#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 0.20 1.38 0.00 3.72 -1.26 -4.65 117.46 116.85 2zit n PHE 400 Ca 0.00 -0.63 0.14 0.00 -0.05 0.00 0.00 57.45 56.91 2zit n PHE 400 Cb 0.00 -0.09 0.49 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.43 1.00 0.00 4.37 4.77 -1.26 -4.72 117.00 120.73 2zit n LEU 401 Ca 0.08 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2zit n LEU 401 Cb 0.43 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2zit n LEU 401 CO 0.04 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2zit n GLY 402 N 1.27 -2.10 3.82 -0.72 0.00 -1.26 -4.76 105.19 101.44 2zit n GLY 402 Ca 0.15 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 2zit n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2zit s ASP 403 N -3.94 6.57 0.00 1.61 1.01 -1.26 -4.98 116.67 115.67 2zit s ASP 403 Ca 0.00 0.67 0.00 0.00 0.71 0.00 0.00 52.55 53.93 2zit s ASP 403 Cb 0.00 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.76 2zit s ASP 403 CO 0.00 0.29 0.00 0.61 0.21 0.00 0.00 175.17 176.28 2zit n GLY 404 N 2.33 -0.36 3.99 0.21 0.00 -1.26 -4.93 105.19 105.18 2zit n GLY 404 Ca -0.15 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 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 1.76 0.06 -0.02 0.00 -1.26 -5.00 107.32 102.85 2zit s GLY 405 Ca 0.00 -1.75 -0.32 0.00 0.00 0.00 0.00 44.72 42.65 2zit s GLY 405 CO 0.00 -1.10 1.88 1.22 0.00 0.00 0.00 173.10 175.10 2zit n ASP 406 N -3.04 3.92 -4.68 1.64 10.43 -1.26 -4.93 116.55 118.63 2zit n ASP 406 Ca 0.16 0.96 -0.40 0.00 2.57 0.00 0.00 54.79 58.08 2zit n ASP 406 Cb 0.60 -1.50 -0.05 0.00 1.84 0.00 0.00 41.12 42.01 2zit n ASP 406 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2zit s VAL 407 N 3.48 5.02 0.10 2.53 1.01 -1.26 -4.58 120.40 126.69 2zit s VAL 407 Ca 0.86 1.29 -0.00 0.00 0.00 0.00 0.00 61.98 64.13 2zit s VAL 407 Cb -0.52 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 2zit s VAL 407 CO 0.42 0.15 -0.01 -0.94 0.00 0.00 0.00 175.10 174.71 2zit s SER 408 N 1.06 0.65 -0.09 3.32 1.04 -1.23 -4.99 113.70 113.46 2zit s SER 408 Ca 0.32 -1.08 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 2zit s SER 408 Cb -0.16 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 2zit s SER 408 CO 0.12 -0.61 -0.02 -0.36 0.98 0.00 0.00 173.24 173.36 2zit s PHE 409 N -3.87 3.09 0.19 5.02 0.08 -1.26 -0.49 117.98 120.74 2zit s PHE 409 Ca 0.15 0.09 -0.12 0.00 0.12 0.00 0.00 56.93 57.17 2zit s PHE 409 Cb 0.07 -1.79 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 2zit s PHE 409 CO -0.04 0.37 0.38 -1.54 -0.10 0.00 0.00 175.22 174.29 2zit s SER 410 N -0.70 -0.06 0.25 1.36 1.04 -1.22 -4.96 113.70 109.40 2zit s SER 410 Ca 0.11 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.70 2zit s SER 410 Cb -0.12 0.50 0.36 0.00 0.10 0.00 0.00 66.02 66.87 2zit s SER 410 CO 0.02 -0.99 1.84 0.74 0.98 0.00 0.00 173.24 175.84 2zit h THR 411 N 2.39 1.01 0.00 2.02 2.02 -1.95 -0.68 112.91 117.72 2zit h THR 411 Ca -0.30 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2zit h THR 411 Cb 1.24 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2zit h THR 411 CO 0.43 0.17 0.00 0.54 0.37 0.00 0.00 175.52 177.03 2zit n ARG 412 N -4.64 0.05 0.00 6.66 1.74 -1.26 -4.64 116.66 114.57 2zit n ARG 412 Ca 0.13 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2zit n ARG 412 Cb 0.21 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 2zit n ARG 412 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zit n GLY 413 N -0.93 2.78 3.77 -0.13 0.00 -0.26 -5.05 105.19 105.37 2zit n GLY 413 Ca 0.01 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 2zit n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2zit s THR 414 N -2.40 2.35 -0.02 2.61 2.01 -1.26 -3.41 115.64 115.51 2zit s THR 414 Ca 0.00 0.33 -0.13 0.00 0.31 0.00 0.00 61.69 62.20 2zit s THR 414 Cb 0.00 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 2zit s THR 414 CO 0.00 0.07 0.36 -1.10 -0.69 0.00 0.00 174.62 173.27 2zit s GLN 415 N -1.53 3.84 -1.41 4.92 -1.52 0.36 -4.35 119.66 119.97 2zit s GLN 415 Ca 0.54 0.32 -0.10 0.00 -1.95 0.00 0.00 55.36 54.17 2zit s GLN 415 Cb -0.44 -3.22 0.03 0.00 -0.22 0.00 0.00 33.01 29.16 2zit s GLN 415 CO 0.55 0.70 1.10 0.09 -0.25 0.00 0.00 175.29 177.48 2zit n ASN 416 N 1.86 -6.01 -3.56 5.90 3.02 -1.26 -3.53 115.26 111.68 2zit n ASN 416 Ca -0.15 -0.58 -0.29 0.00 -0.03 0.00 0.00 54.58 53.54 2zit n ASN 416 Cb 0.53 -4.75 -0.12 0.00 -0.61 0.00 0.00 39.78 34.83 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 -3.30 1.44 0.78 3.10 -0.11 -1.26 -4.63 118.94 114.95 2zit s TRP 417 Ca 0.59 -2.20 -0.09 0.00 1.22 0.00 0.00 56.10 55.62 2zit s TRP 417 Cb -0.27 -1.36 0.10 0.00 -1.50 0.00 0.00 33.47 30.44 2zit s TRP 417 CO 0.73 -0.79 1.11 0.95 -4.62 0.00 0.00 176.95 174.33 2zit s THR 418 N 0.37 2.14 0.20 5.86 -4.23 -1.26 -4.89 115.64 113.84 2zit s THR 418 Ca 0.22 -0.19 0.15 0.00 -1.18 0.00 0.00 61.69 60.70 2zit s THR 418 Cb -0.15 -2.95 0.07 0.00 1.34 0.00 0.00 72.50 70.81 2zit s THR 418 CO -0.06 0.00 1.68 0.58 -0.54 0.00 0.00 174.62 176.27 2zit h VAL 419 N -0.91 1.11 -0.21 2.29 2.07 -1.99 -2.77 116.25 115.85 2zit h VAL 419 Ca -0.44 -1.78 -0.18 0.00 0.82 0.00 0.00 66.70 65.11 2zit h VAL 419 Cb 1.30 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2zit h VAL 419 CO 0.55 0.47 -0.60 -0.33 0.02 0.00 0.00 177.57 177.68 2zit h GLU 420 N 0.00 0.71 -0.31 1.57 4.39 -2.00 -1.93 114.58 117.01 2zit h GLU 420 Ca -0.00 -0.48 -0.09 0.00 0.34 0.00 0.00 59.36 59.12 2zit h GLU 420 Cb 0.99 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2zit h GLU 420 CO 0.06 1.10 -0.21 -0.09 -1.16 0.00 0.00 179.01 178.71 2zit h ARG 421 N 0.53 0.58 0.08 2.33 2.43 -1.90 -2.62 114.38 115.82 2zit h ARG 421 Ca -0.00 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2zit h ARG 421 Cb 1.18 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2zit h ARG 421 CO 0.12 0.75 -0.04 1.25 -1.51 0.00 0.00 179.97 180.54 2zit h LEU 422 N 0.51 -0.10 -1.44 3.80 5.85 -1.36 -1.21 115.31 121.36 2zit h LEU 422 Ca 0.08 -0.17 0.17 0.00 0.84 0.00 0.00 57.88 58.80 2zit h LEU 422 Cb 0.64 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 2zit h LEU 422 CO 0.05 0.11 0.56 -0.07 -0.34 0.00 0.00 178.44 178.75 2zit h LEU 423 N -0.31 0.50 0.29 2.25 3.38 -1.23 0.42 115.31 120.61 2zit h LEU 423 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2zit h LEU 423 Cb 0.26 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2zit h LEU 423 CO 0.02 0.23 -0.14 -0.61 0.09 0.00 0.00 178.44 178.03 2zit h GLN 424 N 0.52 -0.38 -0.83 1.13 4.15 -1.21 -2.14 115.11 116.35 2zit h GLN 424 Ca 0.44 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.89 2zit h GLN 424 Cb 0.91 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.65 2zit h GLN 424 CO -0.18 -0.05 0.53 0.00 -1.93 0.00 0.00 178.83 177.21 2zit h ALA 425 N -0.22 1.39 0.12 3.38 0.00 -0.16 0.17 119.26 123.94 2zit h ALA 425 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2zit h ALA 425 Cb 0.50 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2zit h ALA 425 CO 0.07 0.56 -0.06 1.25 0.00 0.00 0.00 179.25 181.07 2zit h HIS 426 N 1.12 -0.15 0.19 0.00 -0.00 -0.25 -1.52 115.15 114.54 2zit h HIS 426 Ca 0.30 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.67 2zit h HIS 426 Cb -0.11 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 2zit h HIS 426 CO 0.00 -0.04 -0.23 -0.09 -0.00 0.00 0.00 177.93 177.58 2zit h ARG 427 N -0.23 -0.45 -0.06 5.26 2.43 -0.78 -0.97 114.38 119.57 2zit h ARG 427 Ca -0.02 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2zit h ARG 427 Cb 0.18 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2zit h ARG 427 CO 0.03 -0.30 0.07 1.96 -1.51 0.00 0.00 179.97 180.22 2zit h GLN 428 N -0.46 0.00 -0.02 0.20 4.20 -0.96 0.83 115.11 118.90 2zit h GLN 428 Ca 0.01 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2zit h GLN 428 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2zit h GLN 428 CO -0.07 0.00 -0.27 -0.07 -0.67 0.00 0.00 178.83 177.75 2zit h LEU 429 N 0.00 0.27 -1.27 1.46 3.38 -0.45 -2.97 115.31 115.74 2zit h LEU 429 Ca 0.03 -0.73 0.05 0.00 0.09 0.00 0.00 57.88 57.32 2zit h LEU 429 Cb 0.17 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2zit h LEU 429 CO -0.00 0.96 0.52 -0.33 0.09 0.00 0.00 178.44 179.68 2zit h GLU 430 N -0.40 0.90 0.00 1.13 5.08 -0.27 -1.28 114.58 119.74 2zit h GLU 430 Ca -0.03 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2zit h GLU 430 Cb 0.98 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2zit h GLU 430 CO 0.05 0.60 -0.14 0.93 -1.00 0.00 0.00 179.01 179.45 2zit h GLU 431 N 0.93 0.00 -0.09 2.33 5.08 -0.87 -2.00 114.58 119.97 2zit h GLU 431 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2zit h GLU 431 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2zit h GLU 431 CO -0.10 0.14 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 2zit n ARG 432 N -4.28 1.85 -0.52 2.33 1.74 -0.73 -4.92 116.66 112.12 2zit n ARG 432 Ca -0.03 -1.25 0.00 0.00 -0.77 0.00 0.00 57.85 55.81 2zit n ARG 432 Cb 0.21 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 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 1.22 1.24 3.90 -0.13 0.00 -0.75 -5.01 105.19 105.66 2zit n GLY 433 Ca 0.17 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 3.29 -0.02 1.61 1.51 -0.56 -0.80 117.35 120.39 2zit s TYR 434 Ca 0.00 -0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 2zit s TYR 434 Cb 0.00 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 2zit s TYR 434 CO 0.00 0.48 0.04 0.54 -1.11 0.00 0.00 175.55 175.50 2zit s VAL 435 N -2.01 -0.03 0.15 0.71 0.11 0.37 -3.99 120.40 115.71 2zit s VAL 435 Ca 0.33 0.12 -0.31 0.00 -2.93 0.00 0.00 61.98 59.20 2zit s VAL 435 Cb -0.09 -0.08 -0.08 0.00 -1.53 0.00 0.00 36.38 34.60 2zit s VAL 435 CO 0.27 0.05 1.32 0.12 -3.33 0.00 0.00 175.10 173.53 2zit s PHE 436 N 0.64 3.28 0.00 1.54 5.36 -1.26 -1.31 117.98 126.23 2zit s PHE 436 Ca -0.05 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 2zit s PHE 436 Cb -0.07 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.00 2zit s PHE 436 CO -0.02 -1.99 0.08 1.33 -1.46 0.00 0.00 175.22 173.16 2zit n VAL 437 N 3.32 0.00 0.00 3.12 0.24 -0.40 -4.50 118.33 120.12 2zit n VAL 437 Ca 0.09 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2zit n VAL 437 Cb 0.43 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 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 0.62 -0.05 3.86 7.63 0.00 -1.24 -4.49 105.19 111.52 2zit n GLY 438 Ca 0.00 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.75 3.30 -0.14 1.61 2.02 0.14 -0.53 117.35 122.00 2zit s TYR 439 Ca 0.00 0.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.72 2zit s TYR 439 Cb 0.00 -1.59 0.05 0.00 -0.40 0.00 0.00 41.96 40.02 2zit s TYR 439 CO 0.00 0.52 0.05 -1.58 -1.57 0.00 0.00 175.55 172.97 2zit s HIS 440 N -1.73 0.57 0.04 2.71 5.65 -0.24 -0.37 115.29 121.91 2zit s HIS 440 Ca 0.32 -0.41 -0.19 0.00 0.25 0.00 0.00 55.06 55.03 2zit s HIS 440 Cb -0.11 -0.81 -0.06 0.00 -1.18 0.00 0.00 32.58 30.42 2zit s HIS 440 CO 0.26 -0.47 0.56 0.20 -0.65 0.00 0.00 174.74 174.64 2zit s GLY 441 N 2.01 2.64 0.27 1.59 0.00 -1.21 -1.64 107.32 110.98 2zit s GLY 441 Ca 0.02 0.01 -0.20 0.00 0.00 0.00 0.00 44.72 44.55 2zit s GLY 441 CO -0.07 0.54 0.89 -1.08 0.00 0.00 0.00 173.10 173.38 2zit s THR 442 N -0.80 0.00 0.64 0.90 -1.32 -1.04 -4.27 115.64 109.76 2zit s THR 442 Ca 0.29 -0.81 -0.11 0.00 -1.21 0.00 0.00 61.69 59.86 2zit s THR 442 Cb -0.19 -2.64 -0.02 0.00 -1.51 0.00 0.00 72.50 68.14 2zit s THR 442 CO 0.18 0.00 1.04 0.72 -2.21 0.00 0.00 174.62 174.35 2zit s PHE 443 N -2.60 3.49 0.06 9.09 -0.71 -1.26 -0.78 117.98 125.27 2zit s PHE 443 Ca 0.17 1.14 -0.16 0.00 -1.04 0.00 0.00 56.93 57.04 2zit s PHE 443 Cb -0.04 -2.84 -0.06 0.00 -1.21 0.00 0.00 43.02 38.88 2zit s PHE 443 CO 0.07 -0.87 1.26 -0.07 -1.34 0.00 0.00 175.22 174.28 2zit h LEU 444 N -0.42 -0.83 -1.77 -1.99 3.38 -1.89 -1.30 115.31 110.50 2zit h LEU 444 Ca -0.45 0.10 0.19 0.00 0.09 0.00 0.00 57.88 57.82 2zit h LEU 444 Cb 1.22 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 42.25 2zit h LEU 444 CO 0.63 -0.22 0.53 -0.33 0.09 0.00 0.00 178.44 179.14 2zit h GLU 445 N -0.25 0.20 -0.26 1.13 3.07 -1.94 -0.33 114.58 116.20 2zit h GLU 445 Ca 0.02 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 2zit h GLU 445 Cb 0.31 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2zit h GLU 445 CO -0.22 0.13 0.00 0.00 -1.40 0.00 0.00 179.01 177.52 2zit h ALA 446 N 1.64 0.35 0.30 3.43 0.00 -1.64 -2.40 119.26 120.93 2zit h ALA 446 Ca 0.38 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2zit h ALA 446 Cb 1.18 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2zit h ALA 446 CO -0.08 0.08 -0.24 0.00 0.00 0.00 0.00 179.25 179.02 2zit h ALA 447 N 0.82 -0.53 -0.85 0.00 0.00 -0.37 -0.61 119.26 117.72 2zit h ALA 447 Ca 0.07 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.08 2zit h ALA 447 Cb 0.41 0.32 -0.16 0.00 0.00 0.00 0.00 17.79 18.36 2zit h ALA 447 CO 0.01 -0.82 -0.09 0.37 0.00 0.00 0.00 179.25 178.72 2zit h GLN 448 N -0.54 0.03 0.63 0.00 5.75 -1.35 0.70 115.11 120.33 2zit h GLN 448 Ca -0.02 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 2zit h GLN 448 Cb 0.48 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 29.02 2zit h GLN 448 CO -0.01 0.02 -0.30 1.03 -2.65 0.00 0.00 178.83 176.92 2zit h SER 449 N 0.04 -0.71 -0.42 -0.69 0.87 -0.89 -0.58 113.55 111.16 2zit h SER 449 Ca 0.45 -0.01 0.08 0.00 -1.23 0.00 0.00 61.79 61.08 2zit h SER 449 Cb 0.78 0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.85 2zit h SER 449 CO -0.82 -0.44 -0.06 0.40 -0.53 0.00 0.00 176.83 175.38 2zit h ILE 450 N -0.95 0.62 -0.27 2.23 2.04 -0.20 -1.10 117.51 119.88 2zit h ILE 450 Ca -0.09 -0.01 -0.19 0.00 1.00 0.00 0.00 64.86 65.57 2zit h ILE 450 Cb 0.68 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2zit h ILE 450 CO 0.14 0.01 -0.56 0.58 0.00 0.00 0.00 178.15 178.32 2zit h VAL 451 N 0.04 1.28 -1.51 1.67 2.07 -0.89 0.12 116.25 119.03 2zit h VAL 451 Ca 0.20 -1.75 -0.65 0.00 0.82 0.00 0.00 66.70 65.33 2zit h VAL 451 Cb 0.31 1.69 -0.36 0.00 -1.52 0.00 0.00 31.29 31.40 2zit h VAL 451 CO -0.40 0.57 -0.00 0.49 0.02 0.00 0.00 177.57 178.25 2zit n PHE 452 N -4.02 3.17 0.00 1.57 3.01 -0.23 -4.47 117.46 116.48 2zit n PHE 452 Ca -0.05 -2.73 0.00 0.00 1.01 0.00 0.00 57.45 55.68 2zit n PHE 452 Cb 0.63 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 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 -0.58 0.00 0.00 1.37 0.00 -0.43 -4.85 105.19 100.70 2zit n GLY 453 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.66 3.73 -0.02 0.00 0.41 -4.92 105.19 103.74 2zit n GLY 454 Ca 0.00 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 2zit n GLY 454 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2zit n VAL 455 N -0.11 0.71 -4.12 1.61 0.31 -1.25 -4.52 118.33 110.97 2zit n VAL 455 Ca 0.00 -0.18 -0.15 0.00 -0.01 0.00 0.00 64.34 64.00 2zit n VAL 455 Cb 0.00 -1.90 -0.12 0.00 -0.91 0.00 0.00 33.84 30.91 2zit n VAL 455 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2zit s ARG 456 N -0.01 0.61 0.02 5.55 0.52 -1.26 -4.40 118.95 119.98 2zit s ARG 456 Ca 0.68 -0.74 -0.34 0.00 -0.52 0.00 0.00 55.73 54.81 2zit s ARG 456 Cb -0.52 -0.46 -0.13 0.00 0.52 0.00 0.00 34.95 34.36 2zit s ARG 456 CO 0.44 0.10 1.72 0.00 0.02 0.00 0.00 175.30 177.57 2zit n ALA 457 N 1.62 0.97 -2.60 2.13 0.00 -1.26 -4.98 120.51 116.39 2zit n ALA 457 Ca -0.21 0.37 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 2zit n ALA 457 Cb 0.55 -2.40 -0.08 0.00 0.00 0.00 0.00 19.45 17.51 2zit n ALA 457 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2zit s ARG 458 N 2.47 2.15 0.10 0.00 3.00 -1.26 -5.12 118.95 120.29 2zit s ARG 458 Ca 0.86 -1.41 -0.23 0.00 0.00 0.00 0.00 55.73 54.96 2zit s ARG 458 Cb -0.71 -2.12 -0.07 0.00 0.00 0.00 0.00 34.95 32.05 2zit s ARG 458 CO 0.46 0.38 0.68 0.45 0.00 0.00 0.00 175.30 177.28 2zit s SER 459 N -3.38 7.20 0.00 0.23 0.15 -1.26 -4.94 113.70 111.71 2zit s SER 459 Ca 0.29 1.43 -0.02 0.00 0.70 0.00 0.00 55.95 58.35 2zit s SER 459 Cb -0.07 -2.43 -0.01 0.00 -1.71 0.00 0.00 66.02 61.80 2zit s SER 459 CO 0.18 0.19 0.03 -1.10 1.20 0.00 0.00 173.24 173.74 2zit s GLN 460 N -0.84 0.24 -1.04 5.44 -0.21 -1.26 -5.09 119.66 116.90 2zit s GLN 460 Ca 0.33 -0.30 -0.18 0.00 0.02 0.00 0.00 55.36 55.23 2zit s GLN 460 Cb -0.21 0.09 0.12 0.00 1.00 0.00 0.00 33.01 34.01 2zit s GLN 460 CO 0.22 -0.04 1.31 0.16 -2.12 0.00 0.00 175.29 174.82 2zit s ASP 461 N -0.84 6.72 -0.01 5.90 -4.77 -1.26 -4.89 116.67 117.52 2zit s ASP 461 Ca -0.09 -2.17 -0.29 0.00 -3.30 0.00 0.00 52.55 46.70 2zit s ASP 461 Cb -0.06 -2.45 0.10 0.00 -1.09 0.00 0.00 42.92 39.43 2zit s ASP 461 CO -0.00 -1.09 0.95 -1.48 0.70 0.00 0.00 175.17 174.25 2zit s LEU 462 N 3.02 -0.30 -0.19 2.11 0.05 -1.26 -5.11 118.68 117.00 2zit s LEU 462 Ca 0.39 -0.06 -0.37 0.00 0.05 0.00 0.00 54.13 54.13 2zit s LEU 462 Cb -0.03 1.94 -0.14 0.00 -2.05 0.00 0.00 46.19 45.92 2zit s LEU 462 CO -0.06 -0.60 1.82 -0.67 -0.55 0.00 0.00 176.35 176.28 2zit n ASP 463 N -0.27 2.90 0.07 1.48 -0.08 -1.26 -4.76 116.55 114.63 2zit n ASP 463 Ca -0.07 1.03 0.20 0.00 -1.51 0.00 0.00 54.79 54.43 2zit n ASP 463 Cb 0.61 -1.25 0.61 0.00 2.34 0.00 0.00 41.12 43.44 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 8.20 2.21 0.00 -1.67 0.00 -1.99 0.53 119.26 126.54 2zit h ALA 464 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2zit h ALA 464 Cb 1.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2zit h ALA 464 CO 0.96 -0.93 0.00 -0.84 0.00 0.00 0.00 179.25 178.43 2zit h ILE 465 N 0.00 0.00 -0.52 0.00 3.07 -1.92 -2.68 117.51 115.46 2zit h ILE 465 Ca 0.23 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 66.13 2zit h ILE 465 Cb 1.60 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 39.63 2zit h ILE 465 CO -0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 2zit n TRP 466 N -2.97 1.44 -2.14 0.16 7.02 0.19 -3.87 117.44 117.27 2zit n TRP 466 Ca 0.01 -0.69 -0.37 0.00 -1.02 0.00 0.00 57.50 55.44 2zit n TRP 466 Cb 0.31 -0.31 0.01 0.00 -2.42 0.00 0.00 31.31 28.90 2zit n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 2zit s ARG 467 N -2.21 3.49 0.00 -0.99 1.70 -1.01 -4.95 118.95 114.98 2zit s ARG 467 Ca 0.48 1.84 0.00 0.00 -0.47 0.00 0.00 55.73 57.58 2zit s ARG 467 Cb 0.34 -2.26 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 2zit s ARG 467 CO 0.18 -0.79 0.00 0.41 -1.08 0.00 0.00 175.30 174.02 2zit n GLY 468 N 0.46 0.24 3.71 3.88 0.00 -1.26 -4.51 105.19 107.71 2zit n GLY 468 Ca 0.09 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.64 3.55 -0.23 1.61 5.36 -0.23 -4.87 117.98 121.53 2zit s PHE 469 Ca 0.00 1.22 -0.09 0.00 -0.96 0.00 0.00 56.93 57.10 2zit s PHE 469 Cb 0.00 -2.81 -0.04 0.00 -0.34 0.00 0.00 43.02 39.83 2zit s PHE 469 CO 0.00 0.06 0.12 0.71 -1.46 0.00 0.00 175.22 174.64 2zit s TYR 470 N 0.94 3.23 0.29 10.12 1.51 -1.26 -0.77 117.35 131.41 2zit s TYR 470 Ca 0.37 0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.47 2zit s TYR 470 Cb -0.17 -2.23 -0.05 0.00 -0.11 0.00 0.00 41.96 39.40 2zit s TYR 470 CO 0.17 -0.04 0.10 0.96 -1.11 0.00 0.00 175.55 175.63 2zit s ILE 471 N 1.11 0.68 -0.05 2.71 -4.36 0.01 -4.79 121.20 116.52 2zit s ILE 471 Ca 0.06 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.42 2zit s ILE 471 Cb -0.14 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 40.96 2zit s ILE 471 CO 0.04 0.00 0.11 0.00 0.24 0.00 0.00 174.94 175.33 2zit s ALA 472 N -3.57 -0.21 0.17 2.27 0.00 0.50 0.37 121.76 121.29 2zit s ALA 472 Ca 0.36 0.47 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 2zit s ALA 472 Cb 0.07 -0.31 0.07 0.00 0.00 0.00 0.00 23.12 22.95 2zit s ALA 472 CO 0.15 -0.11 1.83 0.78 0.00 0.00 0.00 175.76 178.41 2zit h GLY 473 N 6.75 0.71 -6.21 0.00 0.00 -1.79 0.41 103.07 102.94 2zit h GLY 473 Ca -0.36 -0.25 -0.60 0.00 0.00 0.00 0.00 47.33 46.12 2zit h GLY 473 CO 0.44 0.24 0.54 -0.35 0.00 0.00 0.00 176.54 177.41 2zit s ASP 474 N -5.63 6.71 0.55 0.19 -1.08 -1.26 -4.60 116.67 111.54 2zit s ASP 474 Ca -0.13 0.68 0.22 0.00 -0.52 0.00 0.00 52.55 52.80 2zit s ASP 474 Cb 0.12 -2.45 1.46 0.00 -1.46 0.00 0.00 42.92 40.59 2zit s ASP 474 CO 0.74 -0.75 2.15 1.55 0.52 0.00 0.00 175.17 179.38 2zit h PRO 475 N 8.26 0.00 -0.57 4.34 0.13 -1.96 -2.26 132.00 139.93 2zit h PRO 475 Ca -0.23 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.97 2zit h PRO 475 Cb 1.08 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 2zit h PRO 475 CO 0.95 0.00 0.24 0.00 -0.23 0.00 0.00 178.00 178.96 2zit h ALA 476 N 1.94 0.74 0.51 -0.56 0.00 -1.93 0.38 119.26 120.33 2zit h ALA 476 Ca 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2zit h ALA 476 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2zit h ALA 476 CO -0.00 -0.15 -0.24 1.25 0.00 0.00 0.00 179.25 180.11 2zit h LEU 477 N 0.45 -0.57 -2.16 0.00 5.85 -1.80 -2.63 115.31 114.44 2zit h LEU 477 Ca 0.28 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2zit h LEU 477 Cb 0.29 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2zit h LEU 477 CO -0.25 -0.38 -0.03 0.00 -0.34 0.00 0.00 178.44 177.44 2zit h ALA 478 N -0.23 1.71 -0.91 1.25 0.00 -1.50 -2.61 119.26 116.97 2zit h ALA 478 Ca -0.07 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2zit h ALA 478 Cb 0.54 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2zit h ALA 478 CO 0.11 0.04 0.58 -0.92 0.00 0.00 0.00 179.25 179.06 2zit h TYR 479 N 0.00 1.06 0.00 0.00 5.03 0.14 -1.62 116.97 121.58 2zit h TYR 479 Ca -0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2zit h TYR 479 Cb 0.06 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 38.00 2zit h TYR 479 CO 0.00 0.54 0.00 0.41 -1.32 0.00 0.00 178.16 177.79 2zit n GLY 480 N -1.34 -0.59 0.09 1.82 0.00 -0.98 -1.04 105.19 103.15 2zit n GLY 480 Ca 0.13 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.21 2zit n GLY 480 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2zit n TYR 481 N -1.49 0.00 -1.75 1.61 4.01 -0.62 -4.77 117.16 114.15 2zit n TYR 481 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 2zit n TYR 481 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.00 4.18 -3.61 -0.72 0.00 -0.21 -3.11 120.51 116.03 2zit n ALA 482 Ca 0.03 -3.63 -0.03 0.00 0.00 0.00 0.00 53.44 49.82 2zit n ALA 482 Cb 0.23 -3.57 -0.01 0.00 0.00 0.00 0.00 19.45 16.10 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 4.23 0.55 0.47 0.00 -2.07 -1.24 0.51 119.66 122.11 2zit s GLN 483 Ca 0.53 -0.26 -0.23 0.00 -1.82 0.00 0.00 55.36 53.58 2zit s GLN 483 Cb 0.11 0.22 -0.07 0.00 -1.09 0.00 0.00 33.01 32.17 2zit s GLN 483 CO 0.02 -0.25 1.17 -0.51 -1.32 0.00 0.00 175.29 174.41 2zit s ASP 484 N -2.62 6.11 -0.00 12.60 1.01 -0.22 -3.98 116.67 129.55 2zit s ASP 484 Ca 0.11 2.33 0.18 0.00 0.71 0.00 0.00 52.55 55.87 2zit s ASP 484 Cb 0.01 -2.60 -0.21 0.00 1.01 0.00 0.00 42.92 41.13 2zit s ASP 484 CO -0.04 -0.96 0.69 0.00 0.21 0.00 0.00 175.17 175.07 2zit n GLN 485 N -0.54 1.02 -4.26 8.23 1.13 -1.26 -4.83 117.38 116.86 2zit n GLN 485 Ca 0.08 -0.03 -0.21 0.00 -1.94 0.00 0.00 57.00 54.90 2zit n GLN 485 Cb 0.48 -1.36 -0.16 0.00 0.11 0.00 0.00 30.24 29.31 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 -2.79 0.99 0.81 -1.09 0.41 -1.26 -5.15 118.70 110.63 2zit s GLU 486 Ca 0.04 -0.18 -0.12 0.00 -0.41 0.00 0.00 54.97 54.30 2zit s GLU 486 Cb 0.13 -0.93 0.09 0.00 -1.78 0.00 0.00 34.13 31.64 2zit s GLU 486 CO 0.74 -0.04 1.16 -1.25 -0.49 0.00 0.00 175.26 175.38 2zit s PRO 487 N 0.79 1.70 0.88 0.39 0.04 -1.26 -4.88 135.00 132.65 2zit s PRO 487 Ca -0.12 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 2zit s PRO 487 Cb -0.14 -1.80 0.22 0.00 0.04 0.00 0.00 34.50 32.82 2zit s PRO 487 CO 0.01 -2.13 0.60 -0.25 0.04 0.00 0.00 177.00 175.27 2zit n ASP 488 N -3.45 -2.79 0.02 6.66 8.00 -0.47 -4.76 116.55 119.75 2zit n ASP 488 Ca 0.12 -0.68 0.06 0.00 0.71 0.00 0.00 54.79 55.00 2zit n ASP 488 Cb 0.51 -0.63 0.28 0.00 -0.02 0.00 0.00 41.12 41.26 2zit n ASP 488 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2zit n ALA 489 N -4.58 1.54 -1.55 2.24 0.00 -1.26 -2.17 120.51 114.72 2zit n ALA 489 Ca -0.13 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 2zit n ALA 489 Cb 0.38 -1.21 0.14 0.00 0.00 0.00 0.00 19.45 18.75 2zit n ALA 489 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2zit n ARG 490 N -1.59 2.41 -4.19 0.00 1.85 -1.26 -4.98 116.66 108.91 2zit n ARG 490 Ca 0.03 -3.42 -0.33 0.00 -1.00 0.00 0.00 57.85 53.12 2zit n ARG 490 Cb 0.14 -2.03 -0.06 0.00 -1.05 0.00 0.00 32.46 29.46 2zit n ARG 490 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2zit n GLY 491 N -1.00 -0.29 3.03 2.89 0.00 -0.92 -4.96 105.19 103.93 2zit n GLY 491 Ca 0.43 0.21 -0.15 0.00 0.00 0.00 0.00 46.02 46.51 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 -7.20 0.53 -0.32 1.61 0.52 -1.26 -4.83 118.95 108.00 2zit s ARG 492 Ca 0.10 -0.52 -0.07 0.00 -0.52 0.00 0.00 55.73 54.73 2zit s ARG 492 Cb -0.05 -0.41 0.02 0.00 0.52 0.00 0.00 34.95 35.03 2zit s ARG 492 CO 0.97 0.10 0.09 0.42 0.02 0.00 0.00 175.30 176.90 2zit s ILE 493 N -0.79 3.89 0.35 1.52 -1.09 -1.26 -1.36 121.20 122.45 2zit s ILE 493 Ca -0.04 -0.90 -0.26 0.00 -2.23 0.00 0.00 60.65 57.22 2zit s ILE 493 Cb -0.06 -3.10 -0.09 0.00 -1.58 0.00 0.00 42.46 37.62 2zit s ILE 493 CO 0.00 -0.05 1.02 -0.13 -1.23 0.00 0.00 174.94 174.55 2zit s ARG 494 N 1.46 4.40 0.98 2.79 0.52 -1.26 -4.86 118.95 122.97 2zit s ARG 494 Ca 0.01 1.49 -0.11 0.00 -0.52 0.00 0.00 55.73 56.59 2zit s ARG 494 Cb -0.18 -2.75 0.18 0.00 0.52 0.00 0.00 34.95 32.72 2zit s ARG 494 CO 0.03 0.08 1.09 0.54 0.02 0.00 0.00 175.30 177.06 2zit s ASN 495 N -1.47 2.58 0.00 0.23 4.22 -1.26 -1.06 114.94 118.18 2zit s ASN 495 Ca 0.53 1.75 0.00 0.00 -2.14 0.00 0.00 52.86 53.00 2zit s ASN 495 Cb -0.22 -2.37 0.00 0.00 1.28 0.00 0.00 41.25 39.94 2zit s ASN 495 CO 0.28 -3.24 0.00 0.61 -2.04 0.00 0.00 177.10 172.71 2zit n GLY 496 N -0.10 4.29 3.08 0.45 0.00 0.18 -4.52 105.19 108.58 2zit n GLY 496 Ca 0.08 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.24 0.85 -0.17 4.61 0.00 0.04 -4.57 121.76 120.28 2zit s ALA 497 Ca 0.00 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 2zit s ALA 497 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2zit s ALA 497 CO 0.00 0.12 0.43 -0.51 0.00 0.00 0.00 175.76 175.81 2zit s LEU 498 N -1.10 4.20 0.14 0.00 1.43 -1.26 -2.49 118.68 119.59 2zit s LEU 498 Ca -0.02 0.64 0.08 0.00 -1.03 0.00 0.00 54.13 53.79 2zit s LEU 498 Cb -0.07 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2zit s LEU 498 CO 0.01 -0.05 -0.08 -0.76 0.23 0.00 0.00 176.35 175.69 2zit s LEU 499 N 1.05 3.07 -0.15 1.79 1.43 -0.65 -1.63 118.68 123.58 2zit s LEU 499 Ca 0.22 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 2zit s LEU 499 Cb -0.15 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2zit s LEU 499 CO 0.08 0.14 -0.02 -0.13 0.23 0.00 0.00 176.35 176.66 2zit s ARG 500 N -2.50 3.68 -0.21 1.70 0.52 0.68 -1.08 118.95 121.74 2zit s ARG 500 Ca 0.23 -0.48 -0.07 0.00 -0.52 0.00 0.00 55.73 54.89 2zit s ARG 500 Cb -0.10 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 2zit s ARG 500 CO 0.15 0.28 0.05 0.08 0.02 0.00 0.00 175.30 175.88 2zit s VAL 501 N 0.27 4.39 -0.07 3.52 1.01 0.31 -1.62 120.40 128.21 2zit s VAL 501 Ca -0.02 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2zit s VAL 501 Cb -0.14 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 2zit s VAL 501 CO 0.02 0.41 -0.21 -0.31 0.00 0.00 0.00 175.10 175.02 2zit s TYR 502 N 0.93 2.56 0.10 5.22 1.51 0.03 -1.27 117.35 126.43 2zit s TYR 502 Ca 0.03 -0.61 0.10 0.00 -1.01 0.00 0.00 57.07 55.58 2zit s TYR 502 Cb -0.14 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 2zit s TYR 502 CO 0.02 -0.14 -0.24 0.14 -1.11 0.00 0.00 175.55 174.22 2zit s VAL 503 N -0.17 2.02 0.21 0.71 -7.23 -0.43 0.82 120.40 116.33 2zit s VAL 503 Ca -0.02 -1.58 -0.32 0.00 -1.81 0.00 0.00 61.98 58.25 2zit s VAL 503 Cb -0.14 -1.79 -0.12 0.00 0.56 0.00 0.00 36.38 34.89 2zit s VAL 503 CO 0.04 0.10 1.67 -0.81 -0.31 0.00 0.00 175.10 175.79 2zit n PRO 504 N 1.19 2.63 -0.05 4.82 -0.04 -1.26 -0.48 135.00 141.82 2zit n PRO 504 Ca -0.18 0.95 0.24 0.00 -0.04 0.00 0.00 63.50 64.47 2zit n PRO 504 Cb 0.53 -2.77 0.72 0.00 -0.04 0.00 0.00 33.50 31.95 2zit n PRO 504 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2zit h ARG 505 N 6.23 0.00 0.00 0.54 3.08 -1.28 -0.07 114.38 122.88 2zit h ARG 505 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2zit h ARG 505 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2zit h ARG 505 CO 0.91 0.00 0.11 0.66 -1.07 0.00 0.00 179.97 180.59 2zit h SER 506 N 0.00 0.00 0.22 7.04 4.64 -1.89 0.02 113.55 123.57 2zit h SER 506 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2zit h SER 506 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2zit h SER 506 CO -0.00 0.00 -0.35 -1.54 -0.87 0.00 0.00 176.83 174.07 2zit n SER 507 N -2.80 1.13 0.00 4.97 3.41 -0.04 -4.27 113.62 116.02 2zit n SER 507 Ca -0.02 -0.93 0.07 0.00 -0.26 0.00 0.00 58.87 57.73 2zit n SER 507 Cb 0.17 0.23 0.47 0.00 -0.26 0.00 0.00 64.21 64.82 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 1.23 0.40 -2.51 1.04 3.38 -1.14 -1.13 115.31 116.57 2zit h LEU 508 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2zit h LEU 508 Cb 0.55 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2zit h LEU 508 CO 0.00 0.27 0.08 -0.65 0.09 0.00 0.00 178.44 178.24 2zit h PRO 509 N 0.46 0.00 -0.40 1.13 0.11 -1.78 -0.80 132.00 130.71 2zit h PRO 509 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2zit h PRO 509 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 2zit h PRO 509 CO -0.04 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.16 2zit n GLY 510 N -1.27 0.87 3.59 -0.55 0.00 -0.43 -4.86 105.19 102.55 2zit n GLY 510 Ca -0.02 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.48 3.23 0.25 1.61 0.40 -0.31 -0.32 117.98 121.35 2zit s PHE 511 Ca 0.26 0.22 0.06 0.00 -0.60 0.00 0.00 56.93 56.87 2zit s PHE 511 Cb 0.14 -2.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.15 2zit s PHE 511 CO 0.18 -0.20 -0.07 0.71 0.70 0.00 0.00 175.22 176.54 2zit s TYR 512 N 1.88 1.80 0.08 0.36 1.51 -0.88 -2.53 117.35 119.58 2zit s TYR 512 Ca 0.10 -0.71 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 2zit s TYR 512 Cb -0.16 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.67 2zit s TYR 512 CO 0.11 0.24 -0.08 -0.98 -1.11 0.00 0.00 175.55 173.72 2zit s ARG 513 N -3.73 0.76 0.11 -0.62 1.70 -0.64 -1.36 118.95 115.17 2zit s ARG 513 Ca 0.27 -1.14 -0.12 0.00 -0.47 0.00 0.00 55.73 54.27 2zit s ARG 513 Cb 0.03 -0.33 0.01 0.00 -0.57 0.00 0.00 34.95 34.10 2zit s ARG 513 CO 0.10 0.03 0.29 -0.08 -1.08 0.00 0.00 175.30 174.56 2zit s THR 514 N -2.73 0.11 -0.52 4.99 -1.32 0.01 -4.58 115.64 111.59 2zit s THR 514 Ca 0.05 -0.94 0.23 0.00 -1.21 0.00 0.00 61.69 59.82 2zit s THR 514 Cb -0.01 -1.31 -0.09 0.00 -1.51 0.00 0.00 72.50 69.58 2zit s THR 514 CO -0.02 -0.48 1.03 -1.54 -2.21 0.00 0.00 174.62 171.40 2zit n SER 515 N -0.14 0.62 -4.74 8.08 3.41 -1.26 -4.23 113.62 115.35 2zit n SER 515 Ca -0.15 -0.07 -0.41 0.00 -0.26 0.00 0.00 58.87 57.97 2zit n SER 515 Cb 0.63 0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 65.29 2zit n SER 515 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2zit s LEU 516 N -4.21 4.41 0.31 1.04 1.43 -1.26 -4.59 118.68 115.80 2zit s LEU 516 Ca 0.03 2.40 -0.29 0.00 -1.03 0.00 0.00 54.13 55.23 2zit s LEU 516 Cb 0.13 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.62 2zit s LEU 516 CO 0.80 -0.54 1.34 0.41 0.23 0.00 0.00 176.35 178.58 2zit n THR 517 N 2.74 1.64 -2.42 5.49 -1.04 -1.26 -4.27 114.28 115.16 2zit n THR 517 Ca 0.07 -0.41 -0.24 0.00 -2.04 0.00 0.00 64.05 61.42 2zit n THR 517 Cb 0.43 -1.56 0.09 0.00 -1.82 0.00 0.00 70.33 67.47 2zit n THR 517 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2zit s LEU 518 N -0.65 2.97 -1.86 -4.42 1.43 -0.87 -4.35 118.68 110.93 2zit s LEU 518 Ca 0.60 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 2zit s LEU 518 Cb -0.59 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.09 2zit s LEU 518 CO 0.58 -1.72 0.00 0.00 0.23 0.00 0.00 176.35 175.44 2zit n ALA 519 N -2.85 -0.48 -2.59 4.21 0.00 -1.26 -4.89 120.51 112.65 2zit n ALA 519 Ca 0.11 0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.56 2zit n ALA 519 Cb 0.60 -2.06 -0.14 0.00 0.00 0.00 0.00 19.45 17.84 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 -2.89 1.18 0.53 0.00 0.00 -1.26 -5.00 121.76 114.32 2zit s ALA 520 Ca 0.00 -0.70 0.23 0.00 0.00 0.00 0.00 51.96 51.50 2zit s ALA 520 Cb 0.00 -0.26 1.37 0.00 0.00 0.00 0.00 23.12 24.24 2zit s ALA 520 CO 0.00 0.27 2.03 -1.35 0.00 0.00 0.00 175.76 176.71 2zit h PRO 521 N 5.45 0.00 0.00 0.00 0.11 -1.94 0.30 132.00 135.92 2zit h PRO 521 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2zit h PRO 521 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2zit h PRO 521 CO 0.47 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.65 2zit n GLU 522 N -4.41 0.58 0.00 1.05 4.71 -1.26 -2.82 120.64 118.50 2zit n GLU 522 Ca 0.07 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 2zit n GLU 522 Cb 0.49 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 2zit n GLU 522 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2zit n ALA 523 N -1.12 1.94 0.08 0.62 0.00 0.07 -4.70 120.51 117.40 2zit n ALA 523 Ca 0.15 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.48 2zit n ALA 523 Cb 0.12 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 1.39 -0.13 0.00 0.00 -1.33 -2.64 119.26 116.56 2zit h ALA 524 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2zit h ALA 524 Cb 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2zit h ALA 524 CO 0.00 0.42 -0.17 0.78 0.00 0.00 0.00 179.25 180.28 2zit h GLY 525 N 0.85 0.37 1.32 0.00 0.00 -1.84 -2.60 103.07 101.16 2zit h GLY 525 Ca 0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 2zit h GLY 525 CO 0.03 0.36 -0.02 -2.09 0.00 0.00 0.00 176.54 174.82 2zit h GLU 526 N -0.06 0.83 -0.26 4.80 4.57 -1.84 -1.46 114.58 121.16 2zit h GLU 526 Ca 0.02 -0.24 -0.12 0.00 -1.18 0.00 0.00 59.36 57.84 2zit h GLU 526 Cb 0.72 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2zit h GLU 526 CO 0.04 0.84 -0.34 0.28 -1.18 0.00 0.00 179.01 178.65 2zit h VAL 527 N 0.77 1.29 0.00 0.32 2.07 -1.52 -1.94 116.25 117.24 2zit h VAL 527 Ca 0.14 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 66.13 2zit h VAL 527 Cb 0.49 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2zit h VAL 527 CO 0.02 0.46 -0.36 -0.33 0.02 0.00 0.00 177.57 177.39 2zit h GLU 528 N 0.48 0.00 -0.17 1.57 5.08 -1.13 -1.71 114.58 118.70 2zit h GLU 528 Ca 0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2zit h GLU 528 Cb 0.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2zit h GLU 528 CO 0.07 0.36 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.10 2zit h ARG 529 N 0.00 0.47 0.07 2.33 2.43 -0.84 -2.48 114.38 116.37 2zit h ARG 529 Ca -0.00 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2zit h ARG 529 Cb 0.85 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2zit h ARG 529 CO 0.05 0.87 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.27 2zit h LEU 530 N 0.11 -0.08 -0.11 3.80 3.38 -1.22 -3.17 115.31 118.02 2zit h LEU 530 Ca 0.02 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2zit h LEU 530 Cb 0.82 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2zit h LEU 530 CO 0.06 0.27 0.00 2.30 0.09 0.00 0.00 178.44 181.16 2zit n ILE 531 N -4.97 0.53 -1.05 1.22 -5.35 -0.66 -4.28 119.36 104.80 2zit n ILE 531 Ca -0.08 0.05 -0.02 0.00 -0.27 0.00 0.00 62.75 62.43 2zit n ILE 531 Cb 0.20 -0.76 -0.01 0.00 -1.74 0.00 0.00 39.64 37.34 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 0.81 0.52 3.48 3.28 0.00 -0.96 -5.01 105.19 107.31 2zit n GLY 532 Ca 0.05 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.06 -0.42 0.31 1.61 0.00 -1.03 -5.04 115.29 108.66 2zit s HIS 533 Ca 0.00 0.31 -0.29 0.00 -3.00 0.00 0.00 55.06 52.07 2zit s HIS 533 Cb 0.00 0.54 -0.10 0.00 -4.00 0.00 0.00 32.58 29.01 2zit s HIS 533 CO 0.00 -0.63 1.41 -2.14 -1.00 0.00 0.00 174.74 172.37 2zit s PRO 534 N -3.15 4.26 0.94 -0.38 0.02 -1.26 -4.47 135.00 130.96 2zit s PRO 534 Ca 0.03 2.34 -0.13 0.00 0.02 0.00 0.00 61.00 63.26 2zit s PRO 534 Cb -0.01 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.47 2zit s PRO 534 CO -0.09 -0.37 0.31 1.28 -0.33 0.00 0.00 177.00 177.80 2zit n LEU 535 N 1.31 -0.65 -4.87 -5.54 4.77 -1.26 -4.79 117.00 105.96 2zit n LEU 535 Ca 0.03 0.33 -0.29 0.00 -0.03 0.00 0.00 56.01 56.05 2zit n LEU 535 Cb 0.40 -1.17 0.14 0.00 -2.33 0.00 0.00 43.42 40.47 2zit n LEU 535 CO 0.61 -3.81 0.80 -2.16 -1.33 0.00 0.00 177.39 171.50 2zit s PRO 536 N -3.44 1.12 0.57 3.23 0.04 -1.25 -4.94 135.00 130.33 2zit s PRO 536 Ca 0.56 -0.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.34 2zit s PRO 536 Cb -0.22 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2zit s PRO 536 CO 0.68 -2.14 1.17 -0.51 0.04 0.00 0.00 177.00 176.24 2zit s LEU 537 N -5.86 3.69 0.00 -3.56 1.43 -1.26 -5.02 118.68 108.11 2zit s LEU 537 Ca 0.67 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 56.05 2zit s LEU 537 Cb -0.09 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.54 2zit s LEU 537 CO 0.52 -1.43 0.00 0.54 0.23 0.00 0.00 176.35 176.21 2zit n ARG 538 N -1.49 0.00 -0.86 1.70 5.12 -1.26 -4.19 116.66 115.68 2zit n ARG 538 Ca 0.13 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.93 2zit n ARG 538 Cb 0.50 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.78 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 5.85 -3.91 0.55 4.77 -1.26 -2.80 117.00 120.19 2zit n LEU 539 Ca 0.00 -3.07 -0.09 0.00 -0.03 0.00 0.00 56.01 52.82 2zit n LEU 539 Cb 0.00 -1.18 -0.05 0.00 -2.33 0.00 0.00 43.42 39.87 2zit n LEU 539 CO 0.00 1.31 0.19 1.51 -1.33 0.00 0.00 177.39 179.07 2zit s ASP 540 N 1.19 -0.13 0.07 -1.43 -4.77 -1.26 -4.66 116.67 105.68 2zit s ASP 540 Ca 0.31 -0.77 -0.02 0.00 -3.30 0.00 0.00 52.55 48.76 2zit s ASP 540 Cb 0.19 0.57 -0.04 0.00 -1.09 0.00 0.00 42.92 42.55 2zit s ASP 540 CO -0.03 -1.09 0.02 0.00 0.70 0.00 0.00 175.17 174.77 2zit s ALA 541 N -3.96 0.49 -0.01 2.11 0.00 0.56 -1.87 121.76 119.08 2zit s ALA 541 Ca 0.17 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2zit s ALA 541 Cb -0.00 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.54 2zit s ALA 541 CO 0.04 -0.41 -0.03 -1.50 0.00 0.00 0.00 175.76 173.85 2zit s ILE 542 N -3.94 0.27 -0.10 0.00 1.10 -0.61 -2.08 121.20 115.84 2zit s ILE 542 Ca 0.10 -0.13 0.02 0.00 -0.51 0.00 0.00 60.65 60.14 2zit s ILE 542 Cb 0.07 -0.25 0.01 0.00 0.15 0.00 0.00 42.46 42.45 2zit s ILE 542 CO -0.08 0.09 -0.15 -0.89 -2.11 0.00 0.00 174.94 171.80 2zit s THR 543 N 0.05 1.47 0.17 4.00 2.01 -0.46 -0.15 115.64 122.72 2zit s THR 543 Ca -0.00 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.13 2zit s THR 543 Cb -0.03 -1.34 0.06 0.00 0.01 0.00 0.00 72.50 71.20 2zit s THR 543 CO -0.00 0.43 0.80 -0.83 -0.69 0.00 0.00 174.62 174.33 2zit s GLY 544 N 0.93 -0.30 0.11 4.40 0.00 -0.78 -0.81 107.32 110.86 2zit s GLY 544 Ca -0.08 0.20 -0.35 0.00 0.00 0.00 0.00 44.72 44.49 2zit s GLY 544 CO -0.00 0.06 1.58 -1.05 0.00 0.00 0.00 173.10 173.68 2zit n PRO 545 N -0.41 1.96 0.32 2.90 -0.02 -1.26 -1.27 135.00 137.21 2zit n PRO 545 Ca -0.08 0.71 0.21 0.00 -2.02 0.00 0.00 63.50 62.32 2zit n PRO 545 Cb 0.61 -2.46 1.08 0.00 -0.02 0.00 0.00 33.50 32.71 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 6.12 0.00 -2.70 -0.52 4.81 -1.23 -2.30 114.58 118.76 2zit h GLU 546 Ca -0.46 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.87 2zit h GLU 546 Cb 1.27 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 2zit h GLU 546 CO 0.88 0.00 0.39 -1.83 -0.73 0.00 0.00 179.01 177.72 2zit s GLU 547 N -4.05 1.61 0.01 1.92 -1.05 -1.26 -4.64 118.70 111.23 2zit s GLU 547 Ca -0.03 -0.96 -0.33 0.00 -0.15 0.00 0.00 54.97 53.50 2zit s GLU 547 Cb 0.12 0.50 -0.11 0.00 -0.44 0.00 0.00 34.13 34.20 2zit s GLU 547 CO 0.45 -0.75 1.86 -1.91 0.95 0.00 0.00 175.26 175.87 2zit n GLU 548 N -0.53 2.44 -0.73 -4.83 4.07 -1.26 -1.26 120.64 118.55 2zit n GLU 548 Ca -0.05 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 57.94 2zit n GLU 548 Cb 0.60 -2.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 2zit n GLU 548 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2zit n GLY 549 N 4.29 0.42 3.94 8.31 0.00 -1.26 -4.96 105.19 115.92 2zit n GLY 549 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2zit n GLY 549 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zit s GLY 550 N -2.00 1.75 0.68 -0.02 0.00 -0.39 -5.07 107.32 102.27 2zit s GLY 550 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.41 2zit s GLY 550 CO 0.00 -0.53 1.07 0.50 0.00 0.00 0.00 173.10 174.13 2zit s ARG 551 N -5.67 3.08 0.31 2.90 0.52 -1.26 -4.58 118.95 114.25 2zit s ARG 551 Ca 0.70 0.65 -0.27 0.00 -0.52 0.00 0.00 55.73 56.29 2zit s ARG 551 Cb -0.06 -2.03 -0.10 0.00 0.52 0.00 0.00 34.95 33.29 2zit s ARG 551 CO 0.50 -0.92 0.98 -0.51 0.02 0.00 0.00 175.30 175.37 2zit s LEU 552 N -5.36 4.40 0.11 2.53 1.43 -1.26 -0.83 118.68 119.71 2zit s LEU 552 Ca 0.57 1.94 0.06 0.00 -1.03 0.00 0.00 54.13 55.68 2zit s LEU 552 Cb -0.12 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 2zit s LEU 552 CO 0.53 -0.09 -0.16 -1.83 0.23 0.00 0.00 176.35 175.04 2zit s GLU 553 N -1.85 1.03 -0.07 1.70 -1.05 -0.40 -4.35 118.70 113.71 2zit s GLU 553 Ca 0.49 -1.19 0.04 0.00 -0.15 0.00 0.00 54.97 54.15 2zit s GLU 553 Cb -0.22 -1.03 -0.01 0.00 -0.44 0.00 0.00 34.13 32.43 2zit s GLU 553 CO 0.28 0.21 -0.20 0.99 0.95 0.00 0.00 175.26 177.49 2zit s THR 554 N -1.80 2.50 -0.22 1.83 2.01 0.16 -1.87 115.64 118.25 2zit s THR 554 Ca 0.07 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 2zit s THR 554 Cb -0.07 -1.96 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 2zit s THR 554 CO 0.04 0.57 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.86 2zit s ILE 555 N -0.18 3.30 -0.30 1.82 1.01 0.78 -0.81 121.20 126.84 2zit s ILE 555 Ca -0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.95 2zit s ILE 555 Cb -0.14 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 2zit s ILE 555 CO 0.03 0.40 0.25 -0.76 0.00 0.00 0.00 174.94 174.86 2zit s LEU 556 N 1.46 4.17 0.28 2.97 1.43 0.05 -1.58 118.68 127.47 2zit s LEU 556 Ca 0.05 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 2zit s LEU 556 Cb -0.14 -2.20 -0.14 0.00 0.03 0.00 0.00 46.19 43.73 2zit s LEU 556 CO -0.04 -0.15 1.00 0.61 0.23 0.00 0.00 176.35 178.01 2zit n GLY 557 N 4.99 -0.30 0.26 -3.19 0.00 -0.78 -1.07 105.19 105.10 2zit n GLY 557 Ca -0.12 0.34 0.04 0.00 0.00 0.00 0.00 46.02 46.28 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 2.05 0.14 -0.96 1.61 4.06 -1.73 0.15 115.95 121.27 2zit h TRP 558 Ca -0.39 0.04 0.15 0.00 2.06 0.00 0.00 58.89 60.75 2zit h TRP 558 Cb 1.34 0.05 -0.08 0.00 -1.00 0.00 0.00 29.16 29.47 2zit h TRP 558 CO 0.48 -0.13 0.60 -1.35 -3.56 0.00 0.00 178.44 174.49 2zit h PRO 559 N 0.20 0.76 -0.04 0.49 0.11 -1.86 -0.65 132.00 131.01 2zit h PRO 559 Ca 0.38 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.24 2zit h PRO 559 Cb 0.64 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.59 2zit h PRO 559 CO -0.53 0.50 -0.77 1.25 -0.21 0.00 0.00 178.00 178.25 2zit h LEU 560 N 0.78 0.74 -1.68 2.35 5.85 -0.65 -3.28 115.31 119.43 2zit h LEU 560 Ca 0.50 -0.71 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2zit h LEU 560 Cb 0.73 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2zit h LEU 560 CO -0.26 1.35 0.17 0.00 -0.34 0.00 0.00 178.44 179.36 2zit h ALA 561 N 0.41 1.76 0.00 1.25 0.00 0.09 0.05 119.26 122.81 2zit h ALA 561 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2zit h ALA 561 Cb 1.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2zit h ALA 561 CO 0.15 0.21 0.00 0.39 0.00 0.00 0.00 179.25 180.01 2zit n GLU 562 N -4.47 0.78 -0.08 0.00 1.02 -0.34 -2.19 120.64 115.36 2zit n GLU 562 Ca 0.01 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.22 2zit n GLU 562 Cb 0.08 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.02 1.57 -1.65 3.49 5.12 -0.00 -4.87 116.66 119.29 2zit n ARG 563 Ca 0.19 -1.61 -0.29 0.00 -1.93 0.00 0.00 57.85 54.21 2zit n ARG 563 Cb 0.10 -1.28 0.14 0.00 -1.16 0.00 0.00 32.46 30.25 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 -1.08 1.97 -0.10 0.55 -4.23 -0.93 -4.48 115.64 107.35 2zit s THR 564 Ca 0.20 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.70 2zit s THR 564 Cb 0.12 -2.83 0.03 0.00 1.34 0.00 0.00 72.50 71.17 2zit s THR 564 CO 0.18 0.00 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.56 2zit s VAL 565 N -3.42 0.51 -0.14 2.29 1.01 0.24 -4.86 120.40 116.03 2zit s VAL 565 Ca 0.65 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.52 2zit s VAL 565 Cb -0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 2zit s VAL 565 CO 0.52 0.19 -0.05 -0.69 0.00 0.00 0.00 175.10 175.07 2zit s VAL 566 N 1.91 3.80 0.14 2.92 1.01 -1.26 -0.79 120.40 128.13 2zit s VAL 566 Ca 0.04 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.71 2zit s VAL 566 Cb -0.13 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2zit s VAL 566 CO -0.06 0.51 -0.19 0.27 0.00 0.00 0.00 175.10 175.63 2zit s ILE 567 N 0.23 1.78 0.97 2.22 -4.36 -0.64 -4.60 121.20 116.80 2zit s ILE 567 Ca -0.03 -1.79 -0.12 0.00 -0.26 0.00 0.00 60.65 58.45 2zit s ILE 567 Cb -0.14 -1.74 0.10 0.00 1.25 0.00 0.00 42.46 41.92 2zit s ILE 567 CO 0.03 -0.23 0.66 -2.65 0.24 0.00 0.00 174.94 172.99 2zit n PRO 568 N 0.56 -0.62 -4.17 0.37 -0.02 -1.26 -0.23 135.00 129.63 2zit n PRO 568 Ca -0.15 -0.13 -0.25 0.00 -2.02 0.00 0.00 63.50 60.94 2zit n PRO 568 Cb 0.56 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 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 -2.23 5.10 0.09 2.55 0.15 -0.65 -4.49 113.70 114.22 2zit s SER 569 Ca 0.61 -0.33 0.28 0.00 0.70 0.00 0.00 55.95 57.20 2zit s SER 569 Cb -0.21 -1.19 1.06 0.00 -1.71 0.00 0.00 66.02 63.97 2zit s SER 569 CO 0.64 0.04 1.86 0.00 1.20 0.00 0.00 173.24 176.99 2zit n ALA 570 N -0.53 2.31 -2.51 5.45 0.00 -1.26 -4.74 120.51 119.23 2zit n ALA 570 Ca -0.08 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 2zit n ALA 570 Cb 0.56 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 -3.04 4.28 0.32 0.00 1.01 -1.26 -4.85 121.20 117.66 2zit s ILE 571 Ca 0.13 1.46 -0.15 0.00 0.00 0.00 0.00 60.65 62.09 2zit s ILE 571 Cb 0.16 -4.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 2zit s ILE 571 CO 0.56 -0.49 0.74 -2.16 0.00 0.00 0.00 174.94 173.59 2zit s PRO 572 N 3.96 4.01 0.41 2.79 0.05 -1.26 -4.47 135.00 140.49 2zit s PRO 572 Ca 0.52 0.68 -0.04 0.00 0.05 0.00 0.00 61.00 62.20 2zit s PRO 572 Cb -0.15 -2.44 -0.04 0.00 0.05 0.00 0.00 34.50 31.92 2zit s PRO 572 CO 0.20 0.16 0.69 0.95 0.05 0.00 0.00 177.00 179.06 2zit s THR 573 N -1.97 4.96 -0.33 1.26 -4.23 -1.26 -5.03 115.64 109.04 2zit s THR 573 Ca 0.54 0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.99 2zit s THR 573 Cb -0.10 -3.83 -0.01 0.00 1.34 0.00 0.00 72.50 69.89 2zit s THR 573 CO 0.17 -0.67 0.21 -0.62 -0.54 0.00 0.00 174.62 173.17 2zit s ASP 574 N -3.85 5.88 0.35 3.99 -1.08 -1.26 -4.93 116.67 115.76 2zit s ASP 574 Ca 0.45 -0.48 0.15 0.00 -0.52 0.00 0.00 52.55 52.16 2zit s ASP 574 Cb -0.10 -2.09 0.64 0.00 -1.46 0.00 0.00 42.92 39.91 2zit s ASP 574 CO 0.39 -0.23 1.74 1.55 0.52 0.00 0.00 175.17 179.14 2zit h PRO 575 N 8.44 0.00 -0.71 4.34 0.13 -1.98 -2.89 132.00 139.33 2zit h PRO 575 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2zit h PRO 575 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2zit h PRO 575 CO 0.63 0.43 0.00 0.54 -0.23 0.00 0.00 178.00 179.37 2zit n ARG 576 N -3.74 2.70 -2.76 0.86 1.74 -1.26 -4.43 116.66 109.77 2zit n ARG 576 Ca -0.01 -2.64 -0.09 0.00 -0.77 0.00 0.00 57.85 54.34 2zit n ARG 576 Cb 0.50 -1.57 0.08 0.00 -1.02 0.00 0.00 32.46 30.45 2zit n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2zit n ASN 577 N 1.66 -1.22 -4.74 0.55 2.85 -1.14 -5.12 115.26 108.10 2zit n ASN 577 Ca 0.24 -2.98 -0.41 0.00 -0.11 0.00 0.00 54.58 51.32 2zit n ASN 577 Cb 0.62 0.89 -0.03 0.00 1.24 0.00 0.00 39.78 42.51 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 -0.59 3.12 0.00 3.44 1.01 -1.11 -2.45 120.40 123.83 2zit s VAL 578 Ca 0.25 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.14 2zit s VAL 578 Cb 0.37 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2zit s VAL 578 CO -0.06 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.78 2zit n GLY 579 N 2.47 1.67 3.82 4.51 0.00 -1.26 -5.06 105.19 111.33 2zit n GLY 579 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.38 1.65 0.29 -0.02 0.00 -1.02 -5.04 107.32 100.80 2zit s GLY 580 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 44.72 44.52 2zit s GLY 580 CO 0.00 0.33 0.76 0.99 0.00 0.00 0.00 173.10 175.18 2zit s ASP 581 N -3.86 6.92 -0.07 1.64 1.11 -1.26 -4.89 116.67 116.27 2zit s ASP 581 Ca 0.59 1.40 -0.29 0.00 0.18 0.00 0.00 52.55 54.42 2zit s ASP 581 Cb -0.14 -2.42 -0.06 0.00 1.07 0.00 0.00 42.92 41.37 2zit s ASP 581 CO 0.55 -0.12 1.91 -0.22 1.18 0.00 0.00 175.17 178.46 2zit s LEU 582 N -2.58 4.12 -0.23 1.23 2.96 -1.26 -4.95 118.68 117.97 2zit s LEU 582 Ca 0.50 2.26 -0.29 0.00 -0.22 0.00 0.00 54.13 56.38 2zit s LEU 582 Cb -0.13 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.03 2zit s LEU 582 CO 0.19 -1.26 1.19 -0.62 -1.32 0.00 0.00 176.35 174.53 2zit s ASP 583 N 5.04 6.93 0.52 3.68 2.15 -1.26 -4.91 116.67 128.82 2zit s ASP 583 Ca 0.86 1.44 0.31 0.00 0.43 0.00 0.00 52.55 55.59 2zit s ASP 583 Cb -0.36 -2.54 1.44 0.00 -0.30 0.00 0.00 42.92 41.16 2zit s ASP 583 CO 0.36 -0.81 1.86 1.55 -0.17 0.00 0.00 175.17 177.96 2zit h PRO 584 N 8.21 0.06 0.00 4.34 0.13 -1.99 0.10 132.00 142.85 2zit h PRO 584 Ca -0.24 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2zit h PRO 584 Cb 1.09 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2zit h PRO 584 CO 0.99 0.04 0.00 0.66 -0.23 0.00 0.00 178.00 179.46 2zit h SER 585 N 0.06 0.00 -0.11 1.44 4.64 -2.03 -2.72 113.55 114.83 2zit h SER 585 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2zit h SER 585 Cb 1.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 2zit h SER 585 CO -0.04 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.38 2zit n SER 586 N -2.34 0.82 -4.53 4.97 3.41 0.36 -4.72 113.62 111.59 2zit n SER 586 Ca 0.04 -1.71 -0.41 0.00 -0.26 0.00 0.00 58.87 56.52 2zit n SER 586 Cb 0.33 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.86 5.20 -0.03 -1.33 1.01 -1.03 -4.57 121.20 118.59 2zit s ILE 587 Ca 0.23 -0.11 -0.35 0.00 0.00 0.00 0.00 60.65 60.42 2zit s ILE 587 Cb 0.12 -3.82 -0.13 0.00 0.01 0.00 0.00 42.46 38.63 2zit s ILE 587 CO 0.18 -0.12 1.73 -2.65 0.00 0.00 0.00 174.94 174.08 2zit n PRO 588 N 5.32 1.93 0.02 2.79 -0.02 -1.26 -4.82 135.00 138.96 2zit n PRO 588 Ca -0.10 0.70 0.22 0.00 -2.02 0.00 0.00 63.50 62.31 2zit n PRO 588 Cb 0.49 -2.49 0.73 0.00 -0.02 0.00 0.00 33.50 32.21 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 7.56 0.00 1.63 2.55 3.32 -1.96 0.15 116.42 129.68 2zit h ASP 589 Ca -0.47 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 2zit h ASP 589 Cb 1.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 2zit h ASP 589 CO 0.92 0.00 -0.09 0.11 -1.72 0.00 0.00 179.24 178.46 2zit h LYS 590 N 0.00 0.00 0.14 3.56 1.57 -1.99 -2.69 116.57 117.16 2zit h LYS 590 Ca 0.25 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.71 2zit h LYS 590 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 2zit h LYS 590 CO -0.00 0.09 -1.62 1.49 -0.57 0.00 0.00 179.45 178.84 2zit h GLU 591 N 0.00 0.29 -0.24 3.15 4.81 -1.08 -3.30 114.58 118.20 2zit h GLU 591 Ca -0.00 -0.49 0.07 0.00 -0.13 0.00 0.00 59.36 58.81 2zit h GLU 591 Cb 0.93 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2zit h GLU 591 CO 0.01 1.16 0.19 0.37 -0.73 0.00 0.00 179.01 180.01 2zit h GLN 592 N 0.08 0.00 0.00 1.92 5.75 -1.28 -1.60 115.11 119.98 2zit h GLN 592 Ca -0.28 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.09 2zit h GLN 592 Cb 2.04 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.57 2zit h GLN 592 CO 0.16 0.00 -0.60 0.00 -2.65 0.00 0.00 178.83 175.74 2zit h ALA 593 N 1.85 0.70 -0.67 3.38 0.00 -1.56 -3.14 119.26 119.82 2zit h ALA 593 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2zit h ALA 593 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2zit h ALA 593 CO -0.00 0.76 0.00 0.44 0.00 0.00 0.00 179.25 180.44 2zit n ILE 594 N -3.38 0.96 -1.42 0.00 -5.35 -0.66 -4.52 119.36 105.00 2zit n ILE 594 Ca 0.01 -0.98 -0.09 0.00 -0.27 0.00 0.00 62.75 61.42 2zit n ILE 594 Cb 0.72 0.53 0.20 0.00 -1.74 0.00 0.00 39.64 39.35 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 1.51 2.70 -4.80 7.28 7.64 -0.88 -4.95 113.62 122.13 2zit n SER 595 Ca 0.23 -3.76 -0.35 0.00 1.01 0.00 0.00 58.87 56.00 2zit n SER 595 Cb 0.60 -0.68 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 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 -3.27 3.04 0.01 -0.43 0.00 -1.26 -5.04 121.76 114.81 2zit s ALA 596 Ca 0.47 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.97 2zit s ALA 596 Cb 0.42 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2zit s ALA 596 CO 0.02 -0.03 0.06 -0.51 0.00 0.00 0.00 175.76 175.31 2zit s LEU 597 N -2.93 3.80 0.63 0.00 1.43 -1.26 -4.86 118.68 115.49 2zit s LEU 597 Ca 0.60 0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.61 2zit s LEU 597 Cb -0.15 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 2zit s LEU 597 CO 0.19 0.26 1.24 -2.16 0.23 0.00 0.00 176.35 176.11 2zit s PRO 598 N -1.82 2.72 -0.21 1.29 0.04 -1.26 -4.95 135.00 130.80 2zit s PRO 598 Ca 0.23 1.90 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2zit s PRO 598 Cb -0.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2zit s PRO 598 CO 0.15 -1.42 1.14 0.34 0.04 0.00 0.00 177.00 177.24 2zit s ASP 599 N -1.58 7.02 0.21 6.66 2.15 -1.26 -5.01 116.67 124.85 2zit s ASP 599 Ca 0.79 1.48 -0.15 0.00 0.43 0.00 0.00 52.55 55.10 2zit s ASP 599 Cb -0.33 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 39.68 2zit s ASP 599 CO 0.37 -0.73 0.62 -0.31 -0.17 0.00 0.00 175.17 174.96 2zit s TYR 600 N 3.37 3.54 0.03 -5.34 2.02 -1.26 -5.03 117.35 114.68 2zit s TYR 600 Ca 0.49 1.13 -0.30 0.00 -0.37 0.00 0.00 57.07 58.01 2zit s TYR 600 Cb -0.18 -2.44 -0.06 0.00 -0.40 0.00 0.00 41.96 38.89 2zit s TYR 600 CO 0.10 0.32 1.39 0.00 -1.57 0.00 0.00 175.55 175.79 2zit s ALA 601 N -1.63 3.57 -1.70 3.71 0.00 -1.05 -4.71 121.76 119.95 2zit s ALA 601 Ca 0.43 0.94 0.19 0.00 0.00 0.00 0.00 51.96 53.53 2zit s ALA 601 Cb -0.14 -3.57 0.63 0.00 0.00 0.00 0.00 23.12 20.03 2zit s ALA 601 CO 0.20 -0.81 1.53 -1.13 0.00 0.00 0.00 175.76 175.54 2zit n SER 602 N 4.94 3.94 -3.86 0.00 3.41 -1.26 -1.63 113.62 119.15 2zit n SER 602 Ca 0.12 -2.15 -0.11 0.00 -0.26 0.00 0.00 58.87 56.47 2zit n SER 602 Cb 0.43 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.78 2zit n SER 602 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2zit s GLN 603 N -1.36 0.32 0.58 4.33 2.00 -1.26 -4.91 119.66 119.36 2zit s GLN 603 Ca 0.46 -0.16 -0.20 0.00 -2.00 0.00 0.00 55.36 53.47 2zit s GLN 603 Cb 0.26 0.14 -0.04 0.00 0.80 0.00 0.00 33.01 34.16 2zit s GLN 603 CO 0.28 -0.07 1.15 -2.30 -0.50 0.00 0.00 175.29 173.85 2zit n PRO 604 N 2.15 1.19 0.00 1.67 -0.02 -1.26 -5.03 135.00 133.70 2zit n PRO 604 Ca -0.18 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 61.85 2zit n PRO 604 Cb 0.57 -2.35 0.62 0.00 -0.02 0.00 0.00 33.50 32.32 2zit n PRO 604 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89