h MET 406 Ca 0.14 -0.07 -0.12 0.00 -0.61 0.00 0.00 59.70 59.04 1cwt h MET 406 Cb 0.38 -0.28 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 1cwt h MET 406 CO 0.01 0.82 -0.58 0.28 -0.40 0.00 0.00 176.91 177.03 1cwt h VAL 407 N 1.27 1.36 -0.83 -5.77 2.07 -0.50 -2.65 116.25 111.19 1cwt h VAL 407 Ca 0.38 -2.04 0.02 0.00 0.82 0.00 0.00 66.70 65.89 1cwt h VAL 407 Cb -0.05 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1cwt h VAL 407 CO -0.11 0.57 0.54 0.00 0.02 0.00 0.00 177.57 178.59 1cwt h ALA 408 N 1.42 1.07 -0.25 1.67 0.00 -0.20 -1.03 119.26 121.93 1cwt h ALA 408 Ca -0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1cwt h ALA 408 Cb 1.07 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1cwt h ALA 408 CO 0.08 0.41 -0.32 -0.07 0.00 0.00 0.00 179.25 179.35 1cwt h LEU 409 N 1.08 0.72 -1.78 0.00 3.38 -1.29 0.14 115.31 117.57 1cwt h LEU 409 Ca 0.32 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1cwt h LEU 409 Cb -0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1cwt h LEU 409 CO -0.09 1.08 -0.16 -0.07 0.09 0.00 0.00 178.44 179.29 1cwt h LEU 410 N 0.38 0.00 -1.83 1.67 3.38 -1.15 -1.57 115.31 116.20 1cwt h LEU 410 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1cwt h LEU 410 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1cwt h LEU 410 CO 0.08 0.16 0.00 0.35 0.09 0.00 0.00 178.44 179.11 1cwt n THR 411 N -4.01 0.64 -1.01 0.22 -2.24 -0.42 -4.93 114.28 102.53 1cwt n THR 411 Ca -0.02 -0.66 -0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1cwt n THR 411 Cb 0.24 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1cwt n THR 411 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cwt n GLY 412 N 1.30 0.46 0.27 3.38 0.00 -0.59 -4.92 105.19 105.08 1cwt n GLY 412 Ca 0.17 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.63 1cwt n GLY 412 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cwt h LYS 413 N 0.36 0.00 -0.25 1.61 6.56 -1.16 -2.62 116.57 121.07 1cwt h LYS 413 Ca -0.01 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 1cwt h LYS 413 Cb 0.05 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 1cwt h LYS 413 CO 0.01 0.02 -0.01 1.19 -2.06 0.00 0.00 179.45 178.60 1cwt n PHE 414 N -4.28 0.87 0.33 -1.35 3.72 -1.26 -4.67 117.46 110.83 1cwt n PHE 414 Ca -0.03 -1.05 0.19 0.00 -0.05 0.00 0.00 57.45 56.51 1cwt n PHE 414 Cb 0.10 -0.34 1.04 0.00 -0.94 0.00 0.00 39.48 39.34 1cwt n PHE 414 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1cwt h SER 415 N 1.41 0.00 0.37 4.37 4.64 -1.71 0.34 113.55 122.97 1cwt h SER 415 Ca 0.05 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.22 1cwt h SER 415 Cb 1.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 1cwt h SER 415 CO 0.24 0.00 -0.63 0.78 -0.87 0.00 0.00 176.83 176.35 1cwt h ASN 416 N 0.00 0.28 0.00 4.97 2.35 -1.84 -3.38 115.58 117.96 1cwt h ASN 416 Ca 0.00 -0.17 -0.21 0.00 -0.55 0.00 0.00 56.30 55.37 1cwt h ASN 416 Cb 0.28 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1cwt h ASN 416 CO 0.00 0.84 -1.79 -0.38 -1.65 0.00 0.00 177.43 174.45 1cwt n ILE 417 N -3.86 0.79 -3.23 2.81 5.41 0.09 -4.90 119.36 116.48 1cwt n ILE 417 Ca -0.03 -0.35 -0.40 0.00 1.00 0.00 0.00 62.75 62.97 1cwt n ILE 417 Cb 0.63 -0.92 -0.08 0.00 -0.71 0.00 0.00 39.64 38.57 1cwt n ILE 417 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1cwt s VAL 418 N -2.28 5.05 -0.02 1.39 1.01 0.97 -1.09 120.40 125.43 1cwt s VAL 418 Ca -0.15 0.76 -0.21 0.00 0.00 0.00 0.00 61.98 62.38 1cwt s VAL 418 Cb 0.04 -3.87 -0.27 0.00 0.00 0.00 0.00 36.38 32.28 1cwt s VAL 418 CO 0.36 0.00 1.00 -0.78 0.00 0.00 0.00 175.10 175.68 1cwt h ASP 419 N 8.13 0.49 -4.07 3.32 3.58 -0.25 -3.42 116.42 124.20 1cwt h ASP 419 Ca -0.29 -0.86 -0.13 0.00 0.42 0.00 0.00 57.03 56.18 1cwt h ASP 419 Cb 1.14 -0.16 -0.24 0.00 1.72 0.00 0.00 39.33 41.79 1cwt h ASP 419 CO 0.73 1.30 -0.28 -0.54 -2.88 0.00 0.00 179.24 177.57 1cwt s LYS 420 N -2.82 0.47 -0.05 0.28 1.02 -1.16 -4.97 119.74 112.52 1cwt s LYS 420 Ca -0.13 0.38 -0.01 0.00 0.02 0.00 0.00 55.97 56.23 1cwt s LYS 420 Cb 0.02 0.23 0.03 0.00 -0.52 0.00 0.00 37.83 37.58 1cwt s LYS 420 CO 0.83 -0.08 0.02 -0.59 -0.92 0.00 0.00 175.35 174.61 1cwt s PHE 421 N -0.09 0.36 -0.18 3.18 -0.71 -1.26 -1.19 117.98 118.09 1cwt s PHE 421 Ca -0.02 0.02 -0.11 0.00 -1.04 0.00 0.00 56.93 55.78 1cwt s PHE 421 Cb -0.03 -0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 41.18 1cwt s PHE 421 CO 0.01 -0.21 0.17 0.08 -1.34 0.00 0.00 175.22 173.94 1cwt s VAL 422 N 1.63 5.39 -0.31 -2.49 1.01 -0.59 -4.98 120.40 120.06 1cwt s VAL 422 Ca -0.01 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1cwt s VAL 422 Cb -0.13 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1cwt s VAL 422 CO -0.03 0.44 0.23 -0.63 0.00 0.00 0.00 175.10 175.10 1cwt s ILE 423 N 0.29 5.29 -0.42 2.22 1.01 -1.26 -1.41 121.20 126.92 1cwt s ILE 423 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 1cwt s ILE 423 Cb -0.12 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.78 1cwt s ILE 423 CO -0.00 0.11 0.29 -0.69 0.00 0.00 0.00 174.94 174.66 1cwt s VAL 424 N 1.76 4.78 -0.38 2.92 1.01 0.74 -1.22 120.40 130.01 1cwt s VAL 424 Ca 0.07 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.79 1cwt s VAL 424 Cb -0.17 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1cwt s VAL 424 CO 0.11 -0.43 0.66 -0.62 0.00 0.00 0.00 175.10 174.81 1cwt s ASP 425 N 2.06 6.41 -0.07 3.32 -1.08 -0.35 -2.02 116.67 124.94 1cwt s ASP 425 Ca 0.03 0.05 0.10 0.00 -0.52 0.00 0.00 52.55 52.21 1cwt s ASP 425 Cb -0.22 -2.33 0.40 0.00 -1.46 0.00 0.00 42.92 39.31 1cwt s ASP 425 CO 0.06 -0.66 1.23 0.00 0.52 0.00 0.00 175.17 176.32 1cwt s ARG 427 N -1.72 3.02 0.54 0.00 0.52 -1.26 -4.55 118.95 115.49 1cwt s ARG 427 Ca 0.28 0.74 -0.20 0.00 -0.52 0.00 0.00 55.73 56.03 1cwt s ARG 427 Cb 0.18 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.58 1cwt s ARG 427 CO 0.13 -0.99 1.13 0.71 0.02 0.00 0.00 175.30 176.30 1cwt s TYR 428 N -3.17 2.70 0.32 -0.53 2.02 -1.26 -4.40 117.35 113.02 1cwt s TYR 428 Ca 0.57 1.55 0.09 0.00 -0.37 0.00 0.00 57.07 58.91 1cwt s TYR 428 Cb -0.12 -3.28 0.90 0.00 -0.40 0.00 0.00 41.96 39.06 1cwt s TYR 428 CO 0.54 -1.53 1.68 -1.35 -1.57 0.00 0.00 175.55 173.32 1cwt h PRO 429 N 1.27 0.35 -0.58 -1.71 0.11 -1.98 -0.94 132.00 128.52 1cwt h PRO 429 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1cwt h PRO 429 Cb 1.26 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1cwt h PRO 429 CO 0.57 0.23 0.36 0.10 -0.21 0.00 0.00 178.00 179.05 1cwt h TYR 430 N 0.36 0.75 -0.27 0.65 -0.00 -1.97 -1.20 116.97 115.29 1cwt h TYR 430 Ca 0.65 0.01 0.04 0.00 -0.00 0.00 0.00 58.73 59.42 1cwt h TYR 430 Cb 1.36 -0.25 -0.03 0.00 -0.00 0.00 0.00 36.73 37.81 1cwt h TYR 430 CO -0.09 0.50 0.06 0.93 -0.00 0.00 0.00 178.16 179.56 1cwt h GLU 431 N 0.78 0.15 -0.25 0.10 5.08 -1.44 -2.39 114.58 116.61 1cwt h GLU 431 Ca 0.21 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1cwt h GLU 431 Cb -0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1cwt h GLU 431 CO -0.04 0.10 0.12 -0.92 -1.00 0.00 0.00 179.01 177.27 1cwt h TYR 432 N 0.16 0.36 -0.44 4.33 3.20 -1.21 -2.60 116.97 120.77 1cwt h TYR 432 Ca 0.12 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.09 1cwt h TYR 432 Cb 0.13 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1cwt h TYR 432 CO -0.16 0.34 0.31 0.93 -1.64 0.00 0.00 178.16 177.94 1cwt h GLU 433 N 0.27 0.06 0.00 1.82 5.08 -0.91 -0.67 114.58 120.23 1cwt h GLU 433 Ca 0.09 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1cwt h GLU 433 Cb 0.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1cwt h GLU 433 CO -0.01 0.04 0.00 0.78 -1.00 0.00 0.00 179.01 178.82 1cwt h GLY 434 N 0.06 0.00 0.00 -3.84 0.00 -1.03 -3.43 103.07 94.84 1cwt h GLY 434 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1cwt h GLY 434 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1cwt n GLY 435 N -0.16 3.47 3.22 4.60 0.00 -0.26 -3.86 105.19 112.21 1cwt n GLY 435 Ca 0.01 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 1cwt n GLY 435 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1cwt s HIS 436 N 0.00 1.32 0.16 1.61 -3.43 -0.86 -4.68 115.29 109.41 1cwt s HIS 436 Ca 0.00 -1.45 -0.30 0.00 -0.80 0.00 0.00 55.06 52.51 1cwt s HIS 436 Cb 0.00 -0.61 -0.07 0.00 -1.43 0.00 0.00 32.58 30.47 1cwt s HIS 436 CO 0.00 -0.69 1.14 0.42 -2.00 0.00 0.00 174.74 173.61 1cwt s ILE 437 N -3.97 3.83 0.22 -5.38 1.01 -1.26 -0.63 121.20 115.02 1cwt s ILE 437 Ca 0.39 1.52 -0.32 0.00 0.00 0.00 0.00 60.65 62.24 1cwt s ILE 437 Cb 0.06 -3.97 -0.14 0.00 0.01 0.00 0.00 42.46 38.42 1cwt s ILE 437 CO 0.16 0.23 1.28 0.29 0.00 0.00 0.00 174.94 176.90 1cwt n LYS 438 N 2.68 1.66 0.00 2.79 5.02 -0.34 -1.80 118.16 128.17 1cwt n LYS 438 Ca 0.04 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1cwt n LYS 438 Cb 0.46 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1cwt n LYS 438 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1cwt n THR 439 N 1.60 0.00 -1.94 -0.18 -2.24 -1.26 -5.04 114.28 105.22 1cwt n THR 439 Ca 0.13 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.56 1cwt n THR 439 Cb 0.29 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.56 1cwt n THR 439 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cwt s ALA 440 N -2.20 2.50 -0.08 6.98 0.00 -0.75 -4.66 121.76 123.56 1cwt s ALA 440 Ca 0.00 0.88 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 1cwt s ALA 440 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1cwt s ALA 440 CO 0.00 -1.20 -0.04 0.54 0.00 0.00 0.00 175.76 175.06 1cwt s VAL 441 N -1.80 3.96 -0.30 0.00 0.11 -0.36 -4.97 120.40 117.04 1cwt s VAL 441 Ca 0.74 -0.38 -0.15 0.00 -2.93 0.00 0.00 61.98 59.26 1cwt s VAL 441 Cb -0.27 -2.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.91 1cwt s VAL 441 CO 0.35 0.60 0.39 0.21 -3.33 0.00 0.00 175.10 173.32 1cwt s ASN 442 N -0.84 6.24 -0.46 3.54 3.04 -1.26 -1.21 114.94 123.99 1cwt s ASN 442 Ca 0.13 0.10 0.06 0.00 0.04 0.00 0.00 52.86 53.18 1cwt s ASN 442 Cb -0.11 -2.21 0.20 0.00 -1.54 0.00 0.00 41.25 37.59 1cwt s ASN 442 CO 0.02 -0.27 0.45 0.18 -3.04 0.00 0.00 177.10 174.44 1cwt n LEU 443 N 5.40 0.44 0.09 3.21 4.77 -0.91 -4.97 117.00 125.03 1cwt n LEU 443 Ca -0.08 -4.65 -0.06 0.00 -0.03 0.00 0.00 56.01 51.19 1cwt n LEU 443 Cb 0.50 0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.99 1cwt n LEU 443 CO 0.39 1.93 0.37 1.55 -1.33 0.00 0.00 177.39 180.30 1cwt h PRO 444 N 4.99 0.17 -5.68 3.23 0.13 -1.77 -3.41 132.00 129.66 1cwt h PRO 444 Ca 0.19 -0.15 -0.66 0.00 -0.87 0.00 0.00 66.00 64.51 1cwt h PRO 444 Cb 0.86 0.03 -0.07 0.00 0.13 0.00 0.00 31.00 31.96 1cwt h PRO 444 CO 0.47 0.83 -0.43 -0.51 -0.23 0.00 0.00 178.00 178.13 1cwt s LEU 445 N -7.62 4.39 0.26 1.56 1.43 -1.26 -4.96 118.68 112.48 1cwt s LEU 445 Ca -0.03 0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 53.57 1cwt s LEU 445 Cb 0.11 -2.16 0.52 0.00 0.03 0.00 0.00 46.19 44.69 1cwt s LEU 445 CO 0.81 0.38 1.66 -0.33 0.23 0.00 0.00 176.35 179.09 1cwt h GLU 446 N 5.06 0.19 -0.32 1.70 5.08 -1.99 -1.43 114.58 122.86 1cwt h GLU 446 Ca -0.53 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 1cwt h GLU 446 Cb 1.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1cwt h GLU 446 CO 0.60 0.12 0.16 0.07 -1.00 0.00 0.00 179.01 178.96 1cwt h ARG 447 N 0.19 0.47 -0.42 2.33 0.11 -1.98 -1.19 114.38 113.89 1cwt h ARG 447 Ca 0.45 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1cwt h ARG 447 Cb 0.82 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.79 1cwt h ARG 447 CO -0.60 0.43 0.28 -0.44 0.10 0.00 0.00 179.97 179.73 1cwt h ASP 448 N 0.39 0.49 -0.36 0.08 3.32 -1.69 -1.21 116.42 117.44 1cwt h ASP 448 Ca 0.11 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1cwt h ASP 448 Cb 0.11 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1cwt h ASP 448 CO -0.01 0.35 0.19 0.00 -1.72 0.00 0.00 179.24 178.05 1cwt h ALA 449 N 1.15 0.45 -0.75 3.45 0.00 -1.16 0.15 119.26 122.56 1cwt h ALA 449 Ca 0.15 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1cwt h ALA 449 Cb -0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 1cwt h ALA 449 CO -0.03 -0.17 0.44 1.49 0.00 0.00 0.00 179.25 180.98 1cwt h GLU 450 N 0.39 0.77 -0.01 0.00 4.81 -0.94 -0.74 114.58 118.86 1cwt h GLU 450 Ca 0.15 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1cwt h GLU 450 Cb 0.04 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1cwt h GLU 450 CO -0.09 0.51 -0.00 1.03 -0.73 0.00 0.00 179.01 179.72 1cwt h SER 451 N 0.79 0.01 -0.49 1.04 0.87 -0.50 -0.10 113.55 115.17 1cwt h SER 451 Ca 0.34 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1cwt h SER 451 Cb 0.21 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1cwt h SER 451 CO -0.19 0.41 0.23 0.15 -0.53 0.00 0.00 176.83 176.90 1cwt h PHE 452 N -0.38 0.71 0.08 2.24 3.04 -0.54 -3.16 116.94 118.93 1cwt h PHE 452 Ca 0.00 -0.04 -0.37 0.00 3.98 0.00 0.00 57.97 61.55 1cwt h PHE 452 Cb 0.40 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1cwt h PHE 452 CO 0.06 0.57 -2.11 1.28 -2.02 0.00 0.00 178.31 176.09 1cwt n LEU 453 N -4.61 2.51 -0.01 0.59 4.77 -0.30 -4.67 117.00 115.28 1cwt n LEU 453 Ca 0.02 0.13 0.09 0.00 -0.03 0.00 0.00 56.01 56.21 1cwt n LEU 453 Cb 0.12 -0.92 -0.12 0.00 -2.33 0.00 0.00 43.42 40.17 1cwt n LEU 453 CO 0.37 0.83 -0.46 0.18 -1.33 0.00 0.00 177.39 176.98 1cwt n LEU 454 N -3.37 0.31 0.02 2.23 4.77 -0.07 -3.74 117.00 117.15 1cwt n LEU 454 Ca -0.34 -0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 55.33 1cwt n LEU 454 Cb 1.04 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.04 1cwt n LEU 454 CO 0.39 0.08 0.53 0.11 -1.33 0.00 0.00 177.39 177.17 1cwt h LYS 455 N 0.00 -0.11 -3.42 3.23 1.57 -1.48 -3.39 116.57 112.97 1cwt h LYS 455 Ca 0.00 0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 58.17 1cwt h LYS 455 Cb 0.67 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.60 1cwt h LYS 455 CO 0.00 0.37 -0.72 0.45 -0.57 0.00 0.00 179.45 178.98 1cwt s SER 456 N -5.59 4.01 0.61 0.86 0.15 -1.26 -5.11 113.70 107.36 1cwt s SER 456 Ca -0.15 -2.41 -0.19 0.00 0.70 0.00 0.00 55.95 53.90 1cwt s SER 456 Cb 0.01 -1.19 -0.03 0.00 -1.71 0.00 0.00 66.02 63.11 1cwt s SER 456 CO 0.60 -0.31 1.27 -2.65 1.20 0.00 0.00 173.24 173.35 1cwt n PRO 457 N 3.86 1.27 -2.94 5.44 -0.02 -1.25 -4.78 135.00 136.58 1cwt n PRO 457 Ca 0.05 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 1cwt n PRO 457 Cb 0.37 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 1cwt n PRO 457 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1cwt s ILE 458 N -1.37 4.66 0.07 4.25 1.01 -1.26 -5.05 121.20 123.52 1cwt s ILE 458 Ca 0.78 0.66 0.03 0.00 0.00 0.00 0.00 60.65 62.12 1cwt s ILE 458 Cb -0.40 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.74 1cwt s ILE 458 CO 0.44 -0.61 0.06 0.00 0.00 0.00 0.00 174.94 174.83 1cwt s ALA 459 N 3.27 3.50 0.52 9.38 0.00 -1.26 -4.99 121.76 132.18 1cwt s ALA 459 Ca 0.31 -1.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 1cwt s ALA 459 Cb -0.12 -1.39 -0.07 0.00 0.00 0.00 0.00 23.12 21.54 1cwt s ALA 459 CO 0.21 0.73 1.06 -2.14 0.00 0.00 0.00 175.76 175.62 1cwt s PRO 460 N -2.30 3.60 0.49 0.00 0.02 -1.26 -4.89 135.00 130.65 1cwt s PRO 460 Ca 0.28 1.38 0.30 0.00 0.02 0.00 0.00 61.00 62.98 1cwt s PRO 460 Cb -0.12 -2.06 1.05 0.00 0.02 0.00 0.00 34.50 33.38 1cwt s PRO 460 CO 0.20 -0.60 1.86 0.00 -0.33 0.00 0.00 177.00 178.13 1cwt s SER 462 N -5.66 2.95 0.32 0.00 0.15 -1.26 -5.02 113.70 105.17 1cwt s SER 462 Ca 0.03 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.18 1cwt s SER 462 Cb 0.08 -0.28 0.54 0.00 -1.71 0.00 0.00 66.02 64.64 1cwt s SER 462 CO 0.57 0.26 1.85 0.25 1.20 0.00 0.00 173.24 177.36 1cwt h LEU 463 N 5.05 0.55 -0.44 3.45 6.46 -2.03 -3.11 115.31 125.24 1cwt h LEU 463 Ca -0.44 -0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.14 1cwt h LEU 463 Cb 1.14 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1cwt h LEU 463 CO 0.45 0.62 0.01 0.44 -0.62 0.00 0.00 178.44 179.34 1cwt h ASP 464 N 0.55 0.75 -4.27 1.25 5.19 -1.98 -3.46 116.42 114.46 1cwt h ASP 464 Ca 0.12 -0.30 -0.49 0.00 -0.62 0.00 0.00 57.03 55.73 1cwt h ASP 464 Cb 0.36 -0.20 0.12 0.00 0.18 0.00 0.00 39.33 39.79 1cwt h ASP 464 CO 0.01 0.87 0.33 -0.54 -3.12 0.00 0.00 179.24 176.79 1cwt s LYS 465 N -5.02 2.15 0.35 3.56 1.02 -1.18 -5.05 119.74 115.58 1cwt s LYS 465 Ca -0.13 0.78 0.08 0.00 0.02 0.00 0.00 55.97 56.72 1cwt s LYS 465 Cb 0.11 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1cwt s LYS 465 CO 0.80 -1.61 0.13 1.03 -0.92 0.00 0.00 175.35 174.79 1cwt s ARG 466 N -5.08 2.31 -0.11 1.68 0.52 -0.25 -4.83 118.95 113.19 1cwt s ARG 466 Ca 0.61 -1.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.22 1cwt s ARG 466 Cb -0.15 -2.11 -0.00 0.00 0.52 0.00 0.00 34.95 33.21 1cwt s ARG 466 CO 0.55 0.07 -0.22 0.54 0.02 0.00 0.00 175.30 176.26 1cwt s VAL 467 N -2.47 2.21 0.02 3.52 0.11 -1.26 0.51 120.40 123.04 1cwt s VAL 467 Ca 0.38 -0.96 0.02 0.00 -2.93 0.00 0.00 61.98 58.50 1cwt s VAL 467 Cb -0.01 -1.86 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 1cwt s VAL 467 CO 0.22 0.55 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.83 1cwt s ILE 468 N 0.45 0.61 -0.06 7.04 1.01 -0.33 -4.60 121.20 125.31 1cwt s ILE 468 Ca -0.15 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1cwt s ILE 468 Cb -0.17 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 1cwt s ILE 468 CO 0.06 -0.12 -0.16 -0.76 0.00 0.00 0.00 174.94 173.97 1cwt s LEU 469 N -0.94 2.62 -0.11 2.97 1.43 -1.12 -1.55 118.68 122.00 1cwt s LEU 469 Ca -0.03 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1cwt s LEU 469 Cb -0.07 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.64 1cwt s LEU 469 CO 0.00 0.32 -0.12 -0.63 0.23 0.00 0.00 176.35 176.15 1cwt s ILE 470 N -0.56 1.27 -0.04 -0.59 1.01 -0.50 -1.29 121.20 120.51 1cwt s ILE 470 Ca 0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1cwt s ILE 470 Cb -0.11 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1cwt s ILE 470 CO 0.01 0.40 0.04 -0.36 0.00 0.00 0.00 174.94 175.03 1cwt s PHE 471 N 1.21 3.21 0.15 3.97 0.40 -0.01 -0.19 117.98 126.72 1cwt s PHE 471 Ca -0.03 0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 56.28 1cwt s PHE 471 Cb -0.14 -1.75 0.05 0.00 0.51 0.00 0.00 43.02 41.70 1cwt s PHE 471 CO -0.04 0.51 0.53 -3.38 0.70 0.00 0.00 175.22 173.54 1cwt s HIS 472 N -1.06 -0.40 0.00 0.36 -3.43 -0.86 -1.41 115.29 108.50 1cwt s HIS 472 Ca 0.18 0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 1cwt s HIS 472 Cb -0.12 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 1cwt s HIS 472 CO 0.09 -0.81 0.00 0.00 -2.00 0.00 0.00 174.74 172.02 1cwt h GLU 474 N 0.00 0.02 -0.00 0.00 4.81 -1.94 -1.32 114.58 116.15 1cwt h GLU 474 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1cwt h GLU 474 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1cwt h GLU 474 CO 0.00 1.02 -0.15 1.19 -0.73 0.00 0.00 179.01 180.34 1cwt n PHE 475 N -4.55 0.00 -3.50 0.92 3.72 -1.26 -1.94 117.46 110.85 1cwt n PHE 475 Ca -0.13 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.02 1cwt n PHE 475 Cb 0.53 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.12 1cwt n PHE 475 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1cwt n SER 476 N -0.43 -5.82 -0.08 4.37 7.64 -1.26 -3.89 113.62 114.15 1cwt n SER 476 Ca 0.02 -0.51 -0.10 0.00 1.01 0.00 0.00 58.87 59.29 1cwt n SER 476 Cb 0.13 -4.63 -0.08 0.00 -1.01 0.00 0.00 64.21 58.61 1cwt n SER 476 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1cwt n SER 477 N -2.80 2.48 0.06 6.43 2.88 -1.26 -4.77 113.62 116.64 1cwt n SER 477 Ca -0.02 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1cwt n SER 477 Cb 0.57 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1cwt n SER 477 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1cwt n GLU 478 N -2.83 0.00 0.07 -1.46 4.71 -1.26 -4.79 120.64 115.07 1cwt n GLU 478 Ca -0.27 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 56.77 1cwt n GLU 478 Cb 0.84 -0.29 -0.05 0.00 -1.01 0.00 0.00 31.44 30.93 1cwt n GLU 478 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1cwt h ARG 479 N 0.00 -0.28 0.57 3.49 3.08 -1.94 -2.52 114.38 116.78 1cwt h ARG 479 Ca 0.00 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1cwt h ARG 479 Cb 0.00 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.12 1cwt h ARG 479 CO 0.00 -0.19 -0.28 0.78 -1.07 0.00 0.00 179.97 179.21 1cwt h GLY 480 N -0.29 -0.81 0.54 0.04 0.00 -1.89 -2.31 103.07 98.36 1cwt h GLY 480 Ca 0.04 0.30 0.12 0.00 0.00 0.00 0.00 47.33 47.79 1cwt h GLY 480 CO -0.14 -0.29 0.60 -2.55 0.00 0.00 0.00 176.54 174.16 1cwt h PRO 481 N -0.88 0.84 -0.29 4.80 0.11 -1.86 -0.62 132.00 134.10 1cwt h PRO 481 Ca -0.08 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 1cwt h PRO 481 Cb 0.63 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1cwt h PRO 481 CO 0.13 0.56 0.04 0.00 -0.21 0.00 0.00 178.00 178.52 1cwt h ARG 482 N 0.87 0.49 -0.67 1.05 3.08 -1.39 -0.97 114.38 116.85 1cwt h ARG 482 Ca 0.46 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 1cwt h ARG 482 Cb 0.55 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1cwt h ARG 482 CO -0.23 0.60 0.40 1.98 -1.07 0.00 0.00 179.97 181.66 1cwt h MET 483 N 0.31 0.90 -0.06 0.04 4.05 -1.02 0.68 114.93 119.83 1cwt h MET 483 Ca 0.09 -0.08 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1cwt h MET 483 Cb 0.36 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 1cwt h MET 483 CO 0.01 0.64 -0.13 0.00 0.23 0.00 0.00 176.91 177.65 1cwt h ARG 485 N -0.19 0.55 0.01 0.00 3.08 -0.60 -2.09 114.38 115.13 1cwt h ARG 485 Ca 0.07 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cwt h ARG 485 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1cwt h ARG 485 CO -0.18 0.44 -0.00 0.35 -1.07 0.00 0.00 179.97 179.51 1cwt h PHE 486 N 0.55 -0.01 -0.57 3.04 3.57 -0.23 -1.82 116.94 121.48 1cwt h PHE 486 Ca 0.14 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1cwt h PHE 486 Cb 0.08 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1cwt h PHE 486 CO 0.00 0.38 0.38 0.82 -2.23 0.00 0.00 178.31 177.66 1cwt h ILE 487 N -0.40 1.08 -0.50 1.41 1.08 -1.08 -1.16 117.51 117.94 1cwt h ILE 487 Ca -0.00 -0.23 -0.05 0.00 -0.39 0.00 0.00 64.86 64.19 1cwt h ILE 487 Cb 0.40 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 1cwt h ILE 487 CO 0.00 0.12 0.12 -0.09 -0.69 0.00 0.00 178.15 177.62 1cwt h ARG 488 N 0.67 0.80 -0.69 2.37 9.65 -1.23 0.99 114.38 126.93 1cwt h ARG 488 Ca 0.23 -0.19 0.07 0.00 -1.10 0.00 0.00 59.98 58.99 1cwt h ARG 488 Cb 0.07 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.49 1cwt h ARG 488 CO -0.06 0.77 0.37 1.05 2.80 0.00 0.00 179.97 184.90 1cwt h GLU 489 N 0.68 0.65 -0.09 0.20 4.11 -0.36 -1.05 114.58 118.73 1cwt h GLU 489 Ca 0.16 -0.04 -0.17 0.00 0.07 0.00 0.00 59.36 59.38 1cwt h GLU 489 Cb 0.33 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1cwt h GLU 489 CO 0.00 0.43 -0.67 0.00 0.07 0.00 0.00 179.01 178.84 1cwt h ARG 490 N 0.67 0.37 -0.56 1.06 2.47 -1.08 -1.49 114.38 115.82 1cwt h ARG 490 Ca 0.32 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1cwt h ARG 490 Cb 0.24 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.58 1cwt h ARG 490 CO -0.21 0.91 0.26 0.22 0.56 0.00 0.00 179.97 181.71 1cwt h ASP 491 N 0.26 0.74 -0.03 7.04 1.82 -0.16 -2.08 116.42 124.01 1cwt h ASP 491 Ca -0.02 -0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1cwt h ASP 491 Cb 1.22 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.04 1cwt h ASP 491 CO 0.11 0.68 0.02 0.03 -1.61 0.00 0.00 179.24 178.46 1cwt h ARG 492 N 0.76 0.04 -0.64 0.28 2.47 -1.14 -3.00 114.38 113.15 1cwt h ARG 492 Ca 0.19 -0.01 0.15 0.00 -1.26 0.00 0.00 59.98 59.05 1cwt h ARG 492 Cb 0.14 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 1cwt h ARG 492 CO -0.02 0.12 0.44 0.00 0.56 0.00 0.00 179.97 181.07 1cwt h ALA 493 N 0.92 2.28 -0.55 0.04 0.00 -1.05 -2.69 119.26 118.21 1cwt h ALA 493 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cwt h ALA 493 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1cwt h ALA 493 CO -0.00 -0.46 0.00 1.33 0.00 0.00 0.00 179.25 180.12 1cwt n VAL 494 N -4.43 0.95 -4.42 0.00 0.24 -0.80 -4.98 118.33 104.89 1cwt n VAL 494 Ca 0.12 -0.98 -0.21 0.00 -2.04 0.00 0.00 64.34 61.23 1cwt n VAL 494 Cb 0.55 0.54 -0.10 0.00 -1.47 0.00 0.00 33.84 33.36 1cwt n VAL 494 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1cwt s ASN 495 N -1.02 2.55 -0.13 -1.34 0.01 -1.01 -5.09 114.94 108.89 1cwt s ASN 495 Ca 0.38 -1.24 -0.23 0.00 -0.71 0.00 0.00 52.86 51.06 1cwt s ASN 495 Cb 0.20 -0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.70 1cwt s ASN 495 CO 0.26 -0.43 0.70 -1.81 -1.51 0.00 0.00 177.10 174.31 1cwt s ASP 496 N -3.43 6.88 0.23 -1.22 1.01 -1.26 -4.92 116.67 113.94 1cwt s ASP 496 Ca 0.31 1.06 -0.32 0.00 0.71 0.00 0.00 52.55 54.31 1cwt s ASP 496 Cb 0.05 -2.40 -0.13 0.00 1.01 0.00 0.00 42.92 41.45 1cwt s ASP 496 CO 0.12 -0.23 1.46 0.00 0.21 0.00 0.00 175.17 176.73 1cwt n TYR 497 N 4.52 2.25 -1.31 4.23 9.36 -1.26 -0.84 117.16 134.10 1cwt n TYR 497 Ca -0.00 0.39 -0.09 0.00 3.32 0.00 0.00 57.90 61.51 1cwt n TYR 497 Cb 0.50 -2.49 0.21 0.00 -0.63 0.00 0.00 39.34 36.93 1cwt n TYR 497 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1cwt n PRO 498 N 2.30 2.23 -1.65 2.98 -0.04 -1.26 -5.13 135.00 134.42 1cwt n PRO 498 Ca 0.12 -3.10 -0.34 0.00 -0.04 0.00 0.00 63.50 60.14 1cwt n PRO 498 Cb 0.31 -1.97 0.07 0.00 -0.04 0.00 0.00 33.50 31.87 1cwt n PRO 498 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1cwt s SER 499 N -1.98 4.72 -0.03 3.54 0.01 -0.02 -4.25 113.70 115.69 1cwt s SER 499 Ca 0.49 2.21 -0.11 0.00 1.31 0.00 0.00 55.95 59.85 1cwt s SER 499 Cb 0.43 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 64.10 1cwt s SER 499 CO 0.05 -1.90 0.24 -0.76 0.41 0.00 0.00 173.24 171.28 1cwt s LEU 500 N -4.88 1.13 0.27 2.44 1.43 -1.26 -4.54 118.68 113.27 1cwt s LEU 500 Ca 0.72 0.11 0.14 0.00 -1.03 0.00 0.00 54.13 54.07 1cwt s LEU 500 Cb -0.25 0.97 0.09 0.00 0.03 0.00 0.00 46.19 47.02 1cwt s LEU 500 CO 0.42 -0.32 1.45 1.88 0.23 0.00 0.00 176.35 180.01 1cwt h TYR 501 N 4.52 0.00 -2.26 0.29 0.05 -1.97 -3.38 116.97 114.22 1cwt h TYR 501 Ca -0.29 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.90 1cwt h TYR 501 Cb 1.19 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 38.52 1cwt h TYR 501 CO 0.51 0.55 -0.78 0.66 -1.05 0.00 0.00 178.16 178.05 1cwt n TYR 502 N -3.27 1.95 0.28 4.88 4.01 -1.26 -4.94 117.16 118.82 1cwt n TYR 502 Ca 0.02 -3.92 0.18 0.00 -0.16 0.00 0.00 57.90 54.02 1cwt n TYR 502 Cb 0.74 -0.43 0.74 0.00 -0.31 0.00 0.00 39.34 40.09 1cwt n TYR 502 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1cwt h PRO 503 N 4.40 0.00 -4.87 -0.72 0.13 -1.89 -3.42 132.00 125.64 1cwt h PRO 503 Ca 0.16 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.62 1cwt h PRO 503 Cb 0.76 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.53 1cwt h PRO 503 CO 0.66 0.00 -0.79 -2.00 -0.23 0.00 0.00 178.00 175.65 1cwt s GLU 504 N -3.72 2.34 0.02 0.86 2.12 -1.26 -1.57 118.70 117.49 1cwt s GLU 504 Ca 0.00 -1.29 0.04 0.00 0.36 0.00 0.00 54.97 54.08 1cwt s GLU 504 Cb 0.09 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.55 1cwt s GLU 504 CO 0.53 -0.55 -0.12 -1.64 -0.54 0.00 0.00 175.26 172.94 1cwt s MET 505 N 1.14 0.84 0.20 4.30 -1.94 -1.26 -2.78 119.30 119.81 1cwt s MET 505 Ca -0.07 -0.61 0.05 0.00 -1.71 0.00 0.00 55.69 53.35 1cwt s MET 505 Cb -0.19 -0.81 -0.05 0.00 2.01 0.00 0.00 34.83 35.79 1cwt s MET 505 CO -0.05 0.20 -0.07 0.71 -0.01 0.00 0.00 175.02 175.81 1cwt s TYR 506 N -0.68 1.52 -0.08 -0.03 2.02 -0.41 -4.55 117.35 115.14 1cwt s TYR 506 Ca 0.01 -0.79 -0.00 0.00 -0.37 0.00 0.00 57.07 55.92 1cwt s TYR 506 Cb -0.07 -0.82 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 1cwt s TYR 506 CO 0.01 0.10 -0.05 0.42 -1.57 0.00 0.00 175.55 174.45 1cwt s ILE 507 N -3.27 3.84 -0.44 2.71 -1.09 0.21 -0.83 121.20 122.33 1cwt s ILE 507 Ca 0.23 -0.42 -0.26 0.00 -2.23 0.00 0.00 60.65 57.98 1cwt s ILE 507 Cb 0.03 -2.59 0.02 0.00 -1.58 0.00 0.00 42.46 38.34 1cwt s ILE 507 CO 0.06 0.59 0.93 -0.22 -1.23 0.00 0.00 174.94 175.07 1cwt s LEU 508 N -0.65 3.98 0.20 2.97 2.96 -0.50 -1.48 118.68 126.16 1cwt s LEU 508 Ca 0.10 0.27 -0.31 0.00 -0.22 0.00 0.00 54.13 53.96 1cwt s LEU 508 Cb -0.12 -3.23 -0.11 0.00 0.50 0.00 0.00 46.19 43.24 1cwt s LEU 508 CO 0.02 -1.00 1.62 -0.75 -1.32 0.00 0.00 176.35 174.92 1cwt s LYS 509 N 3.71 4.18 0.00 1.98 2.20 0.27 -2.35 119.74 129.72 1cwt s LYS 509 Ca 0.38 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 1cwt s LYS 509 Cb -0.10 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1cwt s LYS 509 CO 0.24 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1cwt n GLY 510 N 3.60 2.28 6.29 5.54 0.00 -1.26 -4.60 105.19 117.04 1cwt n GLY 510 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 1cwt n GLY 510 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwt n GLY 511 N -2.00 -1.17 0.37 -0.02 0.00 -0.99 -2.16 105.19 99.21 1cwt n GLY 511 Ca 0.00 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 45.07 1cwt n GLY 511 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1cwt h TYR 512 N -0.15 0.98 -0.79 1.61 3.20 -1.14 -1.68 116.97 119.01 1cwt h TYR 512 Ca 0.00 0.03 0.14 0.00 3.14 0.00 0.00 58.73 62.04 1cwt h TYR 512 Cb 0.15 -0.31 -0.09 0.00 1.54 0.00 0.00 36.73 38.02 1cwt h TYR 512 CO 0.00 0.33 0.37 -0.22 -1.64 0.00 0.00 178.16 177.00 1cwt h LYS 513 N 0.80 0.53 0.00 1.82 3.11 -1.48 -0.19 116.57 121.16 1cwt h LYS 513 Ca 0.50 -0.03 -0.20 0.00 -2.81 0.00 0.00 60.65 58.11 1cwt h LYS 513 Cb 0.71 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.79 1cwt h LYS 513 CO -0.27 0.35 -1.01 0.93 -2.81 0.00 0.00 179.45 176.64 1cwt h GLU 514 N 0.54 0.00 -0.02 1.90 4.39 -0.81 -3.38 114.58 117.20 1cwt h GLU 514 Ca 0.43 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.06 1cwt h GLU 514 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1cwt h GLU 514 CO -0.37 0.86 -0.26 0.35 -1.16 0.00 0.00 179.01 178.43 1cwt h PHE 515 N 0.00 0.30 0.11 4.33 3.57 -0.48 -3.37 116.94 121.40 1cwt h PHE 515 Ca -0.04 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.33 1cwt h PHE 515 Cb 1.73 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 40.39 1cwt h PHE 515 CO 0.00 0.92 -0.50 0.35 -2.23 0.00 0.00 178.31 176.85 1cwt h PHE 516 N -0.41 -1.45 0.00 0.41 3.57 -1.26 -1.56 116.94 116.24 1cwt h PHE 516 Ca -0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1cwt h PHE 516 Cb 0.98 0.62 0.00 0.00 2.79 0.00 0.00 35.95 40.34 1cwt h PHE 516 CO 0.16 -0.58 0.05 -0.35 -2.23 0.00 0.00 178.31 175.37 1cwt n PRO 517 N -5.48 0.09 -0.11 6.41 -0.04 -1.26 -2.40 135.00 132.21 1cwt n PRO 517 Ca -0.08 0.58 -0.13 0.00 -0.04 0.00 0.00 63.50 63.83 1cwt n PRO 517 Cb 0.41 -1.86 -0.13 0.00 -0.04 0.00 0.00 33.50 31.88 1cwt n PRO 517 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1cwt n GLN 518 N -2.00 0.77 -3.14 0.54 6.02 -0.73 -4.74 117.38 114.10 1cwt n GLN 518 Ca -0.01 0.06 -0.21 0.00 -0.01 0.00 0.00 57.00 56.83 1cwt n GLN 518 Cb 0.07 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.81 1cwt n GLN 518 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1cwt n HIS 519 N -2.94 1.13 0.02 1.08 8.25 -0.66 -4.96 115.22 117.14 1cwt n HIS 519 Ca -0.36 -3.85 0.11 0.00 -0.26 0.00 0.00 57.72 53.36 1cwt n HIS 519 Cb 1.05 -0.44 0.55 0.00 1.12 0.00 0.00 29.99 32.27 1cwt n HIS 519 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1cwt h PRO 520 N 3.08 0.27 0.00 -0.41 0.13 -1.71 -1.51 132.00 131.85 1cwt h PRO 520 Ca 0.11 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1cwt h PRO 520 Cb 0.85 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1cwt h PRO 520 CO 0.58 0.18 0.00 -1.71 -0.23 0.00 0.00 178.00 176.81 1cwt n ASN 521 N -4.47 0.00 -1.18 1.44 5.15 -1.26 -1.60 115.26 113.34 1cwt n ASN 521 Ca 0.06 -0.38 0.11 0.00 -0.60 0.00 0.00 54.58 53.77 1cwt n ASN 521 Cb 0.31 -0.14 0.27 0.00 -0.53 0.00 0.00 39.78 39.69 1cwt n ASN 521 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1cwt n PHE 522 N -1.14 0.71 -4.57 1.20 3.01 -0.57 -4.92 117.46 111.18 1cwt n PHE 522 Ca 0.14 -0.35 -0.30 0.00 1.01 0.00 0.00 57.45 57.95 1cwt n PHE 522 Cb 0.13 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.47 1cwt n PHE 522 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1cwt s GLU 524 N -1.69 0.13 0.81 0.00 2.56 0.19 -3.83 118.70 116.87 1cwt s GLU 524 Ca 0.15 0.59 -0.11 0.00 0.00 0.00 0.00 54.97 55.60 1cwt s GLU 524 Cb -0.10 -0.34 0.08 0.00 2.00 0.00 0.00 34.13 35.76 1cwt s GLU 524 CO 0.06 -0.37 1.09 -2.14 -0.56 0.00 0.00 175.26 173.34 1cwt s PRO 525 N 2.37 1.99 -1.18 4.30 0.02 -1.26 -2.02 135.00 139.22 1cwt s PRO 525 Ca 0.03 0.96 -0.18 0.00 0.02 0.00 0.00 61.00 61.83 1cwt s PRO 525 Cb -0.13 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 1cwt s PRO 525 CO -0.09 -1.77 2.06 1.04 -0.33 0.00 0.00 177.00 177.92 1cwt n GLN 526 N -3.58 2.32 -3.91 5.54 6.02 -1.25 -4.26 117.38 118.27 1cwt n GLN 526 Ca 0.08 -2.37 -0.09 0.00 -0.01 0.00 0.00 57.00 54.61 1cwt n GLN 526 Cb 0.54 -3.19 -0.02 0.00 1.02 0.00 0.00 30.24 28.59 1cwt n GLN 526 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1cwt s ASP 527 N 4.12 -0.06 -0.08 1.08 2.15 -1.26 -5.10 116.67 117.52 1cwt s ASP 527 Ca 0.53 -0.89 -0.03 0.00 0.43 0.00 0.00 52.55 52.58 1cwt s ASP 527 Cb 0.13 0.71 0.04 0.00 -0.30 0.00 0.00 42.92 43.50 1cwt s ASP 527 CO 0.01 -1.37 0.16 -0.47 -0.17 0.00 0.00 175.17 173.34 1cwt s TYR 528 N -3.52 -0.19 -0.30 -5.34 5.04 -1.25 -4.25 117.35 107.55 1cwt s TYR 528 Ca 0.17 0.59 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 1cwt s TYR 528 Cb -0.04 -0.19 0.07 0.00 0.35 0.00 0.00 41.96 42.15 1cwt s TYR 528 CO 0.10 -0.24 -0.01 0.50 -1.34 0.00 0.00 175.55 174.55 1cwt s ARG 529 N 1.92 2.21 0.35 4.97 3.52 -1.26 -5.04 118.95 125.62 1cwt s ARG 529 Ca -0.01 -1.42 -0.28 0.00 -0.13 0.00 0.00 55.73 53.89 1cwt s ARG 529 Cb -0.12 -3.12 -0.10 0.00 -1.56 0.00 0.00 34.95 30.06 1cwt s ARG 529 CO -0.06 -0.68 1.26 -2.14 -0.81 0.00 0.00 175.30 172.86 1cwt s PRO 530 N 1.15 4.25 0.33 5.12 0.02 -1.26 -4.64 135.00 139.97 1cwt s PRO 530 Ca -0.03 2.09 0.07 0.00 0.02 0.00 0.00 61.00 63.15 1cwt s PRO 530 Cb -0.20 -2.94 0.77 0.00 0.02 0.00 0.00 34.50 32.14 1cwt s PRO 530 CO -0.04 -0.23 1.83 1.98 -0.33 0.00 0.00 177.00 180.21 1cwt h MET 531 N 3.14 0.73 -0.19 5.54 1.85 -1.99 0.24 114.93 124.25 1cwt h MET 531 Ca -0.49 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.56 1cwt h MET 531 Cb 1.23 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 33.10 1cwt h MET 531 CO 0.64 0.48 0.00 0.09 -0.40 0.00 0.00 176.91 177.73 1cwt n ASN 532 N -4.63 0.50 -4.58 1.39 3.02 -1.26 -4.90 115.26 104.80 1cwt n ASN 532 Ca 0.20 -2.01 -0.48 0.00 -0.03 0.00 0.00 54.58 52.26 1cwt n ASN 532 Cb 0.51 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.52 1cwt n ASN 532 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1cwt n HIS 533 N -0.26 1.98 -0.02 3.10 -0.00 0.83 -4.80 115.22 116.05 1cwt n HIS 533 Ca 0.02 0.08 0.22 0.00 0.46 0.00 0.00 57.72 58.51 1cwt n HIS 533 Cb 0.10 -2.63 0.54 0.00 -0.12 0.00 0.00 29.99 27.88 1cwt n HIS 533 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 1cwt h GLU 534 N 11.62 0.00 -0.16 1.57 4.81 -1.90 0.25 114.58 130.77 1cwt h GLU 534 Ca -0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1cwt h GLU 534 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1cwt h GLU 534 CO 0.98 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 179.26 1cwt n ALA 535 N -2.18 2.46 -1.45 2.92 0.00 -1.26 -4.25 120.51 116.74 1cwt n ALA 535 Ca 0.14 -0.76 0.07 0.00 0.00 0.00 0.00 53.44 52.89 1cwt n ALA 535 Cb 1.08 -0.88 0.13 0.00 0.00 0.00 0.00 19.45 19.78 1cwt n ALA 535 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1cwt n PHE 536 N 1.22 0.00 -0.17 0.00 3.01 0.86 -4.81 117.46 117.58 1cwt n PHE 536 Ca 0.16 -0.98 -0.03 0.00 1.01 0.00 0.00 57.45 57.61 1cwt n PHE 536 Cb 0.56 -0.17 0.06 0.00 -0.01 0.00 0.00 39.48 39.93 1cwt n PHE 536 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1cwt h LYS 537 N 0.36 0.41 -0.67 -1.08 1.57 -1.74 -1.50 116.57 113.93 1cwt h LYS 537 Ca -0.02 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1cwt h LYS 537 Cb 1.12 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.31 1cwt h LYS 537 CO 0.01 0.27 0.16 -0.44 -0.57 0.00 0.00 179.45 178.88 1cwt h ASP 538 N 0.43 1.02 0.13 0.86 3.32 -1.93 -2.14 116.42 118.11 1cwt h ASP 538 Ca 0.24 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1cwt h ASP 538 Cb 0.21 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1cwt h ASP 538 CO -0.21 0.99 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.84 1cwt h GLU 539 N 1.01 0.01 -0.18 3.56 3.07 -1.84 -0.52 114.58 119.68 1cwt h GLU 539 Ca 0.21 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 1cwt h GLU 539 Cb 0.37 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1cwt h GLU 539 CO 0.00 0.14 -0.12 1.25 -1.40 0.00 0.00 179.01 178.88 1cwt h LEU 540 N 0.01 0.42 -0.10 1.33 6.46 -0.64 -1.35 115.31 121.43 1cwt h LEU 540 Ca 0.00 -0.44 -0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1cwt h LEU 540 Cb 0.24 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1cwt h LEU 540 CO 0.02 0.77 0.06 0.11 -0.62 0.00 0.00 178.44 178.78 1cwt h LYS 541 N 0.07 0.14 -0.48 1.25 1.57 -1.01 -2.00 116.57 116.11 1cwt h LYS 541 Ca 0.04 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1cwt h LYS 541 Cb 0.63 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 1cwt h LYS 541 CO 0.03 0.13 0.01 1.15 -0.57 0.00 0.00 179.45 180.20 1cwt h THR 542 N 0.11 0.64 -0.52 -0.16 2.02 -1.10 -2.42 112.91 111.48 1cwt h THR 542 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1cwt h THR 542 Cb 0.02 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1cwt h THR 542 CO -0.01 0.02 0.33 0.15 0.37 0.00 0.00 175.52 176.39 1cwt h PHE 543 N 0.13 0.66 0.00 3.16 3.57 -0.95 -2.29 116.94 121.22 1cwt h PHE 543 Ca 0.24 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1cwt h PHE 543 Cb 0.35 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1cwt h PHE 543 CO -0.29 0.43 -0.02 0.00 -2.23 0.00 0.00 178.31 176.20 1cwt h ARG 544 N 0.70 0.00 -0.00 1.11 3.08 -0.88 -1.06 114.38 117.33 1cwt h ARG 544 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1cwt h ARG 544 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1cwt h ARG 544 CO -0.04 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.16 1cwt n LEU 545 N -3.70 0.03 -0.01 3.04 4.77 -0.86 -2.80 117.00 117.47 1cwt n LEU 545 Ca -0.03 -0.01 0.10 0.00 -0.03 0.00 0.00 56.01 56.04 1cwt n LEU 545 Cb 0.10 -0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 1cwt n LEU 545 CO 0.27 0.01 -0.44 1.17 -1.33 0.00 0.00 177.39 177.06 1cwt n LYS 546 N -0.79 0.47 -2.36 3.23 4.81 -0.40 -5.00 118.16 118.13 1cwt n LYS 546 Ca 0.15 -0.11 -0.39 0.00 -0.87 0.00 0.00 58.31 57.10 1cwt n LYS 546 Cb 0.07 -1.48 -0.03 0.00 0.02 0.00 0.00 35.03 33.61 1cwt n LYS 546 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1cwt s THR 547 N -3.22 3.28 0.51 3.15 -4.23 -1.12 -4.93 115.64 109.06 1cwt s THR 547 Ca -0.01 1.11 0.30 0.00 -1.18 0.00 0.00 61.69 61.92 1cwt s THR 547 Cb 0.14 -3.64 0.49 0.00 1.34 0.00 0.00 72.50 70.83 1cwt s THR 547 CO 0.86 0.13 1.84 -0.09 -0.54 0.00 0.00 174.62 176.82 1cwt h ARG 548 N 2.90 0.09 -1.50 3.99 2.43 -1.94 -3.44 114.38 116.90 1cwt h ARG 548 Ca -0.48 -0.01 0.19 0.00 -0.81 0.00 0.00 59.98 58.87 1cwt h ARG 548 Cb 1.23 -0.02 -0.21 0.00 -0.42 0.00 0.00 29.97 30.54 1cwt h ARG 548 CO 0.63 0.06 0.74 0.45 -1.51 0.00 0.00 179.97 180.34 1cwt s SER 549 N -5.40 -0.20 0.00 -3.80 0.15 -1.26 -5.12 113.70 98.07 1cwt s SER 549 Ca -0.06 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1cwt s SER 549 Cb 0.23 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1cwt s SER 549 CO 0.79 -0.26 0.00 -2.67 1.20 0.00 0.00 173.24 172.30 1cwt n TRP 550 N 0.24 0.00 0.00 3.44 2.14 -1.26 -5.14 117.44 116.86 1cwt n TRP 550 Ca -0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.54 1cwt n TRP 550 Cb 0.59 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.09 1cwt n TRP 550 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76