#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zit n PHE 400 N 0.00 0.27 0.56 0.00 3.72 -1.26 -4.63 117.46 116.12 2zit n PHE 400 Ca 0.00 -0.58 0.10 0.00 -0.05 0.00 0.00 57.45 56.93 2zit n PHE 400 Cb 0.00 -0.07 0.27 0.00 -0.94 0.00 0.00 39.48 38.74 2zit n PHE 400 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2zit n LEU 401 N -0.18 2.75 0.00 4.37 4.77 -1.26 -4.73 117.00 122.73 2zit n LEU 401 Ca 0.08 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2zit n LEU 401 Cb 0.41 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2zit n LEU 401 CO 0.05 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2zit n GLY 402 N 1.35 -1.19 3.59 -0.72 0.00 -1.26 -4.82 105.19 102.13 2zit n GLY 402 Ca 0.18 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 2zit n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2zit s ASP 403 N -4.00 4.49 0.00 1.61 1.47 -1.26 -5.04 116.67 113.95 2zit s ASP 403 Ca 0.00 -0.28 0.00 0.00 1.18 0.00 0.00 52.55 53.45 2zit s ASP 403 Cb 0.00 -0.94 0.00 0.00 -0.34 0.00 0.00 42.92 41.64 2zit s ASP 403 CO 0.00 0.22 0.00 0.61 0.68 0.00 0.00 175.17 176.68 2zit n GLY 404 N 1.05 0.46 3.57 2.12 0.00 -1.26 -5.01 105.19 106.12 2zit n GLY 404 Ca -0.14 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 2zit n GLY 404 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zit s GLY 405 N 0.00 1.55 0.01 -0.02 0.00 -1.26 -4.95 107.32 102.64 2zit s GLY 405 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 2zit s GLY 405 CO 0.00 0.17 1.33 0.99 0.00 0.00 0.00 173.10 175.59 2zit s ASP 406 N -3.44 6.92 -0.20 1.64 1.11 -1.26 -4.95 116.67 116.49 2zit s ASP 406 Ca 0.68 2.05 -0.26 0.00 0.18 0.00 0.00 52.55 55.20 2zit s ASP 406 Cb -0.16 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.26 2zit s ASP 406 CO 0.58 -0.65 0.88 -0.69 1.18 0.00 0.00 175.17 176.48 2zit s VAL 407 N 2.05 4.82 0.27 -1.27 1.01 -1.26 -4.55 120.40 121.48 2zit s VAL 407 Ca 0.61 1.72 0.03 0.00 0.00 0.00 0.00 61.98 64.34 2zit s VAL 407 Cb -0.30 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 2zit s VAL 407 CO 0.26 -0.05 0.04 -0.94 0.00 0.00 0.00 175.10 174.41 2zit s SER 408 N 1.23 1.85 -0.14 3.32 1.04 -1.20 -4.96 113.70 114.84 2zit s SER 408 Ca 0.39 -1.32 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 2zit s SER 408 Cb -0.16 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 2zit s SER 408 CO 0.10 -0.60 -0.12 -0.36 0.98 0.00 0.00 173.24 173.23 2zit s PHE 409 N -3.47 2.83 0.05 5.02 0.08 -1.26 -0.40 117.98 120.83 2zit s PHE 409 Ca 0.34 -0.71 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2zit s PHE 409 Cb 0.07 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 2zit s PHE 409 CO 0.12 -0.27 -0.04 0.45 -0.10 0.00 0.00 175.22 175.38 2zit s SER 410 N 0.52 0.59 0.50 1.36 0.15 -1.24 -4.97 113.70 110.61 2zit s SER 410 Ca -0.08 -0.83 0.22 0.00 0.70 0.00 0.00 55.95 55.96 2zit s SER 410 Cb -0.16 0.14 1.33 0.00 -1.71 0.00 0.00 66.02 65.63 2zit s SER 410 CO 0.04 -0.46 2.07 0.71 1.20 0.00 0.00 173.24 176.80 2zit h THR 411 N 3.62 0.79 0.00 6.45 1.35 -1.92 0.30 112.91 123.51 2zit h THR 411 Ca -0.34 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.05 2zit h THR 411 Cb 1.17 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2zit h THR 411 CO 0.57 0.12 -0.06 0.03 -0.25 0.00 0.00 175.52 175.92 2zit h ARG 412 N 0.00 0.00 0.00 4.72 3.08 -1.96 -3.40 114.38 116.82 2zit h ARG 412 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2zit h ARG 412 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2zit h ARG 412 CO 0.02 0.06 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 2zit n GLY 413 N -0.15 3.84 3.69 0.04 0.00 0.09 -5.04 105.19 107.66 2zit n GLY 413 Ca -0.00 -1.65 -0.44 0.00 0.00 0.00 0.00 46.02 43.93 2zit n GLY 413 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2zit n THR 414 N -1.42 0.60 -3.25 2.61 -1.04 -1.26 -3.68 114.28 106.84 2zit n THR 414 Ca 0.00 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.05 61.47 2zit n THR 414 Cb 0.00 -1.64 -0.06 0.00 -1.82 0.00 0.00 70.33 66.81 2zit n THR 414 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2zit s GLN 415 N 0.10 4.25 -1.40 -2.82 -1.52 0.46 -4.21 119.66 114.52 2zit s GLN 415 Ca 0.71 0.71 -0.07 0.00 -1.95 0.00 0.00 55.36 54.76 2zit s GLN 415 Cb -0.61 -3.29 0.01 0.00 -0.22 0.00 0.00 33.01 28.89 2zit s GLN 415 CO 0.44 0.50 0.92 0.09 -0.25 0.00 0.00 175.29 177.00 2zit n ASN 416 N 2.24 -6.16 -3.61 5.90 3.02 -1.26 -3.23 115.26 112.14 2zit n ASN 416 Ca -0.09 -0.42 -0.29 0.00 -0.03 0.00 0.00 54.58 53.74 2zit n ASN 416 Cb 0.51 -4.87 -0.14 0.00 -0.61 0.00 0.00 39.78 34.68 2zit n ASN 416 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2zit s TRP 417 N -3.25 1.18 0.49 3.10 -0.11 -1.26 -4.66 118.94 114.43 2zit s TRP 417 Ca 0.46 -1.66 0.04 0.00 1.22 0.00 0.00 56.10 56.16 2zit s TRP 417 Cb -0.20 -1.35 0.02 0.00 -1.50 0.00 0.00 33.47 30.44 2zit s TRP 417 CO 0.57 -0.83 0.68 0.95 -4.62 0.00 0.00 176.95 173.70 2zit s THR 418 N 1.31 2.85 0.26 5.86 -4.23 -1.26 -4.94 115.64 115.50 2zit s THR 418 Ca 0.13 -0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.80 2zit s THR 418 Cb -0.20 -3.02 0.20 0.00 1.34 0.00 0.00 72.50 70.83 2zit s THR 418 CO -0.15 -0.01 1.87 0.58 -0.54 0.00 0.00 174.62 176.37 2zit h VAL 419 N 0.32 1.24 -0.39 2.29 2.07 -1.99 -2.39 116.25 117.40 2zit h VAL 419 Ca -0.41 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 2zit h VAL 419 Cb 1.29 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2zit h VAL 419 CO 0.49 0.28 -0.04 -0.33 0.02 0.00 0.00 177.57 177.99 2zit h GLU 420 N 1.09 0.71 -0.19 1.57 3.07 -2.00 -1.85 114.58 116.99 2zit h GLU 420 Ca 0.27 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2zit h GLU 420 Cb 0.07 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 2zit h GLU 420 CO -0.04 0.83 0.11 -0.09 -1.40 0.00 0.00 179.01 178.42 2zit h ARG 421 N 0.53 0.25 -0.02 2.33 2.43 -1.91 -2.43 114.38 115.56 2zit h ARG 421 Ca 0.10 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2zit h ARG 421 Cb 0.54 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2zit h ARG 421 CO 0.03 0.18 -0.00 1.25 -1.51 0.00 0.00 179.97 179.91 2zit h LEU 422 N 0.25 0.03 -1.98 3.80 5.85 -0.90 -1.84 115.31 120.53 2zit h LEU 422 Ca 0.07 -0.38 0.09 0.00 0.84 0.00 0.00 57.88 58.49 2zit h LEU 422 Cb -0.01 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2zit h LEU 422 CO -0.01 0.41 0.23 -0.07 -0.34 0.00 0.00 178.44 178.65 2zit h LEU 423 N -0.34 0.02 0.37 2.25 3.38 -0.98 0.40 115.31 120.40 2zit h LEU 423 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2zit h LEU 423 Cb 0.39 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2zit h LEU 423 CO 0.00 0.01 -0.18 -0.61 0.09 0.00 0.00 178.44 177.75 2zit h GLN 424 N 0.02 -0.48 -0.82 1.13 4.15 -1.29 -1.99 115.11 115.83 2zit h GLN 424 Ca 0.15 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.72 2zit h GLN 424 Cb 0.58 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.29 2zit h GLN 424 CO -0.00 -0.19 0.44 0.00 -1.93 0.00 0.00 178.83 177.14 2zit h ALA 425 N -0.78 1.20 0.33 3.38 0.00 -0.62 0.48 119.26 123.26 2zit h ALA 425 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2zit h ALA 425 Cb 0.51 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2zit h ALA 425 CO 0.08 -0.02 -0.20 1.25 0.00 0.00 0.00 179.25 180.37 2zit h HIS 426 N 0.68 -0.51 -0.27 0.00 -0.00 -0.29 -1.42 115.15 113.33 2zit h HIS 426 Ca 0.43 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.84 2zit h HIS 426 Cb 0.52 0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 28.06 2zit h HIS 426 CO -0.08 -0.31 -0.01 -0.09 -0.00 0.00 0.00 177.93 177.44 2zit h ARG 427 N -0.50 0.07 -0.01 5.26 2.43 -0.67 -1.15 114.38 119.81 2zit h ARG 427 Ca -0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2zit h ARG 427 Cb 0.41 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2zit h ARG 427 CO 0.04 0.05 0.01 1.96 -1.51 0.00 0.00 179.97 180.51 2zit h GLN 428 N 0.07 0.00 0.02 0.20 4.20 -0.78 -0.35 115.11 118.47 2zit h GLN 428 Ca 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2zit h GLN 428 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2zit h GLN 428 CO -0.22 0.00 -0.01 -0.07 -0.67 0.00 0.00 178.83 177.85 2zit h LEU 429 N 0.00 -0.03 -1.03 1.46 3.38 -0.32 -3.11 115.31 115.67 2zit h LEU 429 Ca 0.00 -0.55 0.12 0.00 0.09 0.00 0.00 57.88 57.54 2zit h LEU 429 Cb 0.01 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 2zit h LEU 429 CO -0.00 0.55 0.63 -0.33 0.09 0.00 0.00 178.44 179.38 2zit h GLU 430 N -0.62 0.96 0.00 1.13 5.08 -0.56 -0.83 114.58 119.74 2zit h GLU 430 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2zit h GLU 430 Cb 0.58 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2zit h GLU 430 CO 0.01 0.63 -0.04 0.93 -1.00 0.00 0.00 179.01 179.54 2zit h GLU 431 N 0.98 0.00 -0.34 2.33 5.08 -1.09 -1.89 114.58 119.66 2zit h GLU 431 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 2zit h GLU 431 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2zit h GLU 431 CO -0.26 0.04 0.00 0.54 -1.00 0.00 0.00 179.01 178.33 2zit n ARG 432 N -3.29 2.39 -0.44 2.33 1.74 -0.37 -4.95 116.66 114.07 2zit n ARG 432 Ca -0.02 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.88 2zit n ARG 432 Cb 0.19 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2zit n ARG 432 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zit n GLY 433 N 1.38 1.29 3.89 -0.13 0.00 -0.71 -5.00 105.19 105.90 2zit n GLY 433 Ca 0.18 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 2zit n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2zit s TYR 434 N -2.00 3.26 -0.04 1.61 1.51 -0.86 -0.56 117.35 120.27 2zit s TYR 434 Ca 0.00 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 2zit s TYR 434 Cb 0.00 -1.48 0.03 0.00 -0.11 0.00 0.00 41.96 40.40 2zit s TYR 434 CO 0.00 0.49 0.08 0.54 -1.11 0.00 0.00 175.55 175.55 2zit s VAL 435 N -2.04 -0.06 0.17 0.71 0.11 0.23 -4.13 120.40 115.40 2zit s VAL 435 Ca 0.33 0.21 -0.32 0.00 -2.93 0.00 0.00 61.98 59.28 2zit s VAL 435 Cb -0.09 -0.15 -0.10 0.00 -1.53 0.00 0.00 36.38 34.51 2zit s VAL 435 CO 0.27 0.09 1.61 0.12 -3.33 0.00 0.00 175.10 173.86 2zit s PHE 436 N 1.18 2.99 0.00 1.54 5.36 -1.26 -2.20 117.98 125.58 2zit s PHE 436 Ca -0.08 0.54 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 2zit s PHE 436 Cb -0.12 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.57 2zit s PHE 436 CO -0.04 -3.68 0.00 1.33 -1.46 0.00 0.00 175.22 171.37 2zit n VAL 437 N 4.02 0.00 -1.38 3.12 0.24 -0.45 -4.43 118.33 119.44 2zit n VAL 437 Ca 0.14 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2zit n VAL 437 Cb 0.38 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 2zit n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2zit n GLY 438 N 1.26 -1.55 3.88 7.63 0.00 -1.24 -4.47 105.19 110.70 2zit n GLY 438 Ca 0.00 -1.43 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 2zit n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2zit s TYR 439 N -2.22 3.26 -0.14 1.61 2.02 0.19 -0.49 117.35 121.57 2zit s TYR 439 Ca 0.00 -0.04 -0.04 0.00 -0.37 0.00 0.00 57.07 56.62 2zit s TYR 439 Cb 0.00 -1.50 0.06 0.00 -0.40 0.00 0.00 41.96 40.13 2zit s TYR 439 CO 0.00 0.50 0.14 -1.58 -1.57 0.00 0.00 175.55 173.04 2zit s HIS 440 N -1.98 -0.05 0.02 2.71 5.65 0.15 -0.75 115.29 121.03 2zit s HIS 440 Ca 0.33 0.15 -0.15 0.00 0.25 0.00 0.00 55.06 55.63 2zit s HIS 440 Cb -0.09 -0.46 -0.06 0.00 -1.18 0.00 0.00 32.58 30.79 2zit s HIS 440 CO 0.26 -0.44 0.44 0.20 -0.65 0.00 0.00 174.74 174.55 2zit s GLY 441 N 2.24 2.51 0.21 1.59 0.00 -1.22 -1.24 107.32 111.40 2zit s GLY 441 Ca 0.04 -0.18 -0.21 0.00 0.00 0.00 0.00 44.72 44.37 2zit s GLY 441 CO -0.08 0.19 1.00 -1.08 0.00 0.00 0.00 173.10 173.13 2zit s THR 442 N -1.10 0.00 0.60 0.90 -1.32 -1.07 -4.27 115.64 109.37 2zit s THR 442 Ca 0.25 -0.65 -0.11 0.00 -1.21 0.00 0.00 61.69 59.97 2zit s THR 442 Cb -0.17 -2.87 -0.05 0.00 -1.51 0.00 0.00 72.50 67.91 2zit s THR 442 CO 0.15 0.00 1.01 0.72 -2.21 0.00 0.00 174.62 174.28 2zit s PHE 443 N -2.22 3.60 0.14 9.09 -0.71 -1.26 -0.97 117.98 125.65 2zit s PHE 443 Ca 0.21 1.29 -0.25 0.00 -1.04 0.00 0.00 56.93 57.13 2zit s PHE 443 Cb -0.03 -2.71 -0.01 0.00 -1.21 0.00 0.00 43.02 39.06 2zit s PHE 443 CO 0.06 -0.62 1.62 -0.07 -1.34 0.00 0.00 175.22 174.87 2zit h LEU 444 N -0.09 -0.93 -1.16 -1.99 3.38 -1.88 -0.60 115.31 112.03 2zit h LEU 444 Ca -0.45 0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.74 2zit h LEU 444 Cb 1.19 0.40 -0.06 0.00 0.09 0.00 0.00 40.66 42.28 2zit h LEU 444 CO 0.62 -0.34 0.59 -0.33 0.09 0.00 0.00 178.44 179.06 2zit h GLU 445 N -0.37 0.94 -0.43 1.13 3.07 -1.94 -1.11 114.58 115.87 2zit h GLU 445 Ca 0.10 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2zit h GLU 445 Cb 0.52 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 2zit h GLU 445 CO -0.35 0.62 0.19 0.00 -1.40 0.00 0.00 179.01 178.07 2zit h ALA 446 N 1.53 0.56 -0.25 3.43 0.00 -1.55 -1.31 119.26 121.68 2zit h ALA 446 Ca 0.40 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2zit h ALA 446 Cb 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2zit h ALA 446 CO -0.16 0.15 0.05 0.00 0.00 0.00 0.00 179.25 179.28 2zit h ALA 447 N 1.03 0.25 -0.36 0.00 0.00 -0.23 -0.26 119.26 119.70 2zit h ALA 447 Ca 0.15 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.18 2zit h ALA 447 Cb 0.16 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2zit h ALA 447 CO -0.01 -0.37 -0.14 0.37 0.00 0.00 0.00 179.25 179.10 2zit h GLN 448 N 0.14 -0.06 0.30 0.00 5.75 -0.94 -0.36 115.11 119.95 2zit h GLN 448 Ca 0.11 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2zit h GLN 448 Cb 0.12 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 2zit h GLN 448 CO -0.15 -0.04 -0.35 1.03 -2.65 0.00 0.00 178.83 176.66 2zit h SER 449 N -0.06 -0.97 -0.34 -0.69 0.87 -0.68 -0.09 113.55 111.59 2zit h SER 449 Ca 0.18 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.87 2zit h SER 449 Cb 0.34 0.34 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 2zit h SER 449 CO -0.41 -0.48 0.12 0.40 -0.53 0.00 0.00 176.83 175.94 2zit h ILE 450 N -0.70 0.91 -0.10 2.23 2.04 -0.68 0.05 117.51 121.25 2zit h ILE 450 Ca -0.01 -0.09 -0.18 0.00 1.00 0.00 0.00 64.86 65.57 2zit h ILE 450 Cb 0.65 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2zit h ILE 450 CO -0.09 0.05 -0.66 0.58 0.00 0.00 0.00 178.15 178.03 2zit h VAL 451 N 0.27 1.33 -0.87 1.67 2.07 -1.02 0.74 116.25 120.44 2zit h VAL 451 Ca 0.15 -1.93 -0.60 0.00 0.82 0.00 0.00 66.70 65.14 2zit h VAL 451 Cb 0.12 2.17 -0.34 0.00 -1.52 0.00 0.00 31.29 31.72 2zit h VAL 451 CO -0.16 0.59 0.12 0.49 0.02 0.00 0.00 177.57 178.64 2zit n PHE 452 N -4.10 2.95 -0.11 1.57 3.01 -0.05 -4.41 117.46 116.32 2zit n PHE 452 Ca -0.08 -2.62 0.00 0.00 1.01 0.00 0.00 57.45 55.76 2zit n PHE 452 Cb 0.68 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 2zit n PHE 452 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2zit n GLY 453 N -0.84 0.11 0.00 1.37 0.00 -0.02 -4.87 105.19 100.94 2zit n GLY 453 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2zit n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zit n GLY 454 N 0.00 -2.10 3.73 -0.02 0.00 0.25 -4.89 105.19 102.16 2zit n GLY 454 Ca 0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2zit n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zit s VAL 455 N -3.13 3.22 0.03 1.61 1.01 -1.25 -4.41 120.40 117.47 2zit s VAL 455 Ca 0.00 0.94 0.03 0.00 0.00 0.00 0.00 61.98 62.95 2zit s VAL 455 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2zit s VAL 455 CO 0.00 0.11 -0.10 -0.13 0.00 0.00 0.00 175.10 174.98 2zit s ARG 456 N 0.47 0.68 0.61 2.72 0.52 -1.26 -4.29 118.95 118.40 2zit s ARG 456 Ca 0.61 -0.59 -0.19 0.00 -0.52 0.00 0.00 55.73 55.04 2zit s ARG 456 Cb -0.37 -0.61 -0.03 0.00 0.52 0.00 0.00 34.95 34.46 2zit s ARG 456 CO 0.35 0.15 1.24 0.00 0.02 0.00 0.00 175.30 177.05 2zit s ALA 457 N -0.79 2.51 0.31 2.13 0.00 -1.26 -5.02 121.76 119.64 2zit s ALA 457 Ca -0.02 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 2zit s ALA 457 Cb -0.07 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.59 2zit s ALA 457 CO 0.01 -1.30 0.72 -0.98 0.00 0.00 0.00 175.76 174.20 2zit s ARG 458 N -3.32 1.92 0.37 0.00 1.70 -1.26 -5.16 118.95 113.20 2zit s ARG 458 Ca 0.79 -1.17 -0.25 0.00 -0.47 0.00 0.00 55.73 54.62 2zit s ARG 458 Cb -0.33 0.60 -0.09 0.00 -0.57 0.00 0.00 34.95 34.56 2zit s ARG 458 CO 0.36 -0.88 1.02 -1.12 -1.08 0.00 0.00 175.30 173.60 2zit s SER 459 N -2.98 6.97 -0.08 -2.89 0.01 -1.26 -4.97 113.70 108.50 2zit s SER 459 Ca 0.14 2.00 -0.08 0.00 1.31 0.00 0.00 55.95 59.32 2zit s SER 459 Cb -0.05 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.61 2zit s SER 459 CO 0.09 -0.34 0.22 -1.10 0.41 0.00 0.00 173.24 172.53 2zit s GLN 460 N -2.28 0.27 -1.17 12.44 -0.21 -1.26 -5.09 119.66 122.36 2zit s GLN 460 Ca 0.54 0.29 -0.20 0.00 0.02 0.00 0.00 55.36 56.02 2zit s GLN 460 Cb -0.22 0.13 0.07 0.00 1.00 0.00 0.00 33.01 33.99 2zit s GLN 460 CO 0.28 -0.03 1.59 0.16 -2.12 0.00 0.00 175.29 175.16 2zit s ASP 461 N 0.08 6.71 -0.04 5.90 -4.77 -1.26 -4.86 116.67 118.43 2zit s ASP 461 Ca -0.00 -2.08 -0.29 0.00 -3.30 0.00 0.00 52.55 46.88 2zit s ASP 461 Cb -0.02 -2.56 0.11 0.00 -1.09 0.00 0.00 42.92 39.36 2zit s ASP 461 CO 0.00 -1.28 0.91 -1.48 0.70 0.00 0.00 175.17 174.03 2zit s LEU 462 N 4.33 -0.37 -0.10 2.11 0.05 -1.26 -5.12 118.68 118.31 2zit s LEU 462 Ca 0.50 0.11 -0.39 0.00 0.05 0.00 0.00 54.13 54.40 2zit s LEU 462 Cb 0.02 1.99 -0.17 0.00 -2.05 0.00 0.00 46.19 45.99 2zit s LEU 462 CO -0.00 -0.55 1.51 -0.67 -0.55 0.00 0.00 176.35 176.09 2zit n ASP 463 N 0.01 1.86 -0.24 1.48 -0.08 -1.26 -4.75 116.55 113.57 2zit n ASP 463 Ca -0.09 1.10 0.32 0.00 -1.51 0.00 0.00 54.79 54.61 2zit n ASP 463 Cb 0.61 -1.14 0.73 0.00 2.34 0.00 0.00 41.12 43.66 2zit n ASP 463 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2zit h ALA 464 N 5.66 2.95 0.00 -1.67 0.00 -2.00 0.22 119.26 124.42 2zit h ALA 464 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2zit h ALA 464 Cb 1.33 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2zit h ALA 464 CO 0.86 -1.33 0.00 -0.84 0.00 0.00 0.00 179.25 177.94 2zit h ILE 465 N 0.00 0.00 -0.08 0.00 3.07 -1.92 -2.64 117.51 115.94 2zit h ILE 465 Ca 0.49 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.76 2zit h ILE 465 Cb 2.08 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 39.45 2zit h ILE 465 CO -0.01 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.88 2zit n TRP 466 N -2.39 0.08 -1.73 0.16 7.02 0.78 -3.97 117.44 117.40 2zit n TRP 466 Ca 0.00 -0.06 -0.40 0.00 -1.02 0.00 0.00 57.50 56.02 2zit n TRP 466 Cb 0.14 -0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.05 2zit n TRP 466 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 2zit n ARG 467 N 0.91 2.03 -3.67 -0.99 1.85 -1.00 -4.92 116.66 110.88 2zit n ARG 467 Ca 0.10 0.72 0.00 0.00 -1.00 0.00 0.00 57.85 57.68 2zit n ARG 467 Cb 0.42 -2.51 0.00 0.00 -1.05 0.00 0.00 32.46 29.32 2zit n ARG 467 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2zit n GLY 468 N 0.71 -2.62 3.67 2.89 0.00 -1.26 -4.53 105.19 104.05 2zit n GLY 468 Ca 0.06 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 2zit n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2zit s PHE 469 N -1.92 3.40 -0.28 1.61 5.36 0.26 -4.85 117.98 121.56 2zit s PHE 469 Ca 0.00 0.89 -0.12 0.00 -0.96 0.00 0.00 56.93 56.74 2zit s PHE 469 Cb 0.00 -2.73 -0.04 0.00 -0.34 0.00 0.00 43.02 39.90 2zit s PHE 469 CO 0.00 -0.10 0.25 0.71 -1.46 0.00 0.00 175.22 174.62 2zit s TYR 470 N 1.62 3.23 0.31 10.12 1.51 -1.26 -0.56 117.35 132.31 2zit s TYR 470 Ca 0.27 0.18 0.03 0.00 -1.01 0.00 0.00 57.07 56.54 2zit s TYR 470 Cb -0.16 -2.45 -0.05 0.00 -0.11 0.00 0.00 41.96 39.19 2zit s TYR 470 CO 0.11 -0.20 0.09 0.96 -1.11 0.00 0.00 175.55 175.39 2zit s ILE 471 N 1.85 0.81 -0.00 2.71 -4.36 -0.20 -4.81 121.20 117.21 2zit s ILE 471 Ca 0.09 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 2zit s ILE 471 Cb -0.16 -2.66 0.00 0.00 1.25 0.00 0.00 42.46 40.89 2zit s ILE 471 CO 0.11 0.00 -0.00 0.00 0.24 0.00 0.00 174.94 175.29 2zit s ALA 472 N -3.49 0.06 0.13 2.27 0.00 0.07 -0.04 121.76 120.76 2zit s ALA 472 Ca 0.36 0.03 -0.15 0.00 0.00 0.00 0.00 51.96 52.19 2zit s ALA 472 Cb 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 2zit s ALA 472 CO 0.15 -0.01 1.67 0.78 0.00 0.00 0.00 175.76 178.35 2zit h GLY 473 N 6.32 0.67 -6.45 0.00 0.00 -1.78 0.53 103.07 102.36 2zit h GLY 473 Ca -0.28 -0.38 -0.60 0.00 0.00 0.00 0.00 47.33 46.07 2zit h GLY 473 CO 0.50 0.36 0.50 -0.35 0.00 0.00 0.00 176.54 177.56 2zit s ASP 474 N -5.90 6.63 0.57 0.19 2.15 -1.26 -4.62 116.67 114.43 2zit s ASP 474 Ca -0.13 0.50 0.26 0.00 0.43 0.00 0.00 52.55 53.61 2zit s ASP 474 Cb 0.10 -2.43 1.57 0.00 -0.30 0.00 0.00 42.92 41.85 2zit s ASP 474 CO 0.76 -0.80 2.10 1.55 -0.17 0.00 0.00 175.17 178.61 2zit h PRO 475 N 8.46 0.00 -0.62 4.34 0.13 -1.96 -1.91 132.00 140.44 2zit h PRO 475 Ca -0.24 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 2zit h PRO 475 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2zit h PRO 475 CO 0.95 0.00 0.21 0.00 -0.23 0.00 0.00 178.00 178.93 2zit h ALA 476 N 1.81 1.21 -0.03 -0.56 0.00 -1.94 0.12 119.26 119.88 2zit h ALA 476 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2zit h ALA 476 Cb 0.47 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2zit h ALA 476 CO -0.00 0.56 0.01 1.25 0.00 0.00 0.00 179.25 181.07 2zit h LEU 477 N 0.90 0.04 -1.79 0.00 5.85 -1.75 -2.71 115.31 115.86 2zit h LEU 477 Ca 0.21 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2zit h LEU 477 Cb 0.23 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2zit h LEU 477 CO -0.01 0.27 -0.13 0.00 -0.34 0.00 0.00 178.44 178.23 2zit h ALA 478 N 0.77 1.21 -0.77 1.25 0.00 -1.54 -2.95 119.26 117.24 2zit h ALA 478 Ca 0.01 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2zit h ALA 478 Cb 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2zit h ALA 478 CO 0.00 0.16 0.51 -0.92 0.00 0.00 0.00 179.25 179.00 2zit h TYR 479 N 0.00 0.88 0.00 0.00 5.03 -0.42 -1.77 116.97 120.70 2zit h TYR 479 Ca -0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2zit h TYR 479 Cb 0.41 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.39 2zit h TYR 479 CO 0.00 0.50 0.00 0.78 -1.32 0.00 0.00 178.16 178.12 2zit h GLY 480 N 0.90 0.00 -1.16 1.82 0.00 -1.55 -1.10 103.07 101.99 2zit h GLY 480 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2zit h GLY 480 CO -0.10 0.00 -0.22 -1.72 0.00 0.00 0.00 176.54 174.50 2zit n TYR 481 N -2.74 0.00 -1.57 5.60 4.01 -0.67 -4.69 117.16 117.10 2zit n TYR 481 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 2zit n TYR 481 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 2zit n TYR 481 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2zit n ALA 482 N 0.43 5.09 -3.62 -0.72 0.00 -0.42 -2.67 120.51 118.61 2zit n ALA 482 Ca 0.09 -3.72 -0.00 0.00 0.00 0.00 0.00 53.44 49.81 2zit n ALA 482 Cb 0.43 -3.55 -0.01 0.00 0.00 0.00 0.00 19.45 16.32 2zit n ALA 482 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2zit s GLN 483 N 3.58 0.45 0.66 0.00 -2.07 -1.24 -0.24 119.66 120.80 2zit s GLN 483 Ca 0.50 -0.23 -0.16 0.00 -1.82 0.00 0.00 55.36 53.65 2zit s GLN 483 Cb 0.14 0.16 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 2zit s GLN 483 CO -0.04 -0.21 1.15 -0.51 -1.32 0.00 0.00 175.29 174.37 2zit s ASP 484 N -2.79 4.91 0.00 12.60 1.01 -1.07 -4.00 116.67 127.34 2zit s ASP 484 Ca 0.13 2.18 0.09 0.00 0.71 0.00 0.00 52.55 55.66 2zit s ASP 484 Cb 0.03 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 2zit s ASP 484 CO -0.04 -1.77 0.49 0.00 0.21 0.00 0.00 175.17 174.06 2zit n GLN 485 N -2.27 3.11 -4.54 8.23 1.13 -1.26 -4.96 117.38 116.82 2zit n GLN 485 Ca 0.12 -0.29 -0.21 0.00 -1.94 0.00 0.00 57.00 54.68 2zit n GLN 485 Cb 0.51 -0.99 -0.15 0.00 0.11 0.00 0.00 30.24 29.72 2zit n GLN 485 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2zit s GLU 486 N -1.58 1.08 0.17 -1.09 0.41 -1.26 -5.11 118.70 111.32 2zit s GLU 486 Ca 0.06 -0.42 -0.34 0.00 -0.41 0.00 0.00 54.97 53.86 2zit s GLU 486 Cb 0.07 -1.01 -0.14 0.00 -1.78 0.00 0.00 34.13 31.27 2zit s GLU 486 CO 0.30 0.22 1.50 -0.35 -0.49 0.00 0.00 175.26 176.44 2zit n PRO 487 N 2.98 2.00 -0.29 0.39 -0.04 -1.26 -4.83 135.00 133.94 2zit n PRO 487 Ca -0.16 0.72 -0.19 0.00 -0.04 0.00 0.00 63.50 63.83 2zit n PRO 487 Cb 0.55 -2.44 0.18 0.00 -0.04 0.00 0.00 33.50 31.74 2zit n PRO 487 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2zit n ASP 488 N 2.99 -2.87 0.00 3.54 2.03 0.38 -4.73 116.55 117.89 2zit n ASP 488 Ca 0.16 -0.66 0.06 0.00 0.52 0.00 0.00 54.79 54.87 2zit n ASP 488 Cb 0.28 -0.62 0.31 0.00 -0.72 0.00 0.00 41.12 40.37 2zit n ASP 488 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2zit n ALA 489 N -4.59 1.82 -1.63 -1.67 0.00 -1.26 -1.92 120.51 111.27 2zit n ALA 489 Ca -0.12 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.31 2zit n ALA 489 Cb 0.37 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 18.73 2zit n ALA 489 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2zit n ARG 490 N -1.11 0.74 -1.08 0.00 1.74 -1.26 -4.93 116.66 110.76 2zit n ARG 490 Ca 0.07 -2.08 -0.03 0.00 -0.77 0.00 0.00 57.85 55.05 2zit n ARG 490 Cb 0.06 -1.00 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 2zit n ARG 490 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zit n GLY 491 N -0.68 0.49 3.82 -0.13 0.00 -0.81 -4.99 105.19 102.89 2zit n GLY 491 Ca 0.10 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2zit n GLY 491 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2zit s ARG 492 N -1.50 3.01 -0.37 1.61 0.52 -1.26 -4.57 118.95 116.40 2zit s ARG 492 Ca 0.00 0.94 0.01 0.00 -0.52 0.00 0.00 55.73 56.17 2zit s ARG 492 Cb 0.00 -2.00 0.15 0.00 0.52 0.00 0.00 34.95 33.62 2zit s ARG 492 CO 0.00 -1.04 0.26 0.42 0.02 0.00 0.00 175.30 174.95 2zit s ILE 493 N -3.04 0.12 0.35 1.52 -1.09 -1.26 0.14 121.20 117.95 2zit s ILE 493 Ca 0.58 -1.84 -0.21 0.00 -2.23 0.00 0.00 60.65 56.95 2zit s ILE 493 Cb -0.14 -1.09 -0.10 0.00 -1.58 0.00 0.00 42.46 39.55 2zit s ILE 493 CO 0.54 -1.00 0.88 0.00 -1.23 0.00 0.00 174.94 174.13 2zit s ARG 494 N 0.89 4.30 1.03 2.79 3.03 -1.26 -4.84 118.95 124.89 2zit s ARG 494 Ca 0.21 1.07 -0.12 0.00 2.03 0.00 0.00 55.73 58.92 2zit s ARG 494 Cb -0.17 -2.52 0.17 0.00 -1.03 0.00 0.00 34.95 31.41 2zit s ARG 494 CO -0.04 0.16 0.89 0.27 -1.13 0.00 0.00 175.30 175.45 2zit n ASN 495 N -0.02 -0.94 0.00 -2.89 6.94 -1.26 -2.58 115.26 114.50 2zit n ASN 495 Ca 0.03 0.17 0.00 0.00 -0.02 0.00 0.00 54.58 54.76 2zit n ASN 495 Cb 0.52 -1.32 0.00 0.00 -2.36 0.00 0.00 39.78 36.62 2zit n ASN 495 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2zit n GLY 496 N 0.86 2.94 3.30 4.83 0.00 0.66 -4.58 105.19 113.20 2zit n GLY 496 Ca 0.07 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 2zit n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zit s ALA 497 N -2.50 -0.99 -0.05 4.61 0.00 -0.15 -4.64 121.76 118.05 2zit s ALA 497 Ca 0.00 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 52.60 2zit s ALA 497 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2zit s ALA 497 CO 0.00 -0.24 0.63 -0.51 0.00 0.00 0.00 175.76 175.65 2zit s LEU 498 N -0.50 4.35 0.14 0.00 1.43 -1.26 -2.58 118.68 120.26 2zit s LEU 498 Ca -0.06 1.13 0.08 0.00 -1.03 0.00 0.00 54.13 54.26 2zit s LEU 498 Cb -0.04 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 2zit s LEU 498 CO 0.03 -0.01 -0.13 -0.76 0.23 0.00 0.00 176.35 175.71 2zit s LEU 499 N 0.38 2.89 -0.16 1.79 1.43 -0.37 -1.28 118.68 123.36 2zit s LEU 499 Ca 0.33 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 2zit s LEU 499 Cb -0.18 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2zit s LEU 499 CO 0.17 0.15 0.01 -0.13 0.23 0.00 0.00 176.35 176.77 2zit s ARG 500 N -2.43 3.74 -0.15 1.70 0.52 0.17 -0.67 118.95 121.82 2zit s ARG 500 Ca 0.22 -0.43 -0.05 0.00 -0.52 0.00 0.00 55.73 54.94 2zit s ARG 500 Cb -0.10 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 2zit s ARG 500 CO 0.13 0.30 0.02 0.08 0.02 0.00 0.00 175.30 175.85 2zit s VAL 501 N 0.24 4.40 -0.06 3.52 1.01 0.35 -1.15 120.40 128.71 2zit s VAL 501 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.84 2zit s VAL 501 Cb -0.13 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2zit s VAL 501 CO 0.02 0.50 -0.17 -0.31 0.00 0.00 0.00 175.10 175.13 2zit s TYR 502 N 0.13 1.82 0.25 5.22 1.51 -0.71 -1.35 117.35 124.22 2zit s TYR 502 Ca 0.02 -0.61 0.11 0.00 -1.01 0.00 0.00 57.07 55.58 2zit s TYR 502 Cb -0.13 -1.25 -0.05 0.00 -0.11 0.00 0.00 41.96 40.43 2zit s TYR 502 CO 0.02 -0.24 -0.12 0.14 -1.11 0.00 0.00 175.55 174.23 2zit s VAL 503 N 0.26 2.89 0.32 0.71 -7.23 -0.93 0.52 120.40 116.93 2zit s VAL 503 Ca -0.10 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 57.69 2zit s VAL 503 Cb -0.14 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 34.19 2zit s VAL 503 CO 0.04 -0.32 1.42 -2.84 -0.31 0.00 0.00 175.10 173.10 2zit s PRO 504 N -3.37 4.24 0.56 4.82 0.02 -1.26 -0.60 135.00 139.41 2zit s PRO 504 Ca 0.29 2.38 0.25 0.00 0.02 0.00 0.00 61.00 63.93 2zit s PRO 504 Cb -0.06 -3.05 1.52 0.00 0.02 0.00 0.00 34.50 32.93 2zit s PRO 504 CO 0.16 -0.39 2.10 0.00 -0.33 0.00 0.00 177.00 178.54 2zit h ARG 505 N 3.89 0.00 0.00 5.54 3.08 -1.14 -0.21 114.38 125.54 2zit h ARG 505 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2zit h ARG 505 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2zit h ARG 505 CO 0.70 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.26 2zit h SER 506 N 0.00 0.00 -0.02 7.04 4.64 -1.90 -0.28 113.55 123.03 2zit h SER 506 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2zit h SER 506 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2zit h SER 506 CO -0.00 0.00 -0.02 -1.54 -0.87 0.00 0.00 176.83 174.40 2zit n SER 507 N -2.60 2.48 0.19 4.97 3.41 -0.09 -4.32 113.62 117.66 2zit n SER 507 Ca -0.02 -1.81 0.04 0.00 -0.26 0.00 0.00 58.87 56.81 2zit n SER 507 Cb 0.05 0.02 0.43 0.00 -0.26 0.00 0.00 64.21 64.46 2zit n SER 507 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2zit h LEU 508 N 3.87 0.04 -2.23 1.04 3.38 -1.16 -2.38 115.31 117.87 2zit h LEU 508 Ca 0.00 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2zit h LEU 508 Cb 0.83 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2zit h LEU 508 CO 0.00 0.28 0.18 -0.65 0.09 0.00 0.00 178.44 178.34 2zit h PRO 509 N 0.04 0.00 -0.45 1.13 0.11 -1.78 -1.73 132.00 129.32 2zit h PRO 509 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2zit h PRO 509 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2zit h PRO 509 CO 0.03 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.23 2zit n GLY 510 N -1.41 1.06 3.68 -0.55 0.00 -0.90 -4.88 105.19 102.20 2zit n GLY 510 Ca 0.01 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 2zit n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2zit s PHE 511 N -1.49 3.38 0.32 1.61 0.40 -0.65 -0.78 117.98 120.77 2zit s PHE 511 Ca 0.28 0.50 0.03 0.00 -0.60 0.00 0.00 56.93 57.13 2zit s PHE 511 Cb 0.15 -2.40 -0.05 0.00 0.51 0.00 0.00 43.02 41.24 2zit s PHE 511 CO 0.18 0.09 0.09 0.71 0.70 0.00 0.00 175.22 176.99 2zit s TYR 512 N 0.99 1.77 -0.00 0.36 1.51 -0.71 -2.85 117.35 118.43 2zit s TYR 512 Ca 0.15 -1.13 -0.09 0.00 -1.01 0.00 0.00 57.07 54.99 2zit s TYR 512 Cb -0.14 -1.10 0.01 0.00 -0.11 0.00 0.00 41.96 40.62 2zit s TYR 512 CO 0.06 -0.21 0.18 -0.98 -1.11 0.00 0.00 175.55 173.49 2zit s ARG 513 N -3.89 0.53 0.06 -0.62 1.70 -0.84 -1.44 118.95 114.45 2zit s ARG 513 Ca 0.34 -0.36 -0.07 0.00 -0.47 0.00 0.00 55.73 55.17 2zit s ARG 513 Cb 0.07 0.22 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2zit s ARG 513 CO 0.15 -0.13 0.15 -0.08 -1.08 0.00 0.00 175.30 174.30 2zit s THR 514 N -1.38 0.14 -0.39 4.99 -1.32 0.21 -4.66 115.64 113.22 2zit s THR 514 Ca -0.15 -1.19 0.23 0.00 -1.21 0.00 0.00 61.69 59.38 2zit s THR 514 Cb -0.07 -1.19 0.12 0.00 -1.51 0.00 0.00 72.50 69.84 2zit s THR 514 CO 0.02 -0.66 1.29 0.28 -2.21 0.00 0.00 174.62 173.34 2zit h SER 515 N 3.11 0.00 -3.96 8.08 0.02 -2.00 -3.38 113.55 115.43 2zit h SER 515 Ca -0.33 -0.04 -0.51 0.00 -0.84 0.00 0.00 61.79 60.06 2zit h SER 515 Cb 1.19 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.79 2zit h SER 515 CO 0.55 0.02 0.52 -0.76 -1.14 0.00 0.00 176.83 176.02 2zit s LEU 516 N -5.33 4.16 0.34 5.07 1.43 -1.26 -4.59 118.68 118.50 2zit s LEU 516 Ca 0.03 2.40 -0.29 0.00 -1.03 0.00 0.00 54.13 55.25 2zit s LEU 516 Cb 0.09 -4.05 -0.11 0.00 0.03 0.00 0.00 46.19 42.16 2zit s LEU 516 CO 0.73 -0.77 1.41 -0.89 0.23 0.00 0.00 176.35 177.06 2zit s THR 517 N -1.41 2.39 0.67 5.49 2.01 -1.26 -3.98 115.64 119.55 2zit s THR 517 Ca 0.59 0.39 -0.05 0.00 0.31 0.00 0.00 61.69 62.92 2zit s THR 517 Cb -0.32 -3.25 0.05 0.00 0.01 0.00 0.00 72.50 69.00 2zit s THR 517 CO 0.40 0.09 0.96 -0.76 -0.69 0.00 0.00 174.62 174.62 2zit s LEU 518 N -1.75 2.92 -1.53 4.42 1.43 -0.73 -4.33 118.68 119.11 2zit s LEU 518 Ca 0.52 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.96 2zit s LEU 518 Cb -0.43 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2zit s LEU 518 CO 0.56 -1.49 0.29 0.00 0.23 0.00 0.00 176.35 175.93 2zit n ALA 519 N -2.79 -0.73 -2.79 4.21 0.00 -1.26 -4.87 120.51 112.27 2zit n ALA 519 Ca 0.08 0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.58 2zit n ALA 519 Cb 0.60 -2.86 -0.13 0.00 0.00 0.00 0.00 19.45 17.06 2zit n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zit s ALA 520 N -3.04 0.49 0.61 0.00 0.00 -1.26 -5.04 121.76 113.53 2zit s ALA 520 Ca 0.14 -0.41 0.33 0.00 0.00 0.00 0.00 51.96 52.02 2zit s ALA 520 Cb -0.06 -0.06 1.89 0.00 0.00 0.00 0.00 23.12 24.89 2zit s ALA 520 CO 0.18 0.07 2.20 -1.35 0.00 0.00 0.00 175.76 176.85 2zit h PRO 521 N 5.50 0.00 0.00 0.00 0.11 -1.94 0.54 132.00 136.21 2zit h PRO 521 Ca -0.31 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 2zit h PRO 521 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2zit h PRO 521 CO 0.47 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 178.97 2zit h GLU 522 N 0.00 0.00 0.00 1.05 3.07 -1.96 -3.18 114.58 113.57 2zit h GLU 522 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2zit h GLU 522 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2zit h GLU 522 CO -0.00 0.22 -1.89 0.00 -1.40 0.00 0.00 179.01 175.94 2zit n ALA 523 N -2.19 3.00 0.01 3.43 0.00 0.10 -4.45 120.51 120.41 2zit n ALA 523 Ca 0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 2zit n ALA 523 Cb 0.48 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 2zit n ALA 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zit h ALA 524 N 2.10 -0.13 -0.35 0.00 0.00 -1.32 0.20 119.26 119.77 2zit h ALA 524 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2zit h ALA 524 Cb 0.95 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2zit h ALA 524 CO 0.00 -0.64 0.16 0.78 0.00 0.00 0.00 179.25 179.55 2zit h GLY 525 N -0.24 0.46 0.98 0.00 0.00 -1.78 -1.37 103.07 101.12 2zit h GLY 525 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2zit h GLY 525 CO -0.25 0.07 0.25 -2.09 0.00 0.00 0.00 176.54 174.52 2zit h GLU 526 N 0.33 0.55 -0.62 4.80 4.57 -1.68 -2.00 114.58 120.53 2zit h GLU 526 Ca 0.15 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2zit h GLU 526 Cb 0.08 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 2zit h GLU 526 CO -0.12 0.41 0.18 0.28 -1.18 0.00 0.00 179.01 178.58 2zit h VAL 527 N 0.53 1.24 0.00 0.32 2.07 -0.76 -1.82 116.25 117.83 2zit h VAL 527 Ca 0.15 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.79 2zit h VAL 527 Cb -0.00 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2zit h VAL 527 CO -0.03 0.32 -0.23 -0.33 0.02 0.00 0.00 177.57 177.32 2zit h GLU 528 N 0.91 0.00 -0.24 1.57 5.08 -0.91 -1.56 114.58 119.44 2zit h GLU 528 Ca 0.20 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2zit h GLU 528 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2zit h GLU 528 CO -0.01 0.23 -0.26 -0.09 -1.00 0.00 0.00 179.01 177.89 2zit h ARG 529 N 0.00 0.59 0.29 2.33 2.43 -0.60 -2.12 114.38 117.30 2zit h ARG 529 Ca -0.00 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 2zit h ARG 529 Cb 0.48 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2zit h ARG 529 CO 0.03 0.92 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.20 2zit h LEU 530 N 0.30 -0.33 0.00 3.80 3.38 -0.98 -3.16 115.31 118.31 2zit h LEU 530 Ca 0.04 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2zit h LEU 530 Cb 0.82 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2zit h LEU 530 CO 0.06 -0.01 0.00 2.30 0.09 0.00 0.00 178.44 180.88 2zit n ILE 531 N -5.14 0.42 -1.03 1.22 -5.35 -0.63 -4.25 119.36 104.60 2zit n ILE 531 Ca -0.10 0.11 -0.01 0.00 -0.27 0.00 0.00 62.75 62.48 2zit n ILE 531 Cb 0.25 -0.71 -0.00 0.00 -1.74 0.00 0.00 39.64 37.43 2zit n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2zit n GLY 532 N 0.87 0.48 3.49 3.28 0.00 -0.83 -5.00 105.19 107.47 2zit n GLY 532 Ca 0.06 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 2zit n GLY 532 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2zit s HIS 533 N -2.01 -0.40 0.52 1.61 -3.43 -0.99 -5.03 115.29 105.56 2zit s HIS 533 Ca 0.00 0.29 -0.22 0.00 -0.80 0.00 0.00 55.06 54.33 2zit s HIS 533 Cb 0.00 0.53 -0.06 0.00 -1.43 0.00 0.00 32.58 31.63 2zit s HIS 533 CO 0.00 -0.60 1.29 -2.14 -2.00 0.00 0.00 174.74 171.28 2zit s PRO 534 N -3.09 3.33 0.95 -0.38 0.02 -1.26 -4.51 135.00 130.06 2zit s PRO 534 Ca 0.03 2.06 -0.11 0.00 0.02 0.00 0.00 61.00 63.00 2zit s PRO 534 Cb -0.01 -2.29 0.12 0.00 0.02 0.00 0.00 34.50 32.34 2zit s PRO 534 CO -0.09 -0.99 0.85 1.28 -0.33 0.00 0.00 177.00 177.73 2zit n LEU 535 N -0.89 1.70 -4.91 -5.54 4.77 -1.26 -4.76 117.00 106.12 2zit n LEU 535 Ca 0.10 0.35 -0.28 0.00 -0.03 0.00 0.00 56.01 56.14 2zit n LEU 535 Cb 0.46 -1.36 0.07 0.00 -2.33 0.00 0.00 43.42 40.26 2zit n LEU 535 CO 0.51 -2.76 0.72 -2.16 -1.33 0.00 0.00 177.39 172.36 2zit s PRO 536 N -4.24 2.25 0.37 3.23 0.04 -1.25 -4.93 135.00 130.47 2zit s PRO 536 Ca 0.63 0.07 -0.28 0.00 0.04 0.00 0.00 61.00 61.46 2zit s PRO 536 Cb -0.22 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 2zit s PRO 536 CO 0.62 -1.34 1.49 -0.51 0.04 0.00 0.00 177.00 177.30 2zit s LEU 537 N -5.41 4.32 0.00 -3.56 1.43 -1.26 -4.99 118.68 109.21 2zit s LEU 537 Ca 0.60 3.04 0.00 0.00 -1.03 0.00 0.00 54.13 56.74 2zit s LEU 537 Cb -0.11 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.44 2zit s LEU 537 CO 0.48 -0.87 0.00 0.54 0.23 0.00 0.00 176.35 176.73 2zit n ARG 538 N 0.51 0.00 -0.86 1.70 5.12 -1.26 -4.04 116.66 117.83 2zit n ARG 538 Ca 0.01 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.81 2zit n ARG 538 Cb 0.39 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.69 2zit n ARG 538 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2zit n LEU 539 N 0.00 6.01 -4.00 0.55 4.77 -1.26 -3.16 117.00 119.91 2zit n LEU 539 Ca 0.00 -3.11 -0.11 0.00 -0.03 0.00 0.00 56.01 52.75 2zit n LEU 539 Cb 0.00 -1.14 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 2zit n LEU 539 CO 0.00 1.27 0.22 1.51 -1.33 0.00 0.00 177.39 179.06 2zit s ASP 540 N 0.94 0.36 0.08 -1.43 3.84 -1.26 -4.68 116.67 114.52 2zit s ASP 540 Ca 0.29 -1.21 -0.09 0.00 -0.00 0.00 0.00 52.55 51.54 2zit s ASP 540 Cb 0.19 0.67 0.00 0.00 -1.38 0.00 0.00 42.92 42.40 2zit s ASP 540 CO -0.03 -1.31 0.20 0.00 -0.00 0.00 0.00 175.17 174.03 2zit s ALA 541 N -3.30 -0.27 0.01 2.11 0.00 0.04 -1.47 121.76 118.89 2zit s ALA 541 Ca 0.25 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.69 2zit s ALA 541 Cb -0.01 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 2zit s ALA 541 CO 0.14 -0.48 -0.08 -1.50 0.00 0.00 0.00 175.76 173.84 2zit s ILE 542 N -3.61 0.64 -0.07 0.00 1.10 -0.87 -1.73 121.20 116.66 2zit s ILE 542 Ca 0.03 -0.60 0.02 0.00 -0.51 0.00 0.00 60.65 59.59 2zit s ILE 542 Cb 0.04 -0.59 0.01 0.00 0.15 0.00 0.00 42.46 42.07 2zit s ILE 542 CO -0.10 0.00 -0.13 -0.89 -2.11 0.00 0.00 174.94 171.72 2zit s THR 543 N -0.57 1.21 0.11 4.00 2.01 -0.52 -0.80 115.64 121.08 2zit s THR 543 Ca -0.01 -0.51 -0.26 0.00 0.31 0.00 0.00 61.69 61.22 2zit s THR 543 Cb -0.05 -1.11 0.08 0.00 0.01 0.00 0.00 72.50 71.43 2zit s THR 543 CO 0.00 0.37 1.06 -0.83 -0.69 0.00 0.00 174.62 174.53 2zit s GLY 544 N 0.72 -0.27 0.20 4.40 0.00 -0.83 -0.62 107.32 110.92 2zit s GLY 544 Ca -0.13 0.26 -0.33 0.00 0.00 0.00 0.00 44.72 44.53 2zit s GLY 544 CO 0.03 0.14 1.60 -1.05 0.00 0.00 0.00 173.10 173.82 2zit n PRO 545 N -0.49 2.37 -0.01 2.90 -0.02 -1.26 -0.74 135.00 137.76 2zit n PRO 545 Ca -0.07 0.85 0.07 0.00 -2.02 0.00 0.00 63.50 62.33 2zit n PRO 545 Cb 0.61 -2.63 0.46 0.00 -0.02 0.00 0.00 33.50 31.92 2zit n PRO 545 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2zit h GLU 546 N 5.87 0.45 -3.03 -0.52 4.81 -1.60 -1.93 114.58 118.62 2zit h GLU 546 Ca -0.45 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 2zit h GLU 546 Cb 1.24 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2zit h GLU 546 CO 0.88 0.30 0.23 -1.83 -0.73 0.00 0.00 179.01 177.86 2zit s GLU 547 N -5.43 1.93 0.04 1.92 4.04 -1.26 -4.45 118.70 115.50 2zit s GLU 547 Ca -0.08 -1.16 -0.36 0.00 0.04 0.00 0.00 54.97 53.42 2zit s GLU 547 Cb 0.18 0.61 -0.15 0.00 0.02 0.00 0.00 34.13 34.79 2zit s GLU 547 CO 0.73 -0.89 1.56 -1.91 -1.84 0.00 0.00 175.26 172.91 2zit n GLU 548 N -0.48 1.68 -1.32 -4.83 2.13 -1.26 -0.54 120.64 116.02 2zit n GLU 548 Ca -0.05 0.61 -0.11 0.00 0.66 0.00 0.00 57.16 58.27 2zit n GLU 548 Cb 0.59 -2.33 -0.05 0.00 0.27 0.00 0.00 31.44 29.92 2zit n GLU 548 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2zit n GLY 549 N 3.35 1.10 0.95 8.31 0.00 -1.26 -4.96 105.19 112.68 2zit n GLY 549 Ca 0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 2zit n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zit n GLY 550 N -0.33 1.41 3.86 -0.02 0.00 0.30 -5.10 105.19 105.32 2zit n GLY 550 Ca -0.11 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 2zit n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2zit s ARG 551 N -2.82 3.89 0.45 1.61 0.52 -1.26 -4.71 118.95 116.63 2zit s ARG 551 Ca 0.15 0.53 -0.24 0.00 -0.52 0.00 0.00 55.73 55.66 2zit s ARG 551 Cb -0.01 -2.45 -0.08 0.00 0.52 0.00 0.00 34.95 32.93 2zit s ARG 551 CO 0.10 0.12 1.21 -0.51 0.02 0.00 0.00 175.30 176.24 2zit s LEU 552 N -3.24 4.07 0.02 2.53 1.43 -1.26 -1.68 118.68 120.55 2zit s LEU 552 Ca 0.52 2.42 0.02 0.00 -1.03 0.00 0.00 54.13 56.06 2zit s LEU 552 Cb -0.10 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 41.96 2zit s LEU 552 CO 0.22 -0.92 -0.06 -1.83 0.23 0.00 0.00 176.35 174.00 2zit s GLU 553 N -2.55 0.42 -0.13 1.70 -1.05 0.08 -4.41 118.70 112.78 2zit s GLU 553 Ca 0.62 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 2zit s GLU 553 Cb -0.32 -0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.12 2zit s GLU 553 CO 0.39 0.05 -0.14 0.99 0.95 0.00 0.00 175.26 177.50 2zit s THR 554 N -0.97 2.96 -0.26 1.83 2.01 0.94 -1.96 115.64 120.19 2zit s THR 554 Ca -0.07 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.16 2zit s THR 554 Cb -0.07 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 2zit s THR 554 CO -0.00 0.53 0.07 -0.63 -0.69 0.00 0.00 174.62 173.90 2zit s ILE 555 N 0.34 4.18 -0.28 1.82 1.01 0.02 -1.03 121.20 127.25 2zit s ILE 555 Ca -0.12 -0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 2zit s ILE 555 Cb -0.16 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2zit s ILE 555 CO 0.06 0.28 0.28 -0.76 0.00 0.00 0.00 174.94 174.80 2zit s LEU 556 N 1.58 4.07 0.22 2.97 1.43 0.27 -2.05 118.68 127.18 2zit s LEU 556 Ca 0.05 0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 52.93 2zit s LEU 556 Cb -0.16 -2.26 -0.15 0.00 0.03 0.00 0.00 46.19 43.65 2zit s LEU 556 CO 0.03 -0.13 1.07 0.61 0.23 0.00 0.00 176.35 178.16 2zit n GLY 557 N 4.90 -0.16 0.29 -3.19 0.00 -0.54 -0.57 105.19 105.91 2zit n GLY 557 Ca -0.11 0.44 0.08 0.00 0.00 0.00 0.00 46.02 46.44 2zit n GLY 557 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2zit h TRP 558 N 2.72 0.22 -0.65 1.61 4.06 -1.72 0.19 115.95 122.38 2zit h TRP 558 Ca -0.41 0.05 0.09 0.00 2.06 0.00 0.00 58.89 60.68 2zit h TRP 558 Cb 1.35 0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 29.47 2zit h TRP 558 CO 0.51 -0.18 0.29 -1.35 -3.56 0.00 0.00 178.44 174.15 2zit h PRO 559 N 0.20 0.48 -0.43 0.49 0.11 -1.86 0.78 132.00 131.77 2zit h PRO 559 Ca 0.47 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.42 2zit h PRO 559 Cb 0.88 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 2zit h PRO 559 CO -0.61 0.32 -0.23 1.25 -0.21 0.00 0.00 178.00 178.51 2zit h LEU 560 N 0.50 0.92 -0.79 2.35 5.85 -0.79 -3.15 115.31 120.20 2zit h LEU 560 Ca 0.33 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2zit h LEU 560 Cb 0.37 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2zit h LEU 560 CO -0.29 1.11 0.39 0.00 -0.34 0.00 0.00 178.44 179.31 2zit h ALA 561 N 0.95 1.02 0.00 1.25 0.00 0.37 -1.27 119.26 121.58 2zit h ALA 561 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2zit h ALA 561 Cb 0.79 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2zit h ALA 561 CO 0.07 0.58 0.00 0.39 0.00 0.00 0.00 179.25 180.29 2zit n GLU 562 N -4.36 0.29 -0.15 0.00 1.02 0.16 -1.55 120.64 116.04 2zit n GLU 562 Ca 0.07 0.11 0.07 0.00 -0.02 0.00 0.00 57.16 57.39 2zit n GLU 562 Cb 0.13 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.20 2zit n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2zit n ARG 563 N -1.22 2.23 -1.81 3.49 5.12 -0.49 -4.83 116.66 119.15 2zit n ARG 563 Ca 0.08 -1.92 -0.29 0.00 -1.93 0.00 0.00 57.85 53.80 2zit n ARG 563 Cb 0.11 -1.31 0.14 0.00 -1.16 0.00 0.00 32.46 30.23 2zit n ARG 563 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2zit s THR 564 N -1.05 1.98 -0.16 0.55 -4.23 -0.59 -4.46 115.64 107.67 2zit s THR 564 Ca 0.25 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.73 2zit s THR 564 Cb 0.14 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 71.10 2zit s THR 564 CO 0.19 0.00 0.05 -0.69 -0.54 0.00 0.00 174.62 173.63 2zit s VAL 565 N -3.62 0.24 -0.12 2.29 1.01 0.18 -4.85 120.40 115.53 2zit s VAL 565 Ca 0.67 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 2zit s VAL 565 Cb -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2zit s VAL 565 CO 0.51 -0.16 0.06 -0.69 0.00 0.00 0.00 175.10 174.83 2zit s VAL 566 N 1.99 4.83 0.09 2.92 1.01 -1.26 -1.74 120.40 128.24 2zit s VAL 566 Ca 0.01 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.00 2zit s VAL 566 Cb -0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2zit s VAL 566 CO -0.08 0.57 -0.12 0.27 0.00 0.00 0.00 175.10 175.74 2zit s ILE 567 N -0.57 1.04 0.64 2.22 -4.36 -0.30 -4.63 121.20 115.24 2zit s ILE 567 Ca 0.11 -1.50 -0.17 0.00 -0.26 0.00 0.00 60.65 58.82 2zit s ILE 567 Cb -0.12 -1.24 -0.04 0.00 1.25 0.00 0.00 42.46 42.31 2zit s ILE 567 CO 0.02 -0.41 0.85 -2.65 0.24 0.00 0.00 174.94 173.00 2zit n PRO 568 N 0.86 0.69 -3.78 0.37 -0.02 -1.26 0.43 135.00 132.28 2zit n PRO 568 Ca -0.18 0.28 -0.28 0.00 -2.02 0.00 0.00 63.50 61.29 2zit n PRO 568 Cb 0.56 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 2zit n PRO 568 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2zit s SER 569 N -1.35 6.39 0.00 2.55 0.15 -0.40 -4.53 113.70 116.51 2zit s SER 569 Ca 0.74 0.36 0.29 0.00 0.70 0.00 0.00 55.95 58.04 2zit s SER 569 Cb -0.40 -1.99 1.24 0.00 -1.71 0.00 0.00 66.02 63.16 2zit s SER 569 CO 0.49 0.03 1.93 0.00 1.20 0.00 0.00 173.24 176.89 2zit n ALA 570 N -0.37 2.33 -2.60 5.45 0.00 -1.26 -4.69 120.51 119.37 2zit n ALA 570 Ca -0.05 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 2zit n ALA 570 Cb 0.53 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 2zit n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2zit s ILE 571 N -2.99 4.24 0.53 0.00 1.01 -1.26 -4.82 121.20 117.90 2zit s ILE 571 Ca 0.14 1.28 -0.16 0.00 0.00 0.00 0.00 60.65 61.92 2zit s ILE 571 Cb 0.19 -4.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.00 2zit s ILE 571 CO 0.53 -0.95 0.98 -2.16 0.00 0.00 0.00 174.94 173.34 2zit s PRO 572 N 4.37 3.89 0.29 2.79 0.04 -1.26 -4.43 135.00 140.70 2zit s PRO 572 Ca 0.48 0.91 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 2zit s PRO 572 Cb -0.08 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2zit s PRO 572 CO 0.30 -0.30 0.50 0.95 0.04 0.00 0.00 177.00 178.49 2zit s THR 573 N -2.69 5.12 -0.36 1.26 -4.23 -1.26 -5.00 115.64 108.47 2zit s THR 573 Ca 0.58 -0.34 -0.17 0.00 -1.18 0.00 0.00 61.69 60.58 2zit s THR 573 Cb -0.10 -3.80 -0.00 0.00 1.34 0.00 0.00 72.50 69.94 2zit s THR 573 CO 0.34 -0.40 0.44 -0.62 -0.54 0.00 0.00 174.62 173.85 2zit s ASP 574 N -3.62 6.24 0.39 3.99 -1.08 -1.26 -4.92 116.67 116.42 2zit s ASP 574 Ca 0.40 -0.22 0.26 0.00 -0.52 0.00 0.00 52.55 52.48 2zit s ASP 574 Cb -0.10 -2.23 0.71 0.00 -1.46 0.00 0.00 42.92 39.83 2zit s ASP 574 CO 0.33 -0.44 1.73 1.55 0.52 0.00 0.00 175.17 178.85 2zit h PRO 575 N 8.51 0.00 -0.49 4.34 0.13 -1.97 -2.96 132.00 139.57 2zit h PRO 575 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2zit h PRO 575 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2zit h PRO 575 CO 0.75 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.39 2zit n ARG 576 N -2.83 2.78 -2.70 0.86 0.63 -1.26 -4.46 116.66 109.68 2zit n ARG 576 Ca 0.04 -2.28 -0.05 0.00 -0.92 0.00 0.00 57.85 54.63 2zit n ARG 576 Cb 0.44 -1.39 0.10 0.00 0.45 0.00 0.00 32.46 32.06 2zit n ARG 576 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2zit n ASN 577 N 0.97 -0.94 -4.68 6.15 2.85 -1.19 -5.11 115.26 113.32 2zit n ASN 577 Ca 0.17 -2.40 -0.42 0.00 -0.11 0.00 0.00 54.58 51.82 2zit n ASN 577 Cb 0.50 0.55 -0.03 0.00 1.24 0.00 0.00 39.78 42.04 2zit n ASN 577 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2zit s VAL 578 N -0.72 2.97 0.00 3.44 1.01 -1.12 -1.87 120.40 124.11 2zit s VAL 578 Ca 0.20 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2zit s VAL 578 Cb 0.42 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2zit s VAL 578 CO -0.08 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.62 2zit n GLY 579 N 4.27 1.47 3.71 4.51 0.00 -1.26 -5.09 105.19 112.80 2zit n GLY 579 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2zit n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zit s GLY 580 N -2.14 1.57 0.12 -0.02 0.00 -0.78 -5.04 107.32 101.03 2zit s GLY 580 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 44.72 44.10 2zit s GLY 580 CO 0.00 0.12 0.46 0.99 0.00 0.00 0.00 173.10 174.67 2zit s ASP 581 N -3.74 6.68 -0.05 1.64 1.11 -1.26 -4.89 116.67 116.14 2zit s ASP 581 Ca 0.66 0.87 -0.29 0.00 0.18 0.00 0.00 52.55 53.96 2zit s ASP 581 Cb -0.16 -2.21 -0.07 0.00 1.07 0.00 0.00 42.92 41.55 2zit s ASP 581 CO 0.56 0.11 1.95 -0.22 1.18 0.00 0.00 175.17 178.75 2zit s LEU 582 N -2.12 4.16 -0.29 1.23 2.96 -1.26 -4.94 118.68 118.42 2zit s LEU 582 Ca 0.37 2.36 -0.29 0.00 -0.22 0.00 0.00 54.13 56.35 2zit s LEU 582 Cb -0.14 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.03 2zit s LEU 582 CO 0.19 -1.25 1.20 -0.62 -1.32 0.00 0.00 176.35 174.55 2zit s ASP 583 N 5.13 6.82 0.62 3.68 2.15 -1.26 -4.90 116.67 128.91 2zit s ASP 583 Ca 0.88 1.22 0.28 0.00 0.43 0.00 0.00 52.55 55.36 2zit s ASP 583 Cb -0.38 -2.54 1.49 0.00 -0.30 0.00 0.00 42.92 41.19 2zit s ASP 583 CO 0.38 -0.95 1.88 -0.65 -0.17 0.00 0.00 175.17 175.66 2zit h PRO 584 N 8.62 0.00 -0.00 4.34 0.11 -1.99 0.23 132.00 143.31 2zit h PRO 584 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2zit h PRO 584 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2zit h PRO 584 CO 1.02 0.00 -0.05 -1.13 -0.21 0.00 0.00 178.00 177.64 2zit n SER 585 N -3.38 0.07 -0.60 -2.05 3.41 -1.26 -2.94 113.62 106.87 2zit n SER 585 Ca 0.04 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 58.96 2zit n SER 585 Cb 0.57 -0.36 0.37 0.00 -0.26 0.00 0.00 64.21 64.54 2zit n SER 585 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2zit n SER 586 N -1.41 1.82 -4.52 4.04 3.41 0.80 -4.78 113.62 112.98 2zit n SER 586 Ca 0.09 -1.71 -0.42 0.00 -0.26 0.00 0.00 58.87 56.57 2zit n SER 586 Cb 0.31 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 2zit n SER 586 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2zit s ILE 587 N -1.80 5.07 -0.02 -1.33 1.01 -1.15 -4.59 121.20 118.39 2zit s ILE 587 Ca 0.33 -0.05 -0.36 0.00 0.00 0.00 0.00 60.65 60.58 2zit s ILE 587 Cb 0.18 -3.97 -0.14 0.00 0.01 0.00 0.00 42.46 38.54 2zit s ILE 587 CO 0.28 -0.30 1.67 -2.65 0.00 0.00 0.00 174.94 173.94 2zit n PRO 588 N 5.62 1.81 -0.12 2.79 -0.02 -1.26 -4.83 135.00 138.99 2zit n PRO 588 Ca -0.07 0.66 0.25 0.00 -2.02 0.00 0.00 63.50 62.32 2zit n PRO 588 Cb 0.48 -2.42 0.70 0.00 -0.02 0.00 0.00 33.50 32.24 2zit n PRO 588 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2zit h ASP 589 N 7.07 0.03 0.58 2.55 3.32 -1.96 0.11 116.42 128.12 2zit h ASP 589 Ca -0.47 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 2zit h ASP 589 Cb 1.29 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 2zit h ASP 589 CO 0.90 0.01 -0.58 0.11 -1.72 0.00 0.00 179.24 177.97 2zit h LYS 590 N 0.03 0.00 0.10 3.56 1.57 -1.99 -2.72 116.57 117.12 2zit h LYS 590 Ca 0.37 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.86 2zit h LYS 590 Cb 1.43 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.76 2zit h LYS 590 CO -0.02 0.58 -1.20 1.49 -0.57 0.00 0.00 179.45 179.73 2zit h GLU 591 N 0.00 0.53 -0.56 3.15 4.81 -1.16 -3.22 114.58 118.14 2zit h GLU 591 Ca -0.01 -0.71 0.06 0.00 -0.13 0.00 0.00 59.36 58.57 2zit h GLU 591 Cb 1.02 0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2zit h GLU 591 CO 0.07 1.31 0.37 0.37 -0.73 0.00 0.00 179.01 180.40 2zit h GLN 592 N 0.24 0.49 -0.49 1.92 5.75 -1.33 -2.07 115.11 119.63 2zit h GLN 592 Ca -0.16 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.20 2zit h GLN 592 Cb 1.87 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 30.29 2zit h GLN 592 CO 0.22 0.33 -0.13 0.00 -2.65 0.00 0.00 178.83 176.60 2zit h ALA 593 N 1.70 0.86 -0.01 3.38 0.00 -1.49 -2.78 119.26 120.92 2zit h ALA 593 Ca 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2zit h ALA 593 Cb 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2zit h ALA 593 CO -0.07 0.64 -0.03 0.44 0.00 0.00 0.00 179.25 180.24 2zit n ILE 594 N -4.14 0.00 -1.11 0.00 -5.35 -0.91 -4.30 119.36 103.54 2zit n ILE 594 Ca 0.01 -0.21 -0.27 0.00 -0.27 0.00 0.00 62.75 62.01 2zit n ILE 594 Cb 0.40 0.40 0.07 0.00 -1.74 0.00 0.00 39.64 38.76 2zit n ILE 594 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2zit n SER 595 N -0.02 6.81 -4.80 7.28 7.64 -0.83 -4.94 113.62 124.76 2zit n SER 595 Ca 0.19 -3.47 -0.38 0.00 1.01 0.00 0.00 58.87 56.22 2zit n SER 595 Cb 0.33 -0.98 -0.06 0.00 -1.01 0.00 0.00 64.21 62.49 2zit n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2zit s ALA 596 N -2.97 3.46 0.04 -0.43 0.00 -1.26 -5.03 121.76 115.57 2zit s ALA 596 Ca 0.51 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2zit s ALA 596 Cb 0.40 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 2zit s ALA 596 CO 0.00 0.33 0.15 -0.51 0.00 0.00 0.00 175.76 175.73 2zit s LEU 597 N -1.57 4.14 0.69 0.00 1.43 -1.26 -4.81 118.68 117.29 2zit s LEU 597 Ca 0.38 0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 2zit s LEU 597 Cb -0.19 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.40 2zit s LEU 597 CO 0.22 0.21 1.17 -2.84 0.23 0.00 0.00 176.35 175.34 2zit s PRO 598 N -2.22 2.49 -0.23 1.29 0.02 -1.26 -4.98 135.00 130.10 2zit s PRO 598 Ca 0.30 1.63 -0.27 0.00 0.02 0.00 0.00 61.00 62.68 2zit s PRO 598 Cb -0.13 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2zit s PRO 598 CO 0.22 -1.54 0.95 -0.51 -0.33 0.00 0.00 177.00 175.79 2zit s ASP 599 N -2.17 6.99 0.05 2.53 1.11 -1.26 -5.03 116.67 118.88 2zit s ASP 599 Ca 0.72 1.24 -0.17 0.00 0.18 0.00 0.00 52.55 54.51 2zit s ASP 599 Cb -0.26 -2.50 -0.06 0.00 1.07 0.00 0.00 42.92 41.17 2zit s ASP 599 CO 0.42 -0.60 0.50 -0.31 1.18 0.00 0.00 175.17 176.36 2zit s TYR 600 N 3.04 3.77 0.36 4.23 2.02 -1.26 -5.05 117.35 124.46 2zit s TYR 600 Ca 0.40 1.16 -0.28 0.00 -0.37 0.00 0.00 57.07 57.98 2zit s TYR 600 Cb -0.15 -2.41 -0.10 0.00 -0.40 0.00 0.00 41.96 38.89 2zit s TYR 600 CO 0.07 0.61 1.37 0.00 -1.57 0.00 0.00 175.55 176.02 2zit s ALA 601 N -1.11 3.48 -1.33 3.71 0.00 -1.13 -4.71 121.76 120.67 2zit s ALA 601 Ca 0.27 1.37 0.19 0.00 0.00 0.00 0.00 51.96 53.79 2zit s ALA 601 Cb -0.18 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.31 2zit s ALA 601 CO 0.17 -0.82 0.88 -1.13 0.00 0.00 0.00 175.76 174.85 2zit n SER 602 N 0.56 1.37 -4.23 0.00 3.41 -1.26 -1.98 113.62 111.48 2zit n SER 602 Ca 0.01 -1.18 -0.18 0.00 -0.26 0.00 0.00 58.87 57.26 2zit n SER 602 Cb 0.41 0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 64.97 2zit n SER 602 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2zit s GLN 603 N -2.44 0.99 1.02 4.33 -1.52 -1.26 -4.85 119.66 115.93 2zit s GLN 603 Ca 0.12 -1.21 -0.13 0.00 -1.95 0.00 0.00 55.36 52.19 2zit s GLN 603 Cb 0.15 -0.87 0.14 0.00 -0.22 0.00 0.00 33.01 32.20 2zit s GLN 603 CO 0.61 0.17 0.71 -2.30 -0.25 0.00 0.00 175.29 174.23 2zit n PRO 604 N 0.60 -1.04 0.00 2.91 -0.02 -1.26 -5.04 135.00 131.15 2zit n PRO 604 Ca -0.16 -0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.20 2zit n PRO 604 Cb 0.57 -2.07 0.55 0.00 -0.02 0.00 0.00 33.50 32.53 2zit n PRO 604 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89