#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o2p s ILE 406 N 0.00 5.19 0.05 2.52 1.01 -1.26 -5.07 121.20 123.64 2o2p s ILE 406 Ca 0.00 0.64 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 2o2p s ILE 406 Cb 0.00 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 2o2p s ILE 406 CO 0.00 0.57 1.09 0.20 0.00 0.00 0.00 174.94 176.80 2o2p s ASN 407 N -0.92 7.23 0.18 3.58 0.02 -1.26 -5.05 114.94 118.72 2o2p s ASN 407 Ca 0.21 1.87 0.10 0.00 -1.02 0.00 0.00 52.86 54.02 2o2p s ASN 407 Cb -0.15 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.50 2o2p s ASN 407 CO 0.10 -0.34 -0.21 -0.31 0.02 0.00 0.00 177.10 176.36 2o2p s TYR 408 N 0.86 2.02 -0.30 2.20 2.02 -1.26 -4.38 117.35 118.51 2o2p s TYR 408 Ca 0.55 -0.42 -0.18 0.00 -0.37 0.00 0.00 57.07 56.64 2o2p s TYR 408 Cb -0.26 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.28 2o2p s TYR 408 CO 0.29 0.40 0.53 0.08 -1.57 0.00 0.00 175.55 175.29 2o2p s VAL 409 N -1.86 5.03 0.01 0.71 1.01 0.49 -4.88 120.40 120.91 2o2p s VAL 409 Ca 0.18 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.75 2o2p s VAL 409 Cb -0.07 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2o2p s VAL 409 CO 0.08 -0.06 0.31 -0.70 0.00 0.00 0.00 175.10 174.73 2o2p s GLU 410 N 2.39 3.68 -0.22 2.72 2.12 -1.26 -1.05 118.70 127.08 2o2p s GLU 410 Ca 0.21 0.08 -0.09 0.00 0.36 0.00 0.00 54.97 55.53 2o2p s GLU 410 Cb -0.15 -3.10 0.09 0.00 0.26 0.00 0.00 34.13 31.23 2o2p s GLU 410 CO 0.11 0.65 0.49 0.21 -0.54 0.00 0.00 175.26 176.18 2o2p s LYS 411 N -1.57 0.42 -0.48 4.30 2.47 -0.84 -4.99 119.74 119.05 2o2p s LYS 411 Ca 0.27 1.11 -0.21 0.00 -1.56 0.00 0.00 55.97 55.58 2o2p s LYS 411 Cb -0.14 0.39 0.04 0.00 -1.46 0.00 0.00 37.83 36.66 2o2p s LYS 411 CO 0.14 -0.22 0.67 0.00 0.16 0.00 0.00 175.35 176.11 2o2p s ALA 412 N 2.43 3.34 0.02 3.13 0.00 -1.26 -0.31 121.76 129.12 2o2p s ALA 412 Ca -0.04 -1.40 -0.21 0.00 0.00 0.00 0.00 51.96 50.31 2o2p s ALA 412 Cb -0.11 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.68 2o2p s ALA 412 CO -0.15 -1.94 0.46 0.14 0.00 0.00 0.00 175.76 174.28 2o2p s VAL 413 N 2.89 0.04 -1.42 0.00 -7.23 -0.81 -4.94 120.40 108.93 2o2p s VAL 413 Ca 0.21 -0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 60.03 2o2p s VAL 413 Cb -0.16 -0.91 0.01 0.00 0.56 0.00 0.00 36.38 35.88 2o2p s VAL 413 CO 0.16 -0.18 0.15 -3.20 -0.31 0.00 0.00 175.10 171.72 2o2p n ASN 414 N 0.66 -4.98 -1.37 4.85 5.15 -1.26 -1.35 115.26 116.96 2o2p n ASN 414 Ca -0.19 -0.02 -0.15 0.00 -0.60 0.00 0.00 54.58 53.63 2o2p n ASN 414 Cb 0.59 -4.14 -0.04 0.00 -0.53 0.00 0.00 39.78 35.66 2o2p n ASN 414 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2o2p n LYS 415 N -3.17 -1.08 -4.35 1.20 5.02 -1.26 -5.01 118.16 109.50 2o2p n LYS 415 Ca -0.16 0.87 -0.18 0.00 -2.02 0.00 0.00 58.31 56.82 2o2p n LYS 415 Cb 0.63 -5.08 -0.10 0.00 -0.02 0.00 0.00 35.03 30.46 2o2p n LYS 415 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2o2p s LEU 416 N -3.73 2.41 -0.41 -0.35 1.43 -0.46 -5.11 118.68 112.47 2o2p s LEU 416 Ca 0.00 -1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 51.91 2o2p s LEU 416 Cb 0.00 -0.49 0.10 0.00 0.03 0.00 0.00 46.19 45.83 2o2p s LEU 416 CO 0.00 -0.36 0.22 -0.89 0.23 0.00 0.00 176.35 175.55 2o2p s THR 417 N -3.18 3.65 0.25 5.49 2.01 -1.26 -1.92 115.64 120.68 2o2p s THR 417 Ca 0.26 -1.79 -0.30 0.00 0.31 0.00 0.00 61.69 60.17 2o2p s THR 417 Cb 0.03 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 2o2p s THR 417 CO 0.08 -0.61 1.21 -0.76 -0.69 0.00 0.00 174.62 173.85 2o2p s LEU 418 N 1.26 4.47 -0.28 4.42 1.02 0.58 -4.89 118.68 125.26 2o2p s LEU 418 Ca 0.05 2.37 0.02 0.00 0.02 0.00 0.00 54.13 56.59 2o2p s LEU 418 Cb -0.23 -3.62 0.08 0.00 0.02 0.00 0.00 46.19 42.43 2o2p s LEU 418 CO -0.02 -0.36 -0.01 -1.10 0.02 0.00 0.00 176.35 174.89 2o2p s GLN 419 N -0.94 1.54 -0.31 1.70 -1.52 -1.26 -1.99 119.66 116.86 2o2p s GLN 419 Ca 0.50 -1.35 -0.05 0.00 -1.95 0.00 0.00 55.36 52.51 2o2p s GLN 419 Cb -0.35 -2.74 0.03 0.00 -0.22 0.00 0.00 33.01 29.73 2o2p s GLN 419 CO 0.42 -0.76 0.07 -1.64 -0.25 0.00 0.00 175.29 173.12 2o2p s MET 420 N 1.22 2.72 0.64 2.91 -1.94 -0.21 -4.91 119.30 119.72 2o2p s MET 420 Ca 0.01 -1.10 -0.18 0.00 -1.71 0.00 0.00 55.69 52.72 2o2p s MET 420 Cb -0.19 -3.36 -0.01 0.00 2.01 0.00 0.00 34.83 33.28 2o2p s MET 420 CO -0.10 -0.58 1.25 -2.14 -0.01 0.00 0.00 175.02 173.44 2o2p s PRO 421 N 1.40 2.67 0.00 2.03 0.02 -1.26 -0.38 135.00 139.48 2o2p s PRO 421 Ca -0.01 1.93 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2o2p s PRO 421 Cb -0.19 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2o2p s PRO 421 CO 0.02 -1.47 0.27 2.48 -0.33 0.00 0.00 177.00 177.97 2o2p n TYR 422 N -1.88 0.00 -3.43 6.54 4.11 -1.26 -4.70 117.16 116.53 2o2p n TYR 422 Ca 0.15 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.90 57.81 2o2p n TYR 422 Cb 0.49 -0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.81 2o2p n TYR 422 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 2o2p s GLN 423 N -0.07 2.72 0.67 -3.48 -0.21 -1.26 -1.38 119.66 116.64 2o2p s GLN 423 Ca 0.00 -1.34 -0.17 0.00 0.02 0.00 0.00 55.36 53.86 2o2p s GLN 423 Cb 0.00 -2.56 -0.00 0.00 1.00 0.00 0.00 33.01 31.44 2o2p s GLN 423 CO 0.00 -0.14 1.18 1.28 -2.12 0.00 0.00 175.29 175.49 2o2p n LEU 424 N -1.62 5.13 -4.04 2.90 4.77 -0.55 -4.76 117.00 118.83 2o2p n LEU 424 Ca 0.04 0.77 -0.32 0.00 -0.03 0.00 0.00 56.01 56.48 2o2p n LEU 424 Cb 0.60 -1.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.04 2o2p n LEU 424 CO 0.41 -1.37 -0.43 0.12 -1.33 0.00 0.00 177.39 174.79 2o2p s PHE 425 N -1.55 3.19 -0.07 -1.77 5.36 -0.50 -0.91 117.98 121.73 2o2p s PHE 425 Ca 0.79 -2.34 -0.00 0.00 -0.96 0.00 0.00 56.93 54.42 2o2p s PHE 425 Cb -0.37 -2.04 0.02 0.00 -0.34 0.00 0.00 43.02 40.29 2o2p s PHE 425 CO 0.44 -0.88 -0.03 0.42 -1.46 0.00 0.00 175.22 173.72 2o2p s ILE 426 N 1.12 0.52 -1.44 3.12 1.01 -0.44 -0.40 121.20 124.70 2o2p s ILE 426 Ca -0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 2o2p s ILE 426 Cb -0.20 -0.61 0.04 0.00 0.01 0.00 0.00 42.46 41.71 2o2p s ILE 426 CO -0.06 0.26 1.08 0.61 0.00 0.00 0.00 174.94 176.83 2o2p n GLY 427 N 4.68 -0.53 2.05 6.18 0.00 -1.26 -2.07 105.19 114.24 2o2p n GLY 427 Ca -0.15 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2o2p n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o2p n GLY 428 N -1.87 0.63 3.06 -0.02 0.00 -1.26 -4.44 105.19 101.30 2o2p n GLY 428 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 2o2p n GLY 428 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2o2p s GLU 429 N -0.08 0.57 -0.11 1.61 -1.05 -0.88 -5.03 118.70 113.74 2o2p s GLU 429 Ca 0.00 -0.67 -0.25 0.00 -0.15 0.00 0.00 54.97 53.91 2o2p s GLU 429 Cb 0.00 -0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 33.24 2o2p s GLU 429 CO 0.00 0.09 0.77 -0.06 0.95 0.00 0.00 175.26 177.01 2o2p s PHE 430 N -1.08 3.51 0.02 4.83 0.40 -1.26 -1.32 117.98 123.08 2o2p s PHE 430 Ca -0.06 1.28 -0.00 0.00 -0.60 0.00 0.00 56.93 57.55 2o2p s PHE 430 Cb -0.08 -2.91 -0.02 0.00 0.51 0.00 0.00 43.02 40.52 2o2p s PHE 430 CO 0.01 -0.06 -0.02 0.14 0.70 0.00 0.00 175.22 175.98 2o2p s VAL 431 N 1.40 0.09 0.74 -0.44 -7.23 -0.09 -4.97 120.40 109.90 2o2p s VAL 431 Ca 0.39 -0.75 -0.14 0.00 -1.81 0.00 0.00 61.98 59.67 2o2p s VAL 431 Cb -0.17 -0.22 0.05 0.00 0.56 0.00 0.00 36.38 36.59 2o2p s VAL 431 CO 0.17 -0.41 1.17 -1.81 -0.31 0.00 0.00 175.10 173.91 2o2p s ASP 432 N -1.20 4.23 0.85 4.85 1.01 -1.26 -1.48 116.67 123.67 2o2p s ASP 432 Ca -0.13 2.24 -0.12 0.00 0.71 0.00 0.00 52.55 55.25 2o2p s ASP 432 Cb -0.08 -2.58 0.10 0.00 1.01 0.00 0.00 42.92 41.37 2o2p s ASP 432 CO -0.01 -2.23 1.10 0.00 0.21 0.00 0.00 175.17 174.24 2o2p s ALA 433 N -2.18 1.89 0.17 5.23 0.00 -1.26 -4.86 121.76 120.75 2o2p s ALA 433 Ca 0.71 -0.18 -0.33 0.00 0.00 0.00 0.00 51.96 52.16 2o2p s ALA 433 Cb -0.26 -3.13 -0.15 0.00 0.00 0.00 0.00 23.12 19.58 2o2p s ALA 433 CO 0.47 -2.06 1.37 -1.91 0.00 0.00 0.00 175.76 173.63 2o2p n GLU 434 N -3.66 1.64 -1.06 0.00 2.13 -1.26 -0.83 120.64 117.60 2o2p n GLU 434 Ca 0.07 0.59 -0.02 0.00 0.66 0.00 0.00 57.16 58.46 2o2p n GLU 434 Cb 0.56 -2.23 -0.01 0.00 0.27 0.00 0.00 31.44 30.03 2o2p n GLU 434 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2o2p n GLY 435 N 2.50 0.42 2.64 8.31 0.00 -1.26 -3.24 105.19 114.56 2o2p n GLY 435 Ca 0.15 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2o2p n GLY 435 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2o2p n SER 436 N -0.38 -3.59 -4.77 1.61 7.64 -0.01 -4.93 113.62 109.19 2o2p n SER 436 Ca -0.02 0.11 -0.40 0.00 1.01 0.00 0.00 58.87 59.56 2o2p n SER 436 Cb 0.28 -3.05 -0.01 0.00 -1.01 0.00 0.00 64.21 60.42 2o2p n SER 436 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2o2p s LYS 437 N -5.23 4.11 0.21 1.43 1.02 -1.20 -4.88 119.74 115.21 2o2p s LYS 437 Ca 0.08 2.26 -0.00 0.00 0.02 0.00 0.00 55.97 58.33 2o2p s LYS 437 Cb -0.04 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 2o2p s LYS 437 CO 0.10 -0.41 0.12 0.95 -0.92 0.00 0.00 175.35 175.20 2o2p s THR 438 N -1.19 0.12 0.12 2.17 -4.23 -1.26 -1.05 115.64 110.32 2o2p s THR 438 Ca 0.54 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 2o2p s THR 438 Cb -0.40 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 2o2p s THR 438 CO 0.53 0.00 0.16 -0.72 -0.54 0.00 0.00 174.62 174.06 2o2p s TYR 439 N -4.06 0.47 -0.08 3.99 -0.85 -0.11 -4.77 117.35 111.93 2o2p s TYR 439 Ca 0.39 -0.88 -0.17 0.00 -0.52 0.00 0.00 57.07 55.89 2o2p s TYR 439 Cb 0.07 -0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 2o2p s TYR 439 CO 0.13 -0.58 0.46 -0.80 -1.52 0.00 0.00 175.55 173.23 2o2p s ASN 440 N -2.96 6.73 -0.16 -0.18 0.01 -1.26 -0.19 114.94 116.93 2o2p s ASN 440 Ca 0.15 0.86 -0.11 0.00 -0.71 0.00 0.00 52.86 53.04 2o2p s ASN 440 Cb 0.05 -2.28 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 2o2p s ASN 440 CO -0.04 0.09 0.22 0.28 -1.51 0.00 0.00 177.10 176.15 2o2p s THR 441 N 0.14 5.36 -0.14 1.60 -1.32 -0.80 -4.97 115.64 115.51 2o2p s THR 441 Ca 0.25 0.39 -0.04 0.00 -1.21 0.00 0.00 61.69 61.08 2o2p s THR 441 Cb -0.16 -3.54 -0.03 0.00 -1.51 0.00 0.00 72.50 67.26 2o2p s THR 441 CO 0.11 0.46 -0.00 -0.63 -2.21 0.00 0.00 174.62 172.34 2o2p s ILE 442 N 0.09 4.21 -0.33 5.08 -1.09 -1.26 -0.69 121.20 127.20 2o2p s ILE 442 Ca 0.14 -0.25 -0.29 0.00 -2.23 0.00 0.00 60.65 58.01 2o2p s ILE 442 Cb -0.12 -2.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.93 2o2p s ILE 442 CO 0.02 0.51 1.23 0.21 -1.23 0.00 0.00 174.94 175.69 2o2p s ASN 443 N 0.04 6.72 0.00 3.58 3.84 0.70 -4.86 114.94 124.97 2o2p s ASN 443 Ca 0.02 1.06 0.19 0.00 0.21 0.00 0.00 52.86 54.35 2o2p s ASN 443 Cb -0.13 -2.54 0.91 0.00 -0.55 0.00 0.00 41.25 38.94 2o2p s ASN 443 CO 0.02 -1.07 1.62 -0.81 -2.79 0.00 0.00 177.10 174.07 2o2p n PRO 444 N 7.30 0.15 0.10 0.43 -0.04 -1.26 0.13 135.00 141.82 2o2p n PRO 444 Ca 0.14 0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.69 2o2p n PRO 444 Cb 0.47 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 2o2p n PRO 444 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2o2p h THR 445 N 0.00 1.56 0.00 0.52 2.02 -1.90 0.01 112.91 115.13 2o2p h THR 445 Ca 0.00 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.50 2o2p h THR 445 Cb 0.25 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2o2p h THR 445 CO 0.00 0.76 0.00 -0.90 0.37 0.00 0.00 175.52 175.75 2o2p n ASP 446 N -3.61 0.00 0.00 4.18 3.85 -1.16 -3.37 116.55 116.44 2o2p n ASP 446 Ca -0.01 -0.88 0.00 0.00 -0.71 0.00 0.00 54.79 53.19 2o2p n ASP 446 Cb 0.76 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.53 2o2p n ASP 446 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2o2p n GLY 447 N 0.00 0.76 3.82 6.12 0.00 0.12 -4.21 105.19 111.79 2o2p n GLY 447 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2o2p n GLY 447 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o2p s SER 448 N -2.52 5.86 -0.14 1.61 1.04 -1.22 -4.71 113.70 113.63 2o2p s SER 448 Ca 0.00 1.69 -0.29 0.00 0.48 0.00 0.00 55.95 57.82 2o2p s SER 448 Cb 0.00 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 2o2p s SER 448 CO 0.00 -1.11 1.20 -0.69 0.98 0.00 0.00 173.24 173.62 2o2p s VAL 449 N -2.70 4.35 -0.05 5.02 1.01 -1.26 -0.21 120.40 126.55 2o2p s VAL 449 Ca 0.61 1.65 -0.23 0.00 0.00 0.00 0.00 61.98 64.01 2o2p s VAL 449 Cb -0.14 -4.06 -0.18 0.00 0.00 0.00 0.00 36.38 32.00 2o2p s VAL 449 CO 0.42 -0.10 0.95 0.40 0.00 0.00 0.00 175.10 176.77 2o2p h ILE 450 N 5.33 1.06 -2.20 2.22 2.04 -1.25 -3.47 117.51 121.23 2o2p h ILE 450 Ca -0.28 -1.25 0.22 0.00 1.00 0.00 0.00 64.86 64.55 2o2p h ILE 450 Cb 1.12 1.77 -0.07 0.00 -0.74 0.00 0.00 36.82 38.90 2o2p h ILE 450 CO 0.94 0.27 0.64 0.00 0.00 0.00 0.00 178.15 180.00 2o2p s GLN 452 N -2.57 4.22 -0.00 0.00 1.11 -1.26 -1.90 119.66 119.25 2o2p s GLN 452 Ca 0.18 0.76 0.06 0.00 0.01 0.00 0.00 55.36 56.37 2o2p s GLN 452 Cb -0.00 -3.21 -0.02 0.00 -1.01 0.00 0.00 33.01 28.77 2o2p s GLN 452 CO 0.02 0.62 -0.20 0.08 0.01 0.00 0.00 175.29 175.82 2o2p s VAL 453 N -1.15 1.54 0.36 1.09 1.01 0.74 -4.87 120.40 119.13 2o2p s VAL 453 Ca 0.30 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 2o2p s VAL 453 Cb -0.19 -1.30 -0.12 0.00 0.00 0.00 0.00 36.38 34.77 2o2p s VAL 453 CO 0.20 0.38 1.30 -1.20 0.00 0.00 0.00 175.10 175.78 2o2p n SER 454 N 2.46 2.82 -4.16 3.32 7.64 -0.48 -0.93 113.62 124.29 2o2p n SER 454 Ca -0.15 1.20 -0.39 0.00 1.01 0.00 0.00 58.87 60.54 2o2p n SER 454 Cb 0.53 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.14 2o2p n SER 454 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2o2p s LEU 455 N -1.20 5.52 0.25 -3.43 2.96 -0.21 -4.28 118.68 118.28 2o2p s LEU 455 Ca 0.56 -2.36 -0.31 0.00 -0.22 0.00 0.00 54.13 51.80 2o2p s LEU 455 Cb -0.55 -1.93 -0.13 0.00 0.50 0.00 0.00 46.19 44.09 2o2p s LEU 455 CO 0.62 -0.53 1.52 0.00 -1.32 0.00 0.00 176.35 176.64 2o2p n ALA 456 N 4.23 1.83 -2.36 5.97 0.00 -0.57 -4.73 120.51 124.88 2o2p n ALA 456 Ca 0.01 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 2o2p n ALA 456 Cb 0.40 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 2o2p n ALA 456 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2o2p s GLN 457 N -0.23 2.68 0.28 0.00 -1.52 -1.26 -4.66 119.66 114.94 2o2p s GLN 457 Ca 0.68 -1.37 0.01 0.00 -1.95 0.00 0.00 55.36 52.73 2o2p s GLN 457 Cb -0.58 -2.47 0.57 0.00 -0.22 0.00 0.00 33.01 30.31 2o2p s GLN 457 CO 0.47 -0.04 1.80 0.28 -0.25 0.00 0.00 175.29 177.54 2o2p h VAL 458 N 1.11 0.81 -0.21 1.09 2.07 -1.95 0.29 116.25 119.46 2o2p h VAL 458 Ca -0.43 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2o2p h VAL 458 Cb 1.26 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2o2p h VAL 458 CO 0.57 0.15 -0.05 0.77 0.02 0.00 0.00 177.57 179.02 2o2p h SER 459 N 0.80 0.29 -0.16 0.57 4.64 -1.99 -1.67 113.55 116.02 2o2p h SER 459 Ca 0.49 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.61 2o2p h SER 459 Cb 0.62 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2o2p h SER 459 CO -0.32 0.39 -0.47 0.44 -0.87 0.00 0.00 176.83 176.00 2o2p h ASP 460 N 0.30 0.79 -0.34 4.97 3.32 -1.36 -1.32 116.42 122.77 2o2p h ASP 460 Ca 0.07 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 2o2p h ASP 460 Cb 0.30 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2o2p h ASP 460 CO 0.01 1.13 0.20 0.58 -1.72 0.00 0.00 179.24 179.45 2o2p h VAL 461 N 0.58 1.12 -0.93 -1.35 2.07 -0.76 -0.79 116.25 116.19 2o2p h VAL 461 Ca 0.03 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.29 2o2p h VAL 461 Cb 1.03 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 2o2p h VAL 461 CO 0.10 0.12 0.61 0.44 0.02 0.00 0.00 177.57 178.86 2o2p h ASP 462 N 0.44 1.03 -0.68 0.57 3.45 -1.19 -0.33 116.42 119.72 2o2p h ASP 462 Ca 0.12 -0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.52 2o2p h ASP 462 Cb 0.01 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.51 2o2p h ASP 462 CO -0.02 0.72 0.25 0.11 -1.57 0.00 0.00 179.24 178.73 2o2p h LYS 463 N 1.21 1.03 -0.16 3.56 1.57 -0.89 -0.68 116.57 122.22 2o2p h LYS 463 Ca 0.36 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2o2p h LYS 463 Cb -0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2o2p h LYS 463 CO -0.10 0.88 0.05 0.00 -0.57 0.00 0.00 179.45 179.70 2o2p h ALA 464 N 1.11 0.21 -0.73 3.86 0.00 -0.57 -1.31 119.26 121.83 2o2p h ALA 464 Ca 0.22 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2o2p h ALA 464 Cb 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2o2p h ALA 464 CO -0.01 -0.16 0.48 0.28 0.00 0.00 0.00 179.25 179.84 2o2p h VAL 465 N 0.08 1.19 -0.76 0.00 2.07 -0.98 -0.63 116.25 117.21 2o2p h VAL 465 Ca 0.05 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 2o2p h VAL 465 Cb 0.24 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 2o2p h VAL 465 CO -0.00 0.18 0.45 0.00 0.02 0.00 0.00 177.57 178.22 2o2p h ALA 466 N 1.27 0.97 -0.59 1.67 0.00 -0.97 0.15 119.26 121.75 2o2p h ALA 466 Ca 0.27 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2o2p h ALA 466 Cb -0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 2o2p h ALA 466 CO -0.06 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.82 2o2p h ALA 467 N 1.24 0.78 -0.53 0.00 0.00 -0.91 -1.06 119.26 118.78 2o2p h ALA 467 Ca 0.27 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2o2p h ALA 467 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2o2p h ALA 467 CO -0.05 0.44 -0.15 0.00 0.00 0.00 0.00 179.25 179.49 2o2p h ALA 468 N 1.05 0.74 -0.13 0.00 0.00 -0.59 -0.98 119.26 119.35 2o2p h ALA 468 Ca 0.19 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2o2p h ALA 468 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2o2p h ALA 468 CO -0.01 0.68 0.08 -0.22 0.00 0.00 0.00 179.25 179.78 2o2p h LYS 469 N 0.90 0.18 -0.50 0.00 3.64 -0.55 -1.00 116.57 119.24 2o2p h LYS 469 Ca 0.13 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2o2p h LYS 469 Cb 0.72 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2o2p h LYS 469 CO 0.06 0.17 0.30 1.49 -2.27 0.00 0.00 179.45 179.19 2o2p h GLU 470 N 0.14 0.68 -0.99 1.90 4.57 -1.13 0.22 114.58 119.96 2o2p h GLU 470 Ca 0.05 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2o2p h GLU 470 Cb 0.04 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.43 2o2p h GLU 470 CO -0.01 0.50 0.65 0.00 -1.18 0.00 0.00 179.01 178.97 2o2p h ALA 471 N 1.14 1.35 -0.01 2.92 0.00 -1.00 -0.02 119.26 123.64 2o2p h ALA 471 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2o2p h ALA 471 Cb -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.43 2o2p h ALA 471 CO -0.03 0.56 -0.10 0.35 0.00 0.00 0.00 179.25 180.03 2o2p h PHE 472 N 1.26 0.13 0.08 0.00 3.57 -0.88 -2.58 116.94 118.52 2o2p h PHE 472 Ca 0.39 -0.06 -0.26 0.00 3.53 0.00 0.00 57.97 61.56 2o2p h PHE 472 Cb -0.02 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 38.72 2o2p h PHE 472 CO -0.00 0.78 -1.13 0.93 -2.23 0.00 0.00 178.31 176.66 2o2p h GLU 473 N -0.56 0.44 0.00 1.11 5.08 -0.85 -3.38 114.58 116.42 2o2p h GLU 473 Ca -0.01 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 2o2p h GLU 473 Cb 0.80 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2o2p h GLU 473 CO 0.02 1.23 -0.75 0.09 -1.00 0.00 0.00 179.01 178.60 2o2p n ASN 474 N -3.70 3.74 -4.62 1.42 3.02 -0.10 -5.01 115.26 110.01 2o2p n ASN 474 Ca -0.10 -0.01 -0.29 0.00 -0.03 0.00 0.00 54.58 54.15 2o2p n ASN 474 Cb 0.94 0.77 0.13 0.00 -0.61 0.00 0.00 39.78 41.02 2o2p n ASN 474 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2o2p s GLY 475 N -1.52 1.63 0.41 7.41 0.00 -0.72 -4.97 107.32 109.56 2o2p s GLY 475 Ca 0.00 -0.76 0.11 0.00 0.00 0.00 0.00 44.72 44.08 2o2p s GLY 475 CO 0.00 -0.16 1.97 -2.00 0.00 0.00 0.00 173.10 172.91 2o2p h LEU 476 N -1.42 0.46 -1.27 0.66 5.85 -1.93 -2.87 115.31 114.80 2o2p h LEU 476 Ca -0.47 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.35 2o2p h LEU 476 Cb 1.31 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 2o2p h LEU 476 CO 0.56 0.28 0.55 -0.25 -0.34 0.00 0.00 178.44 179.24 2o2p h TRP 477 N 0.51 0.88 -0.00 1.25 2.91 -1.93 -0.84 115.95 118.73 2o2p h TRP 477 Ca 0.29 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.33 2o2p h TRP 477 Cb 0.47 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 2o2p h TRP 477 CO -0.00 0.42 -0.03 0.41 -1.03 0.00 0.00 178.44 178.22 2o2p n GLY 478 N -1.42 -1.23 0.04 2.65 0.00 -1.08 -4.07 105.19 100.08 2o2p n GLY 478 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 2o2p n GLY 478 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2o2p n LYS 479 N -1.24 2.33 -1.31 1.61 5.02 -0.39 -5.04 118.16 119.14 2o2p n LYS 479 Ca 0.14 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 56.11 2o2p n LYS 479 Cb 0.25 -1.25 0.09 0.00 -0.02 0.00 0.00 35.03 34.10 2o2p n LYS 479 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2o2p s ILE 480 N -2.26 3.44 0.62 -0.18 -4.36 -0.78 -5.00 121.20 112.68 2o2p s ILE 480 Ca -0.05 0.47 -0.18 0.00 -0.26 0.00 0.00 60.65 60.63 2o2p s ILE 480 Cb 0.03 -3.00 -0.02 0.00 1.25 0.00 0.00 42.46 40.72 2o2p s ILE 480 CO 0.39 -0.61 1.23 0.20 0.24 0.00 0.00 174.94 176.39 2o2p s ASN 481 N -3.47 4.92 0.24 4.36 0.01 -1.26 -4.82 114.94 114.92 2o2p s ASN 481 Ca 0.61 2.44 -0.04 0.00 -0.71 0.00 0.00 52.86 55.16 2o2p s ASN 481 Cb -0.17 -2.60 0.44 0.00 0.41 0.00 0.00 41.25 39.33 2o2p s ASN 481 CO 0.56 -1.78 1.75 0.00 -1.51 0.00 0.00 177.10 176.12 2o2p h ALA 482 N 0.65 1.10 -0.83 0.60 0.00 -1.94 -0.83 119.26 118.01 2o2p h ALA 482 Ca -0.50 0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.54 2o2p h ALA 482 Cb 1.31 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 2o2p h ALA 482 CO 0.54 -0.13 0.54 -0.09 0.00 0.00 0.00 179.25 180.12 2o2p h ARG 483 N 0.54 0.95 0.05 0.00 2.43 -1.91 -0.91 114.38 115.53 2o2p h ARG 483 Ca 0.41 -0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 59.29 2o2p h ARG 483 Cb 0.55 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2o2p h ARG 483 CO -0.35 0.63 -1.04 -0.44 -1.51 0.00 0.00 179.97 177.25 2o2p h ASP 484 N 0.98 0.36 -0.51 -3.80 3.32 -1.66 -1.31 116.42 113.80 2o2p h ASP 484 Ca 0.34 -0.33 0.07 0.00 0.02 0.00 0.00 57.03 57.13 2o2p h ASP 484 Cb 0.11 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2o2p h ASP 484 CO -0.11 1.19 0.18 -0.09 -1.72 0.00 0.00 179.24 178.69 2o2p h ARG 485 N 0.11 0.35 -0.47 3.56 2.43 -0.75 -1.99 114.38 117.62 2o2p h ARG 485 Ca -0.08 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2o2p h ARG 485 Cb 1.73 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 31.16 2o2p h ARG 485 CO 0.17 0.23 0.26 0.78 -1.51 0.00 0.00 179.97 179.90 2o2p h GLY 486 N 0.36 0.66 0.49 2.80 0.00 -0.95 -1.80 103.07 104.64 2o2p h GLY 486 Ca 0.24 -0.19 0.10 0.00 0.00 0.00 0.00 47.33 47.48 2o2p h GLY 486 CO -0.25 0.15 0.46 3.21 0.00 0.00 0.00 176.54 180.11 2o2p h ARG 487 N 0.52 0.74 -0.52 4.80 2.47 -0.95 0.62 114.38 122.05 2o2p h ARG 487 Ca 0.20 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.77 2o2p h ARG 487 Cb 0.06 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.19 2o2p h ARG 487 CO -0.11 0.49 -0.09 -0.07 0.56 0.00 0.00 179.97 180.74 2o2p h LEU 488 N 0.76 0.95 -0.60 3.04 3.38 -0.91 -0.74 115.31 121.20 2o2p h LEU 488 Ca 0.40 -0.30 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2o2p h LEU 488 Cb 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2o2p h LEU 488 CO -0.26 1.06 -0.33 -0.07 0.09 0.00 0.00 178.44 178.93 2o2p h LEU 489 N 0.86 0.78 -0.39 1.67 3.38 -0.68 0.50 115.31 121.44 2o2p h LEU 489 Ca 0.14 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2o2p h LEU 489 Cb 0.63 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2o2p h LEU 489 CO 0.04 1.05 0.25 1.88 0.09 0.00 0.00 178.44 181.76 2o2p h TYR 490 N 0.63 0.49 -0.69 1.13 0.99 -0.72 -1.50 116.97 117.30 2o2p h TYR 490 Ca 0.07 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.82 2o2p h TYR 490 Cb 0.87 -0.17 -0.04 0.00 1.00 0.00 0.00 36.73 38.39 2o2p h TYR 490 CO 0.04 0.32 0.45 -0.09 -0.00 0.00 0.00 178.16 178.88 2o2p h ARG 491 N 0.52 0.88 -0.50 4.88 2.43 -0.84 -0.85 114.38 120.90 2o2p h ARG 491 Ca 0.14 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 2o2p h ARG 491 Cb -0.05 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.25 2o2p h ARG 491 CO -0.03 0.58 0.18 1.25 -1.51 0.00 0.00 179.97 180.44 2o2p h LEU 492 N 0.90 0.19 -0.89 3.80 5.85 -0.59 -0.03 115.31 124.54 2o2p h LEU 492 Ca 0.26 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.06 2o2p h LEU 492 Cb -0.06 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 2o2p h LEU 492 CO -0.07 0.14 0.58 0.00 -0.34 0.00 0.00 178.44 178.74 2o2p h ALA 493 N 1.33 1.15 -0.62 1.25 0.00 -0.46 -0.11 119.26 121.79 2o2p h ALA 493 Ca 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2o2p h ALA 493 Cb 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2o2p h ALA 493 CO -0.24 0.48 0.38 -0.44 0.00 0.00 0.00 179.25 179.42 2o2p h ASP 494 N 1.16 0.75 -0.56 0.00 3.45 -0.48 -0.42 116.42 120.32 2o2p h ASP 494 Ca 0.34 -0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.67 2o2p h ASP 494 Cb -0.07 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.49 2o2p h ASP 494 CO -0.09 0.58 0.08 0.58 -1.57 0.00 0.00 179.24 178.82 2o2p h VAL 495 N 0.84 1.26 -0.65 -1.35 2.07 -0.53 -0.58 116.25 117.31 2o2p h VAL 495 Ca 0.22 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.77 2o2p h VAL 495 Cb -0.03 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2o2p h VAL 495 CO -0.04 0.36 0.41 0.24 0.02 0.00 0.00 177.57 178.56 2o2p h MET 496 N 0.82 0.80 -0.70 1.57 2.86 -0.72 -2.01 114.93 117.54 2o2p h MET 496 Ca 0.17 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2o2p h MET 496 Cb 0.43 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 2o2p h MET 496 CO 0.01 0.53 0.31 1.49 1.06 0.00 0.00 176.91 180.31 2o2p h GLU 497 N 0.82 1.02 -0.09 1.72 4.81 -0.73 -1.35 114.58 120.78 2o2p h GLU 497 Ca 0.25 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2o2p h GLU 497 Cb -0.02 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2o2p h GLU 497 CO -0.08 0.82 0.07 1.96 -0.73 0.00 0.00 179.01 181.05 2o2p h GLN 498 N 0.98 0.00 -0.42 1.92 4.20 -0.73 -2.41 115.11 118.66 2o2p h GLN 498 Ca 0.24 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 2o2p h GLN 498 Cb 0.16 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 2o2p h GLN 498 CO -0.03 0.00 0.03 0.72 -0.67 0.00 0.00 178.83 178.89 2o2p n HIS 499 N -4.47 1.48 -0.22 2.96 8.25 -0.68 -4.78 115.22 117.77 2o2p n HIS 499 Ca -0.01 -0.93 -0.09 0.00 -0.26 0.00 0.00 57.72 56.43 2o2p n HIS 499 Cb 0.18 -0.44 0.03 0.00 1.12 0.00 0.00 29.99 30.89 2o2p n HIS 499 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 2o2p h GLN 500 N 2.47 1.08 -0.44 -0.41 3.07 -0.75 0.07 115.11 120.20 2o2p h GLN 500 Ca 0.05 -0.33 -0.07 0.00 0.09 0.00 0.00 58.65 58.39 2o2p h GLN 500 Cb 1.74 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 29.18 2o2p h GLN 500 CO 0.38 1.04 0.02 0.93 0.09 0.00 0.00 178.83 181.30 2o2p h GLU 501 N 0.99 0.77 -0.15 0.06 3.07 -1.86 -0.21 114.58 117.25 2o2p h GLU 501 Ca 0.18 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2o2p h GLU 501 Cb 0.54 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2o2p h GLU 501 CO 0.03 0.82 0.09 1.49 -1.40 0.00 0.00 179.01 180.04 2o2p h GLU 502 N 0.62 0.21 -0.56 2.33 4.81 -1.86 -0.68 114.58 119.44 2o2p h GLU 502 Ca 0.13 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2o2p h GLU 502 Cb 0.46 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2o2p h GLU 502 CO 0.02 0.18 0.36 -0.07 -0.73 0.00 0.00 179.01 178.77 2o2p h LEU 503 N 0.17 0.62 -1.07 1.64 3.38 -0.84 -0.39 115.31 118.83 2o2p h LEU 503 Ca 0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2o2p h LEU 503 Cb 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2o2p h LEU 503 CO -0.01 0.44 0.08 0.00 0.09 0.00 0.00 178.44 179.04 2o2p h ALA 504 N 1.22 1.24 -0.35 1.53 0.00 -0.91 -0.69 119.26 121.30 2o2p h ALA 504 Ca 0.21 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2o2p h ALA 504 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2o2p h ALA 504 CO -0.06 0.52 -0.10 1.15 0.00 0.00 0.00 179.25 180.76 2o2p h THR 505 N 0.71 1.28 -0.78 0.00 2.02 -0.69 -1.15 112.91 114.31 2o2p h THR 505 Ca 0.15 -1.17 0.01 0.00 0.77 0.00 0.00 66.41 66.18 2o2p h THR 505 Cb 0.33 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 2o2p h THR 505 CO 0.00 0.38 0.51 0.40 0.37 0.00 0.00 175.52 177.19 2o2p h ILE 506 N 0.47 1.19 -0.39 3.11 2.04 -0.77 -0.87 117.51 122.29 2o2p h ILE 506 Ca 0.09 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 2o2p h ILE 506 Cb 0.61 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2o2p h ILE 506 CO 0.04 0.19 -0.09 -0.08 0.00 0.00 0.00 178.15 178.21 2o2p h GLU 507 N 1.05 0.68 -0.47 2.37 4.57 -1.00 0.51 114.58 122.29 2o2p h GLU 507 Ca 0.29 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2o2p h GLU 507 Cb -0.10 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 2o2p h GLU 507 CO -0.07 0.76 0.24 0.00 -1.18 0.00 0.00 179.01 178.76 2o2p h ALA 508 N 1.28 0.60 -0.40 2.92 0.00 -0.69 0.29 119.26 123.26 2o2p h ALA 508 Ca 0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2o2p h ALA 508 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2o2p h ALA 508 CO 0.03 0.14 0.01 -0.07 0.00 0.00 0.00 179.25 179.36 2o2p h LEU 509 N 0.61 0.68 0.09 0.00 3.38 -0.78 -1.82 115.31 117.48 2o2p h LEU 509 Ca 0.16 -0.30 -0.31 0.00 0.09 0.00 0.00 57.88 57.52 2o2p h LEU 509 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2o2p h LEU 509 CO -0.02 0.82 -1.60 -0.78 0.09 0.00 0.00 178.44 176.94 2o2p h ASP 510 N 0.53 0.30 -0.00 -0.43 3.58 -0.84 -3.37 116.42 116.19 2o2p h ASP 510 Ca 0.11 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2o2p h ASP 510 Cb 0.46 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2o2p h ASP 510 CO 0.02 1.40 -0.15 0.00 -2.88 0.00 0.00 179.24 177.63 2o2p n ALA 511 N -2.68 2.50 -1.03 -0.78 0.00 0.08 -4.75 120.51 113.86 2o2p n ALA 511 Ca -0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.08 2o2p n ALA 511 Cb 1.04 -0.14 -0.00 0.00 0.00 0.00 0.00 19.45 20.34 2o2p n ALA 511 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o2p n GLY 512 N 0.96 0.49 3.70 0.00 0.00 -0.68 -4.31 105.19 105.35 2o2p n GLY 512 Ca 0.01 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2o2p n GLY 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o2p s ALA 513 N -1.98 3.61 0.15 4.61 0.00 -1.21 -4.10 121.76 122.84 2o2p s ALA 513 Ca 0.00 1.07 -0.34 0.00 0.00 0.00 0.00 51.96 52.69 2o2p s ALA 513 Cb 0.00 -3.58 -0.13 0.00 0.00 0.00 0.00 23.12 19.40 2o2p s ALA 513 CO 0.00 -0.79 1.62 0.28 0.00 0.00 0.00 175.76 176.87 2o2p n VAL 514 N 4.30 0.05 -0.15 0.00 0.31 -1.26 -3.93 118.33 117.65 2o2p n VAL 514 Ca 0.13 -0.01 -0.03 0.00 -0.01 0.00 0.00 64.34 64.42 2o2p n VAL 514 Cb 0.42 -1.64 0.06 0.00 -0.91 0.00 0.00 33.84 31.77 2o2p n VAL 514 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2o2p h TYR 515 N 6.31 0.31 -0.95 3.52 3.20 -1.15 0.24 116.97 128.46 2o2p h TYR 515 Ca -0.45 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.48 2o2p h TYR 515 Cb 1.25 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.40 2o2p h TYR 515 CO 0.65 0.11 0.62 1.79 -1.64 0.00 0.00 178.16 179.68 2o2p h THR 516 N 0.35 1.17 -0.36 1.81 1.35 -1.90 0.90 112.91 116.24 2o2p h THR 516 Ca 0.23 -0.41 -0.15 0.00 -0.55 0.00 0.00 66.41 65.53 2o2p h THR 516 Cb 0.24 -0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.51 2o2p h THR 516 CO -0.23 0.22 -0.34 0.25 -0.25 0.00 0.00 175.52 175.17 2o2p h LEU 517 N 1.21 0.93 -0.86 3.87 7.12 -1.64 -2.82 115.31 123.11 2o2p h LEU 517 Ca 0.37 -0.46 -0.02 0.00 0.13 0.00 0.00 57.88 57.90 2o2p h LEU 517 Cb -0.02 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 39.81 2o2p h LEU 517 CO -0.12 1.20 0.45 0.00 -0.13 0.00 0.00 178.44 179.85 2o2p h ALA 518 N 0.76 1.11 0.09 1.25 0.00 0.16 0.37 119.26 122.99 2o2p h ALA 518 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2o2p h ALA 518 Cb 0.93 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2o2p h ALA 518 CO 0.09 0.63 -0.06 -0.07 0.00 0.00 0.00 179.25 179.84 2o2p h LEU 519 N 1.21 -0.16 0.06 0.00 3.38 -0.84 0.35 115.31 119.31 2o2p h LEU 519 Ca 0.30 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 58.04 2o2p h LEU 519 Cb 0.06 0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.88 2o2p h LEU 519 CO -0.05 -0.10 -1.01 0.50 0.09 0.00 0.00 178.44 177.87 2o2p h LYS 520 N -0.16 0.58 0.00 1.13 3.64 -1.21 -0.66 116.57 119.89 2o2p h LYS 520 Ca -0.00 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 2o2p h LYS 520 Cb 0.14 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2o2p h LYS 520 CO -0.00 1.29 -0.10 2.41 -2.27 0.00 0.00 179.45 180.78 2o2p n THR 521 N -3.93 0.18 -0.18 1.00 -1.04 0.13 -3.39 114.28 107.05 2o2p n THR 521 Ca -0.12 0.37 -0.01 0.00 -2.04 0.00 0.00 64.05 62.24 2o2p n THR 521 Cb 0.87 -1.49 0.09 0.00 -1.82 0.00 0.00 70.33 67.98 2o2p n THR 521 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 2o2p h HIS 522 N -0.10 0.22 0.00 -1.42 3.86 -1.50 -0.02 115.15 116.18 2o2p h HIS 522 Ca 0.00 0.03 -0.26 0.00 -1.16 0.00 0.00 60.37 58.98 2o2p h HIS 522 Cb 0.10 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 2o2p h HIS 522 CO -0.04 0.01 -1.44 0.28 0.86 0.00 0.00 177.93 177.59 2o2p n VAL 523 N -5.09 1.54 -0.13 2.45 0.31 0.12 -3.68 118.33 113.84 2o2p n VAL 523 Ca 0.07 -0.08 -0.04 0.00 -0.01 0.00 0.00 64.34 64.28 2o2p n VAL 523 Cb 0.27 -2.02 0.04 0.00 -0.91 0.00 0.00 33.84 31.22 2o2p n VAL 523 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2o2p h GLY 524 N -0.98 0.42 1.91 2.92 0.00 -1.10 -1.03 103.07 105.21 2o2p h GLY 524 Ca -0.40 0.06 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 2o2p h GLY 524 CO -0.24 -0.12 -0.38 1.98 0.00 0.00 0.00 176.54 177.78 2o2p h MET 525 N 0.10 0.10 -0.52 4.80 4.05 -1.00 -2.03 114.93 120.42 2o2p h MET 525 Ca 0.22 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 2o2p h MET 525 Cb 0.32 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 2o2p h MET 525 CO -0.37 0.47 0.29 0.77 0.23 0.00 0.00 176.91 178.30 2o2p h SER 526 N 0.09 0.66 -0.28 1.39 0.02 -1.32 0.10 113.55 114.21 2o2p h SER 526 Ca 0.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2o2p h SER 526 Cb 0.72 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2o2p h SER 526 CO 0.05 0.56 0.14 0.40 -1.14 0.00 0.00 176.83 176.84 2o2p h ILE 527 N 0.70 1.15 -0.92 3.27 2.04 -1.09 -2.19 117.51 120.47 2o2p h ILE 527 Ca 0.18 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.72 2o2p h ILE 527 Cb 0.05 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 2o2p h ILE 527 CO -0.03 0.15 0.59 1.56 0.00 0.00 0.00 178.15 180.42 2o2p h GLN 528 N 0.32 0.94 -0.10 2.37 4.20 -1.03 -1.81 115.11 119.99 2o2p h GLN 528 Ca 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2o2p h GLN 528 Cb 0.11 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 2o2p h GLN 528 CO -0.01 0.62 0.03 1.15 -0.67 0.00 0.00 178.83 179.95 2o2p h THR 529 N 0.96 1.17 -0.67 -0.54 2.02 -0.30 0.55 112.91 116.11 2o2p h THR 529 Ca 0.42 -0.51 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 2o2p h THR 529 Cb 0.34 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 2o2p h THR 529 CO -0.18 0.15 0.16 -0.26 0.37 0.00 0.00 175.52 175.77 2o2p h PHE 530 N -0.01 1.10 -0.55 3.16 -1.00 -1.18 -1.54 116.94 116.92 2o2p h PHE 530 Ca 0.03 -0.12 -0.10 0.00 2.81 0.00 0.00 57.97 60.60 2o2p h PHE 530 Cb 0.20 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 2o2p h PHE 530 CO -0.01 0.90 -0.03 0.00 -1.61 0.00 0.00 178.31 177.56 2o2p h ARG 531 N 1.00 0.99 0.52 1.51 3.08 -1.17 -0.28 114.38 120.03 2o2p h ARG 531 Ca 0.21 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2o2p h ARG 531 Cb 0.35 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.32 2o2p h ARG 531 CO 0.00 1.00 -0.25 -0.92 -1.07 0.00 0.00 179.97 178.73 2o2p h TYR 532 N 0.87 -0.65 -0.03 3.04 3.20 -0.65 -2.77 116.97 119.98 2o2p h TYR 532 Ca 0.15 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 2o2p h TYR 532 Cb 0.58 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 2o2p h TYR 532 CO 0.04 -0.40 -0.44 0.74 -1.64 0.00 0.00 178.16 176.47 2o2p h PHE 533 N -0.72 0.07 -0.95 -3.82 0.04 -1.28 -1.96 116.94 108.32 2o2p h PHE 533 Ca -0.07 -0.02 0.12 0.00 2.80 0.00 0.00 57.97 60.80 2o2p h PHE 533 Cb 0.55 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 38.60 2o2p h PHE 533 CO -0.03 0.49 0.58 0.00 -0.60 0.00 0.00 178.31 178.74 2o2p h ALA 534 N 1.51 1.42 0.00 2.45 0.00 -1.01 -0.83 119.26 122.79 2o2p h ALA 534 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2o2p h ALA 534 Cb 0.80 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2o2p h ALA 534 CO 0.06 0.16 -0.13 0.78 0.00 0.00 0.00 179.25 180.13 2o2p h GLY 535 N 0.91 0.00 2.00 0.00 0.00 -1.06 -2.98 103.07 101.95 2o2p h GLY 535 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 2o2p h GLY 535 CO -0.27 0.00 -0.28 1.49 0.00 0.00 0.00 176.54 177.48 2o2p h TRP 536 N 0.00 0.00 -0.33 5.60 4.06 -1.08 -3.40 115.95 120.80 2o2p h TRP 536 Ca -0.00 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.02 2o2p h TRP 536 Cb 0.35 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.43 2o2p h TRP 536 CO 0.00 0.28 -0.22 0.00 -3.56 0.00 0.00 178.44 174.94 2o2p n ASP 538 N -5.37 3.57 0.00 0.00 5.75 -1.26 -3.66 116.55 115.58 2o2p n ASP 538 Ca 0.01 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.35 2o2p n ASP 538 Cb 0.29 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2o2p n ASP 538 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2o2p n LYS 539 N 0.49 0.83 -2.51 0.11 5.02 0.46 -4.97 118.16 117.60 2o2p n LYS 539 Ca 0.17 -0.86 -0.43 0.00 -2.02 0.00 0.00 58.31 55.17 2o2p n LYS 539 Cb 0.73 -0.90 -0.02 0.00 -0.02 0.00 0.00 35.03 34.82 2o2p n LYS 539 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2o2p s ILE 540 N -0.41 4.25 0.03 -0.18 1.01 -0.80 -5.02 121.20 120.07 2o2p s ILE 540 Ca 0.00 1.41 0.05 0.00 0.00 0.00 0.00 60.65 62.11 2o2p s ILE 540 Cb 0.00 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 2o2p s ILE 540 CO 0.00 -0.55 -0.16 -1.10 0.00 0.00 0.00 174.94 173.13 2o2p s GLN 541 N 4.07 1.14 0.00 2.79 -0.21 -1.26 -4.97 119.66 121.22 2o2p s GLN 541 Ca 0.52 -0.75 0.00 0.00 0.02 0.00 0.00 55.36 55.15 2o2p s GLN 541 Cb -0.14 -1.16 0.00 0.00 1.00 0.00 0.00 33.01 32.71 2o2p s GLN 541 CO 0.22 0.30 0.00 0.41 -2.12 0.00 0.00 175.29 174.10 2o2p n GLY 542 N 2.11 0.90 3.25 3.09 0.00 -1.26 -4.87 105.19 108.41 2o2p n GLY 542 Ca -0.17 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 43.87 2o2p n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o2p s ALA 543 N -2.98 1.48 -0.05 4.61 0.00 -1.22 -4.93 121.76 118.67 2o2p s ALA 543 Ca 0.00 -1.48 0.05 0.00 0.00 0.00 0.00 51.96 50.54 2o2p s ALA 543 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 2o2p s ALA 543 CO 0.00 -0.07 -0.22 0.95 0.00 0.00 0.00 175.76 176.42 2o2p s THR 544 N -3.18 2.34 -0.08 0.00 -4.23 -1.26 -0.53 115.64 108.70 2o2p s THR 544 Ca 0.16 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 2o2p s THR 544 Cb 0.02 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 72.00 2o2p s THR 544 CO 0.01 0.57 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.88 2o2p s ILE 545 N -0.32 1.39 -1.43 2.99 1.01 -0.22 -5.00 121.20 119.61 2o2p s ILE 545 Ca 0.01 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 2o2p s ILE 545 Cb -0.13 -1.25 0.06 0.00 0.01 0.00 0.00 42.46 41.15 2o2p s ILE 545 CO 0.02 0.41 2.21 -0.81 0.00 0.00 0.00 174.94 176.78 2o2p n PRO 546 N 3.83 3.12 -1.34 2.79 -0.04 -1.26 -4.21 135.00 137.89 2o2p n PRO 546 Ca -0.21 -2.79 -0.30 0.00 -0.04 0.00 0.00 63.50 60.15 2o2p n PRO 546 Cb 0.52 -3.16 0.10 0.00 -0.04 0.00 0.00 33.50 30.92 2o2p n PRO 546 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2o2p s ILE 547 N 2.41 3.21 0.38 0.52 -0.00 -1.26 -4.99 121.20 121.46 2o2p s ILE 547 Ca 0.47 0.39 -0.28 0.00 -0.00 0.00 0.00 60.65 61.24 2o2p s ILE 547 Cb 0.13 -2.96 -0.10 0.00 -0.00 0.00 0.00 42.46 39.54 2o2p s ILE 547 CO -0.07 -0.51 1.39 0.20 -0.00 0.00 0.00 174.94 175.95 2o2p s ASN 548 N -3.54 6.42 -0.07 4.36 -0.87 -1.26 -4.98 114.94 115.00 2o2p s ASN 548 Ca 0.61 2.86 -0.15 0.00 -1.57 0.00 0.00 52.86 54.61 2o2p s ASN 548 Cb -0.16 -2.66 -0.05 0.00 -0.02 0.00 0.00 41.25 38.36 2o2p s ASN 548 CO 0.56 -0.80 0.38 -1.10 -2.57 0.00 0.00 177.10 173.57 2o2p s GLN 549 N -2.07 4.07 -1.47 -0.60 -1.52 -1.26 -4.87 119.66 111.94 2o2p s GLN 549 Ca 0.53 0.32 -0.13 0.00 -1.95 0.00 0.00 55.36 54.13 2o2p s GLN 549 Cb -0.43 -3.32 0.03 0.00 -0.22 0.00 0.00 33.01 29.08 2o2p s GLN 549 CO 0.57 0.47 2.32 0.00 -0.25 0.00 0.00 175.29 178.40 2o2p n ALA 550 N 2.66 5.88 -1.76 6.09 0.00 -1.25 -4.96 120.51 127.17 2o2p n ALA 550 Ca -0.12 -3.86 -0.40 0.00 0.00 0.00 0.00 53.44 49.06 2o2p n ALA 550 Cb 0.52 -3.46 0.02 0.00 0.00 0.00 0.00 19.45 16.53 2o2p n ALA 550 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2o2p n ARG 551 N 5.46 2.24 0.00 0.00 5.12 -1.26 -0.54 116.66 127.68 2o2p n ARG 551 Ca 0.56 0.80 0.05 0.00 -1.93 0.00 0.00 57.85 57.33 2o2p n ARG 551 Cb 0.36 -2.62 0.31 0.00 -1.16 0.00 0.00 32.46 29.36 2o2p n ARG 551 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2o2p n PRO 552 N -0.17 0.98 -2.45 5.56 -0.04 -1.26 -5.07 135.00 132.55 2o2p n PRO 552 Ca 0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 2o2p n PRO 552 Cb 0.41 -1.17 0.10 0.00 -0.04 0.00 0.00 33.50 32.81 2o2p n PRO 552 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2o2p s ASN 553 N -1.35 4.36 0.26 3.54 0.01 0.30 -5.12 114.94 116.95 2o2p s ASN 553 Ca 0.16 -0.13 0.12 0.00 -0.71 0.00 0.00 52.86 52.30 2o2p s ASN 553 Cb 0.07 -0.31 -0.05 0.00 0.41 0.00 0.00 41.25 41.38 2o2p s ASN 553 CO 0.12 -1.85 -0.19 -0.13 -1.51 0.00 0.00 177.10 173.53 2o2p s ARG 554 N -5.21 1.69 0.04 -0.60 0.52 -0.04 -3.85 118.95 111.50 2o2p s ARG 554 Ca 0.65 -1.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.19 2o2p s ARG 554 Cb -0.06 -1.81 -0.02 0.00 0.52 0.00 0.00 34.95 33.58 2o2p s ARG 554 CO 0.45 0.34 -0.10 -0.80 0.02 0.00 0.00 175.30 175.21 2o2p s ASN 555 N -3.37 1.19 -0.09 0.23 -0.87 -1.26 -0.83 114.94 109.94 2o2p s ASN 555 Ca 0.29 -0.45 0.02 0.00 -1.57 0.00 0.00 52.86 51.15 2o2p s ASN 555 Cb -0.06 -0.04 0.01 0.00 -0.02 0.00 0.00 41.25 41.15 2o2p s ASN 555 CO 0.14 -0.06 -0.15 -0.22 -2.57 0.00 0.00 177.10 174.24 2o2p s LEU 556 N -1.20 1.73 -0.10 0.60 2.96 -0.87 -4.93 118.68 116.87 2o2p s LEU 556 Ca -0.03 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 2o2p s LEU 556 Cb -0.08 -1.03 0.01 0.00 0.50 0.00 0.00 46.19 45.59 2o2p s LEU 556 CO 0.01 0.04 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.00 2o2p s THR 557 N 0.81 1.70 0.19 3.68 2.01 -1.26 -0.16 115.64 122.61 2o2p s THR 557 Ca -0.11 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.13 2o2p s THR 557 Cb -0.16 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 2o2p s THR 557 CO 0.01 0.48 -0.03 -1.48 -0.69 0.00 0.00 174.62 172.92 2o2p s LEU 558 N 0.63 2.26 0.11 4.42 0.05 -0.17 -1.06 118.68 124.92 2o2p s LEU 558 Ca -0.13 -1.15 0.10 0.00 0.05 0.00 0.00 54.13 53.00 2o2p s LEU 558 Cb -0.16 -0.22 -0.04 0.00 -2.05 0.00 0.00 46.19 43.72 2o2p s LEU 558 CO 0.04 -0.48 -0.26 0.42 -0.55 0.00 0.00 176.35 175.52 2o2p s THR 559 N -3.47 2.16 -0.10 5.48 -4.23 0.31 -0.43 115.64 115.35 2o2p s THR 559 Ca 0.24 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 2o2p s THR 559 Cb 0.05 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 2o2p s THR 559 CO 0.05 0.14 -0.20 -0.75 -0.54 0.00 0.00 174.62 173.32 2o2p s LYS 560 N -1.83 3.05 -0.16 3.99 2.20 0.36 -3.39 119.74 123.97 2o2p s LYS 560 Ca 0.12 -0.81 -0.22 0.00 -0.36 0.00 0.00 55.97 54.71 2o2p s LYS 560 Cb -0.10 -2.39 -0.03 0.00 -1.51 0.00 0.00 37.83 33.80 2o2p s LYS 560 CO 0.05 0.25 0.66 0.15 -0.36 0.00 0.00 175.35 176.09 2o2p s LYS 561 N 0.21 4.29 0.17 4.03 -0.14 -1.26 -0.61 119.74 126.42 2o2p s LYS 561 Ca -0.12 0.72 0.08 0.00 -1.36 0.00 0.00 55.97 55.28 2o2p s LYS 561 Cb -0.16 -3.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.41 2o2p s LYS 561 CO 0.07 -0.15 -0.16 -1.21 -0.76 0.00 0.00 175.35 173.14 2o2p s GLU 562 N 1.58 1.25 0.73 1.68 2.02 -0.22 -4.97 118.70 120.77 2o2p s GLU 562 Ca 0.32 -1.46 -0.13 0.00 0.02 0.00 0.00 54.97 53.71 2o2p s GLU 562 Cb -0.16 -1.15 0.04 0.00 0.10 0.00 0.00 34.13 32.96 2o2p s GLU 562 CO 0.12 0.21 1.13 -2.14 0.02 0.00 0.00 175.26 174.60 2o2p s PRO 563 N -3.17 2.34 0.11 0.39 0.02 -1.25 -0.48 135.00 132.96 2o2p s PRO 563 Ca 0.18 1.42 0.04 0.00 0.02 0.00 0.00 61.00 62.66 2o2p s PRO 563 Cb -0.03 -1.89 -0.23 0.00 0.02 0.00 0.00 34.50 32.37 2o2p s PRO 563 CO 0.06 -1.61 1.25 -0.39 -0.33 0.00 0.00 177.00 175.98 2o2p h VAL 564 N -0.54 1.67 0.00 3.83 -1.51 -1.85 -3.41 116.25 114.44 2o2p h VAL 564 Ca -0.46 -3.34 0.00 0.00 -1.23 0.00 0.00 66.70 61.67 2o2p h VAL 564 Cb 1.25 2.87 0.00 0.00 -2.13 0.00 0.00 31.29 33.28 2o2p h VAL 564 CO 0.51 0.96 0.00 0.61 -1.23 0.00 0.00 177.57 178.42 2o2p n GLY 565 N 1.39 0.09 3.69 5.19 0.00 -1.26 -4.85 105.19 109.44 2o2p n GLY 565 Ca -0.02 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2o2p n GLY 565 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o2p s VAL 566 N -0.17 4.15 0.09 1.61 1.01 -1.26 -3.18 120.40 122.64 2o2p s VAL 566 Ca 0.00 1.50 0.07 0.00 0.00 0.00 0.00 61.98 63.56 2o2p s VAL 566 Cb 0.00 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2o2p s VAL 566 CO 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 175.10 174.99 2o2p s GLY 568 N -2.00 1.60 -0.04 0.00 0.00 -0.05 -1.11 107.32 105.72 2o2p s GLY 568 Ca 0.19 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 44.06 2o2p s GLY 568 CO 0.11 -0.29 -0.15 -0.26 0.00 0.00 0.00 173.10 172.51 2o2p s ILE 569 N 0.08 1.27 -0.18 0.90 -4.36 -0.29 -0.89 121.20 117.74 2o2p s ILE 569 Ca -0.04 -0.62 -0.01 0.00 -0.26 0.00 0.00 60.65 59.72 2o2p s ILE 569 Cb -0.14 -1.10 -0.00 0.00 1.25 0.00 0.00 42.46 42.46 2o2p s ILE 569 CO 0.04 0.37 -0.11 -0.69 0.24 0.00 0.00 174.94 174.79 2o2p s VAL 570 N 0.10 2.92 -0.11 8.37 1.01 -0.17 -0.64 120.40 131.89 2o2p s VAL 570 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2o2p s VAL 570 Cb -0.11 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2o2p s VAL 570 CO 0.02 0.49 -0.10 -0.63 0.00 0.00 0.00 175.10 174.88 2o2p s ILE 571 N 1.01 3.36 0.97 2.22 -1.09 -0.43 -2.60 121.20 124.64 2o2p s ILE 571 Ca -0.01 -0.57 -0.16 0.00 -2.23 0.00 0.00 60.65 57.67 2o2p s ILE 571 Cb -0.15 -2.40 0.20 0.00 -1.58 0.00 0.00 42.46 38.54 2o2p s ILE 571 CO -0.02 0.55 1.30 -2.16 -1.23 0.00 0.00 174.94 173.38 2o2p s PRO 572 N -0.11 0.58 0.00 2.79 0.04 -1.25 -2.17 135.00 134.87 2o2p s PRO 572 Ca -0.00 -0.36 0.24 0.00 0.04 0.00 0.00 61.00 60.92 2o2p s PRO 572 Cb -0.13 -1.83 0.23 0.00 0.04 0.00 0.00 34.50 32.81 2o2p s PRO 572 CO 0.03 -2.47 1.24 -2.67 0.04 0.00 0.00 177.00 173.18 2o2p n TRP 573 N -3.82 0.00 -0.07 0.56 4.27 -1.26 -4.31 117.44 112.81 2o2p n TRP 573 Ca 0.15 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.62 2o2p n TRP 573 Cb 0.59 -0.03 -0.06 0.00 -1.36 0.00 0.00 31.31 30.45 2o2p n TRP 573 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 2o2p h ASN 574 N 2.23 0.61 -2.70 -0.67 -1.07 -1.95 -3.36 115.58 108.66 2o2p h ASN 574 Ca 0.00 -0.50 -0.60 0.00 0.07 0.00 0.00 56.30 55.27 2o2p h ASN 574 Cb 0.70 -0.17 -0.40 0.00 -2.07 0.00 0.00 38.32 36.38 2o2p h ASN 574 CO 0.00 0.99 -0.82 -0.31 0.07 0.00 0.00 177.43 177.36 2o2p s TYR 575 N -4.23 1.95 0.13 4.14 1.51 -1.26 -4.96 117.35 114.63 2o2p s TYR 575 Ca -0.13 -2.64 -0.26 0.00 -1.01 0.00 0.00 57.07 53.03 2o2p s TYR 575 Cb 0.07 -1.58 -0.05 0.00 -0.11 0.00 0.00 41.96 40.30 2o2p s TYR 575 CO 0.80 -0.73 1.62 -1.35 -1.11 0.00 0.00 175.55 174.78 2o2p h PRO 576 N 5.70 -0.41 -0.36 -1.71 0.11 -1.75 -0.06 132.00 133.51 2o2p h PRO 576 Ca 0.20 0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.17 2o2p h PRO 576 Cb 0.86 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 2o2p h PRO 576 CO 0.49 -0.28 -0.43 1.25 -0.21 0.00 0.00 178.00 178.83 2o2p h LEU 577 N -0.43 0.98 -0.05 2.35 5.85 -1.92 -2.51 115.31 119.59 2o2p h LEU 577 Ca 0.07 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 2o2p h LEU 577 Cb 0.53 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2o2p h LEU 577 CO -0.26 1.27 0.00 -0.03 -0.34 0.00 0.00 178.44 179.08 2o2p h MET 578 N 0.73 0.09 -0.60 1.25 4.05 -1.57 0.57 114.93 119.44 2o2p h MET 578 Ca 0.05 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.39 2o2p h MET 578 Cb 1.02 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.79 2o2p h MET 578 CO 0.10 0.35 0.18 0.52 0.23 0.00 0.00 176.91 178.29 2o2p h MET 579 N -0.19 0.91 -0.45 0.39 2.86 -1.08 0.23 114.93 117.60 2o2p h MET 579 Ca 0.01 -0.18 0.05 0.00 -2.06 0.00 0.00 59.70 57.52 2o2p h MET 579 Cb 0.31 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 2o2p h MET 579 CO 0.00 0.79 0.20 1.25 1.06 0.00 0.00 176.91 180.21 2o2p h LEU 580 N 0.88 0.26 -0.33 1.22 6.46 -1.24 -3.04 115.31 119.53 2o2p h LEU 580 Ca 0.20 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.94 2o2p h LEU 580 Cb 0.27 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2o2p h LEU 580 CO -0.01 0.19 -0.02 0.28 -0.62 0.00 0.00 178.44 178.26 2o2p h SER 581 N 0.40 0.58 -0.46 1.25 0.02 0.08 -0.09 113.55 115.33 2o2p h SER 581 Ca 0.20 -0.32 0.08 0.00 -0.84 0.00 0.00 61.79 60.91 2o2p h SER 581 Cb 0.15 -0.16 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 2o2p h SER 581 CO -0.17 0.76 -0.42 -0.50 -1.14 0.00 0.00 176.83 175.37 2o2p h TRP 582 N 0.38 -1.21 -0.02 3.45 4.06 -0.89 -0.59 115.95 121.13 2o2p h TRP 582 Ca 0.09 0.07 -0.20 0.00 2.06 0.00 0.00 58.89 60.91 2o2p h TRP 582 Cb 0.48 0.59 0.01 0.00 -1.00 0.00 0.00 29.16 29.24 2o2p h TRP 582 CO 0.04 -0.43 -0.76 0.87 -3.56 0.00 0.00 178.44 174.60 2o2p h LYS 583 N -0.29 0.54 -0.56 0.49 1.57 -1.42 -3.18 116.57 113.72 2o2p h LYS 583 Ca 0.16 -0.56 -0.06 0.00 -1.87 0.00 0.00 60.65 58.31 2o2p h LYS 583 Cb 0.57 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2o2p h LYS 583 CO -0.60 1.19 0.10 1.15 -0.57 0.00 0.00 179.45 180.71 2o2p h THR 584 N 0.12 1.25 -0.26 -0.16 2.02 -0.89 -1.31 112.91 113.68 2o2p h THR 584 Ca -0.09 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 2o2p h THR 584 Cb 1.44 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2o2p h THR 584 CO 0.15 0.35 0.10 0.00 0.37 0.00 0.00 175.52 176.48 2o2p h ALA 585 N 1.00 0.34 -0.41 6.16 0.00 -1.18 0.26 119.26 125.43 2o2p h ALA 585 Ca 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2o2p h ALA 585 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2o2p h ALA 585 CO 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 179.25 179.24 2o2p h ALA 586 N 0.93 0.54 -0.10 0.00 0.00 -1.51 -0.03 119.26 119.10 2o2p h ALA 586 Ca 0.09 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2o2p h ALA 586 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2o2p h ALA 586 CO -0.01 0.29 -0.02 0.00 0.00 0.00 0.00 179.25 179.51 2o2p h LEU 588 N 0.01 0.78 -1.83 0.00 3.38 -0.90 -2.80 115.31 113.96 2o2p h LEU 588 Ca 0.05 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2o2p h LEU 588 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2o2p h LEU 588 CO -0.09 1.15 0.13 0.00 0.09 0.00 0.00 178.44 179.72 2o2p h ALA 589 N 0.87 1.89 -0.00 1.53 0.00 -0.77 -0.51 119.26 122.26 2o2p h ALA 589 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2o2p h ALA 589 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2o2p h ALA 589 CO 0.11 0.10 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 2o2p n ALA 590 N -2.51 2.60 -0.26 0.00 0.00 -0.81 -4.58 120.51 114.95 2o2p n ALA 590 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2o2p n ALA 590 Cb 0.09 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2o2p n ALA 590 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o2p n GLY 591 N 1.14 0.84 3.93 0.00 0.00 -0.20 -3.97 105.19 106.93 2o2p n GLY 591 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 2o2p n GLY 591 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2o2p s ASN 592 N -2.12 4.55 0.32 1.61 0.01 -1.07 -4.86 114.94 113.38 2o2p s ASN 592 Ca 0.00 0.43 0.10 0.00 -0.71 0.00 0.00 52.86 52.68 2o2p s ASN 592 Cb 0.00 -0.97 -0.06 0.00 0.41 0.00 0.00 41.25 40.63 2o2p s ASN 592 CO 0.00 -1.79 -0.10 0.42 -1.51 0.00 0.00 177.10 174.12 2o2p s THR 593 N -3.36 2.46 -0.01 1.60 -4.23 -1.19 -4.56 115.64 106.35 2o2p s THR 593 Ca 0.62 -2.21 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2o2p s THR 593 Cb -0.10 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2o2p s THR 593 CO 0.46 -0.27 0.09 0.54 -0.54 0.00 0.00 174.62 174.90 2o2p s VAL 594 N -2.54 0.05 -0.20 2.29 0.11 0.13 -0.82 120.40 119.42 2o2p s VAL 594 Ca 0.32 -0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 58.91 2o2p s VAL 594 Cb -0.01 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2o2p s VAL 594 CO 0.17 -0.24 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.89 2o2p s VAL 595 N -0.79 2.85 -0.15 2.04 1.01 -0.27 -1.62 120.40 123.47 2o2p s VAL 595 Ca -0.09 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2o2p s VAL 595 Cb -0.05 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2o2p s VAL 595 CO 0.00 0.48 -0.01 -0.63 0.00 0.00 0.00 175.10 174.94 2o2p s ILE 596 N 1.29 4.14 -0.42 2.22 1.01 0.97 -1.13 121.20 129.28 2o2p s ILE 596 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 2o2p s ILE 596 Cb -0.14 -2.82 0.11 0.00 0.01 0.00 0.00 42.46 39.62 2o2p s ILE 596 CO -0.06 0.50 0.21 -0.75 0.00 0.00 0.00 174.94 174.84 2o2p s LYS 597 N 0.21 1.99 0.65 2.79 2.47 0.19 -0.70 119.74 127.34 2o2p s LYS 597 Ca -0.01 -1.87 -0.13 0.00 -1.56 0.00 0.00 55.97 52.40 2o2p s LYS 597 Cb -0.13 -3.56 -0.01 0.00 -1.46 0.00 0.00 37.83 32.66 2o2p s LYS 597 CO 0.02 -1.07 1.05 -1.25 0.16 0.00 0.00 175.35 174.27 2o2p s PRO 598 N 1.04 3.13 0.47 4.03 0.04 -1.26 -1.31 135.00 141.14 2o2p s PRO 598 Ca 0.09 1.04 -0.23 0.00 0.04 0.00 0.00 61.00 61.94 2o2p s PRO 598 Cb -0.22 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 2o2p s PRO 598 CO -0.04 -0.95 1.14 0.00 0.04 0.00 0.00 177.00 177.19 2o2p n ALA 599 N -2.65 0.76 -0.25 8.56 0.00 -0.92 -4.58 120.51 121.43 2o2p n ALA 599 Ca 0.08 0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.74 2o2p n ALA 599 Cb 0.53 -2.19 0.15 0.00 0.00 0.00 0.00 19.45 17.95 2o2p n ALA 599 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2o2p h GLN 600 N 1.56 0.55 0.00 0.00 4.15 -1.91 -2.17 115.11 117.29 2o2p h GLN 600 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2o2p h GLN 600 Cb 1.32 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.89 2o2p h GLN 600 CO 0.57 0.37 0.00 1.33 -1.93 0.00 0.00 178.83 179.17 2o2p n VAL 601 N -4.89 0.63 -3.19 2.39 0.24 -1.26 -4.17 118.33 108.08 2o2p n VAL 601 Ca 0.12 0.13 -0.22 0.00 -2.04 0.00 0.00 64.34 62.34 2o2p n VAL 601 Cb 0.31 -0.83 -0.06 0.00 -1.47 0.00 0.00 33.84 31.80 2o2p n VAL 601 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2o2p n THR 602 N -1.62 -0.47 0.16 3.34 -2.24 -0.82 -4.74 114.28 107.90 2o2p n THR 602 Ca 0.05 -4.24 0.10 0.00 -2.27 0.00 0.00 64.05 57.68 2o2p n THR 602 Cb 0.25 -1.33 0.08 0.00 -2.10 0.00 0.00 70.33 67.23 2o2p n THR 602 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2o2p h PRO 603 N 3.63 0.00 -0.24 -0.78 0.13 -1.72 -3.40 132.00 129.62 2o2p h PRO 603 Ca 0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.11 2o2p h PRO 603 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2o2p h PRO 603 CO 0.48 0.09 -0.26 -0.07 -0.23 0.00 0.00 178.00 178.01 2o2p h LEU 604 N 0.00 0.64 -1.10 1.56 3.38 -1.92 -2.38 115.31 115.49 2o2p h LEU 604 Ca -0.01 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 2o2p h LEU 604 Cb 1.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2o2p h LEU 604 CO 0.01 0.99 -0.41 0.71 0.09 0.00 0.00 178.44 179.83 2o2p h THR 605 N 0.30 1.30 -0.73 0.22 1.35 -1.89 -1.38 112.91 112.08 2o2p h THR 605 Ca 0.04 -1.46 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 2o2p h THR 605 Cb 0.82 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 2o2p h THR 605 CO 0.06 0.42 0.42 0.00 -0.25 0.00 0.00 175.52 176.18 2o2p h ALA 606 N 1.52 0.93 -0.04 6.62 0.00 -1.80 0.11 119.26 126.61 2o2p h ALA 606 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 2o2p h ALA 606 Cb 0.76 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2o2p h ALA 606 CO 0.06 0.42 -0.76 -0.07 0.00 0.00 0.00 179.25 178.90 2o2p h LEU 607 N 1.00 0.33 -0.45 0.00 3.38 -1.00 -0.67 115.31 117.90 2o2p h LEU 607 Ca 0.26 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2o2p h LEU 607 Cb -0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2o2p h LEU 607 CO -0.05 0.97 0.02 0.50 0.09 0.00 0.00 178.44 179.97 2o2p h LYS 608 N 0.18 0.79 -0.66 1.13 1.63 -1.09 -2.58 116.57 115.97 2o2p h LYS 608 Ca -0.03 -0.24 0.11 0.00 -0.85 0.00 0.00 60.65 59.64 2o2p h LYS 608 Cb 1.33 -0.08 -0.08 0.00 -0.60 0.00 0.00 32.23 32.81 2o2p h LYS 608 CO 0.12 0.84 0.24 0.35 -3.45 0.00 0.00 179.45 177.55 2o2p h PHE 609 N 0.64 0.41 -0.48 1.91 3.57 -0.53 -1.35 116.94 121.11 2o2p h PHE 609 Ca 0.13 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.74 2o2p h PHE 609 Cb 0.47 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 2o2p h PHE 609 CO 0.04 0.07 0.10 0.00 -2.23 0.00 0.00 178.31 176.28 2o2p h ALA 610 N 1.47 0.53 -0.89 2.41 0.00 -0.83 -0.59 119.26 121.36 2o2p h ALA 610 Ca 0.34 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.36 2o2p h ALA 610 Cb 0.47 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2o2p h ALA 610 CO -0.35 -0.31 0.58 1.49 0.00 0.00 0.00 179.25 180.66 2o2p h GLU 611 N 0.23 1.18 0.00 0.00 4.81 -0.94 -1.79 114.58 118.07 2o2p h GLU 611 Ca 0.24 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 2o2p h GLU 611 Cb 0.31 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2o2p h GLU 611 CO -0.31 0.79 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.46 2o2p h LEU 612 N 1.21 0.00 -1.11 1.64 3.38 -0.11 -1.64 115.31 118.68 2o2p h LEU 612 Ca 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 2o2p h LEU 612 Cb -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2o2p h LEU 612 CO -0.07 0.22 -0.01 0.71 0.09 0.00 0.00 178.44 179.39 2o2p h THR 613 N 0.00 1.22 -0.08 0.22 1.35 -0.30 -0.83 112.91 114.48 2o2p h THR 613 Ca -0.00 -0.88 -0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2o2p h THR 613 Cb 0.44 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 2o2p h THR 613 CO 0.03 0.30 0.05 -0.07 -0.25 0.00 0.00 175.52 175.58 2o2p h LEU 614 N 0.58 0.10 -1.77 3.87 3.38 -1.19 -1.49 115.31 118.78 2o2p h LEU 614 Ca 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2o2p h LEU 614 Cb 0.38 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2o2p h LEU 614 CO 0.01 0.10 -0.05 0.11 0.09 0.00 0.00 178.44 178.71 2o2p h LYS 615 N 0.08 0.08 -0.00 1.13 1.57 -1.10 -2.04 116.57 116.30 2o2p h LYS 615 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2o2p h LYS 615 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2o2p h LYS 615 CO -0.01 0.14 -0.28 0.00 -0.57 0.00 0.00 179.45 178.73 2o2p n ALA 616 N -2.52 3.04 -1.85 3.86 0.00 -0.35 -4.95 120.51 117.75 2o2p n ALA 616 Ca -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 2o2p n ALA 616 Cb 0.16 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 2o2p n ALA 616 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o2p n GLY 617 N 1.47 0.33 3.70 0.00 0.00 -0.77 -4.73 105.19 105.20 2o2p n GLY 617 Ca 0.07 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2o2p n GLY 617 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o2p s ILE 618 N -2.11 3.23 0.39 -0.61 -1.09 -0.63 -4.95 121.20 115.43 2o2p s ILE 618 Ca 0.00 0.78 -0.25 0.00 -2.23 0.00 0.00 60.65 58.95 2o2p s ILE 618 Cb 0.00 -3.50 -0.11 0.00 -1.58 0.00 0.00 42.46 37.26 2o2p s ILE 618 CO 0.00 0.03 0.97 -2.65 -1.23 0.00 0.00 174.94 172.06 2o2p n PRO 619 N 4.70 1.29 -1.89 2.79 -0.02 -1.26 -4.74 135.00 135.86 2o2p n PRO 619 Ca 0.13 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 2o2p n PRO 619 Cb 0.42 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 2o2p n PRO 619 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2o2p s LYS 620 N -1.88 4.19 0.00 -0.52 1.02 -1.26 -2.44 119.74 118.85 2o2p s LYS 620 Ca 0.62 2.44 0.00 0.00 0.02 0.00 0.00 55.97 59.05 2o2p s LYS 620 Cb -0.59 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 2o2p s LYS 620 CO 0.58 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 2o2p n GLY 621 N 2.87 0.88 0.26 -3.33 0.00 -1.26 -4.71 105.19 99.91 2o2p n GLY 621 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 2o2p n GLY 621 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2o2p h VAL 622 N 0.00 1.27 -3.26 1.61 2.07 -1.76 -3.26 116.25 112.92 2o2p h VAL 622 Ca 0.00 -1.49 -0.67 0.00 0.82 0.00 0.00 66.70 65.36 2o2p h VAL 622 Cb 0.00 1.32 -0.34 0.00 -1.52 0.00 0.00 31.29 30.76 2o2p h VAL 622 CO 0.00 0.50 -0.87 -0.69 0.02 0.00 0.00 177.57 176.53 2o2p s VAL 623 N -4.46 1.99 -0.01 2.57 1.01 -1.26 -0.70 120.40 119.54 2o2p s VAL 623 Ca -0.10 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 60.95 2o2p s VAL 623 Cb 0.12 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2o2p s VAL 623 CO 0.87 0.54 -0.10 0.20 0.00 0.00 0.00 175.10 176.61 2o2p s ASN 624 N 0.67 1.18 -0.07 3.32 0.01 -0.64 -4.58 114.94 114.83 2o2p s ASN 624 Ca -0.11 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 51.87 2o2p s ASN 624 Cb -0.16 -0.17 0.02 0.00 0.41 0.00 0.00 41.25 41.34 2o2p s ASN 624 CO 0.02 0.11 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.99 2o2p s ILE 625 N -0.14 1.00 -0.58 0.60 1.01 0.46 -0.02 121.20 123.53 2o2p s ILE 625 Ca 0.02 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.33 2o2p s ILE 625 Cb -0.05 -0.94 0.16 0.00 0.01 0.00 0.00 42.46 41.64 2o2p s ILE 625 CO -0.00 0.33 0.39 -0.76 0.00 0.00 0.00 174.94 174.90 2o2p s LEU 626 N 0.82 3.70 0.68 2.97 1.43 0.12 -1.41 118.68 126.99 2o2p s LEU 626 Ca -0.12 -3.39 -0.16 0.00 -1.03 0.00 0.00 54.13 49.43 2o2p s LEU 626 Cb -0.15 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.79 2o2p s LEU 626 CO 0.02 -0.15 1.20 -2.16 0.23 0.00 0.00 176.35 175.49 2o2p s PRO 627 N -0.71 2.44 0.00 1.29 0.04 -1.26 -4.41 135.00 132.39 2o2p s PRO 627 Ca 0.24 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2o2p s PRO 627 Cb -0.08 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2o2p s PRO 627 CO -0.13 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 175.73 2o2p n GLY 628 N 0.33 0.43 3.70 0.56 0.00 -1.26 -1.51 105.19 107.45 2o2p n GLY 628 Ca 0.13 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 2o2p n GLY 628 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2o2p s SER 629 N -4.00 7.06 0.17 1.61 0.15 -1.26 -3.85 113.70 113.57 2o2p s SER 629 Ca 0.00 1.90 -0.14 0.00 0.70 0.00 0.00 55.95 58.41 2o2p s SER 629 Cb 0.00 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.81 2o2p s SER 629 CO 0.00 -0.54 1.83 1.23 1.20 0.00 0.00 173.24 176.96 2o2p h GLY 630 N 7.67 0.72 0.97 9.45 0.00 -1.97 -1.55 103.07 118.36 2o2p h GLY 630 Ca -0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 2o2p h GLY 630 CO 0.85 0.25 0.22 1.48 0.00 0.00 0.00 176.54 179.35 2o2p h SER 631 N 0.68 0.53 0.67 0.19 4.64 -1.98 -0.86 113.55 117.41 2o2p h SER 631 Ca 0.19 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 2o2p h SER 631 Cb -0.07 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2o2p h SER 631 CO -0.05 0.47 -0.32 0.25 -0.87 0.00 0.00 176.83 176.32 2o2p h LEU 632 N 0.54 -0.76 -0.13 5.97 6.46 -1.91 -2.15 115.31 123.33 2o2p h LEU 632 Ca 0.15 -0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.82 2o2p h LEU 632 Cb 0.07 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2o2p h LEU 632 CO -0.02 -0.46 -0.21 0.58 -0.62 0.00 0.00 178.44 177.71 2o2p h VAL 633 N -1.04 1.37 -0.64 1.05 2.07 -1.33 -2.30 116.25 115.43 2o2p h VAL 633 Ca -0.09 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 2o2p h VAL 633 Cb 0.72 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 2o2p h VAL 633 CO 0.15 0.43 0.37 1.23 0.02 0.00 0.00 177.57 179.77 2o2p h GLY 634 N -0.04 0.95 0.93 2.17 0.00 -1.26 -0.82 103.07 104.99 2o2p h GLY 634 Ca 0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2o2p h GLY 634 CO 0.05 0.39 0.03 -1.61 0.00 0.00 0.00 176.54 175.40 2o2p h GLN 635 N 0.87 0.07 -0.61 4.80 5.75 -1.39 -1.37 115.11 123.23 2o2p h GLN 635 Ca 0.23 -0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.65 2o2p h GLN 635 Cb 0.00 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 2o2p h GLN 635 CO -0.04 0.12 0.11 -0.09 -2.65 0.00 0.00 178.83 176.29 2o2p h ARG 636 N -0.01 1.00 -0.47 1.69 9.65 -1.15 -1.16 114.38 123.92 2o2p h ARG 636 Ca 0.02 -0.26 0.02 0.00 -1.10 0.00 0.00 59.98 58.66 2o2p h ARG 636 Cb 0.08 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 2o2p h ARG 636 CO -0.00 0.93 0.27 -0.07 2.80 0.00 0.00 179.97 183.90 2o2p h LEU 637 N 0.91 0.44 -1.49 3.80 3.38 -1.11 -0.48 115.31 120.76 2o2p h LEU 637 Ca 0.19 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2o2p h LEU 637 Cb 0.41 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2o2p h LEU 637 CO 0.01 0.31 -0.24 0.77 0.09 0.00 0.00 178.44 179.38 2o2p h SER 638 N 0.55 0.00 1.29 -0.43 4.64 -0.89 -2.80 113.55 115.91 2o2p h SER 638 Ca 0.19 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2o2p h SER 638 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2o2p h SER 638 CO -0.10 0.24 -0.72 0.44 -0.87 0.00 0.00 176.83 175.83 2o2p h ASP 639 N 0.00 0.00 -2.92 4.97 3.32 -0.82 -3.31 116.42 117.66 2o2p h ASP 639 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2o2p h ASP 639 Cb 0.55 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.12 2o2p h ASP 639 CO 0.03 0.01 0.79 -2.28 -1.72 0.00 0.00 179.24 176.08 2o2p s HIS 640 N -3.31 3.12 0.44 4.55 2.46 -0.22 -4.83 115.29 117.49 2o2p s HIS 640 Ca 0.02 0.81 0.37 0.00 0.47 0.00 0.00 55.06 56.73 2o2p s HIS 640 Cb 0.08 -3.77 1.88 0.00 -0.13 0.00 0.00 32.58 30.64 2o2p s HIS 640 CO 0.76 -2.79 2.19 -1.00 -2.47 0.00 0.00 174.74 171.42 2o2p h PRO 641 N 6.96 0.00 -0.01 2.88 0.13 -1.90 -2.97 132.00 137.09 2o2p h PRO 641 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2o2p h PRO 641 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2o2p h PRO 641 CO 0.89 0.03 -0.66 -0.25 -0.23 0.00 0.00 178.00 177.77 2o2p n ASP 642 N -3.24 1.22 -4.74 1.44 10.43 -1.26 -4.88 116.55 115.53 2o2p n ASP 642 Ca -0.02 -1.00 -0.40 0.00 2.57 0.00 0.00 54.79 55.94 2o2p n ASP 642 Cb 0.18 0.60 -0.05 0.00 1.84 0.00 0.00 41.12 43.69 2o2p n ASP 642 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2o2p s VAL 643 N -2.78 4.92 -0.44 2.53 1.01 -1.13 -4.44 120.40 120.08 2o2p s VAL 643 Ca 0.14 1.45 0.09 0.00 0.00 0.00 0.00 61.98 63.65 2o2p s VAL 643 Cb 0.17 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.42 2o2p s VAL 643 CO 0.71 0.33 0.39 0.54 0.00 0.00 0.00 175.10 177.06 2o2p n ARG 644 N 3.24 3.96 -3.67 2.72 5.12 -0.08 -4.81 116.66 123.14 2o2p n ARG 644 Ca -0.03 -0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.76 2o2p n ARG 644 Cb 0.51 -0.93 -0.08 0.00 -1.16 0.00 0.00 32.46 30.80 2o2p n ARG 644 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2o2p s LYS 645 N -1.84 0.66 -0.09 5.56 2.36 -1.23 -1.83 119.74 123.34 2o2p s LYS 645 Ca 0.04 0.93 0.02 0.00 -2.55 0.00 0.00 55.97 54.40 2o2p s LYS 645 Cb 0.07 0.24 -0.02 0.00 -1.05 0.00 0.00 37.83 37.08 2o2p s LYS 645 CO 0.37 -0.11 -0.16 0.42 1.55 0.00 0.00 175.35 177.42 2o2p s ILE 646 N 0.79 2.82 -0.18 5.43 -1.09 0.04 -0.87 121.20 128.13 2o2p s ILE 646 Ca -0.04 -0.77 -0.02 0.00 -2.23 0.00 0.00 60.65 57.59 2o2p s ILE 646 Cb -0.05 -2.13 -0.01 0.00 -1.58 0.00 0.00 42.46 38.69 2o2p s ILE 646 CO -0.06 0.55 -0.10 -0.83 -1.23 0.00 0.00 174.94 173.28 2o2p s GLY 647 N -0.04 1.55 -0.06 6.18 0.00 -0.07 -1.55 107.32 113.32 2o2p s GLY 647 Ca -0.04 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.61 2o2p s GLY 647 CO 0.04 0.21 -0.11 -0.12 0.00 0.00 0.00 173.10 173.12 2o2p s PHE 648 N 1.09 1.32 -0.10 1.90 5.36 -0.53 -1.00 117.98 126.02 2o2p s PHE 648 Ca 0.00 -0.47 0.02 0.00 -0.96 0.00 0.00 56.93 55.53 2o2p s PHE 648 Cb -0.15 -0.99 0.01 0.00 -0.34 0.00 0.00 43.02 41.56 2o2p s PHE 648 CO -0.02 -0.25 -0.14 0.99 -1.46 0.00 0.00 175.22 174.34 2o2p s THR 649 N 0.66 1.39 -2.37 0.12 2.01 -1.07 -1.13 115.64 115.26 2o2p s THR 649 Ca -0.13 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.28 2o2p s THR 649 Cb -0.15 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.08 2o2p s THR 649 CO 0.03 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 2o2p n GLY 650 N 4.14 -0.65 3.82 4.40 0.00 -0.71 -3.88 105.19 112.30 2o2p n GLY 650 Ca -0.19 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 2o2p n GLY 650 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o2p s SER 651 N -4.00 6.21 0.17 1.61 1.04 -1.26 -4.18 113.70 113.29 2o2p s SER 651 Ca 0.00 1.74 -0.14 0.00 0.48 0.00 0.00 55.95 58.03 2o2p s SER 651 Cb 0.00 -2.53 0.10 0.00 0.10 0.00 0.00 66.02 63.69 2o2p s SER 651 CO 0.00 -0.87 1.79 0.74 0.98 0.00 0.00 173.24 175.88 2o2p h THR 652 N 0.83 0.99 -0.45 2.02 2.02 -1.94 -0.63 112.91 115.76 2o2p h THR 652 Ca -0.47 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 66.42 2o2p h THR 652 Cb 1.21 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2o2p h THR 652 CO 0.59 0.09 -0.17 -0.33 0.37 0.00 0.00 175.52 176.08 2o2p h GLU 653 N 0.50 0.90 -0.50 6.66 4.39 -1.97 -0.70 114.58 123.85 2o2p h GLU 653 Ca 0.20 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 2o2p h GLU 653 Cb 0.08 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2o2p h GLU 653 CO -0.12 1.02 0.13 0.28 -1.16 0.00 0.00 179.01 179.16 2o2p h VAL 654 N 0.73 1.24 -0.51 3.13 2.07 -1.92 -2.71 116.25 118.28 2o2p h VAL 654 Ca 0.11 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2o2p h VAL 654 Cb 0.73 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2o2p h VAL 654 CO 0.06 0.30 0.34 1.23 0.02 0.00 0.00 177.57 179.52 2o2p h GLY 655 N 0.69 0.72 0.61 2.17 0.00 -0.88 0.10 103.07 106.49 2o2p h GLY 655 Ca 0.16 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.30 2o2p h GLY 655 CO -0.00 0.27 0.51 0.50 0.00 0.00 0.00 176.54 177.81 2o2p h LYS 656 N 0.70 0.86 0.00 4.80 1.57 -1.08 -0.35 116.57 123.06 2o2p h LYS 656 Ca 0.19 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2o2p h LYS 656 Cb -0.08 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.04 2o2p h LYS 656 CO -0.04 0.57 -0.10 0.45 -0.57 0.00 0.00 179.45 179.75 2o2p h HIS 657 N 0.88 0.00 -0.03 -1.35 3.86 -1.05 -1.34 115.15 116.13 2o2p h HIS 657 Ca 0.39 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.60 2o2p h HIS 657 Cb 0.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 2o2p h HIS 657 CO -0.04 0.00 -0.00 0.82 0.86 0.00 0.00 177.93 179.56 2o2p h ILE 658 N 0.00 1.26 -0.88 2.45 1.08 -0.29 -2.21 117.51 118.91 2o2p h ILE 658 Ca 0.00 -0.78 -0.02 0.00 -0.39 0.00 0.00 64.86 63.66 2o2p h ILE 658 Cb 0.97 1.73 -0.04 0.00 -3.07 0.00 0.00 36.82 36.41 2o2p h ILE 658 CO 0.00 0.21 0.46 -0.03 -0.69 0.00 0.00 178.15 178.10 2o2p h MET 659 N -0.26 1.25 -0.65 2.37 4.05 -0.91 -0.62 114.93 120.16 2o2p h MET 659 Ca 0.01 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2o2p h MET 659 Cb 0.34 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 2o2p h MET 659 CO 0.00 0.93 0.41 -0.22 0.23 0.00 0.00 176.91 178.26 2o2p h LYS 660 N 1.25 0.88 -0.32 0.39 3.64 -1.28 -2.11 116.57 119.01 2o2p h LYS 660 Ca 0.31 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 2o2p h LYS 660 Cb 0.07 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2o2p h LYS 660 CO -0.04 0.61 -0.19 0.77 -2.27 0.00 0.00 179.45 178.33 2o2p h SER 661 N 0.88 0.59 -0.74 4.20 0.02 -0.86 -1.88 113.55 115.77 2o2p h SER 661 Ca 0.24 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2o2p h SER 661 Cb -0.05 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.28 2o2p h SER 661 CO -0.05 0.79 0.46 0.00 -1.14 0.00 0.00 176.83 176.89 2o2p h ALA 663 N 1.32 0.06 0.00 0.00 0.00 -0.98 -2.03 119.26 117.63 2o2p h ALA 663 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2o2p h ALA 663 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2o2p h ALA 663 CO -0.12 -0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.07 2o2p n LEU 664 N -4.96 0.75 0.00 0.00 4.77 -0.74 -3.59 117.00 113.23 2o2p n LEU 664 Ca -0.07 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2o2p n LEU 664 Cb 0.12 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2o2p n LEU 664 CO 0.34 -0.17 0.00 -1.54 -1.33 0.00 0.00 177.39 174.69 2o2p n SER 665 N -2.20 0.00 -1.12 -1.43 3.41 -1.00 -4.92 113.62 106.35 2o2p n SER 665 Ca 0.06 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.70 2o2p n SER 665 Cb 0.42 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.42 2o2p n SER 665 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2o2p n ASN 666 N -0.59 0.96 -4.29 4.04 6.94 -1.22 -5.00 115.26 116.10 2o2p n ASN 666 Ca 0.00 -2.31 -0.32 0.00 -0.02 0.00 0.00 54.58 51.93 2o2p n ASN 666 Cb 0.00 -0.32 -0.08 0.00 -2.36 0.00 0.00 39.78 37.02 2o2p n ASN 666 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2o2p n VAL 667 N 0.10 -1.19 -1.82 3.53 0.24 -0.78 -4.93 118.33 113.48 2o2p n VAL 667 Ca 0.07 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.34 61.59 2o2p n VAL 667 Cb 0.98 -1.20 0.05 0.00 -1.47 0.00 0.00 33.84 32.20 2o2p n VAL 667 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2o2p s LYS 668 N -7.24 2.72 0.60 7.34 -2.85 -1.12 -4.96 119.74 114.23 2o2p s LYS 668 Ca 0.11 1.73 -0.18 0.00 -1.00 0.00 0.00 55.97 56.62 2o2p s LYS 668 Cb -0.06 -1.91 -0.03 0.00 -2.06 0.00 0.00 37.83 33.77 2o2p s LYS 668 CO 0.99 -1.38 1.18 0.15 0.10 0.00 0.00 175.35 176.39 2o2p s LYS 669 N -3.62 2.99 -0.04 1.78 1.02 -0.76 -4.75 119.74 116.37 2o2p s LYS 669 Ca 0.75 1.73 -0.05 0.00 0.02 0.00 0.00 55.97 58.41 2o2p s LYS 669 Cb -0.28 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 2o2p s LYS 669 CO 0.38 -1.17 0.13 0.54 -0.92 0.00 0.00 175.35 174.31 2o2p s VAL 670 N -1.74 0.03 0.08 3.17 0.11 -1.26 -0.78 120.40 120.01 2o2p s VAL 670 Ca 0.75 -0.22 0.08 0.00 -2.93 0.00 0.00 61.98 59.66 2o2p s VAL 670 Cb -0.28 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2o2p s VAL 670 CO 0.33 -0.12 -0.21 -0.44 -3.33 0.00 0.00 175.10 171.33 2o2p s SER 671 N -0.38 2.55 -0.03 3.54 0.01 -0.60 -4.95 113.70 113.83 2o2p s SER 671 Ca -0.05 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.61 2o2p s SER 671 Cb -0.03 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.04 2o2p s SER 671 CO 0.01 0.11 -0.03 -0.76 0.41 0.00 0.00 173.24 172.97 2o2p s LEU 672 N -1.57 1.37 -0.20 2.44 1.43 -0.79 -1.46 118.68 119.90 2o2p s LEU 672 Ca 0.07 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2o2p s LEU 672 Cb -0.09 -0.37 0.05 0.00 0.03 0.00 0.00 46.19 45.81 2o2p s LEU 672 CO 0.03 -0.05 -0.07 -0.70 0.23 0.00 0.00 176.35 175.80 2o2p s GLU 673 N 0.81 1.66 -0.22 1.70 -6.30 -0.28 -1.13 118.70 114.93 2o2p s GLU 673 Ca -0.10 -0.79 0.11 0.00 -2.50 0.00 0.00 54.97 51.69 2o2p s GLU 673 Cb -0.13 -2.36 0.43 0.00 0.00 0.00 0.00 34.13 32.08 2o2p s GLU 673 CO -0.00 -0.50 1.27 1.28 0.02 0.00 0.00 175.26 177.33 2o2p n LEU 674 N 4.75 3.03 0.00 2.70 4.77 0.28 -1.75 117.00 130.78 2o2p n LEU 674 Ca -0.13 -3.84 0.00 0.00 -0.03 0.00 0.00 56.01 52.02 2o2p n LEU 674 Cb 0.46 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2o2p n LEU 674 CO 0.18 1.34 0.00 0.61 -1.33 0.00 0.00 177.39 178.19 2o2p n GLY 675 N -1.13 -1.66 3.82 -0.72 0.00 -1.26 -4.37 105.19 99.86 2o2p n GLY 675 Ca 0.22 -1.27 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 2o2p n GLY 675 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2o2p s GLY 676 N -2.73 -0.04 -0.51 -0.02 0.00 -1.26 -4.51 107.32 98.25 2o2p s GLY 676 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 44.72 44.55 2o2p s GLY 676 CO 0.00 0.20 0.53 1.17 0.00 0.00 0.00 173.10 175.00 2o2p n LYS 677 N -0.50 1.20 -2.79 2.90 3.00 -1.26 -4.59 118.16 116.12 2o2p n LYS 677 Ca -0.05 -3.76 -0.42 0.00 -0.00 0.00 0.00 58.31 54.07 2o2p n LYS 677 Cb 0.60 -1.75 -0.03 0.00 0.00 0.00 0.00 35.03 33.85 2o2p n LYS 677 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2o2p s SER 678 N -1.24 7.15 0.16 3.14 0.01 -1.26 -4.72 113.70 116.93 2o2p s SER 678 Ca 0.34 1.41 -0.21 0.00 1.31 0.00 0.00 55.95 58.79 2o2p s SER 678 Cb 0.10 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 63.74 2o2p s SER 678 CO -0.12 -0.37 0.69 -2.16 0.41 0.00 0.00 173.24 171.70 2o2p s PRO 679 N 1.77 4.35 -0.18 12.44 0.04 -1.25 0.19 135.00 152.35 2o2p s PRO 679 Ca 0.45 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.42 2o2p s PRO 679 Cb -0.18 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.26 2o2p s PRO 679 CO 0.18 0.53 -0.17 -1.17 0.04 0.00 0.00 177.00 176.41 2o2p s LEU 680 N -1.42 2.18 -0.26 -3.56 2.96 0.24 -0.53 118.68 118.29 2o2p s LEU 680 Ca 0.36 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 2o2p s LEU 680 Cb -0.20 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2o2p s LEU 680 CO 0.22 -0.04 0.11 -0.63 -1.32 0.00 0.00 176.35 174.69 2o2p s ILE 681 N 1.32 4.65 -0.30 6.68 1.01 -0.09 -0.45 121.20 134.02 2o2p s ILE 681 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 2o2p s ILE 681 Cb -0.14 -3.19 0.05 0.00 0.01 0.00 0.00 42.46 39.18 2o2p s ILE 681 CO -0.11 0.31 0.00 -0.63 0.00 0.00 0.00 174.94 174.50 2o2p s ILE 682 N 1.66 3.06 0.39 2.92 1.01 0.75 -0.93 121.20 130.07 2o2p s ILE 682 Ca 0.07 -1.31 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 2o2p s ILE 682 Cb -0.15 -2.73 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 2o2p s ILE 682 CO 0.06 -0.07 0.77 -0.36 0.00 0.00 0.00 174.94 175.34 2o2p s PHE 683 N 1.28 3.45 0.56 3.97 0.08 -0.64 -1.58 117.98 125.10 2o2p s PHE 683 Ca -0.04 1.09 0.38 0.00 0.12 0.00 0.00 56.93 58.47 2o2p s PHE 683 Cb -0.19 -2.47 2.05 0.00 -0.57 0.00 0.00 43.02 41.84 2o2p s PHE 683 CO -0.01 -0.07 2.27 0.00 -0.10 0.00 0.00 175.22 177.30 2o2p h ALA 684 N 1.44 1.17 -0.43 5.36 0.00 -1.88 -1.70 119.26 123.22 2o2p h ALA 684 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2o2p h ALA 684 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2o2p h ALA 684 CO 0.64 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 2o2p n ASP 685 N -3.34 3.15 -4.75 0.00 5.68 -1.26 -4.91 116.55 111.10 2o2p n ASP 685 Ca -0.02 -2.24 -0.29 0.00 -0.50 0.00 0.00 54.79 51.74 2o2p n ASP 685 Cb 0.12 -0.44 0.14 0.00 -1.14 0.00 0.00 41.12 39.81 2o2p n ASP 685 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2o2p s ASP 687 N -3.84 6.36 0.08 0.00 3.68 -1.26 -4.87 116.67 116.81 2o2p s ASP 687 Ca 0.64 0.55 -0.21 0.00 2.13 0.00 0.00 52.55 55.67 2o2p s ASP 687 Cb -0.16 -2.54 -0.10 0.00 -1.45 0.00 0.00 42.92 38.66 2o2p s ASP 687 CO 0.55 -1.46 1.57 0.25 0.13 0.00 0.00 175.17 176.20 2o2p h LEU 688 N 12.18 0.26 -0.98 -1.34 5.85 -1.94 -0.13 115.31 129.20 2o2p h LEU 688 Ca -0.26 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 2o2p h LEU 688 Cb 1.09 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 2o2p h LEU 688 CO 1.13 0.42 0.12 0.78 -0.34 0.00 0.00 178.44 180.54 2o2p h ASN 689 N 0.09 0.80 -0.57 1.25 2.35 -2.00 0.14 115.58 117.65 2o2p h ASN 689 Ca 0.05 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 2o2p h ASN 689 Cb 0.26 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2o2p h ASN 689 CO 0.00 0.80 0.12 0.50 -1.65 0.00 0.00 177.43 177.19 2o2p h LYS 690 N 0.82 0.97 -0.54 0.81 3.64 -1.95 -2.01 116.57 118.32 2o2p h LYS 690 Ca 0.18 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2o2p h LYS 690 Cb 0.32 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2o2p h LYS 690 CO 0.00 0.89 0.08 0.00 -2.27 0.00 0.00 179.45 178.15 2o2p h ALA 691 N 1.20 1.12 -0.09 5.00 0.00 -0.16 0.30 119.26 126.62 2o2p h ALA 691 Ca 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2o2p h ALA 691 Cb 0.38 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2o2p h ALA 691 CO 0.01 0.58 0.04 0.28 0.00 0.00 0.00 179.25 180.15 2o2p h VAL 692 N 0.82 1.14 0.01 0.00 2.07 -0.81 0.27 116.25 119.75 2o2p h VAL 692 Ca 0.17 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2o2p h VAL 692 Cb 0.38 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2o2p h VAL 692 CO 0.01 0.12 -0.00 1.56 0.02 0.00 0.00 177.57 179.28 2o2p h GLN 693 N -0.00 -0.01 -0.02 1.57 1.08 -1.04 -0.81 115.11 115.88 2o2p h GLN 693 Ca 0.03 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.06 2o2p h GLN 693 Cb 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2o2p h GLN 693 CO -0.00 0.06 -0.78 0.52 -0.95 0.00 0.00 178.83 177.68 2o2p h MET 694 N -0.08 0.16 -0.52 1.46 2.86 -0.98 -1.89 114.93 115.94 2o2p h MET 694 Ca -0.00 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.45 2o2p h MET 694 Cb 0.07 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2o2p h MET 694 CO 0.00 0.86 0.17 0.78 1.06 0.00 0.00 176.91 179.78 2o2p h GLY 695 N 1.84 0.87 0.94 8.32 0.00 -0.38 0.47 103.07 115.12 2o2p h GLY 695 Ca -0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 2o2p h GLY 695 CO 0.11 0.47 0.15 -0.33 0.00 0.00 0.00 176.54 176.95 2o2p h MET 696 N 0.71 0.45 -0.90 4.80 2.07 -1.09 -2.76 114.93 118.22 2o2p h MET 696 Ca 0.17 -0.07 0.06 0.00 -2.07 0.00 0.00 59.70 57.79 2o2p h MET 696 Cb 0.26 -0.08 -0.06 0.00 -1.87 0.00 0.00 31.60 29.85 2o2p h MET 696 CO -0.01 0.42 0.57 1.03 1.07 0.00 0.00 176.91 179.99 2o2p h SER 697 N 0.37 0.90 -0.37 1.22 0.87 -1.13 0.20 113.55 115.61 2o2p h SER 697 Ca 0.11 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.77 2o2p h SER 697 Cb 0.12 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2o2p h SER 697 CO -0.01 0.58 0.26 0.77 -0.53 0.00 0.00 176.83 177.90 2o2p h SER 698 N 1.04 0.09 0.00 6.23 4.64 -0.61 -1.82 113.55 123.12 2o2p h SER 698 Ca 0.39 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 61.29 2o2p h SER 698 Cb 0.16 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 2o2p h SER 698 CO -0.17 0.06 -2.36 0.52 -0.87 0.00 0.00 176.83 174.01 2o2p n VAL 699 N -4.45 1.53 0.62 0.95 0.31 -0.91 -1.30 118.33 115.08 2o2p n VAL 699 Ca 0.06 -0.33 0.12 0.00 -0.01 0.00 0.00 64.34 64.18 2o2p n VAL 699 Cb 0.38 -1.92 0.27 0.00 -0.91 0.00 0.00 33.84 31.65 2o2p n VAL 699 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2o2p n PHE 700 N -4.28 0.64 -1.62 3.52 3.72 0.67 -3.58 117.46 116.53 2o2p n PHE 700 Ca -0.51 0.19 -0.47 0.00 -0.05 0.00 0.00 57.45 56.61 2o2p n PHE 700 Cb 0.85 -0.73 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 2o2p n PHE 700 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2o2p n PHE 701 N -2.11 1.73 -3.83 1.38 7.35 -0.69 -1.39 117.46 119.90 2o2p n PHE 701 Ca 0.04 0.55 -0.24 0.00 -0.76 0.00 0.00 57.45 57.04 2o2p n PHE 701 Cb 0.43 -2.38 0.01 0.00 0.35 0.00 0.00 39.48 37.89 2o2p n PHE 701 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2o2p n ASN 702 N 2.21 -1.34 -3.09 -2.13 5.15 -1.26 -1.21 115.26 113.59 2o2p n ASN 702 Ca 0.14 -0.89 -0.16 0.00 -0.60 0.00 0.00 54.58 53.07 2o2p n ASN 702 Cb 0.27 -3.65 -0.02 0.00 -0.53 0.00 0.00 39.78 35.86 2o2p n ASN 702 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2o2p n LYS 703 N -4.37 -2.60 -0.80 1.20 0.00 -0.49 -1.25 118.16 109.85 2o2p n LYS 703 Ca -0.25 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2o2p n LYS 703 Cb 0.66 -4.85 0.00 0.00 -0.00 0.00 0.00 35.03 30.84 2o2p n LYS 703 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2o2p n GLY 704 N -0.84 1.05 3.39 2.58 0.00 -0.35 -3.21 105.19 107.81 2o2p n GLY 704 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2o2p n GLY 704 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2o2p n GLU 705 N -2.00 3.36 -3.40 1.61 1.02 -0.38 -3.31 120.64 117.55 2o2p n GLU 705 Ca 0.00 -3.70 -0.02 0.00 -0.02 0.00 0.00 57.16 53.43 2o2p n GLU 705 Cb 0.00 -3.10 -0.04 0.00 -0.02 0.00 0.00 31.44 28.27 2o2p n GLU 705 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2o2p s ASN 706 N 2.81 -0.83 0.54 1.62 3.04 -1.26 -4.70 114.94 116.16 2o2p s ASN 706 Ca 0.44 0.95 0.27 0.00 0.04 0.00 0.00 52.86 54.56 2o2p s ASN 706 Cb 0.00 1.87 1.52 0.00 -1.54 0.00 0.00 41.25 43.10 2o2p s ASN 706 CO 0.01 -0.25 2.12 0.00 -3.04 0.00 0.00 177.10 175.94 2o2p n ILE 708 N -3.73 0.65 -1.53 0.00 -5.35 -1.26 -4.01 119.36 104.13 2o2p n ILE 708 Ca -0.02 -0.79 -0.45 0.00 -0.27 0.00 0.00 62.75 61.22 2o2p n ILE 708 Cb 0.20 0.74 -0.01 0.00 -1.74 0.00 0.00 39.64 38.82 2o2p n ILE 708 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2o2p n ALA 709 N 1.44 -0.91 -2.07 -1.28 0.00 -0.70 -4.83 120.51 112.16 2o2p n ALA 709 Ca 0.21 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.58 2o2p n ALA 709 Cb 0.58 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 2o2p n ALA 709 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o2p s ALA 710 N -1.12 3.30 -0.96 0.00 0.00 -0.42 -4.05 121.76 118.51 2o2p s ALA 710 Ca 0.61 0.56 0.24 0.00 0.00 0.00 0.00 51.96 53.36 2o2p s ALA 710 Cb -0.72 -3.85 0.23 0.00 0.00 0.00 0.00 23.12 18.78 2o2p s ALA 710 CO 0.59 -1.90 1.22 0.41 0.00 0.00 0.00 175.76 176.07 2o2p n GLY 711 N 4.63 -1.17 2.98 0.00 0.00 0.13 -4.61 105.19 107.15 2o2p n GLY 711 Ca 0.19 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 2o2p n GLY 711 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o2p s ARG 712 N -3.02 0.14 -0.21 1.61 0.52 -1.07 -4.59 118.95 112.32 2o2p s ARG 712 Ca 0.09 0.25 -0.05 0.00 -0.52 0.00 0.00 55.73 55.50 2o2p s ARG 712 Cb 0.17 -0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.60 2o2p s ARG 712 CO 0.76 -0.07 0.01 -0.51 0.02 0.00 0.00 175.30 175.51 2o2p s LEU 713 N 0.46 3.27 -0.28 2.53 1.02 0.14 -0.59 118.68 125.23 2o2p s LEU 713 Ca -0.03 -0.21 -0.11 0.00 0.02 0.00 0.00 54.13 53.80 2o2p s LEU 713 Cb -0.05 -1.84 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 2o2p s LEU 713 CO -0.02 0.04 0.18 -0.36 0.02 0.00 0.00 176.35 176.20 2o2p s PHE 714 N 1.15 3.20 -0.10 0.29 0.40 0.41 -0.29 117.98 123.04 2o2p s PHE 714 Ca 0.03 0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 2o2p s PHE 714 Cb -0.14 -2.36 0.00 0.00 0.51 0.00 0.00 43.02 41.02 2o2p s PHE 714 CO 0.02 -0.21 -0.22 0.08 0.70 0.00 0.00 175.22 175.59 2o2p s VAL 715 N 1.73 1.90 0.31 -0.44 1.01 0.28 -0.18 120.40 125.02 2o2p s VAL 715 Ca 0.07 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 2o2p s VAL 715 Cb -0.16 -1.66 -0.11 0.00 0.00 0.00 0.00 36.38 34.44 2o2p s VAL 715 CO 0.10 0.52 1.55 -0.70 0.00 0.00 0.00 175.10 176.57 2o2p s GLU 716 N 0.52 4.14 0.25 2.72 2.12 -0.62 -2.19 118.70 125.64 2o2p s GLU 716 Ca -0.15 2.54 -0.09 0.00 0.36 0.00 0.00 54.97 57.63 2o2p s GLU 716 Cb -0.17 -3.02 0.41 0.00 0.26 0.00 0.00 34.13 31.61 2o2p s GLU 716 CO 0.06 -0.58 1.59 1.49 -0.54 0.00 0.00 175.26 177.28 2o2p h GLU 717 N 4.37 0.02 0.00 4.30 4.57 -0.72 -1.76 114.58 125.37 2o2p h GLU 717 Ca -0.48 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 2o2p h GLU 717 Cb 1.22 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2o2p h GLU 717 CO 0.75 0.01 -0.04 0.66 -1.18 0.00 0.00 179.01 179.21 2o2p h SER 718 N 0.02 0.00 -0.01 1.04 4.64 -1.90 -2.41 113.55 114.93 2o2p h SER 718 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2o2p h SER 718 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2o2p h SER 718 CO -0.84 0.04 -0.08 2.30 -0.87 0.00 0.00 176.83 177.39 2o2p n ILE 719 N -3.28 0.00 0.02 0.95 -5.35 -0.72 -4.78 119.36 106.20 2o2p n ILE 719 Ca -0.01 -0.46 -0.10 0.00 -0.27 0.00 0.00 62.75 61.90 2o2p n ILE 719 Cb 0.21 1.20 -0.04 0.00 -1.74 0.00 0.00 39.64 39.28 2o2p n ILE 719 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 2o2p h HIS 720 N 1.89 -0.66 -0.59 4.28 2.76 -0.86 0.76 115.15 122.74 2o2p h HIS 720 Ca 0.00 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 2o2p h HIS 720 Cb 0.44 0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 2o2p h HIS 720 CO 0.00 -0.33 0.01 -0.91 -1.30 0.00 0.00 177.93 175.40 2o2p h ASN 721 N -0.33 1.01 -0.58 3.26 2.35 -1.86 -1.33 115.58 118.09 2o2p h ASN 721 Ca 0.09 -0.30 -0.10 0.00 -0.55 0.00 0.00 56.30 55.44 2o2p h ASN 721 Cb 0.46 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2o2p h ASN 721 CO -0.28 1.07 -0.01 -0.61 -1.65 0.00 0.00 177.43 175.94 2o2p h GLN 722 N 0.92 1.03 -0.13 0.81 4.15 -1.84 -1.53 115.11 118.52 2o2p h GLN 722 Ca 0.17 -0.34 0.03 0.00 0.77 0.00 0.00 58.65 59.28 2o2p h GLN 722 Cb 0.54 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 2o2p h GLN 722 CO 0.03 1.02 -0.07 0.35 -1.93 0.00 0.00 178.83 178.23 2o2p h PHE 723 N 0.92 -0.16 -0.59 3.99 3.04 -0.51 -1.30 116.94 122.33 2o2p h PHE 723 Ca 0.16 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 2o2p h PHE 723 Cb 0.57 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.14 2o2p h PHE 723 CO 0.04 -0.11 0.31 0.28 -2.02 0.00 0.00 178.31 176.81 2o2p h VAL 724 N -0.06 1.20 -0.45 1.41 2.07 -1.10 -0.38 116.25 118.93 2o2p h VAL 724 Ca 0.07 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.11 2o2p h VAL 724 Cb 0.17 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2o2p h VAL 724 CO -0.17 0.22 0.22 1.56 0.02 0.00 0.00 177.57 179.42 2o2p h GLN 725 N 0.79 0.43 -0.59 1.57 4.20 -1.09 -0.39 115.11 120.03 2o2p h GLN 725 Ca 0.20 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 2o2p h GLN 725 Cb 0.07 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2o2p h GLN 725 CO -0.03 0.29 -0.03 0.87 -0.67 0.00 0.00 178.83 179.26 2o2p h LYS 726 N 0.45 1.06 -0.32 1.46 1.57 -0.94 -1.46 116.57 118.39 2o2p h LYS 726 Ca 0.20 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2o2p h LYS 726 Cb 0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2o2p h LYS 726 CO -0.14 1.06 0.21 0.28 -0.57 0.00 0.00 179.45 180.29 2o2p h VAL 727 N 0.96 1.08 -0.42 0.50 2.07 -0.61 -1.83 116.25 118.00 2o2p h VAL 727 Ca 0.16 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2o2p h VAL 727 Cb 0.60 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2o2p h VAL 727 CO 0.04 0.08 0.27 0.58 0.02 0.00 0.00 177.57 178.56 2o2p h VAL 728 N 0.43 1.12 -0.78 2.57 2.07 -0.91 0.25 116.25 121.00 2o2p h VAL 728 Ca 0.12 -0.23 0.13 0.00 0.82 0.00 0.00 66.70 67.54 2o2p h VAL 728 Cb -0.05 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.15 2o2p h VAL 728 CO -0.03 0.11 0.37 -0.33 0.02 0.00 0.00 177.57 177.71 2o2p h GLU 729 N 0.56 0.54 0.08 1.57 5.08 -1.05 -2.11 114.58 119.25 2o2p h GLU 729 Ca 0.15 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.22 2o2p h GLU 729 Cb -0.05 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.09 2o2p h GLU 729 CO -0.03 0.36 -1.13 0.93 -1.00 0.00 0.00 179.01 178.14 2o2p h GLU 730 N 0.56 0.42 -0.84 2.33 4.39 -0.76 -3.25 114.58 117.43 2o2p h GLU 730 Ca 0.42 -0.56 0.06 0.00 0.34 0.00 0.00 59.36 59.62 2o2p h GLU 730 Cb 0.57 0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 29.34 2o2p h GLU 730 CO -0.35 1.22 0.52 0.28 -1.16 0.00 0.00 179.01 179.51 2o2p h VAL 731 N 0.19 1.05 0.00 3.13 2.07 -0.24 -1.93 116.25 120.52 2o2p h VAL 731 Ca -0.13 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2o2p h VAL 731 Cb 1.80 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2o2p h VAL 731 CO 0.20 0.17 -0.01 -0.33 0.02 0.00 0.00 177.57 177.62 2o2p h GLU 732 N 0.96 0.00 0.00 1.57 5.08 -1.42 -1.80 114.58 118.96 2o2p h GLU 732 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2o2p h GLU 732 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2o2p h GLU 732 CO -0.16 0.01 -0.39 1.63 -1.00 0.00 0.00 179.01 179.10 2o2p n LYS 733 N -3.37 0.05 -2.04 2.33 5.02 -0.73 -4.90 118.16 114.52 2o2p n LYS 733 Ca -0.03 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 2o2p n LYS 733 Cb 0.11 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 2o2p n LYS 733 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2o2p s MET 734 N -3.03 4.27 -0.44 1.97 -1.94 -0.68 -4.97 119.30 114.48 2o2p s MET 734 Ca 0.11 2.24 -0.19 0.00 -1.71 0.00 0.00 55.69 56.14 2o2p s MET 734 Cb 0.17 -3.18 0.03 0.00 2.01 0.00 0.00 34.83 33.86 2o2p s MET 734 CO 0.66 -0.50 0.57 0.21 -0.01 0.00 0.00 175.02 175.95 2o2p s LYS 735 N 0.77 3.19 0.01 2.03 2.47 -1.26 -4.97 119.74 121.98 2o2p s LYS 735 Ca 0.65 -0.59 -0.22 0.00 -1.56 0.00 0.00 55.97 54.25 2o2p s LYS 735 Cb -0.41 -3.98 -0.05 0.00 -1.46 0.00 0.00 37.83 31.93 2o2p s LYS 735 CO 0.34 -0.99 0.66 0.42 0.16 0.00 0.00 175.35 175.94 2o2p s ILE 736 N 2.54 4.84 -1.45 5.43 1.01 -1.26 -0.29 121.20 132.03 2o2p s ILE 736 Ca 0.18 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.22 2o2p s ILE 736 Cb -0.16 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2o2p s ILE 736 CO 0.16 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2o2p n GLY 737 N 2.43 -1.29 3.68 6.18 0.00 -0.88 -4.96 105.19 110.35 2o2p n GLY 737 Ca -0.05 -0.93 -0.46 0.00 0.00 0.00 0.00 46.02 44.58 2o2p n GLY 737 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2o2p n ASN 738 N 0.87 3.30 0.25 1.61 2.85 -1.26 -4.46 115.26 118.42 2o2p n ASN 738 Ca 0.00 1.05 0.17 0.00 -0.11 0.00 0.00 54.58 55.70 2o2p n ASN 738 Cb 0.00 -1.44 0.88 0.00 1.24 0.00 0.00 39.78 40.47 2o2p n ASN 738 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2o2p h PRO 739 N 6.83 0.00 0.00 1.20 0.13 -1.87 -1.76 132.00 136.52 2o2p h PRO 739 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2o2p h PRO 739 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2o2p h PRO 739 CO 0.91 0.00 -0.21 1.28 -0.23 0.00 0.00 178.00 179.75 2o2p n LEU 740 N -2.73 0.38 -4.70 1.56 4.77 -1.26 -0.55 117.00 114.48 2o2p n LEU 740 Ca -0.02 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.90 2o2p n LEU 740 Cb 0.10 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2o2p n LEU 740 CO 0.17 -0.01 0.64 -1.61 -1.33 0.00 0.00 177.39 175.25 2o2p s GLU 741 N -3.04 4.44 0.57 3.23 0.41 -0.66 -4.93 118.70 118.71 2o2p s GLU 741 Ca 0.11 1.22 0.28 0.00 -0.41 0.00 0.00 54.97 56.17 2o2p s GLU 741 Cb 0.16 -3.51 1.69 0.00 -1.78 0.00 0.00 34.13 30.70 2o2p s GLU 741 CO 0.61 -0.17 2.21 0.00 -0.49 0.00 0.00 175.26 177.42 2o2p h ARG 742 N 7.00 0.00 -0.00 1.61 2.47 -1.87 -1.62 114.38 121.96 2o2p h ARG 742 Ca -0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 2o2p h ARG 742 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 2o2p h ARG 742 CO 0.80 0.03 -0.19 -0.40 0.56 0.00 0.00 179.97 180.77 2o2p n ASP 743 N -3.90 0.42 -4.71 7.04 5.75 -1.26 -4.90 116.55 114.99 2o2p n ASP 743 Ca -0.03 -0.30 -0.42 0.00 -0.01 0.00 0.00 54.79 54.03 2o2p n ASP 743 Cb 0.11 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 2o2p n ASP 743 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2o2p s THR 744 N -2.71 2.90 -0.21 2.12 2.01 -0.61 -4.71 115.64 114.45 2o2p s THR 744 Ca 0.21 0.57 0.15 0.00 0.31 0.00 0.00 61.69 62.93 2o2p s THR 744 Cb 0.19 -3.37 -0.23 0.00 0.01 0.00 0.00 72.50 69.11 2o2p s THR 744 CO 0.54 0.03 0.01 0.59 -0.69 0.00 0.00 174.62 175.10 2o2p n ASN 745 N 4.49 0.49 -3.76 3.53 5.03 0.61 -4.96 115.26 120.70 2o2p n ASN 745 Ca 0.14 -0.03 -0.26 0.00 0.87 0.00 0.00 54.58 55.30 2o2p n ASN 745 Cb 0.40 0.73 -0.17 0.00 -1.02 0.00 0.00 39.78 39.72 2o2p n ASN 745 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 2o2p s HIS 746 N -2.48 0.94 0.77 3.10 5.04 -0.60 -4.93 115.29 117.14 2o2p s HIS 746 Ca -0.14 -0.63 -0.03 0.00 -1.54 0.00 0.00 55.06 52.72 2o2p s HIS 746 Cb 0.06 -0.97 0.16 0.00 0.04 0.00 0.00 32.58 31.87 2o2p s HIS 746 CO 0.77 -0.51 1.06 0.41 -2.34 0.00 0.00 174.74 174.12 2o2p n GLY 747 N 5.07 0.31 3.82 1.59 0.00 -1.26 -2.07 105.19 112.65 2o2p n GLY 747 Ca -0.09 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 2o2p n GLY 747 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2o2p s PRO 748 N -5.25 3.16 0.88 1.61 0.04 -1.26 -4.74 135.00 129.44 2o2p s PRO 748 Ca 0.68 1.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.64 2o2p s PRO 748 Cb -0.03 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.61 2o2p s PRO 748 CO 0.46 -0.92 1.12 -0.65 0.04 0.00 0.00 177.00 177.04 2o2p s GLN 749 N -4.66 1.36 0.17 4.56 -1.52 0.37 -4.72 119.66 115.22 2o2p s GLN 749 Ca 0.60 1.33 -0.11 0.00 -1.95 0.00 0.00 55.36 55.23 2o2p s GLN 749 Cb -0.14 -1.78 0.07 0.00 -0.22 0.00 0.00 33.01 30.94 2o2p s GLN 749 CO 0.47 -2.32 1.70 -0.97 -0.25 0.00 0.00 175.29 173.92 2o2p h ASN 750 N -1.63 0.88 -5.06 5.90 -0.73 -1.85 -3.44 115.58 109.65 2o2p h ASN 750 Ca -0.45 -0.21 -0.00 0.00 1.87 0.00 0.00 56.30 57.51 2o2p h ASN 750 Cb 1.26 -0.23 -0.09 0.00 0.27 0.00 0.00 38.32 39.53 2o2p h ASN 750 CO 0.46 0.86 0.09 -1.38 -0.37 0.00 0.00 177.43 177.10 2o2p s HIS 751 N -5.39 -0.18 0.14 0.67 -3.43 -1.26 -4.54 115.29 101.31 2o2p s HIS 751 Ca -0.13 -0.17 -0.15 0.00 -0.80 0.00 0.00 55.06 53.81 2o2p s HIS 751 Cb 0.13 0.48 0.01 0.00 -1.43 0.00 0.00 32.58 31.77 2o2p s HIS 751 CO 0.81 -0.98 1.69 1.49 -2.00 0.00 0.00 174.74 175.75 2o2p h GLU 752 N 2.13 0.67 -0.61 -0.38 4.81 -1.95 -2.15 114.58 117.09 2o2p h GLU 752 Ca -0.27 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 2o2p h GLU 752 Cb 1.27 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 2o2p h GLU 752 CO 0.34 0.62 0.41 0.00 -0.73 0.00 0.00 179.01 179.65 2o2p h ALA 753 N 1.02 1.63 -0.22 2.92 0.00 -1.99 -0.50 119.26 122.12 2o2p h ALA 753 Ca 0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2o2p h ALA 753 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2o2p h ALA 753 CO -0.01 0.31 -0.23 1.25 0.00 0.00 0.00 179.25 180.57 2o2p h HIS 754 N 0.76 0.66 -0.49 0.00 -0.00 -1.89 -1.97 115.15 112.22 2o2p h HIS 754 Ca 0.24 -0.20 0.09 0.00 -0.00 0.00 0.00 60.37 60.50 2o2p h HIS 754 Cb 0.02 -0.14 -0.07 0.00 -0.00 0.00 0.00 27.41 27.22 2o2p h HIS 754 CO -0.00 0.89 0.06 1.25 -0.00 0.00 0.00 177.93 180.13 2o2p h LEU 755 N 0.24 -0.08 -0.89 0.26 5.85 -0.74 -1.48 115.31 118.47 2o2p h LEU 755 Ca 0.03 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2o2p h LEU 755 Cb 0.78 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 2o2p h LEU 755 CO 0.06 -0.01 0.57 0.03 -0.34 0.00 0.00 178.44 178.74 2o2p h ARG 756 N 0.19 1.05 -0.80 1.25 3.08 -0.92 -1.56 114.38 116.67 2o2p h ARG 756 Ca 0.25 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 2o2p h ARG 756 Cb 0.35 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 2o2p h ARG 756 CO -0.36 0.70 0.35 0.87 -1.07 0.00 0.00 179.97 180.46 2o2p h LYS 757 N 1.09 1.18 -0.62 0.04 1.79 -0.65 -1.78 116.57 117.61 2o2p h LYS 757 Ca 0.36 -0.19 -0.08 0.00 -2.18 0.00 0.00 60.65 58.56 2o2p h LYS 757 Cb 0.05 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 2o2p h LYS 757 CO -0.13 0.93 0.06 -0.07 -1.08 0.00 0.00 179.45 179.15 2o2p h LEU 758 N 1.16 1.02 -0.14 2.94 3.38 -0.48 0.17 115.31 123.35 2o2p h LEU 758 Ca 0.27 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2o2p h LEU 758 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2o2p h LEU 758 CO -0.03 1.05 0.09 0.58 0.09 0.00 0.00 178.44 180.22 2o2p h VAL 759 N 0.95 1.05 -0.66 1.22 2.07 -1.09 -2.33 116.25 117.47 2o2p h VAL 759 Ca 0.18 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 2o2p h VAL 759 Cb 0.49 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2o2p h VAL 759 CO 0.02 0.05 0.25 -0.33 0.02 0.00 0.00 177.57 177.58 2o2p h GLU 760 N 0.18 0.97 -0.33 1.57 5.08 -1.02 -1.97 114.58 119.05 2o2p h GLU 760 Ca 0.05 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2o2p h GLU 760 Cb -0.00 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 2o2p h GLU 760 CO -0.01 0.80 0.06 -0.92 -1.00 0.00 0.00 179.01 177.94 2o2p h TYR 761 N 0.95 0.10 -0.15 4.33 5.03 -0.46 -1.55 116.97 125.22 2o2p h TYR 761 Ca 0.22 0.02 -0.16 0.00 2.58 0.00 0.00 58.73 61.39 2o2p h TYR 761 Cb 0.20 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 2o2p h TYR 761 CO 0.02 0.01 -0.59 0.00 -1.32 0.00 0.00 178.16 176.28 2o2p h GLN 763 N 0.36 0.57 -0.40 0.00 4.20 -1.13 -1.41 115.11 117.30 2o2p h GLN 763 Ca -0.00 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.54 2o2p h GLN 763 Cb 1.13 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2o2p h GLN 763 CO 0.11 0.38 -0.28 -0.09 -0.67 0.00 0.00 178.83 178.27 2o2p h ARG 764 N 0.59 0.90 -0.68 1.46 2.43 -0.97 -0.08 114.38 118.02 2o2p h ARG 764 Ca 0.31 -0.43 0.12 0.00 -0.81 0.00 0.00 59.98 59.17 2o2p h ARG 764 Cb 0.28 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.74 2o2p h ARG 764 CO -0.23 1.08 0.26 0.78 -1.51 0.00 0.00 179.97 180.35 2o2p h GLY 765 N 0.71 1.00 0.84 2.80 0.00 -0.85 -0.43 103.07 107.14 2o2p h GLY 765 Ca 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 2o2p h GLY 765 CO 0.08 -0.05 -0.17 -2.08 0.00 0.00 0.00 176.54 174.32 2o2p h VAL 766 N 0.43 1.32 -0.61 4.60 2.07 -1.06 -1.97 116.25 121.03 2o2p h VAL 766 Ca 0.36 -1.30 0.09 0.00 0.82 0.00 0.00 66.70 66.67 2o2p h VAL 766 Cb 0.49 1.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 2o2p h VAL 766 CO -0.35 0.40 0.25 0.50 0.02 0.00 0.00 177.57 178.38 2o2p h LYS 767 N 0.18 0.43 -0.01 1.57 3.64 -0.62 -2.11 116.57 119.66 2o2p h LYS 767 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2o2p h LYS 767 Cb 0.70 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2o2p h LYS 767 CO 0.04 0.29 0.00 -0.85 -2.27 0.00 0.00 179.45 176.66 2o2p n GLU 768 N -4.96 1.16 0.00 1.90 0.28 -0.20 -4.90 120.64 113.91 2o2p n GLU 768 Ca 0.09 -0.23 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 2o2p n GLU 768 Cb 0.26 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.65 2o2p n GLU 768 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2o2p n GLY 769 N 1.03 1.04 3.78 -1.84 0.00 -0.79 -5.03 105.19 103.38 2o2p n GLY 769 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 2o2p n GLY 769 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o2p s ALA 770 N -2.00 2.60 -0.32 4.61 0.00 -0.75 -4.96 121.76 120.94 2o2p s ALA 770 Ca 0.00 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 2o2p s ALA 770 Cb 0.00 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 2o2p s ALA 770 CO 0.00 -1.05 0.72 0.99 0.00 0.00 0.00 175.76 176.42 2o2p s THR 771 N -2.35 4.85 -0.44 0.00 2.01 0.11 -4.58 115.64 115.24 2o2p s THR 771 Ca 0.66 0.98 -0.25 0.00 0.31 0.00 0.00 61.69 63.39 2o2p s THR 771 Cb -0.19 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.25 2o2p s THR 771 CO 0.39 -0.24 0.92 -0.22 -0.69 0.00 0.00 174.62 174.78 2o2p s LEU 772 N 2.83 4.01 -0.08 4.42 2.96 -1.26 -0.33 118.68 131.22 2o2p s LEU 772 Ca 0.29 0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 54.32 2o2p s LEU 772 Cb -0.14 -3.21 -0.29 0.00 0.50 0.00 0.00 46.19 43.05 2o2p s LEU 772 CO 0.13 -0.99 0.57 0.58 -1.32 0.00 0.00 176.35 175.32 2o2p h VAL 773 N 6.01 0.90 -2.96 1.68 2.07 -1.03 -3.49 116.25 119.43 2o2p h VAL 773 Ca -0.24 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 64.81 2o2p h VAL 773 Cb 1.08 2.69 -0.13 0.00 -1.52 0.00 0.00 31.29 33.41 2o2p h VAL 773 CO 1.01 0.82 0.15 0.00 0.02 0.00 0.00 177.57 179.57 2o2p n GLY 775 N -0.17 1.09 0.55 0.00 0.00 -1.25 -1.71 105.19 103.69 2o2p n GLY 775 Ca -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2o2p n GLY 775 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o2p n GLY 776 N 0.00 0.59 3.30 -0.02 0.00 -1.25 -4.96 105.19 102.85 2o2p n GLY 776 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2o2p n GLY 776 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o2p s ASN 777 N -2.94 2.36 0.28 1.61 4.22 -1.26 -4.74 114.94 114.47 2o2p s ASN 777 Ca 0.00 -0.93 -0.30 0.00 -2.14 0.00 0.00 52.86 49.49 2o2p s ASN 777 Cb 0.00 -0.11 -0.11 0.00 1.28 0.00 0.00 41.25 42.31 2o2p s ASN 777 CO 0.00 -0.15 1.53 -1.58 -2.04 0.00 0.00 177.10 174.86 2o2p s GLN 778 N -3.20 4.18 0.17 3.55 0.74 -1.26 -1.16 119.66 122.67 2o2p s GLN 778 Ca 0.17 2.47 -0.30 0.00 0.05 0.00 0.00 55.36 57.74 2o2p s GLN 778 Cb -0.03 -3.06 -0.08 0.00 1.10 0.00 0.00 33.01 30.95 2o2p s GLN 778 CO 0.05 -0.55 1.28 0.08 -0.55 0.00 0.00 175.29 175.60 2o2p s VAL 779 N -0.02 3.41 -0.91 1.34 1.01 0.06 -4.83 120.40 120.46 2o2p s VAL 779 Ca 0.62 1.13 -0.24 0.00 0.00 0.00 0.00 61.98 63.48 2o2p s VAL 779 Cb -0.45 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2o2p s VAL 779 CO 0.46 0.15 1.87 -2.84 0.00 0.00 0.00 175.10 174.74 2o2p s PRO 780 N 0.15 2.71 0.01 2.72 0.02 -1.26 -4.73 135.00 134.62 2o2p s PRO 780 Ca 0.57 -0.39 -0.29 0.00 0.02 0.00 0.00 61.00 60.92 2o2p s PRO 780 Cb -0.35 -5.08 0.10 0.00 0.02 0.00 0.00 34.50 29.19 2o2p s PRO 780 CO 0.36 -3.19 0.99 -0.98 -0.33 0.00 0.00 177.00 173.85 2o2p s ARG 781 N 6.71 0.81 0.98 5.54 1.70 -1.26 -5.17 118.95 128.27 2o2p s ARG 781 Ca 0.66 -0.37 -0.11 0.00 -0.47 0.00 0.00 55.73 55.45 2o2p s ARG 781 Cb -0.06 0.33 0.18 0.00 -0.57 0.00 0.00 34.95 34.84 2o2p s ARG 781 CO -0.01 -0.36 1.11 -2.14 -1.08 0.00 0.00 175.30 172.81 2o2p s PRO 782 N -3.01 0.47 1.62 3.89 0.02 -1.26 -4.80 135.00 131.92 2o2p s PRO 782 Ca 0.08 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.46 2o2p s PRO 782 Cb -0.01 -1.68 0.00 0.00 0.02 0.00 0.00 34.50 32.84 2o2p s PRO 782 CO -0.05 -2.94 0.00 0.41 -0.33 0.00 0.00 177.00 174.09 2o2p n GLY 783 N 0.38 -1.60 2.84 0.52 0.00 -1.22 -4.62 105.19 101.49 2o2p n GLY 783 Ca 0.09 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.42 2o2p n GLY 783 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2o2p n PHE 784 N 0.00 3.61 -3.40 1.61 3.72 -0.01 -4.90 117.46 118.08 2o2p n PHE 784 Ca 0.00 -3.98 -0.38 0.00 -0.05 0.00 0.00 57.45 53.04 2o2p n PHE 784 Cb 0.00 -0.48 -0.06 0.00 -0.94 0.00 0.00 39.48 38.00 2o2p n PHE 784 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2o2p s PHE 785 N -3.33 3.77 -0.05 1.38 0.08 -1.26 -0.48 117.98 118.08 2o2p s PHE 785 Ca 0.48 1.12 0.04 0.00 0.12 0.00 0.00 56.93 58.69 2o2p s PHE 785 Cb 0.28 -2.38 -0.00 0.00 -0.57 0.00 0.00 43.02 40.35 2o2p s PHE 785 CO -0.13 0.62 -0.18 0.12 -0.10 0.00 0.00 175.22 175.55 2o2p s PHE 786 N -1.09 1.78 0.02 0.36 5.36 -1.26 -0.76 117.98 122.39 2o2p s PHE 786 Ca 0.26 -0.53 -0.30 0.00 -0.96 0.00 0.00 56.93 55.39 2o2p s PHE 786 Cb -0.18 -1.20 -0.06 0.00 -0.34 0.00 0.00 43.02 41.24 2o2p s PHE 786 CO 0.16 -0.19 1.39 -1.14 -1.46 0.00 0.00 175.22 173.98 2o2p s GLN 787 N 0.08 4.30 0.12 10.12 2.00 -0.31 -4.83 119.66 131.14 2o2p s GLN 787 Ca -0.05 1.98 -0.35 0.00 -2.00 0.00 0.00 55.36 54.94 2o2p s GLN 787 Cb -0.12 -3.50 -0.16 0.00 0.80 0.00 0.00 33.01 30.03 2o2p s GLN 787 CO 0.03 -0.54 1.40 -2.30 -0.50 0.00 0.00 175.29 173.38 2o2p n PRO 788 N 5.05 1.49 -5.09 1.67 -0.02 -1.26 -3.89 135.00 132.94 2o2p n PRO 788 Ca 0.13 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 2o2p n PRO 788 Cb 0.43 -2.21 -0.15 0.00 -0.02 0.00 0.00 33.50 31.56 2o2p n PRO 788 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2o2p s THR 789 N 0.54 2.08 -0.10 3.45 2.01 0.14 -3.93 115.64 119.84 2o2p s THR 789 Ca 0.81 -1.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 2o2p s THR 789 Cb -0.85 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 69.92 2o2p s THR 789 CO 0.45 0.46 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.08 2o2p s VAL 790 N -0.71 0.94 -0.08 3.82 1.01 -0.69 -0.34 120.40 124.35 2o2p s VAL 790 Ca 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2o2p s VAL 790 Cb -0.10 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2o2p s VAL 790 CO 0.01 0.35 -0.01 -0.36 0.00 0.00 0.00 175.10 175.09 2o2p s PHE 791 N 1.61 3.13 0.48 5.22 0.08 0.55 -0.30 117.98 128.76 2o2p s PHE 791 Ca 0.03 0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.27 2o2p s PHE 791 Cb -0.13 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2o2p s PHE 791 CO -0.06 0.45 0.07 0.95 -0.10 0.00 0.00 175.22 176.53 2o2p s THR 792 N -0.88 0.79 -1.46 0.64 -4.23 0.55 -0.93 115.64 110.12 2o2p s THR 792 Ca 0.13 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 2o2p s THR 792 Cb -0.11 -2.14 0.04 0.00 1.34 0.00 0.00 72.50 71.62 2o2p s THR 792 CO 0.02 0.00 0.74 0.47 -0.54 0.00 0.00 174.62 175.31 2o2p n ASP 793 N -1.38 -5.27 -4.70 3.99 10.43 -1.21 -0.71 116.55 117.71 2o2p n ASP 793 Ca -0.15 -0.45 -0.40 0.00 2.57 0.00 0.00 54.79 56.36 2o2p n ASP 793 Cb 0.66 -4.25 -0.04 0.00 1.84 0.00 0.00 41.12 39.33 2o2p n ASP 793 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2o2p s VAL 794 N -3.16 4.98 0.15 2.53 1.01 -1.10 -4.51 120.40 120.30 2o2p s VAL 794 Ca 0.45 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.99 2o2p s VAL 794 Cb -0.22 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2o2p s VAL 794 CO 0.55 0.16 0.17 -1.61 0.00 0.00 0.00 175.10 174.37 2o2p s GLU 795 N 1.35 3.02 0.52 2.72 0.41 -1.26 -4.51 118.70 120.96 2o2p s GLU 795 Ca 0.38 -0.79 0.18 0.00 -0.41 0.00 0.00 54.97 54.33 2o2p s GLU 795 Cb -0.17 -2.73 1.30 0.00 -1.78 0.00 0.00 34.13 30.75 2o2p s GLU 795 CO 0.16 0.50 2.11 -0.44 -0.49 0.00 0.00 175.26 177.10 2o2p h ASP 796 N 2.41 0.00 1.19 -0.19 3.45 -1.97 -2.21 116.42 119.10 2o2p h ASP 796 Ca -0.48 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.98 2o2p h ASP 796 Cb 1.20 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 2o2p h ASP 796 CO 0.65 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.32 2o2p n HIS 797 N -4.50 0.41 -2.29 4.55 1.44 -1.26 -4.75 115.22 108.83 2o2p n HIS 797 Ca 0.00 0.12 -0.37 0.00 -2.01 0.00 0.00 57.72 55.46 2o2p n HIS 797 Cb 0.22 -0.70 -0.01 0.00 0.12 0.00 0.00 29.99 29.62 2o2p n HIS 797 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 2o2p s MET 798 N -3.05 3.81 0.21 -1.40 -1.94 -0.83 -4.95 119.30 111.16 2o2p s MET 798 Ca 0.12 1.75 -0.10 0.00 -1.71 0.00 0.00 55.69 55.76 2o2p s MET 798 Cb 0.16 -2.43 0.31 0.00 2.01 0.00 0.00 34.83 34.87 2o2p s MET 798 CO 0.55 -0.50 1.69 -0.92 -0.01 0.00 0.00 175.02 175.83 2o2p h TYR 799 N 2.12 0.14 0.00 -0.03 5.03 -1.90 -0.56 116.97 121.77 2o2p h TYR 799 Ca -0.49 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.86 2o2p h TYR 799 Cb 1.24 0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.55 2o2p h TYR 799 CO 0.54 -0.07 0.00 0.44 -1.32 0.00 0.00 178.16 177.75 2o2p n ILE 800 N -5.17 0.86 0.76 1.81 -5.35 -1.26 -0.68 119.36 110.32 2o2p n ILE 800 Ca 0.09 0.21 0.13 0.00 -0.27 0.00 0.00 62.75 62.91 2o2p n ILE 800 Cb 0.34 -0.95 0.38 0.00 -1.74 0.00 0.00 39.64 37.68 2o2p n ILE 800 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2o2p n ALA 801 N -1.52 2.62 -0.02 -1.28 0.00 -0.23 -4.42 120.51 115.65 2o2p n ALA 801 Ca 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 2o2p n ALA 801 Cb 0.20 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 2o2p n ALA 801 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2o2p n LYS 802 N -1.94 1.35 -3.50 0.00 5.02 -0.22 -4.99 118.16 113.89 2o2p n LYS 802 Ca 0.05 0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 55.98 2o2p n LYS 802 Cb 0.40 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.25 2o2p n LYS 802 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2o2p s GLU 803 N -2.09 3.96 -0.12 1.97 0.41 0.14 -4.91 118.70 118.06 2o2p s GLU 803 Ca -0.05 0.37 -0.30 0.00 -0.41 0.00 0.00 54.97 54.59 2o2p s GLU 803 Cb 0.01 -3.25 -0.02 0.00 -1.78 0.00 0.00 34.13 29.09 2o2p s GLU 803 CO 0.12 0.62 1.22 -2.00 -0.49 0.00 0.00 175.26 174.73 2o2p s GLU 804 N -0.81 4.29 0.06 1.61 2.12 -1.26 -4.82 118.70 119.89 2o2p s GLU 804 Ca 0.23 1.65 -0.09 0.00 0.36 0.00 0.00 54.97 57.12 2o2p s GLU 804 Cb -0.16 -3.66 -0.29 0.00 0.26 0.00 0.00 34.13 30.27 2o2p s GLU 804 CO 0.12 -0.58 1.10 0.66 -0.54 0.00 0.00 175.26 176.02 2o2p h SER 805 N 7.82 0.62 -2.95 -1.70 4.64 -1.95 -3.48 113.55 116.55 2o2p h SER 805 Ca -0.30 -0.64 -0.39 0.00 -0.47 0.00 0.00 61.79 59.99 2o2p h SER 805 Cb 1.13 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 2o2p h SER 805 CO 0.93 1.49 -0.49 0.33 -0.87 0.00 0.00 176.83 178.22 2o2p n PHE 806 N -3.64 -0.98 -4.25 4.77 7.35 -1.26 -4.89 117.46 114.56 2o2p n PHE 806 Ca -0.12 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.39 2o2p n PHE 806 Cb 1.03 -3.75 -0.08 0.00 0.35 0.00 0.00 39.48 37.04 2o2p n PHE 806 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2o2p s GLY 807 N -2.10 2.21 -1.43 7.13 0.00 -1.21 -3.85 107.32 108.07 2o2p s GLY 807 Ca 0.00 -2.00 -0.11 0.00 0.00 0.00 0.00 44.72 42.61 2o2p s GLY 807 CO 0.00 -1.41 2.30 -1.55 0.00 0.00 0.00 173.10 172.44 2o2p n PRO 808 N -0.61 3.44 -3.83 2.90 -0.04 -1.20 -4.52 135.00 131.14 2o2p n PRO 808 Ca 0.07 -2.88 -0.30 0.00 -0.04 0.00 0.00 63.50 60.35 2o2p n PRO 808 Cb 0.62 -3.02 -0.15 0.00 -0.04 0.00 0.00 33.50 30.91 2o2p n PRO 808 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2o2p s ILE 809 N 1.70 1.17 -0.17 0.52 1.01 -1.26 -0.68 121.20 123.49 2o2p s ILE 809 Ca 0.50 -1.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.62 2o2p s ILE 809 Cb 0.14 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 2o2p s ILE 809 CO -0.06 -0.39 0.87 -0.32 0.00 0.00 0.00 174.94 175.05 2o2p s MET 810 N 1.52 4.30 -0.35 2.79 -2.45 0.54 -4.96 119.30 120.70 2o2p s MET 810 Ca 0.03 1.09 0.04 0.00 -1.25 0.00 0.00 55.69 55.60 2o2p s MET 810 Cb -0.18 -3.58 0.10 0.00 1.25 0.00 0.00 34.83 32.42 2o2p s MET 810 CO -0.14 -0.36 0.06 0.42 1.05 0.00 0.00 175.02 176.06 2o2p s ILE 811 N 2.25 2.28 -0.18 10.11 1.01 -1.26 -0.33 121.20 135.08 2o2p s ILE 811 Ca 0.40 -2.39 -0.07 0.00 0.00 0.00 0.00 60.65 58.59 2o2p s ILE 811 Cb -0.17 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2o2p s ILE 811 CO 0.12 -0.61 0.04 -0.63 0.00 0.00 0.00 174.94 173.86 2o2p s ILE 812 N 0.84 4.56 0.08 2.92 1.01 -0.10 -0.69 121.20 129.82 2o2p s ILE 812 Ca 0.11 -0.12 0.10 0.00 0.00 0.00 0.00 60.65 60.74 2o2p s ILE 812 Cb -0.19 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2o2p s ILE 812 CO -0.08 0.47 -0.26 -0.44 0.00 0.00 0.00 174.94 174.63 2o2p s SER 813 N 0.40 3.10 0.43 3.58 0.01 0.61 -2.71 113.70 119.11 2o2p s SER 813 Ca 0.01 -0.65 -0.11 0.00 1.31 0.00 0.00 55.95 56.51 2o2p s SER 813 Cb -0.13 -0.24 -0.07 0.00 0.21 0.00 0.00 66.02 65.79 2o2p s SER 813 CO 0.01 0.20 0.81 -0.13 0.41 0.00 0.00 173.24 174.54 2o2p s ARG 814 N -1.58 3.80 0.05 12.44 0.52 -1.26 -0.56 118.95 132.36 2o2p s ARG 814 Ca 0.12 0.55 0.02 0.00 -0.52 0.00 0.00 55.73 55.89 2o2p s ARG 814 Cb -0.10 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 2o2p s ARG 814 CO 0.04 -0.09 -0.07 -0.59 0.02 0.00 0.00 175.30 174.61 2o2p s PHE 815 N -2.44 0.69 0.38 -0.53 -0.71 -0.93 -4.79 117.98 109.66 2o2p s PHE 815 Ca 0.52 -0.60 -0.27 0.00 -1.04 0.00 0.00 56.93 55.55 2o2p s PHE 815 Cb -0.10 -0.41 -0.09 0.00 -1.21 0.00 0.00 43.02 41.20 2o2p s PHE 815 CO 0.32 -0.11 1.28 0.00 -1.34 0.00 0.00 175.22 175.37 2o2p s ALA 816 N -1.88 3.31 0.02 1.99 0.00 -1.26 -0.00 121.76 123.94 2o2p s ALA 816 Ca -0.06 1.20 -0.36 0.00 0.00 0.00 0.00 51.96 52.74 2o2p s ALA 816 Cb -0.07 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.43 2o2p s ALA 816 CO -0.01 -0.73 1.52 -0.25 0.00 0.00 0.00 175.76 176.30 2o2p n ASP 817 N 0.31 2.30 0.00 0.00 8.00 -1.26 -1.87 116.55 124.03 2o2p n ASP 817 Ca 0.03 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.62 2o2p n ASP 817 Cb 0.44 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 2o2p n ASP 817 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2o2p n GLY 818 N 3.23 0.53 2.68 0.44 0.00 -1.26 -4.99 105.19 105.82 2o2p n GLY 818 Ca 0.20 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2o2p n GLY 818 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2o2p n ASP 819 N 0.16 7.41 0.46 1.61 4.64 -0.78 -4.88 116.55 125.17 2o2p n ASP 819 Ca 0.00 -3.70 -0.20 0.00 -1.38 0.00 0.00 54.79 49.52 2o2p n ASP 819 Cb 0.00 -1.16 -0.10 0.00 -1.04 0.00 0.00 41.12 38.83 2o2p n ASP 819 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 2o2p h VAL 820 N 2.18 0.15 -0.72 5.18 2.07 -1.94 -1.62 116.25 121.55 2o2p h VAL 820 Ca 0.55 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 68.05 2o2p h VAL 820 Cb 0.27 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2o2p h VAL 820 CO 1.23 0.00 0.41 0.44 0.02 0.00 0.00 177.57 179.67 2o2p h ASP 821 N -1.17 0.88 -0.59 0.57 3.32 -1.99 -1.59 116.42 115.85 2o2p h ASP 821 Ca -0.12 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 2o2p h ASP 821 Cb 0.89 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 2o2p h ASP 821 CO 0.20 0.70 0.22 0.00 -1.72 0.00 0.00 179.24 178.64 2o2p h ALA 822 N 1.45 0.76 -0.11 3.45 0.00 -1.93 -1.59 119.26 121.29 2o2p h ALA 822 Ca 0.26 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2o2p h ALA 822 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2o2p h ALA 822 CO -0.04 0.39 -0.63 -0.24 0.00 0.00 0.00 179.25 178.72 2o2p h VAL 823 N 0.81 1.36 -0.71 0.00 3.04 -1.06 -2.74 116.25 116.94 2o2p h VAL 823 Ca 0.19 -1.97 0.04 0.00 -1.01 0.00 0.00 66.70 63.95 2o2p h VAL 823 Cb 0.22 1.96 -0.05 0.00 -2.01 0.00 0.00 31.29 31.42 2o2p h VAL 823 CO -0.01 0.60 0.44 -0.07 -1.01 0.00 0.00 177.57 177.51 2o2p h LEU 824 N 0.31 0.70 -0.40 3.16 3.38 -1.11 0.25 115.31 121.59 2o2p h LEU 824 Ca -0.01 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2o2p h LEU 824 Cb 1.18 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2o2p h LEU 824 CO 0.11 0.47 0.23 0.28 0.09 0.00 0.00 178.44 179.62 2o2p h SER 825 N 0.83 0.36 -0.69 -0.43 0.02 -1.10 -0.06 113.55 112.49 2o2p h SER 825 Ca 0.30 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 2o2p h SER 825 Cb 0.08 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 2o2p h SER 825 CO -0.13 0.26 0.19 0.03 -1.14 0.00 0.00 176.83 176.04 2o2p h ARG 826 N 0.46 1.09 -0.39 3.45 3.08 -1.18 -2.07 114.38 118.81 2o2p h ARG 826 Ca 0.16 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2o2p h ARG 826 Cb 0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2o2p h ARG 826 CO -0.09 0.95 0.05 0.00 -1.07 0.00 0.00 179.97 179.81 2o2p h ALA 827 N 1.09 1.36 -0.01 0.04 0.00 -0.45 -2.82 119.26 118.47 2o2p h ALA 827 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2o2p h ALA 827 Cb 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2o2p h ALA 827 CO -0.00 0.45 -0.10 0.09 0.00 0.00 0.00 179.25 179.69 2o2p n ASN 828 N -4.29 1.06 -1.66 0.00 3.02 -0.08 -4.42 115.26 108.88 2o2p n ASN 828 Ca 0.02 -1.11 -0.07 0.00 -0.03 0.00 0.00 54.58 53.39 2o2p n ASN 828 Cb 0.23 0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 2o2p n ASN 828 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2o2p n ALA 829 N -0.37 4.46 -2.43 5.41 0.00 -0.80 -4.79 120.51 122.00 2o2p n ALA 829 Ca 0.16 -0.69 -0.27 0.00 0.00 0.00 0.00 53.44 52.65 2o2p n ALA 829 Cb 0.32 -1.15 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 2o2p n ALA 829 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2o2p s THR 830 N -0.95 2.21 -1.57 0.00 -1.32 -1.26 -5.02 115.64 107.72 2o2p s THR 830 Ca 0.13 -1.89 0.30 0.00 -1.21 0.00 0.00 61.69 59.02 2o2p s THR 830 Cb 0.10 -2.00 0.54 0.00 -1.51 0.00 0.00 72.50 69.63 2o2p s THR 830 CO -0.00 -0.06 2.00 -0.62 -2.21 0.00 0.00 174.62 173.73 2o2p n GLU 831 N 0.56 0.59 -2.12 7.08 -0.58 -1.26 -4.83 120.64 120.07 2o2p n GLU 831 Ca -0.15 -0.09 -0.27 0.00 -0.42 0.00 0.00 57.16 56.23 2o2p n GLU 831 Cb 0.55 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.98 2o2p n GLU 831 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2o2p s PHE 832 N -2.47 3.06 -0.31 -0.32 0.08 -1.26 -0.24 117.98 116.51 2o2p s PHE 832 Ca 0.31 0.65 0.07 0.00 0.12 0.00 0.00 56.93 58.07 2o2p s PHE 832 Cb 0.20 -3.15 0.25 0.00 -0.57 0.00 0.00 43.02 39.75 2o2p s PHE 832 CO 0.46 -1.34 1.20 0.41 -0.10 0.00 0.00 175.22 175.84 2o2p n GLY 833 N -2.96 0.59 0.08 4.36 0.00 -1.21 -4.78 105.19 101.28 2o2p n GLY 833 Ca 0.07 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2o2p n GLY 833 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2o2p h LEU 834 N 1.24 0.00 -8.71 0.99 5.85 -1.81 -0.22 115.31 112.66 2o2p h LEU 834 Ca -0.37 -0.37 -0.37 0.00 0.84 0.00 0.00 57.88 57.62 2o2p h LEU 834 Cb 1.24 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.16 2o2p h LEU 834 CO -0.13 1.10 -0.36 0.00 -0.34 0.00 0.00 178.44 178.71 2o2p s ALA 835 N -2.48 1.31 -0.07 1.25 0.00 -1.26 -2.11 121.76 118.41 2o2p s ALA 835 Ca -0.20 -1.79 -0.32 0.00 0.00 0.00 0.00 51.96 49.64 2o2p s ALA 835 Cb 0.03 1.33 0.13 0.00 0.00 0.00 0.00 23.12 24.60 2o2p s ALA 835 CO 0.43 -0.72 1.24 -1.54 0.00 0.00 0.00 175.76 175.18 2o2p s SER 836 N -3.30 -0.09 0.13 0.00 1.04 -0.55 -3.96 113.70 106.97 2o2p s SER 836 Ca 0.36 -0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.52 2o2p s SER 836 Cb 0.01 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.35 2o2p s SER 836 CO 0.23 -0.30 0.45 -0.83 0.98 0.00 0.00 173.24 173.77 2o2p s GLY 837 N -2.68 -0.35 -0.06 7.32 0.00 0.32 -0.85 107.32 111.01 2o2p s GLY 837 Ca 0.12 0.07 -0.03 0.00 0.00 0.00 0.00 44.72 44.88 2o2p s GLY 837 CO -0.04 -0.20 0.14 0.54 0.00 0.00 0.00 173.10 173.54 2o2p s VAL 838 N -3.79 -0.03 -0.23 1.40 0.11 -0.01 -0.91 120.40 116.94 2o2p s VAL 838 Ca 0.02 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 2o2p s VAL 838 Cb 0.01 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 34.65 2o2p s VAL 838 CO -0.12 0.05 -0.07 -0.36 -3.33 0.00 0.00 175.10 171.26 2o2p s PHE 839 N 0.76 2.97 -0.19 1.54 0.08 -0.11 -1.06 117.98 121.97 2o2p s PHE 839 Ca -0.06 -1.30 -0.28 0.00 0.12 0.00 0.00 56.93 55.42 2o2p s PHE 839 Cb -0.08 -2.06 0.10 0.00 -0.57 0.00 0.00 43.02 40.42 2o2p s PHE 839 CO -0.04 -0.66 0.90 -0.08 -0.10 0.00 0.00 175.22 175.24 2o2p s THR 840 N 1.39 0.00 -1.27 0.64 -1.32 -1.26 -1.61 115.64 112.20 2o2p s THR 840 Ca 0.03 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.80 2o2p s THR 840 Cb -0.15 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.12 2o2p s THR 840 CO -0.05 0.00 1.79 0.54 -2.21 0.00 0.00 174.62 174.69 2o2p n ARG 841 N 1.57 0.29 -2.86 7.08 1.74 -1.07 -4.84 116.66 118.56 2o2p n ARG 841 Ca -0.13 -0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.43 2o2p n ARG 841 Cb 0.57 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.46 2o2p n ARG 841 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2o2p s ASP 842 N -2.77 6.56 0.29 0.55 3.68 -1.26 -4.94 116.67 118.77 2o2p s ASP 842 Ca 0.20 0.29 -0.02 0.00 2.13 0.00 0.00 52.55 55.14 2o2p s ASP 842 Cb 0.19 -2.44 0.42 0.00 -1.45 0.00 0.00 42.92 39.64 2o2p s ASP 842 CO 0.54 -0.91 1.95 -0.29 0.13 0.00 0.00 175.17 176.60 2o2p h ILE 843 N 5.92 1.20 -0.39 4.11 2.10 -2.00 -0.89 117.51 127.56 2o2p h ILE 843 Ca -0.24 -0.40 -0.03 0.00 1.08 0.00 0.00 64.86 65.27 2o2p h ILE 843 Cb 1.08 -0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 36.73 2o2p h ILE 843 CO 0.98 0.21 0.11 0.78 -1.08 0.00 0.00 178.15 179.15 2o2p h ASN 844 N 1.16 0.58 -0.35 2.19 2.35 -2.00 -1.28 115.58 118.24 2o2p h ASN 844 Ca 0.33 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2o2p h ASN 844 Cb -0.09 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 2o2p h ASN 844 CO -0.08 0.65 0.11 0.11 -1.65 0.00 0.00 177.43 176.57 2o2p h LYS 845 N 0.49 0.54 -0.22 0.81 1.57 -1.91 -2.05 116.57 115.80 2o2p h LYS 845 Ca 0.12 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2o2p h LYS 845 Cb 0.28 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2o2p h LYS 845 CO -0.00 0.56 0.04 0.00 -0.57 0.00 0.00 179.45 179.48 2o2p h ALA 846 N 0.95 0.22 -0.38 3.86 0.00 -0.96 0.70 119.26 123.65 2o2p h ALA 846 Ca 0.11 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2o2p h ALA 846 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2o2p h ALA 846 CO -0.00 -0.39 -0.39 -0.07 0.00 0.00 0.00 179.25 178.40 2o2p h LEU 847 N 0.12 1.00 -0.17 0.00 3.38 -1.22 -1.39 115.31 117.04 2o2p h LEU 847 Ca 0.10 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2o2p h LEU 847 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2o2p h LEU 847 CO -0.14 1.27 0.04 0.22 0.09 0.00 0.00 178.44 179.91 2o2p h TYR 848 N 0.76 0.30 -0.75 1.13 3.20 -1.19 -1.93 116.97 118.49 2o2p h TYR 848 Ca 0.06 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2o2p h TYR 848 Cb 0.98 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 2o2p h TYR 848 CO 0.06 0.42 0.47 0.28 -1.64 0.00 0.00 178.16 177.75 2o2p h VAL 849 N 0.08 1.20 -0.24 1.81 2.07 -0.85 -1.75 116.25 118.58 2o2p h VAL 849 Ca 0.05 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 2o2p h VAL 849 Cb 0.28 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2o2p h VAL 849 CO 0.00 0.21 -0.13 0.77 0.02 0.00 0.00 177.57 178.44 2o2p h SER 850 N 1.02 0.38 -0.44 0.57 4.64 -1.11 -1.19 113.55 117.42 2o2p h SER 850 Ca 0.27 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 2o2p h SER 850 Cb -0.07 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 2o2p h SER 850 CO -0.05 0.54 0.25 0.44 -0.87 0.00 0.00 176.83 177.14 2o2p h ASP 851 N 0.37 0.54 1.46 4.97 3.32 -0.83 -3.30 116.42 122.95 2o2p h ASP 851 Ca 0.07 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2o2p h ASP 851 Cb 0.45 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2o2p h ASP 851 CO 0.03 0.45 -0.55 0.11 -1.72 0.00 0.00 179.24 177.56 2o2p h LYS 852 N 0.58 0.00 -6.48 3.56 1.79 -0.78 -3.45 116.57 111.78 2o2p h LYS 852 Ca 0.16 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.09 2o2p h LYS 852 Cb 0.02 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2o2p h LYS 852 CO -0.03 0.10 0.81 -0.51 -1.08 0.00 0.00 179.45 178.75 2o2p s LEU 853 N -5.92 4.35 -1.25 2.94 1.43 -0.50 -4.92 118.68 114.81 2o2p s LEU 853 Ca 0.03 2.31 -0.08 0.00 -1.03 0.00 0.00 54.13 55.36 2o2p s LEU 853 Cb 0.07 -3.58 0.19 0.00 0.03 0.00 0.00 46.19 42.91 2o2p s LEU 853 CO 0.74 -0.72 1.82 0.00 0.23 0.00 0.00 176.35 178.41 2o2p n GLN 854 N 4.64 3.79 -3.81 1.70 1.13 -1.26 -4.92 117.38 118.65 2o2p n GLN 854 Ca 0.13 -3.70 -0.12 0.00 -1.94 0.00 0.00 57.00 51.37 2o2p n GLN 854 Cb 0.42 -2.85 -0.09 0.00 0.11 0.00 0.00 30.24 27.84 2o2p n GLN 854 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2o2p s ALA 855 N -0.21 -0.55 0.29 -1.58 0.00 -1.26 -4.52 121.76 113.92 2o2p s ALA 855 Ca 0.38 0.03 0.20 0.00 0.00 0.00 0.00 51.96 52.57 2o2p s ALA 855 Cb 0.09 0.16 0.93 0.00 0.00 0.00 0.00 23.12 24.30 2o2p s ALA 855 CO 0.02 -0.29 1.86 0.78 0.00 0.00 0.00 175.76 178.13 2o2p h GLY 856 N 3.81 0.00 -5.62 0.00 0.00 -1.02 -3.42 103.07 96.83 2o2p h GLY 856 Ca -0.31 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.59 2o2p h GLY 856 CO 0.43 0.00 -0.79 -1.59 0.00 0.00 0.00 176.54 174.59 2o2p s THR 857 N -3.93 0.81 -0.17 4.70 2.01 -0.90 -4.75 115.64 113.42 2o2p s THR 857 Ca -0.01 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.63 2o2p s THR 857 Cb 0.12 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.93 2o2p s THR 857 CO 0.66 0.26 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.98 2o2p s VAL 858 N 0.29 1.88 -0.06 3.82 1.01 -1.26 -1.49 120.40 124.59 2o2p s VAL 858 Ca -0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 2o2p s VAL 858 Cb -0.10 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 2o2p s VAL 858 CO 0.01 0.51 0.35 -0.36 0.00 0.00 0.00 175.10 175.61 2o2p s PHE 859 N 1.34 3.63 -0.21 5.22 0.08 -0.03 -4.97 117.98 123.04 2o2p s PHE 859 Ca 0.04 0.83 0.02 0.00 0.12 0.00 0.00 56.93 57.94 2o2p s PHE 859 Cb -0.13 -2.28 0.04 0.00 -0.57 0.00 0.00 43.02 40.08 2o2p s PHE 859 CO -0.12 0.52 -0.14 0.42 -0.10 0.00 0.00 175.22 175.81 2o2p s ILE 860 N -0.57 1.96 -1.53 0.64 1.01 -1.26 -0.83 121.20 120.62 2o2p s ILE 860 Ca 0.21 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2o2p s ILE 860 Cb -0.15 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2o2p s ILE 860 CO 0.10 0.24 0.00 0.59 0.00 0.00 0.00 174.94 175.87 2o2p n ASN 861 N 4.58 -5.21 -3.22 3.58 3.02 -0.22 -4.93 115.26 112.87 2o2p n ASN 861 Ca -0.17 0.06 -0.08 0.00 -0.03 0.00 0.00 54.58 54.37 2o2p n ASN 861 Cb 0.46 -4.36 0.01 0.00 -0.61 0.00 0.00 39.78 35.29 2o2p n ASN 861 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2o2p s THR 862 N -2.89 0.00 0.03 3.41 -1.32 -1.26 -5.08 115.64 108.53 2o2p s THR 862 Ca 0.00 -0.96 -0.22 0.00 -1.21 0.00 0.00 61.69 59.30 2o2p s THR 862 Cb 0.00 -2.63 0.05 0.00 -1.51 0.00 0.00 72.50 68.40 2o2p s THR 862 CO 0.00 0.00 0.51 -0.47 -2.21 0.00 0.00 174.62 172.45 2o2p s TYR 863 N -2.72 -0.41 -1.27 9.09 5.04 -1.26 -4.75 117.35 121.07 2o2p s TYR 863 Ca 0.15 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.26 2o2p s TYR 863 Cb -0.05 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.57 2o2p s TYR 863 CO 0.10 -0.61 0.00 0.09 -1.34 0.00 0.00 175.55 173.78 2o2p n ASN 864 N 0.53 -4.86 -4.04 4.32 3.02 -1.26 -4.90 115.26 108.07 2o2p n ASN 864 Ca -0.19 0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 2o2p n ASN 864 Cb 0.60 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 2o2p n ASN 864 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2o2p n LYS 865 N -2.10 3.56 -2.26 3.52 3.00 -1.26 -4.97 118.16 117.65 2o2p n LYS 865 Ca -0.12 -3.63 -0.28 0.00 -0.00 0.00 0.00 58.31 54.28 2o2p n LYS 865 Cb 0.46 -2.95 0.03 0.00 0.00 0.00 0.00 35.03 32.57 2o2p n LYS 865 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2o2p s THR 866 N 0.68 3.90 -0.15 3.15 -4.23 -1.26 -5.10 115.64 112.63 2o2p s THR 866 Ca 0.40 0.22 -0.21 0.00 -1.18 0.00 0.00 61.69 60.92 2o2p s THR 866 Cb 0.06 -3.56 0.05 0.00 1.34 0.00 0.00 72.50 70.40 2o2p s THR 866 CO 0.01 -0.62 0.55 -0.62 -0.54 0.00 0.00 174.62 173.39 2o2p s ASP 867 N -4.28 -0.54 0.60 3.99 -1.08 -1.26 -5.04 116.67 109.07 2o2p s ASP 867 Ca 0.54 0.88 0.40 0.00 -0.52 0.00 0.00 52.55 53.85 2o2p s ASP 867 Cb -0.11 0.89 2.08 0.00 -1.46 0.00 0.00 42.92 44.32 2o2p s ASP 867 CO 0.47 -0.32 2.22 -0.37 0.52 0.00 0.00 175.17 177.69 2o2p h VAL 868 N 3.93 0.00 -0.00 1.11 -1.51 -1.94 -0.62 116.25 117.21 2o2p h VAL 868 Ca -0.28 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 2o2p h VAL 868 Cb 1.17 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 2o2p h VAL 868 CO 0.24 0.00 -0.50 0.00 -1.23 0.00 0.00 177.57 176.08 2o2p n ALA 869 N -2.04 3.57 -3.00 5.19 0.00 -1.26 -0.61 120.51 122.36 2o2p n ALA 869 Ca -0.02 -0.40 -0.38 0.00 0.00 0.00 0.00 53.44 52.65 2o2p n ALA 869 Cb 0.12 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 2o2p n ALA 869 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o2p s ALA 870 N -2.87 3.20 0.51 0.00 0.00 -0.24 -4.01 121.76 118.35 2o2p s ALA 870 Ca 0.14 -1.30 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 2o2p s ALA 870 Cb 0.18 -2.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.01 2o2p s ALA 870 CO 0.67 -0.75 1.36 -1.25 0.00 0.00 0.00 175.76 175.80 2o2p s PRO 871 N 1.59 3.34 -0.14 0.00 0.04 -1.26 -4.38 135.00 134.20 2o2p s PRO 871 Ca 0.05 2.25 -0.02 0.00 0.04 0.00 0.00 61.00 63.33 2o2p s PRO 871 Cb -0.16 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 32.04 2o2p s PRO 871 CO 0.05 -1.04 -0.00 0.12 0.04 0.00 0.00 177.00 176.17 2o2p s PHE 872 N -1.29 1.12 -0.12 0.56 5.36 0.92 -4.97 117.98 119.57 2o2p s PHE 872 Ca 0.68 -0.70 -0.33 0.00 -0.96 0.00 0.00 56.93 55.62 2o2p s PHE 872 Cb -0.40 -1.04 0.13 0.00 -0.34 0.00 0.00 43.02 41.36 2o2p s PHE 872 CO 0.49 -0.52 1.25 0.20 -1.46 0.00 0.00 175.22 175.18 2o2p s GLY 873 N 1.83 -0.34 0.39 13.12 0.00 -1.26 -0.82 107.32 120.23 2o2p s GLY 873 Ca 0.02 1.21 0.08 0.00 0.00 0.00 0.00 44.72 46.02 2o2p s GLY 873 CO -0.07 0.36 0.43 -0.32 0.00 0.00 0.00 173.10 173.50 2o2p s GLY 874 N -2.52 1.92 0.43 0.20 0.00 -1.26 -4.13 107.32 101.95 2o2p s GLY 874 Ca 0.12 -1.70 0.07 0.00 0.00 0.00 0.00 44.72 43.20 2o2p s GLY 874 CO -0.04 -1.56 0.25 -1.36 0.00 0.00 0.00 173.10 170.39 2o2p s PHE 875 N -2.35 2.50 0.00 1.90 0.08 -0.19 -4.11 117.98 115.81 2o2p s PHE 875 Ca 0.48 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.93 2o2p s PHE 875 Cb -0.07 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2o2p s PHE 875 CO 0.30 0.04 0.00 1.63 -0.10 0.00 0.00 175.22 177.09 2o2p n LYS 876 N -1.37 0.00 -0.05 0.44 5.02 -1.26 -1.57 118.16 119.37 2o2p n LYS 876 Ca -0.01 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.31 2o2p n LYS 876 Cb 0.64 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.74 2o2p n LYS 876 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2o2p n GLN 877 N 14.00 1.26 0.00 1.97 6.02 0.66 -2.48 117.38 138.81 2o2p n GLN 877 Ca 0.00 -0.40 0.14 0.00 -0.01 0.00 0.00 57.00 56.73 2o2p n GLN 877 Cb 0.00 -1.11 0.64 0.00 1.02 0.00 0.00 30.24 30.79 2o2p n GLN 877 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2o2p n SER 878 N -0.20 0.00 0.00 1.08 7.64 -0.61 -4.70 113.62 116.84 2o2p n SER 878 Ca 0.05 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2o2p n SER 878 Cb 0.10 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2o2p n SER 878 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2o2p n GLY 879 N 1.46 0.21 3.52 0.23 0.00 -1.04 -0.56 105.19 109.02 2o2p n GLY 879 Ca 0.08 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.07 2o2p n GLY 879 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2o2p s PHE 880 N 0.00 -0.37 0.00 1.61 -0.12 -0.29 -4.21 117.98 114.61 2o2p s PHE 880 Ca 0.00 0.18 0.00 0.00 -0.05 0.00 0.00 56.93 57.06 2o2p s PHE 880 Cb 0.00 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 2o2p s PHE 880 CO 0.00 -0.68 0.00 0.41 -0.05 0.00 0.00 175.22 174.90 2o2p n GLY 881 N -0.31 0.50 3.43 1.99 0.00 -1.26 -1.88 105.19 107.66 2o2p n GLY 881 Ca -0.10 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 2o2p n GLY 881 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o2p s LYS 882 N -3.71 2.31 0.13 1.61 -0.14 -1.26 -4.35 119.74 114.33 2o2p s LYS 882 Ca 0.00 -0.82 0.00 0.00 -1.36 0.00 0.00 55.97 53.80 2o2p s LYS 882 Cb 0.00 -2.24 -0.04 0.00 -1.68 0.00 0.00 37.83 33.87 2o2p s LYS 882 CO 0.00 0.59 0.29 -0.51 -0.76 0.00 0.00 175.35 174.96 2o2p s ASP 883 N -0.83 6.37 0.29 2.83 1.01 -0.00 -4.18 116.67 122.15 2o2p s ASP 883 Ca 0.12 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.66 2o2p s ASP 883 Cb -0.10 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.86 2o2p s ASP 883 CO 0.01 0.07 0.00 0.18 0.21 0.00 0.00 175.17 175.64 2o2p n LEU 884 N -0.27 -0.55 -0.64 1.23 4.77 -1.26 -0.05 117.00 120.22 2o2p n LEU 884 Ca -0.06 1.18 0.09 0.00 -0.03 0.00 0.00 56.01 57.19 2o2p n LEU 884 Cb 0.53 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.25 2o2p n LEU 884 CO 0.50 -0.89 -0.16 0.61 -1.33 0.00 0.00 177.39 176.11 2o2p n GLY 885 N -2.91 -1.91 0.37 -0.72 0.00 0.22 -3.08 105.19 97.16 2o2p n GLY 885 Ca -0.04 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.74 2o2p n GLY 885 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2o2p h GLU 886 N -0.61 0.82 -0.29 1.61 4.81 -1.88 -2.57 114.58 116.46 2o2p h GLU 886 Ca -0.01 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2o2p h GLU 886 Cb 0.60 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2o2p h GLU 886 CO 0.01 0.54 0.21 0.00 -0.73 0.00 0.00 179.01 179.04 2o2p h ALA 887 N 1.58 2.15 -0.24 2.92 0.00 -1.94 -1.46 119.26 122.27 2o2p h ALA 887 Ca 0.48 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.39 2o2p h ALA 887 Cb 0.63 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2o2p h ALA 887 CO -0.25 -0.22 0.16 0.00 0.00 0.00 0.00 179.25 178.94 2o2p h ALA 888 N 1.85 1.87 -0.34 0.00 0.00 -1.38 -2.73 119.26 118.53 2o2p h ALA 888 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2o2p h ALA 888 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2o2p h ALA 888 CO -0.01 0.11 0.04 -0.07 0.00 0.00 0.00 179.25 179.31 2o2p h LEU 889 N 0.29 0.46 -2.06 0.00 3.38 -1.42 -2.82 115.31 113.14 2o2p h LEU 889 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2o2p h LEU 889 Cb 0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2o2p h LEU 889 CO -0.02 0.51 -0.07 0.78 0.09 0.00 0.00 178.44 179.73 2o2p h ASN 890 N 0.49 0.00 0.98 -0.43 2.35 -1.63 -0.26 115.58 117.08 2o2p h ASN 890 Ca 0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2o2p h ASN 890 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 2o2p h ASN 890 CO 0.00 0.07 -0.00 -0.33 -1.65 0.00 0.00 177.43 175.52 2o2p h GLU 891 N 0.00 0.00 -0.16 0.81 4.39 -1.65 -3.15 114.58 114.82 2o2p h GLU 891 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2o2p h GLU 891 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2o2p h GLU 891 CO 0.01 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.52 2o2p n TYR 892 N -3.09 0.22 -4.38 4.33 4.01 -0.15 -5.00 117.16 113.09 2o2p n TYR 892 Ca 0.00 -0.44 -0.23 0.00 -0.16 0.00 0.00 57.90 57.07 2o2p n TYR 892 Cb 0.30 -0.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.18 2o2p n TYR 892 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2o2p s LEU 893 N -0.94 2.48 0.22 7.72 1.43 -0.94 -3.18 118.68 125.47 2o2p s LEU 893 Ca 0.12 -0.92 0.10 0.00 -1.03 0.00 0.00 54.13 52.40 2o2p s LEU 893 Cb 0.06 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 2o2p s LEU 893 CO 0.08 -0.01 -0.20 0.00 0.23 0.00 0.00 176.35 176.45 2o2p s ARG 894 N -3.04 1.49 -0.18 1.70 1.70 0.37 -4.81 118.95 116.18 2o2p s ARG 894 Ca 0.21 -1.59 -0.01 0.00 -0.47 0.00 0.00 55.73 53.87 2o2p s ARG 894 Cb -0.05 -1.60 0.00 0.00 -0.57 0.00 0.00 34.95 32.73 2o2p s ARG 894 CO 0.09 0.32 -0.13 0.42 -1.08 0.00 0.00 175.30 174.91 2o2p s ILE 895 N -2.21 2.71 -0.20 4.99 1.01 -1.26 -1.06 121.20 125.18 2o2p s ILE 895 Ca 0.23 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 2o2p s ILE 895 Cb -0.05 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 2o2p s ILE 895 CO 0.10 0.50 0.08 -0.75 0.00 0.00 0.00 174.94 174.87 2o2p s LYS 896 N 1.10 3.92 -0.17 2.79 2.20 0.22 -4.95 119.74 124.86 2o2p s LYS 896 Ca 0.00 -0.36 -0.16 0.00 -0.36 0.00 0.00 55.97 55.09 2o2p s LYS 896 Cb -0.14 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2o2p s LYS 896 CO -0.04 0.15 0.38 0.99 -0.36 0.00 0.00 175.35 176.46 2o2p s THR 897 N 0.73 5.23 -0.16 3.43 2.01 -1.26 -0.49 115.64 125.13 2o2p s THR 897 Ca 0.04 0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.76 2o2p s THR 897 Cb -0.13 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.68 2o2p s THR 897 CO 0.02 0.31 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.37 2o2p s VAL 898 N 0.88 2.08 -0.16 3.82 1.01 0.42 -5.00 120.40 123.45 2o2p s VAL 898 Ca 0.20 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2o2p s VAL 898 Cb -0.14 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.42 2o2p s VAL 898 CO 0.07 0.54 -0.12 -0.89 0.00 0.00 0.00 175.10 174.70 2o2p s THR 899 N 1.06 1.49 0.01 3.92 2.01 -1.26 -1.00 115.64 121.88 2o2p s THR 899 Ca -0.01 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 2o2p s THR 899 Cb -0.14 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 2o2p s THR 899 CO -0.07 0.35 0.16 -0.36 -0.69 0.00 0.00 174.62 174.01 2o2p s PHE 900 N 1.50 3.47 -0.07 4.92 0.40 0.77 -4.97 117.98 124.00 2o2p s PHE 900 Ca 0.03 0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.69 2o2p s PHE 900 Cb -0.14 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 2o2p s PHE 900 CO -0.10 0.61 -0.19 -2.00 0.70 0.00 0.00 175.22 174.24 2o2p s GLU 901 N -2.04 2.67 0.00 0.44 2.12 -1.26 -2.05 118.70 118.58 2o2p s GLU 901 Ca 0.28 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2o2p s GLU 901 Cb -0.13 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.95 2o2p s GLU 901 CO 0.20 0.44 0.00 2.48 -0.54 0.00 0.00 175.26 177.84