#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkp n ALA 405 N 0.00 -2.89 -1.15 -1.18 0.00 -1.26 -4.93 120.51 109.10 2wkp n ALA 405 Ca 0.00 -0.82 -0.33 0.00 0.00 0.00 0.00 53.44 52.30 2wkp n ALA 405 Cb 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 19.45 17.80 2wkp n ALA 405 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2wkp s THR 406 N -2.37 2.36 0.59 0.00 -1.32 -1.26 -5.01 115.64 108.62 2wkp s THR 406 Ca 0.58 0.15 -0.05 0.00 -1.21 0.00 0.00 61.69 61.16 2wkp s THR 406 Cb -0.19 -2.54 0.01 0.00 -1.51 0.00 0.00 72.50 68.27 2wkp s THR 406 CO 0.66 -0.12 0.88 0.42 -2.21 0.00 0.00 174.62 174.26 2wkp s THR 407 N -2.29 3.50 0.43 5.08 -4.23 -1.26 -4.41 115.64 112.45 2wkp s THR 407 Ca 0.70 -0.11 0.12 0.00 -1.18 0.00 0.00 61.69 61.22 2wkp s THR 407 Cb -0.26 -3.39 0.19 0.00 1.34 0.00 0.00 72.50 70.39 2wkp s THR 407 CO 0.50 -0.38 1.98 -0.07 -0.54 0.00 0.00 174.62 176.11 2wkp h LEU 408 N -0.15 0.14 -0.13 4.79 3.38 -1.96 -2.83 115.31 118.55 2wkp h LEU 408 Ca -0.45 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2wkp h LEU 408 Cb 1.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2wkp h LEU 408 CO 0.60 0.26 0.00 -1.84 0.09 0.00 0.00 178.44 177.55 2wkp n GLU 409 N -4.34 0.06 0.01 1.13 0.00 -1.26 -2.05 120.64 114.20 2wkp n GLU 409 Ca -0.01 0.22 0.12 0.00 0.00 0.00 0.00 57.16 57.49 2wkp n GLU 409 Cb 0.22 -1.60 0.32 0.00 0.00 0.00 0.00 31.44 30.38 2wkp n GLU 409 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2wkp n ARG 410 N -1.72 0.06 -2.69 3.44 1.74 -1.07 -4.66 116.66 111.77 2wkp n ARG 410 Ca 0.04 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 2wkp n ARG 410 Cb 0.25 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 2wkp n ARG 410 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wkp s ILE 411 N -3.03 4.03 -1.32 0.55 1.01 -0.87 -4.93 121.20 116.63 2wkp s ILE 411 Ca 0.11 0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.89 2wkp s ILE 411 Cb 0.17 -4.78 0.13 0.00 0.01 0.00 0.00 42.46 37.99 2wkp s ILE 411 CO 0.66 -1.59 2.22 -0.62 0.00 0.00 0.00 174.94 175.62 2wkp n GLU 412 N 8.51 4.20 -4.16 2.79 -0.58 -1.26 -4.87 120.64 125.27 2wkp n GLU 412 Ca 0.01 -3.43 -0.10 0.00 -0.42 0.00 0.00 57.16 53.22 2wkp n GLU 412 Cb 0.48 -2.75 -0.10 0.00 -0.57 0.00 0.00 31.44 28.50 2wkp n GLU 412 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wkp s LYS 413 N -0.44 0.86 -0.21 3.49 -0.14 -1.26 -5.01 119.74 117.03 2wkp s LYS 413 Ca 0.49 -1.37 -0.29 0.00 -1.36 0.00 0.00 55.97 53.44 2wkp s LYS 413 Cb 0.15 -0.00 0.00 0.00 -1.68 0.00 0.00 37.83 36.30 2wkp s LYS 413 CO -0.06 -0.13 1.12 -0.80 -0.76 0.00 0.00 175.35 174.73 2wkp s ASN 414 N -3.04 7.04 0.13 2.83 0.01 -1.26 -4.43 114.94 116.22 2wkp s ASN 414 Ca 0.16 1.48 -0.24 0.00 -0.71 0.00 0.00 52.86 53.55 2wkp s ASN 414 Cb 0.07 -2.54 0.07 0.00 0.41 0.00 0.00 41.25 39.26 2wkp s ASN 414 CO -0.03 -0.71 0.61 0.72 -1.51 0.00 0.00 177.10 176.19 2wkp s PHE 415 N 3.32 -0.55 0.13 2.20 -0.71 -1.26 -2.09 117.98 119.02 2wkp s PHE 415 Ca 0.48 0.42 0.04 0.00 -1.04 0.00 0.00 56.93 56.83 2wkp s PHE 415 Cb -0.17 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 2wkp s PHE 415 CO 0.09 -0.82 -0.10 0.14 -1.34 0.00 0.00 175.22 173.19 2wkp s VAL 416 N -3.45 1.09 -0.07 -2.49 -7.23 -0.52 -1.50 120.40 106.24 2wkp s VAL 416 Ca -0.00 -1.90 0.05 0.00 -1.81 0.00 0.00 61.98 58.32 2wkp s VAL 416 Cb -0.01 -1.66 -0.00 0.00 0.56 0.00 0.00 36.38 35.26 2wkp s VAL 416 CO -0.10 -0.67 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.18 2wkp s ILE 417 N -2.97 1.78 0.32 -0.62 1.01 -0.01 -1.33 121.20 119.37 2wkp s ILE 417 Ca 0.12 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 59.98 2wkp s ILE 417 Cb 0.00 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 2wkp s ILE 417 CO 0.00 0.50 -0.06 0.42 0.00 0.00 0.00 174.94 175.81 2wkp s THR 418 N 0.12 2.66 -0.38 2.92 -4.23 -0.23 -0.02 115.64 116.48 2wkp s THR 418 Ca -0.09 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.31 2wkp s THR 418 Cb -0.14 -2.67 0.10 0.00 1.34 0.00 0.00 72.50 71.13 2wkp s THR 418 CO 0.05 -0.27 0.14 -0.62 -0.54 0.00 0.00 174.62 173.37 2wkp s ASP 419 N -3.65 5.08 0.00 3.99 -1.08 -0.40 -2.08 116.67 118.53 2wkp s ASP 419 Ca 0.33 -1.98 0.23 0.00 -0.52 0.00 0.00 52.55 50.61 2wkp s ASP 419 Cb -0.02 -1.76 1.16 0.00 -1.46 0.00 0.00 42.92 40.84 2wkp s ASP 419 CO 0.18 -0.47 1.76 -0.81 0.52 0.00 0.00 175.17 176.36 2wkp n PRO 420 N 4.50 0.31 0.17 4.34 -0.04 -1.26 -2.36 135.00 140.66 2wkp n PRO 420 Ca -0.02 0.07 0.04 0.00 -0.04 0.00 0.00 63.50 63.55 2wkp n PRO 420 Cb 0.42 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.66 2wkp n PRO 420 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wkp h ARG 421 N 0.00 0.00 -6.91 0.54 3.08 -1.89 -3.44 114.38 105.76 2wkp h ARG 421 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 2wkp h ARG 421 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2wkp h ARG 421 CO 0.00 0.44 0.17 -0.51 -1.07 0.00 0.00 179.97 179.00 2wkp s LEU 422 N -7.14 3.81 0.11 3.04 1.43 -0.99 -4.85 118.68 114.07 2wkp s LEU 422 Ca -0.00 1.25 -0.34 0.00 -1.03 0.00 0.00 54.13 54.01 2wkp s LEU 422 Cb 0.11 -4.14 -0.13 0.00 0.03 0.00 0.00 46.19 42.06 2wkp s LEU 422 CO 0.71 -0.42 1.65 -2.65 0.23 0.00 0.00 176.35 175.86 2wkp n PRO 423 N -1.26 2.16 -1.23 1.29 -0.02 -1.26 -1.82 135.00 132.86 2wkp n PRO 423 Ca 0.03 0.78 -0.08 0.00 -2.02 0.00 0.00 63.50 62.22 2wkp n PRO 423 Cb 0.54 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 2wkp n PRO 423 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wkp n ASP 424 N 4.15 -4.35 -3.47 2.55 2.03 -1.26 -4.28 116.55 111.92 2wkp n ASP 424 Ca 0.18 0.20 -0.21 0.00 0.52 0.00 0.00 54.79 55.48 2wkp n ASP 424 Cb 0.29 -2.56 0.06 0.00 -0.72 0.00 0.00 41.12 38.19 2wkp n ASP 424 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2wkp n ASN 425 N 0.07 -5.00 -4.83 1.67 5.15 -0.75 -4.37 115.26 107.20 2wkp n ASN 425 Ca -0.08 -0.82 -0.32 0.00 -0.60 0.00 0.00 54.58 52.76 2wkp n ASN 425 Cb 0.33 -4.45 0.01 0.00 -0.53 0.00 0.00 39.78 35.14 2wkp n ASN 425 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wkp s PRO 426 N -5.22 3.42 0.07 1.20 0.04 -1.25 -4.55 135.00 128.71 2wkp s PRO 426 Ca 0.36 1.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.10 2wkp s PRO 426 Cb -0.08 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 2wkp s PRO 426 CO 0.79 -0.72 1.56 0.42 0.04 0.00 0.00 177.00 179.09 2wkp s ILE 427 N -2.75 3.14 -0.52 0.56 1.01 -0.15 -1.28 121.20 121.21 2wkp s ILE 427 Ca 0.60 0.65 0.08 0.00 0.00 0.00 0.00 60.65 61.98 2wkp s ILE 427 Cb -0.13 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2wkp s ILE 427 CO 0.43 0.01 0.42 2.30 0.00 0.00 0.00 174.94 178.10 2wkp n ILE 428 N 4.53 0.00 -3.68 2.92 -6.64 0.97 -0.61 119.36 116.85 2wkp n ILE 428 Ca 0.15 -0.36 -0.12 0.00 -1.77 0.00 0.00 62.75 60.64 2wkp n ILE 428 Cb 0.41 1.04 -0.09 0.00 -1.44 0.00 0.00 39.64 39.56 2wkp n ILE 428 CO 0.00 0.00 0.00 0.12 -1.77 0.00 0.00 176.55 174.90 2wkp s PHE 429 N -1.50 -0.68 -0.03 4.28 5.36 -0.99 -4.78 117.98 119.64 2wkp s PHE 429 Ca 0.04 1.56 0.01 0.00 -0.96 0.00 0.00 56.93 57.59 2wkp s PHE 429 Cb 0.06 0.28 0.02 0.00 -0.34 0.00 0.00 43.02 43.04 2wkp s PHE 429 CO 0.27 -0.34 -0.04 0.00 -1.46 0.00 0.00 175.22 173.65 2wkp s ALA 430 N 0.68 0.58 0.62 11.12 0.00 -1.26 -0.83 121.76 132.66 2wkp s ALA 430 Ca -0.03 -0.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.71 2wkp s ALA 430 Cb -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 2wkp s ALA 430 CO -0.05 0.02 1.08 -1.54 0.00 0.00 0.00 175.76 175.27 2wkp s SER 431 N 0.66 5.50 0.29 0.00 1.04 -0.56 -4.90 113.70 115.74 2wkp s SER 431 Ca -0.08 1.89 0.02 0.00 0.48 0.00 0.00 55.95 58.26 2wkp s SER 431 Cb -0.12 -2.54 0.59 0.00 0.10 0.00 0.00 66.02 64.05 2wkp s SER 431 CO -0.00 -1.36 1.84 0.44 0.98 0.00 0.00 173.24 175.14 2wkp h ASP 432 N 0.27 0.89 -0.66 7.02 3.32 -1.91 -1.94 116.42 123.41 2wkp h ASP 432 Ca -0.47 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 2wkp h ASP 432 Cb 1.23 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 2wkp h ASP 432 CO 0.56 0.48 0.35 -1.28 -1.72 0.00 0.00 179.24 177.62 2wkp h SER 433 N 0.96 0.84 -0.71 6.45 0.87 -1.92 -0.72 113.55 119.33 2wkp h SER 433 Ca 0.49 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2wkp h SER 433 Cb 0.51 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 2wkp h SER 433 CO -0.25 0.71 0.47 0.15 -0.53 0.00 0.00 176.83 177.38 2wkp h PHE 434 N 0.91 0.88 -0.26 2.24 3.57 -1.59 0.13 116.94 122.83 2wkp h PHE 434 Ca 0.23 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.77 2wkp h PHE 434 Cb 0.07 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2wkp h PHE 434 CO -0.00 0.55 0.12 -0.07 -2.23 0.00 0.00 178.31 176.68 2wkp h LEU 435 N 0.95 0.18 -0.37 0.59 4.07 -0.81 -0.41 115.31 119.51 2wkp h LEU 435 Ca 0.26 0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.25 2wkp h LEU 435 Cb -0.11 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 2wkp h LEU 435 CO -0.06 0.14 0.21 1.56 -1.08 0.00 0.00 178.44 179.21 2wkp h GLN 436 N 0.26 0.42 -0.08 1.13 4.20 -0.70 0.17 115.11 120.51 2wkp h GLN 436 Ca 0.11 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.80 2wkp h GLN 436 Cb 0.04 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2wkp h GLN 436 CO -0.08 0.28 0.01 1.25 -0.67 0.00 0.00 178.83 179.62 2wkp h LEU 437 N 0.43 -0.01 0.00 1.46 5.85 -0.52 -3.26 115.31 119.27 2wkp h LEU 437 Ca 0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2wkp h LEU 437 Cb 0.01 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2wkp h LEU 437 CO -0.07 0.01 -0.74 0.71 -0.34 0.00 0.00 178.44 178.01 2wkp h THR 438 N 0.04 0.00 0.00 1.05 1.35 -0.90 -3.46 112.91 110.99 2wkp h THR 438 Ca 0.03 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2wkp h THR 438 Cb 0.03 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2wkp h THR 438 CO -0.05 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.60 2wkp n GLU 439 N -2.49 -0.03 -3.19 4.72 1.02 0.59 -0.86 120.64 120.39 2wkp n GLU 439 Ca 0.02 0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 2wkp n GLU 439 Cb 0.50 -2.88 -0.03 0.00 -0.02 0.00 0.00 31.44 29.02 2wkp n GLU 439 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2wkp s TYR 440 N -2.60 3.49 0.61 -0.32 1.51 -1.20 -4.82 117.35 114.00 2wkp s TYR 440 Ca 0.00 0.69 -0.09 0.00 -1.01 0.00 0.00 57.07 56.65 2wkp s TYR 440 Cb 0.00 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2wkp s TYR 440 CO 0.00 0.07 0.98 -1.54 -1.11 0.00 0.00 175.55 173.95 2wkp s SER 441 N -3.38 6.00 0.18 2.29 1.04 -1.26 -4.72 113.70 113.86 2wkp s SER 441 Ca 0.45 1.18 -0.13 0.00 0.48 0.00 0.00 55.95 57.93 2wkp s SER 441 Cb -0.10 -2.23 0.09 0.00 0.10 0.00 0.00 66.02 63.88 2wkp s SER 441 CO 0.33 -0.93 1.84 -0.09 0.98 0.00 0.00 173.24 175.36 2wkp h ARG 442 N -0.27 0.79 -0.02 4.02 2.43 -1.98 -2.66 114.38 116.69 2wkp h ARG 442 Ca -0.45 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.55 2wkp h ARG 442 Cb 1.21 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 2wkp h ARG 442 CO 0.62 0.54 -0.50 0.93 -1.51 0.00 0.00 179.97 180.05 2wkp h GLU 443 N 0.80 0.06 -0.30 0.20 3.07 -1.93 -0.62 114.58 115.86 2wkp h GLU 443 Ca 0.22 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.01 2wkp h GLU 443 Cb -0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 2wkp h GLU 443 CO -0.04 0.54 0.04 0.93 -1.40 0.00 0.00 179.01 179.07 2wkp h GLU 444 N 0.05 0.44 0.00 2.33 5.08 -1.87 -3.31 114.58 117.30 2wkp h GLU 444 Ca -0.00 -0.08 -0.30 0.00 -1.00 0.00 0.00 59.36 57.98 2wkp h GLU 444 Cb 0.90 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 2wkp h GLU 444 CO 0.07 0.45 -2.14 0.44 -1.00 0.00 0.00 179.01 176.82 2wkp n ILE 445 N -4.33 1.14 -1.77 3.13 -5.35 -1.07 -4.80 119.36 106.32 2wkp n ILE 445 Ca 0.01 -0.64 -0.41 0.00 -0.27 0.00 0.00 62.75 61.45 2wkp n ILE 445 Cb 0.20 -0.73 0.01 0.00 -1.74 0.00 0.00 39.64 37.38 2wkp n ILE 445 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wkp n LEU 446 N -2.73 4.91 0.00 7.28 4.77 -0.26 -1.72 117.00 129.25 2wkp n LEU 446 Ca -0.29 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.86 2wkp n LEU 446 Cb 1.00 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2wkp n LEU 446 CO 0.31 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2wkp n GLY 447 N 0.53 0.91 3.43 -0.72 0.00 0.22 -4.59 105.19 104.97 2wkp n GLY 447 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2wkp n GLY 447 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkp s ARG 448 N -0.33 1.53 0.37 1.61 0.52 -0.70 -4.77 118.95 117.19 2wkp s ARG 448 Ca 0.00 -1.51 -0.27 0.00 -0.52 0.00 0.00 55.73 53.44 2wkp s ARG 448 Cb 0.00 -1.86 -0.09 0.00 0.52 0.00 0.00 34.95 33.52 2wkp s ARG 448 CO 0.00 0.40 1.20 1.21 0.02 0.00 0.00 175.30 178.14 2wkp s ASN 449 N -2.64 6.65 0.00 0.23 3.84 -1.26 -0.97 114.94 120.78 2wkp s ASN 449 Ca 0.21 2.44 0.10 0.00 0.21 0.00 0.00 52.86 55.82 2wkp s ASN 449 Cb -0.08 -2.63 0.47 0.00 -0.55 0.00 0.00 41.25 38.46 2wkp s ASN 449 CO 0.10 -0.60 1.26 0.00 -2.79 0.00 0.00 177.10 175.07 2wkp n ARG 451 N -1.38 0.15 0.32 0.00 1.85 -1.26 -2.12 116.66 114.22 2wkp n ARG 451 Ca 0.04 0.56 0.18 0.00 -1.00 0.00 0.00 57.85 57.63 2wkp n ARG 451 Cb 0.10 -1.92 0.97 0.00 -1.05 0.00 0.00 32.46 30.56 2wkp n ARG 451 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2wkp h PHE 452 N 0.00 0.00 0.00 2.89 -0.00 -1.99 -0.36 116.94 117.48 2wkp h PHE 452 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2wkp h PHE 452 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.07 2wkp h PHE 452 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 178.31 178.24 2wkp h LEU 453 N 0.00 0.00-10.31 2.10 3.38 -1.70 -3.46 115.31 105.32 2wkp h LEU 453 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2wkp h LEU 453 Cb 0.31 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.10 2wkp h LEU 453 CO 0.00 0.00 0.23 -1.10 0.09 0.00 0.00 178.44 177.66 2wkp s GLN 454 N -3.42 3.58 0.00 1.13 -0.21 -0.15 0.09 119.66 120.67 2wkp s GLN 454 Ca 0.04 0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.84 2wkp s GLN 454 Cb 0.09 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.84 2wkp s GLN 454 CO 0.47 -0.33 0.00 0.41 -2.12 0.00 0.00 175.29 173.72 2wkp n GLY 455 N -2.39 3.12 0.31 3.09 0.00 -1.26 -4.81 105.19 103.24 2wkp n GLY 455 Ca 0.03 -0.78 0.02 0.00 0.00 0.00 0.00 46.02 45.29 2wkp n GLY 455 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wkp h PRO 456 N 0.00 0.82 -0.01 1.61 0.11 -1.97 -1.85 132.00 130.70 2wkp h PRO 456 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2wkp h PRO 456 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.93 2wkp h PRO 456 CO 0.00 0.54 -0.19 0.39 -0.21 0.00 0.00 178.00 178.53 2wkp n GLU 457 N -4.71 0.73 -1.89 1.05 1.02 -1.26 -4.90 120.64 110.68 2wkp n GLU 457 Ca 0.13 -0.35 -0.42 0.00 -0.02 0.00 0.00 57.16 56.50 2wkp n GLU 457 Cb 0.25 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 2wkp n GLU 457 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2wkp s THR 458 N -2.52 2.50 -0.36 2.62 2.01 -0.70 -4.77 115.64 114.42 2wkp s THR 458 Ca 0.26 0.35 -0.29 0.00 0.31 0.00 0.00 61.69 62.32 2wkp s THR 458 Cb 0.20 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.48 2wkp s THR 458 CO 0.51 0.03 1.52 -0.62 -0.69 0.00 0.00 174.62 175.36 2wkp s ASP 459 N 1.20 6.26 0.48 3.53 -1.08 -1.26 -4.90 116.67 120.89 2wkp s ASP 459 Ca 0.71 1.05 0.16 0.00 -0.52 0.00 0.00 52.55 53.95 2wkp s ASP 459 Cb -0.45 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 39.61 2wkp s ASP 459 CO 0.31 -1.46 2.06 0.03 0.52 0.00 0.00 175.17 176.64 2wkp h ARG 460 N 11.13 0.00 -0.81 4.34 2.47 -1.97 -2.06 114.38 127.49 2wkp h ARG 460 Ca -0.30 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.40 2wkp h ARG 460 Cb 1.12 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.41 2wkp h ARG 460 CO 1.06 0.10 0.39 0.00 0.56 0.00 0.00 179.97 182.08 2wkp h ALA 461 N 1.90 1.17 -0.54 0.04 0.00 -1.99 -0.40 119.26 119.43 2wkp h ALA 461 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2wkp h ALA 461 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2wkp h ALA 461 CO 0.01 0.64 -0.09 1.15 0.00 0.00 0.00 179.25 180.96 2wkp h THR 462 N 1.15 1.27 -0.83 0.00 2.02 -1.78 -2.06 112.91 112.68 2wkp h THR 462 Ca 0.28 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.24 2wkp h THR 462 Cb 0.11 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 2wkp h THR 462 CO -0.04 0.44 0.54 0.58 0.37 0.00 0.00 175.52 177.42 2wkp h VAL 463 N 0.89 1.19 -0.35 3.16 2.07 -1.11 -2.23 116.25 119.86 2wkp h VAL 463 Ca 0.14 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2wkp h VAL 463 Cb 0.65 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2wkp h VAL 463 CO 0.05 0.20 0.20 0.03 0.02 0.00 0.00 177.57 178.06 2wkp h ARG 464 N 1.10 0.48 -0.75 1.57 3.08 -0.71 -1.52 114.38 117.62 2wkp h ARG 464 Ca 0.31 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 2wkp h ARG 464 Cb -0.08 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.83 2wkp h ARG 464 CO -0.08 0.35 0.39 0.87 -1.07 0.00 0.00 179.97 180.43 2wkp h LYS 465 N 0.49 1.05 -0.12 0.04 1.57 -0.78 0.14 116.57 118.97 2wkp h LYS 465 Ca 0.13 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2wkp h LYS 465 Cb 0.01 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 2wkp h LYS 465 CO -0.02 0.78 -0.05 0.82 -0.57 0.00 0.00 179.45 180.41 2wkp h ILE 466 N 1.05 1.31 -0.69 1.86 2.04 -1.08 -1.90 117.51 120.10 2wkp h ILE 466 Ca 0.26 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 65.10 2wkp h ILE 466 Cb 0.05 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 2wkp h ILE 466 CO -0.04 0.31 0.42 -0.09 0.00 0.00 0.00 178.15 178.74 2wkp h ARG 467 N -0.10 0.78 -0.84 2.37 2.43 -1.04 -0.90 114.38 117.09 2wkp h ARG 467 Ca 0.03 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2wkp h ARG 467 Cb 0.50 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 2wkp h ARG 467 CO 0.02 0.52 0.44 -0.44 -1.51 0.00 0.00 179.97 179.00 2wkp h ASP 468 N 0.80 1.05 -0.38 -3.80 3.32 -0.88 -0.79 116.42 115.74 2wkp h ASP 468 Ca 0.29 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 2wkp h ASP 468 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2wkp h ASP 468 CO -0.13 0.86 -0.16 0.00 -1.72 0.00 0.00 179.24 178.08 2wkp h ALA 469 N 1.31 0.54 -0.45 3.45 0.00 -0.57 -1.44 119.26 122.10 2wkp h ALA 469 Ca 0.29 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wkp h ALA 469 Cb 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2wkp h ALA 469 CO -0.04 0.46 0.26 0.82 0.00 0.00 0.00 179.25 180.74 2wkp h ILE 470 N 0.59 1.15 -0.44 0.00 2.04 -0.88 0.47 117.51 120.44 2wkp h ILE 470 Ca 0.09 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2wkp h ILE 470 Cb 0.70 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2wkp h ILE 470 CO 0.05 0.15 0.18 0.44 0.00 0.00 0.00 178.15 178.97 2wkp h ASP 471 N 0.59 0.56 -0.11 1.72 3.32 -0.99 -1.73 116.42 119.78 2wkp h ASP 471 Ca 0.16 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2wkp h ASP 471 Cb 0.02 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2wkp h ASP 471 CO -0.03 0.51 0.00 0.59 -1.72 0.00 0.00 179.24 178.59 2wkp n ASN 472 N -4.37 1.97 -3.74 6.45 4.13 -0.56 -4.95 115.26 114.19 2wkp n ASN 472 Ca 0.03 -1.70 -0.23 0.00 1.68 0.00 0.00 54.58 54.36 2wkp n ASN 472 Cb 0.14 -0.07 0.04 0.00 -1.54 0.00 0.00 39.78 38.35 2wkp n ASN 472 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wkp n GLN 473 N 0.52 -5.26 -4.34 3.52 6.02 0.02 -5.00 117.38 112.87 2wkp n GLN 473 Ca 0.17 0.63 -0.17 0.00 -0.01 0.00 0.00 57.00 57.62 2wkp n GLN 473 Cb 0.40 -5.31 -0.10 0.00 1.02 0.00 0.00 30.24 26.25 2wkp n GLN 473 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2wkp s THR 474 N -3.55 1.19 0.61 5.09 -4.23 -0.41 -4.85 115.64 109.49 2wkp s THR 474 Ca 0.19 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.53 2wkp s THR 474 Cb -0.09 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2wkp s THR 474 CO 0.81 -0.39 1.02 -1.83 -0.54 0.00 0.00 174.62 173.70 2wkp s GLU 475 N -3.81 3.61 0.01 3.99 -1.05 -1.26 -4.43 118.70 115.75 2wkp s GLU 475 Ca 0.27 0.74 -0.18 0.00 -0.15 0.00 0.00 54.97 55.64 2wkp s GLU 475 Cb 0.05 -2.09 0.03 0.00 -0.44 0.00 0.00 34.13 31.68 2wkp s GLU 475 CO 0.08 -0.55 0.40 0.54 0.95 0.00 0.00 175.26 176.68 2wkp s VAL 476 N -3.15 0.05 -0.06 1.83 0.11 -0.60 -4.98 120.40 113.60 2wkp s VAL 476 Ca 0.55 -0.42 -0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2wkp s VAL 476 Cb -0.11 -0.84 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 2wkp s VAL 476 CO 0.53 -0.23 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.15 2wkp s THR 477 N -1.90 0.49 0.22 5.04 2.01 -1.26 -0.63 115.64 119.61 2wkp s THR 477 Ca -0.09 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 2wkp s THR 477 Cb -0.02 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 2wkp s THR 477 CO 0.02 0.25 0.20 0.68 -0.69 0.00 0.00 174.62 175.08 2wkp s VAL 478 N 1.44 0.00 -0.06 3.82 -7.23 -0.18 -4.99 120.40 113.19 2wkp s VAL 478 Ca -0.03 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.29 2wkp s VAL 478 Cb -0.13 -2.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 2wkp s VAL 478 CO -0.03 0.00 -0.20 -1.10 -0.31 0.00 0.00 175.10 173.47 2wkp s GLN 479 N -4.08 2.23 0.12 4.82 -0.21 -1.26 -0.18 119.66 121.10 2wkp s GLN 479 Ca 0.36 -0.70 -0.15 0.00 0.02 0.00 0.00 55.36 54.89 2wkp s GLN 479 Cb 0.05 -1.83 0.03 0.00 1.00 0.00 0.00 33.01 32.26 2wkp s GLN 479 CO 0.12 0.22 0.37 -0.48 -2.12 0.00 0.00 175.29 173.40 2wkp s LEU 480 N 0.18 0.56 -0.02 2.90 2.34 -0.39 -4.96 118.68 119.29 2wkp s LEU 480 Ca -0.09 -0.36 -0.29 0.00 0.06 0.00 0.00 54.13 53.45 2wkp s LEU 480 Cb -0.14 1.71 -0.03 0.00 -0.56 0.00 0.00 46.19 47.17 2wkp s LEU 480 CO 0.04 -0.83 0.94 -0.63 -1.06 0.00 0.00 176.35 174.81 2wkp s ILE 481 N -3.76 4.89 0.42 1.48 1.01 -1.26 -0.50 121.20 123.48 2wkp s ILE 481 Ca 0.03 1.96 0.03 0.00 0.00 0.00 0.00 60.65 62.67 2wkp s ILE 481 Cb 0.02 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2wkp s ILE 481 CO -0.12 0.17 0.06 0.20 0.00 0.00 0.00 174.94 175.25 2wkp s ASN 482 N 0.98 3.20 0.01 3.58 0.02 0.44 -4.41 114.94 118.77 2wkp s ASN 482 Ca 0.49 -1.57 0.01 0.00 -1.02 0.00 0.00 52.86 50.78 2wkp s ASN 482 Cb -0.20 0.27 -0.01 0.00 0.02 0.00 0.00 41.25 41.33 2wkp s ASN 482 CO 0.26 -0.78 -0.04 -0.31 0.02 0.00 0.00 177.10 176.25 2wkp s TYR 483 N -3.08 0.35 0.95 2.20 1.51 0.11 -0.73 117.35 118.67 2wkp s TYR 483 Ca 0.23 -0.21 -0.15 0.00 -1.01 0.00 0.00 57.07 55.93 2wkp s TYR 483 Cb 0.05 -0.22 0.17 0.00 -0.11 0.00 0.00 41.96 41.85 2wkp s TYR 483 CO 0.12 -0.05 1.20 0.95 -1.11 0.00 0.00 175.55 176.66 2wkp s THR 484 N -0.55 1.94 0.43 -0.71 -4.23 -0.17 -4.66 115.64 107.69 2wkp s THR 484 Ca -0.04 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.60 2wkp s THR 484 Cb -0.04 -2.84 0.31 0.00 1.34 0.00 0.00 72.50 71.27 2wkp s THR 484 CO -0.00 0.00 2.00 0.50 -0.54 0.00 0.00 174.62 176.58 2wkp h LYS 485 N -1.63 0.42 -0.06 3.99 3.64 -1.32 -0.29 116.57 121.33 2wkp h LYS 485 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2wkp h LYS 485 Cb 1.29 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2wkp h LYS 485 CO 0.51 0.28 0.00 -1.13 -2.27 0.00 0.00 179.45 176.83 2wkp n SER 486 N -4.47 1.24 0.00 4.20 3.41 -1.26 -4.91 113.62 111.82 2wkp n SER 486 Ca 0.08 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 2wkp n SER 486 Cb 0.30 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2wkp n SER 486 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wkp n GLY 487 N 1.11 0.81 3.69 5.00 0.00 -0.12 -5.05 105.19 110.64 2wkp n GLY 487 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2wkp n GLY 487 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wkp s LYS 488 N -0.68 4.35 0.30 1.61 1.02 -1.26 -4.73 119.74 120.35 2wkp s LYS 488 Ca 0.00 1.72 -0.28 0.00 0.02 0.00 0.00 55.97 57.43 2wkp s LYS 488 Cb 0.00 -3.55 -0.09 0.00 -0.52 0.00 0.00 37.83 33.67 2wkp s LYS 488 CO 0.00 -0.45 1.00 0.21 -0.92 0.00 0.00 175.35 175.19 2wkp s LYS 489 N 2.17 4.61 0.04 1.68 2.20 -1.26 -0.99 119.74 128.19 2wkp s LYS 489 Ca 0.57 1.53 -0.06 0.00 -0.36 0.00 0.00 55.97 57.65 2wkp s LYS 489 Cb -0.26 -3.00 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 2wkp s LYS 489 CO 0.23 0.26 0.11 -0.59 -0.36 0.00 0.00 175.35 175.01 2wkp s PHE 490 N -1.37 0.20 0.14 4.03 -0.71 0.09 -4.95 117.98 115.40 2wkp s PHE 490 Ca 0.47 -0.52 -0.21 0.00 -1.04 0.00 0.00 56.93 55.63 2wkp s PHE 490 Cb -0.25 -0.13 -0.07 0.00 -1.21 0.00 0.00 43.02 41.35 2wkp s PHE 490 CO 0.31 -0.40 0.66 -1.58 -1.34 0.00 0.00 175.22 172.88 2wkp s TRP 491 N -2.85 3.79 -0.24 3.49 0.52 0.13 -0.42 118.94 123.37 2wkp s TRP 491 Ca -0.03 1.39 0.00 0.00 0.02 0.00 0.00 56.10 57.48 2wkp s TRP 491 Cb 0.00 -2.59 0.06 0.00 -1.15 0.00 0.00 33.47 29.80 2wkp s TRP 491 CO -0.06 0.50 -0.03 1.21 0.02 0.00 0.00 176.95 178.60 2wkp s ASN 492 N -1.28 3.79 -0.59 2.95 2.47 0.35 -0.60 114.94 122.02 2wkp s ASN 492 Ca 0.35 -1.20 -0.25 0.00 0.42 0.00 0.00 52.86 52.18 2wkp s ASN 492 Cb -0.20 -1.11 0.04 0.00 -1.45 0.00 0.00 41.25 38.53 2wkp s ASN 492 CO 0.22 -0.26 1.01 -0.22 -3.72 0.00 0.00 177.10 174.13 2wkp s LEU 493 N 1.44 3.96 -0.13 3.21 2.96 -0.46 -1.26 118.68 128.39 2wkp s LEU 493 Ca -0.04 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.48 2wkp s LEU 493 Cb -0.19 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 2wkp s LEU 493 CO -0.07 -1.35 -0.13 0.12 -1.32 0.00 0.00 176.35 173.60 2wkp s PHE 494 N 4.28 2.82 -0.08 5.38 5.36 0.75 -1.16 117.98 135.34 2wkp s PHE 494 Ca 0.31 -0.64 0.04 0.00 -0.96 0.00 0.00 56.93 55.69 2wkp s PHE 494 Cb -0.12 -1.85 -0.00 0.00 -0.34 0.00 0.00 43.02 40.71 2wkp s PHE 494 CO 0.18 -0.21 -0.22 -1.58 -1.46 0.00 0.00 175.22 171.94 2wkp s HIS 495 N 0.37 2.25 -0.06 10.12 5.65 -0.36 -1.01 115.29 132.25 2wkp s HIS 495 Ca -0.10 -0.83 0.06 0.00 0.25 0.00 0.00 55.06 54.43 2wkp s HIS 495 Cb -0.16 -1.52 -0.01 0.00 -1.18 0.00 0.00 32.58 29.71 2wkp s HIS 495 CO 0.05 -0.32 -0.24 -1.17 -0.65 0.00 0.00 174.74 172.41 2wkp s LEU 496 N 0.25 2.10 -0.07 8.88 2.96 0.20 -0.51 118.68 132.50 2wkp s LEU 496 Ca -0.13 -0.50 -0.13 0.00 -0.22 0.00 0.00 54.13 53.15 2wkp s LEU 496 Cb -0.16 -1.38 0.03 0.00 0.50 0.00 0.00 46.19 45.17 2wkp s LEU 496 CO 0.06 0.24 0.32 0.00 -1.32 0.00 0.00 176.35 175.66 2wkp s GLN 497 N -0.16 0.53 0.46 1.98 -2.07 -0.05 -1.55 119.66 118.80 2wkp s GLN 497 Ca -0.04 0.13 -0.22 0.00 -1.82 0.00 0.00 55.36 53.41 2wkp s GLN 497 Cb -0.14 0.24 -0.07 0.00 -1.09 0.00 0.00 33.01 31.95 2wkp s GLN 497 CO 0.04 -0.12 1.13 -2.14 -1.32 0.00 0.00 175.29 172.89 2wkp s PRO 498 N -0.59 3.76 -0.15 9.60 0.02 -1.26 -0.27 135.00 146.11 2wkp s PRO 498 Ca -0.07 1.68 -0.02 0.00 0.02 0.00 0.00 61.00 62.61 2wkp s PRO 498 Cb -0.04 -2.34 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 2wkp s PRO 498 CO 0.02 -0.53 -0.08 1.41 -0.33 0.00 0.00 177.00 177.50 2wkp s MET 499 N -2.79 3.51 0.07 5.54 1.75 0.16 -4.85 119.30 122.69 2wkp s MET 499 Ca 0.64 -0.60 0.02 0.00 -1.25 0.00 0.00 55.69 54.50 2wkp s MET 499 Cb -0.26 -2.80 -0.04 0.00 2.84 0.00 0.00 34.83 34.57 2wkp s MET 499 CO 0.31 0.18 0.08 1.03 -0.65 0.00 0.00 175.02 175.98 2wkp s ARG 500 N 0.48 2.93 0.58 4.11 0.52 -1.26 0.08 118.95 126.38 2wkp s ARG 500 Ca -0.06 -0.65 -0.07 0.00 -0.52 0.00 0.00 55.73 54.42 2wkp s ARG 500 Cb -0.15 -2.76 0.13 0.00 0.52 0.00 0.00 34.95 32.69 2wkp s ARG 500 CO 0.04 0.58 0.80 -0.40 0.02 0.00 0.00 175.30 176.33 2wkp n ASP 501 N 0.55 0.34 -0.24 0.23 5.68 0.83 -4.81 116.55 119.14 2wkp n ASP 501 Ca -0.09 -1.46 0.01 0.00 -0.50 0.00 0.00 54.79 52.75 2wkp n ASP 501 Cb 0.52 -0.58 0.13 0.00 -1.14 0.00 0.00 41.12 40.04 2wkp n ASP 501 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2wkp h GLN 502 N 0.00 0.56 -0.51 0.11 4.20 -2.00 -1.60 115.11 115.87 2wkp h GLN 502 Ca -0.26 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.48 2wkp h GLN 502 Cb 0.78 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.38 2wkp h GLN 502 CO 0.21 0.37 0.21 0.87 -0.67 0.00 0.00 178.83 179.81 2wkp h LYS 503 N 0.57 0.39 0.00 1.46 1.57 -2.04 -3.46 116.57 115.06 2wkp h LYS 503 Ca 0.34 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2wkp h LYS 503 Cb 0.36 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2wkp h LYS 503 CO -0.27 0.26 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 2wkp n GLY 504 N -1.26 0.74 3.87 3.86 0.00 -0.60 -5.14 105.19 106.66 2wkp n GLY 504 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2wkp n GLY 504 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wkp s ASP 505 N -1.00 6.64 0.12 1.61 1.01 -1.26 -4.75 116.67 119.05 2wkp s ASP 505 Ca 0.00 1.00 -0.31 0.00 0.71 0.00 0.00 52.55 53.94 2wkp s ASP 505 Cb 0.00 -2.26 -0.09 0.00 1.01 0.00 0.00 42.92 41.58 2wkp s ASP 505 CO 0.00 -0.12 1.60 -0.69 0.21 0.00 0.00 175.17 176.16 2wkp s VAL 506 N -1.89 2.82 -0.15 -1.27 1.01 -1.26 -0.12 120.40 119.53 2wkp s VAL 506 Ca 0.49 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 2wkp s VAL 506 Cb -0.11 -3.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.87 2wkp s VAL 506 CO 0.21 0.02 -0.15 1.67 0.00 0.00 0.00 175.10 176.85 2wkp n GLN 507 N 4.63 0.37 -4.17 2.72 7.27 0.11 -4.82 117.38 123.50 2wkp n GLN 507 Ca 0.15 0.10 -0.10 0.00 0.07 0.00 0.00 57.00 57.21 2wkp n GLN 507 Cb 0.39 -1.25 -0.10 0.00 2.41 0.00 0.00 30.24 31.70 2wkp n GLN 507 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2wkp s TYR 508 N -2.30 0.92 -0.03 3.69 2.02 -0.96 -4.25 117.35 116.44 2wkp s TYR 508 Ca -0.21 -1.18 0.02 0.00 -0.37 0.00 0.00 57.07 55.33 2wkp s TYR 508 Cb 0.06 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 41.06 2wkp s TYR 508 CO 0.33 -0.44 -0.05 -0.06 -1.57 0.00 0.00 175.55 173.77 2wkp s PHE 509 N -3.95 2.97 -0.11 2.71 0.08 -0.88 0.39 117.98 119.19 2wkp s PHE 509 Ca 0.23 0.03 -0.00 0.00 0.12 0.00 0.00 56.93 57.31 2wkp s PHE 509 Cb 0.07 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2wkp s PHE 509 CO 0.02 0.39 -0.10 0.42 -0.10 0.00 0.00 175.22 175.84 2wkp s ILE 510 N -0.94 3.39 -0.07 0.64 1.01 0.63 -1.06 121.20 124.81 2wkp s ILE 510 Ca 0.15 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2wkp s ILE 510 Cb -0.11 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.96 2wkp s ILE 510 CO 0.05 0.55 -0.10 -0.83 0.00 0.00 0.00 174.94 174.61 2wkp s GLY 511 N -0.10 0.73 -0.09 6.18 0.00 -0.44 -0.88 107.32 112.73 2wkp s GLY 511 Ca -0.00 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.40 2wkp s GLY 511 CO 0.03 0.24 -0.23 0.14 0.00 0.00 0.00 173.10 173.28 2wkp s VAL 512 N 0.81 2.14 -0.16 1.40 1.01 0.34 -1.44 120.40 124.50 2wkp s VAL 512 Ca -0.12 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 2wkp s VAL 512 Cb -0.15 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2wkp s VAL 512 CO 0.02 0.56 -0.13 -1.10 0.00 0.00 0.00 175.10 174.45 2wkp s GLN 513 N 0.15 3.29 -0.40 2.72 1.11 -0.89 -1.23 119.66 124.43 2wkp s GLN 513 Ca -0.13 -0.71 -0.06 0.00 0.01 0.00 0.00 55.36 54.47 2wkp s GLN 513 Cb -0.16 -2.69 0.08 0.00 -1.01 0.00 0.00 33.01 29.23 2wkp s GLN 513 CO 0.07 0.04 0.20 -1.17 0.01 0.00 0.00 175.29 174.44 2wkp s LEU 514 N 0.78 4.97 0.21 2.90 1.98 -0.31 -4.35 118.68 124.86 2wkp s LEU 514 Ca -0.05 -1.59 -0.19 0.00 -2.89 0.00 0.00 54.13 49.41 2wkp s LEU 514 Cb -0.15 -1.90 -0.08 0.00 0.66 0.00 0.00 46.19 44.72 2wkp s LEU 514 CO 0.01 -0.49 0.70 1.51 -1.89 0.00 0.00 176.35 176.19 2wkp s ASP 515 N 1.89 7.02 0.14 3.68 -4.77 -1.26 -1.36 116.67 122.01 2wkp s ASP 515 Ca 0.03 1.37 -0.02 0.00 -3.30 0.00 0.00 52.55 50.63 2wkp s ASP 515 Cb -0.22 -2.40 0.01 0.00 -1.09 0.00 0.00 42.92 39.22 2wkp s ASP 515 CO 0.00 0.04 0.22 0.61 0.70 0.00 0.00 175.17 176.74 2wkp n GLY 516 N 0.71 2.35 0.33 2.12 0.00 0.23 -4.98 105.19 105.95 2wkp n GLY 516 Ca -0.03 -1.34 0.07 0.00 0.00 0.00 0.00 46.02 44.72 2wkp n GLY 516 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wkp n THR 517 N -0.21 0.00 -3.83 2.61 -2.24 -1.26 -0.69 114.28 108.65 2wkp n THR 517 Ca -0.01 -0.38 -0.09 0.00 -2.27 0.00 0.00 64.05 61.30 2wkp n THR 517 Cb 0.22 1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 69.57 2wkp n THR 517 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2wkp s GLU 518 N -1.60 1.34 0.06 -0.78 1.03 -1.26 -4.77 118.70 112.71 2wkp s GLU 518 Ca 0.12 -1.00 -0.31 0.00 0.03 0.00 0.00 54.97 53.81 2wkp s GLU 518 Cb 0.11 0.47 -0.07 0.00 -0.80 0.00 0.00 34.13 33.84 2wkp s GLU 518 CO 0.32 -0.55 1.44 -1.58 -1.33 0.00 0.00 175.26 173.56 2wkp s HIS 519 N -3.92 2.96 0.25 4.83 5.65 -1.26 -4.86 115.29 118.95 2wkp s HIS 519 Ca 0.13 0.79 0.07 0.00 0.25 0.00 0.00 55.06 56.30 2wkp s HIS 519 Cb 0.00 -3.72 -0.03 0.00 -1.18 0.00 0.00 32.58 27.65 2wkp s HIS 519 CO -0.01 -2.66 0.24 0.14 -0.65 0.00 0.00 174.74 171.81 2wkp s VAL 520 N 1.85 4.62 0.26 0.89 -7.23 -1.26 -5.11 120.40 114.42 2wkp s VAL 520 Ca 0.66 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 59.50 2wkp s VAL 520 Cb -0.35 -3.51 -0.02 0.00 0.56 0.00 0.00 36.38 33.06 2wkp s VAL 520 CO 0.29 -0.34 0.31 -0.13 -0.31 0.00 0.00 175.10 174.92 2wkp s ARG 521 N -3.88 1.53 1.40 4.82 0.52 -1.26 -4.61 118.95 117.47 2wkp s ARG 521 Ca 0.33 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 2wkp s ARG 521 Cb -0.08 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.75 2wkp s ARG 521 CO 0.26 -0.58 0.00 -0.25 0.02 0.00 0.00 175.30 174.75 2wkp n ASP 522 N -0.75 0.00 -0.24 0.23 8.00 -1.26 -1.93 116.55 120.60 2wkp n ASP 522 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2wkp n ASP 522 Cb 0.63 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.86 2wkp n ASP 522 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wkp h ALA 523 N -0.18 0.96 -0.54 2.24 0.00 -1.99 -1.00 119.26 118.75 2wkp h ALA 523 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wkp h ALA 523 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2wkp h ALA 523 CO 0.00 0.00 0.17 0.00 0.00 0.00 0.00 179.25 179.42 2wkp h ALA 524 N 1.40 0.71 -0.23 0.00 0.00 -1.79 -1.22 119.26 118.13 2wkp h ALA 524 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wkp h ALA 524 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2wkp h ALA 524 CO -0.23 0.37 0.15 1.49 0.00 0.00 0.00 179.25 181.03 2wkp h GLU 525 N 0.75 0.31 -0.75 0.00 4.81 -0.96 -1.63 114.58 117.11 2wkp h GLU 525 Ca 0.18 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 2wkp h GLU 525 Cb 0.28 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2wkp h GLU 525 CO -0.01 0.22 0.48 -0.09 -0.73 0.00 0.00 179.01 178.88 2wkp h ARG 526 N 0.31 0.92 -0.39 1.92 2.43 -0.88 -0.27 114.38 118.41 2wkp h ARG 526 Ca 0.09 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2wkp h ARG 526 Cb -0.02 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 2wkp h ARG 526 CO -0.02 0.61 0.09 0.93 -1.51 0.00 0.00 179.97 180.07 2wkp h GLU 527 N 0.95 0.62 -0.54 0.20 5.08 -1.05 -2.36 114.58 117.48 2wkp h GLU 527 Ca 0.29 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2wkp h GLU 527 Cb -0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2wkp h GLU 527 CO -0.10 0.66 0.28 0.78 -1.00 0.00 0.00 179.01 179.63 2wkp h GLY 528 N 0.48 0.81 1.00 -3.84 0.00 -0.87 -1.77 103.07 98.89 2wkp h GLY 528 Ca 0.12 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2wkp h GLY 528 CO 0.00 0.36 0.38 -2.08 0.00 0.00 0.00 176.54 175.21 2wkp h VAL 529 N 0.72 1.18 -0.66 4.60 2.07 -0.96 -1.76 116.25 121.45 2wkp h VAL 529 Ca 0.19 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2wkp h VAL 529 Cb 0.07 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2wkp h VAL 529 CO -0.03 0.19 0.28 0.24 0.02 0.00 0.00 177.57 178.26 2wkp h MET 530 N 0.85 0.97 0.03 1.57 2.07 -1.22 -1.69 114.93 117.51 2wkp h MET 530 Ca 0.23 -0.17 -0.00 0.00 -2.07 0.00 0.00 59.70 57.69 2wkp h MET 530 Cb -0.03 -0.16 0.00 0.00 -1.87 0.00 0.00 31.60 29.53 2wkp h MET 530 CO -0.04 0.80 -0.02 -0.07 1.07 0.00 0.00 176.91 178.66 2wkp h LEU 531 N 0.92 -0.04 -0.86 1.22 4.07 -0.93 -2.41 115.31 117.29 2wkp h LEU 531 Ca 0.22 -0.04 -0.11 0.00 0.08 0.00 0.00 57.88 58.03 2wkp h LEU 531 Cb 0.19 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2wkp h LEU 531 CO -0.02 0.01 -0.39 0.16 -1.08 0.00 0.00 178.44 177.12 2wkp h ILE 532 N -0.09 1.30 -0.65 1.22 3.07 -1.21 -1.35 117.51 119.82 2wkp h ILE 532 Ca -0.00 -1.51 -0.04 0.00 1.55 0.00 0.00 64.86 64.85 2wkp h ILE 532 Cb 0.07 1.61 -0.03 0.00 -0.27 0.00 0.00 36.82 38.21 2wkp h ILE 532 CO 0.01 0.46 0.23 0.50 -1.05 0.00 0.00 178.15 178.30 2wkp h LYS 533 N 0.30 0.99 -0.59 0.16 1.63 -1.27 0.10 116.57 117.90 2wkp h LYS 533 Ca 0.03 -0.20 -0.04 0.00 -0.85 0.00 0.00 60.65 59.59 2wkp h LYS 533 Cb 0.83 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 2wkp h LYS 533 CO 0.07 0.85 0.20 -0.22 -3.45 0.00 0.00 179.45 176.90 2wkp h LYS 534 N 0.92 0.90 -0.37 1.90 1.63 -1.14 -2.11 116.57 118.31 2wkp h LYS 534 Ca 0.21 -0.18 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2wkp h LYS 534 Cb 0.25 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 2wkp h LYS 534 CO -0.01 0.80 0.24 1.15 -3.45 0.00 0.00 179.45 178.17 2wkp h THR 535 N 0.82 1.08 -0.88 1.00 2.02 -0.95 -1.81 112.91 114.20 2wkp h THR 535 Ca 0.19 -0.17 0.08 0.00 0.77 0.00 0.00 66.41 67.29 2wkp h THR 535 Cb 0.26 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 2wkp h THR 535 CO -0.01 0.09 0.53 0.00 0.37 0.00 0.00 175.52 176.50 2wkp h ALA 536 N 1.14 1.24 -0.75 6.16 0.00 -0.70 -0.78 119.26 125.58 2wkp h ALA 536 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2wkp h ALA 536 Cb -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2wkp h ALA 536 CO -0.04 0.22 0.28 0.93 0.00 0.00 0.00 179.25 180.63 2wkp h GLU 537 N 0.92 1.12 -0.72 0.00 4.39 -1.01 -1.02 114.58 118.27 2wkp h GLU 537 Ca 0.40 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 2wkp h GLU 537 Cb 0.29 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2wkp h GLU 537 CO -0.21 0.93 0.31 -0.91 -1.16 0.00 0.00 179.01 177.96 2wkp h ASN 538 N 1.09 0.97 -0.53 1.42 2.35 -0.46 -2.53 115.58 117.89 2wkp h ASN 538 Ca 0.25 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 2wkp h ASN 538 Cb 0.24 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2wkp h ASN 538 CO -0.02 0.85 0.00 0.40 -1.65 0.00 0.00 177.43 177.01 2wkp h ILE 539 N 1.04 1.26 -0.39 2.81 2.04 -0.80 -1.79 117.51 121.68 2wkp h ILE 539 Ca 0.25 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 65.05 2wkp h ILE 539 Cb 0.17 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2wkp h ILE 539 CO -0.02 0.39 0.18 -0.78 0.00 0.00 0.00 178.15 177.91 2wkp h ASP 540 N 0.81 0.24 -0.11 1.72 1.82 -1.04 0.50 116.42 120.36 2wkp h ASP 540 Ca 0.15 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2wkp h ASP 540 Cb 0.52 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 2wkp h ASP 540 CO 0.03 0.18 0.06 -0.08 -1.61 0.00 0.00 179.24 177.82 2wkp h GLU 541 N 0.36 0.16 -0.43 0.28 4.81 -1.30 -2.89 114.58 115.57 2wkp h GLU 541 Ca 0.17 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2wkp h GLU 541 Cb 0.11 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2wkp h GLU 541 CO -0.14 0.18 -0.06 0.00 -0.73 0.00 0.00 179.01 178.27 2wkp h ALA 542 N 0.97 1.10 0.00 2.92 0.00 -0.91 -2.89 119.26 120.45 2wkp h ALA 542 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2wkp h ALA 542 Cb 0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wkp h ALA 542 CO -0.01 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.72 2wkp h ALA 543 N 1.27 1.09 -0.25 0.00 0.00 0.09 -2.35 119.26 119.11 2wkp h ALA 543 Ca 0.13 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2wkp h ALA 543 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2wkp h ALA 543 CO 0.03 0.11 0.26 0.87 0.00 0.00 0.00 179.25 180.51 2wkp h LYS 544 N 0.00 0.00 -0.57 0.00 1.57 -1.30 -1.53 116.57 114.74 2wkp h LYS 544 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wkp h LYS 544 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2wkp h LYS 544 CO 0.01 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.28 2wkp n GLU 545 N -3.86 2.63 -2.00 3.15 -0.58 -0.88 -4.91 120.64 114.19 2wkp n GLU 545 Ca 0.03 -2.44 -0.42 0.00 -0.42 0.00 0.00 57.16 53.91 2wkp n GLU 545 Cb 0.40 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.74 2wkp n GLU 545 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2wkp s LEU 546 N -1.13 4.19 0.01 -4.62 2.96 -0.58 -4.63 118.68 114.89 2wkp s LEU 546 Ca 0.42 2.09 -0.30 0.00 -0.22 0.00 0.00 54.13 56.12 2wkp s LEU 546 Cb 0.22 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 2wkp s LEU 546 CO 0.30 -1.05 1.06 -0.63 -1.32 0.00 0.00 176.35 174.71 2wkp s ILE 547 N 4.50 4.56 -0.35 6.68 1.01 -0.40 -4.90 121.20 132.29 2wkp s ILE 547 Ca 0.75 1.84 -0.13 0.00 0.00 0.00 0.00 60.65 63.10 2wkp s ILE 547 Cb -0.32 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 37.97 2wkp s ILE 547 CO 0.30 0.13 0.25 -0.75 0.00 0.00 0.00 174.94 174.87 2wkp s LYS 548 N 1.15 3.39 -0.13 2.79 2.20 -1.26 -0.33 119.74 127.55 2wkp s LYS 548 Ca 0.54 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 55.45 2wkp s LYS 548 Cb -0.24 -3.84 -0.00 0.00 -1.51 0.00 0.00 37.83 32.24 2wkp s LYS 548 CO 0.27 -0.50 -0.20 0.00 -0.36 0.00 0.00 175.35 174.56 2wkp s VAL 550 N 0.54 2.81 -0.23 0.00 1.01 -0.77 -0.78 120.40 122.99 2wkp s VAL 550 Ca -0.12 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 2wkp s VAL 550 Cb -0.17 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2wkp s VAL 550 CO 0.04 0.55 -0.02 -0.69 0.00 0.00 0.00 175.10 174.99 2wkp s VAL 551 N 0.03 3.58 0.23 2.92 1.01 -0.46 -1.22 120.40 126.49 2wkp s VAL 551 Ca -0.06 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2wkp s VAL 551 Cb -0.15 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 2wkp s VAL 551 CO 0.05 0.40 -0.04 0.68 0.00 0.00 0.00 175.10 176.19 2wkp s VAL 552 N 1.51 1.23 0.00 2.92 -7.23 -0.33 -3.42 120.40 115.08 2wkp s VAL 552 Ca 0.06 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2wkp s VAL 552 Cb -0.14 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.52 2wkp s VAL 552 CO -0.02 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 2wkp n GLY 553 N -0.42 2.99 3.49 2.32 0.00 -1.26 -0.70 105.19 111.60 2wkp n GLY 553 Ca -0.06 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 2wkp n GLY 553 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wkp n ASP 554 N 0.00 -1.03 -4.70 1.61 9.92 -1.26 -3.89 116.55 117.20 2wkp n ASP 554 Ca 0.00 0.55 -0.42 0.00 -0.53 0.00 0.00 54.79 54.39 2wkp n ASP 554 Cb 0.00 -1.25 -0.01 0.00 -0.64 0.00 0.00 41.12 39.22 2wkp n ASP 554 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wkp n GLY 555 N 1.50 0.63 2.43 0.44 0.00 -1.25 -2.85 105.19 106.08 2wkp n GLY 555 Ca 0.10 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 46.41 2wkp n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkp n ALA 556 N 0.37 -0.04 0.54 4.61 0.00 -1.26 -4.90 120.51 119.83 2wkp n ALA 556 Ca 0.05 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.65 2wkp n ALA 556 Cb 0.36 -0.85 0.39 0.00 0.00 0.00 0.00 19.45 19.35 2wkp n ALA 556 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wkp h VAL 557 N 0.00 0.00 0.00 0.00 -1.51 -1.88 -3.47 116.25 109.38 2wkp h VAL 557 Ca -0.05 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 2wkp h VAL 557 Cb 0.52 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2wkp h VAL 557 CO 0.07 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 2wkp n GLY 558 N 1.10 1.58 0.06 5.19 0.00 -1.26 -4.50 105.19 107.37 2wkp n GLY 558 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 2wkp n GLY 558 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkp h LYS 559 N 0.32 0.07 -0.44 1.61 1.57 -1.91 -0.68 116.57 117.12 2wkp h LYS 559 Ca 0.00 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2wkp h LYS 559 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2wkp h LYS 559 CO 0.00 0.05 -0.22 1.15 -0.57 0.00 0.00 179.45 179.86 2wkp h THR 560 N 0.08 1.27 -0.80 -0.16 2.02 -1.96 -2.53 112.91 110.83 2wkp h THR 560 Ca 0.03 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 2wkp h THR 560 Cb 0.00 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 2wkp h THR 560 CO -0.02 0.47 0.43 0.00 0.37 0.00 0.00 175.52 176.77 2wkp h LEU 562 N 1.13 0.27 -0.27 0.00 8.10 -0.95 0.30 115.31 123.89 2wkp h LEU 562 Ca 0.28 -0.14 -0.14 0.00 0.11 0.00 0.00 57.88 57.99 2wkp h LEU 562 Cb 0.04 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.18 2wkp h LEU 562 CO -0.04 0.76 -0.38 -0.07 -4.11 0.00 0.00 178.44 174.59 2wkp h LEU 563 N 0.19 0.81 -0.60 0.17 3.38 -1.03 -0.93 115.31 117.31 2wkp h LEU 563 Ca 0.00 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 2wkp h LEU 563 Cb 1.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2wkp h LEU 563 CO 0.08 1.16 0.03 0.40 0.09 0.00 0.00 178.44 180.19 2wkp h ILE 564 N 0.48 1.26 -0.41 1.22 2.04 -0.98 -1.11 117.51 120.02 2wkp h ILE 564 Ca 0.03 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 2wkp h ILE 564 Cb 0.97 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2wkp h ILE 564 CO 0.09 0.40 0.05 -1.28 0.00 0.00 0.00 178.15 177.42 2wkp h SER 565 N 0.94 0.67 -0.39 1.72 0.87 -0.86 -0.19 113.55 116.31 2wkp h SER 565 Ca 0.17 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.38 2wkp h SER 565 Cb 0.52 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 2wkp h SER 565 CO 0.03 0.78 -0.08 0.22 -0.53 0.00 0.00 176.83 177.24 2wkp h TYR 566 N 0.55 0.82 0.00 2.24 3.20 -1.06 0.41 116.97 123.14 2wkp h TYR 566 Ca 0.12 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2wkp h TYR 566 Cb 0.40 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2wkp h TYR 566 CO 0.03 0.87 -0.58 1.79 -1.64 0.00 0.00 178.16 178.63 2wkp h THR 567 N 0.55 0.00 0.00 1.81 1.35 -1.13 -3.39 112.91 112.09 2wkp h THR 567 Ca 0.10 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2wkp h THR 567 Cb 0.59 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2wkp h THR 567 CO 0.04 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.66 2wkp n THR 568 N -2.50 0.00 -1.07 6.82 -2.24 -0.09 -5.02 114.28 110.19 2wkp n THR 568 Ca 0.03 -0.15 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 2wkp n THR 568 Cb 0.49 1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 70.01 2wkp n THR 568 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wkp n ASN 569 N -0.18 -5.48 -4.89 3.42 3.02 0.13 -4.98 115.26 106.31 2wkp n ASN 569 Ca 0.00 0.06 -0.21 0.00 -0.03 0.00 0.00 54.58 54.40 2wkp n ASN 569 Cb 0.07 -3.18 0.08 0.00 -0.61 0.00 0.00 39.78 36.14 2wkp n ASN 569 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wkp s ALA 570 N -1.35 4.29 -0.13 5.41 0.00 -1.26 -4.99 121.76 123.73 2wkp s ALA 570 Ca 0.00 -1.93 -0.00 0.00 0.00 0.00 0.00 51.96 50.02 2wkp s ALA 570 Cb 0.00 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.45 2wkp s ALA 570 CO 0.00 -1.06 -0.07 0.12 0.00 0.00 0.00 175.76 174.75 2wkp s PHE 571 N -2.84 1.60 0.23 0.00 2.19 -1.26 -3.92 117.98 113.98 2wkp s PHE 571 Ca 0.63 -0.88 -0.01 0.00 0.33 0.00 0.00 56.93 57.00 2wkp s PHE 571 Cb -0.06 -1.28 0.25 0.00 -1.31 0.00 0.00 43.02 40.62 2wkp s PHE 571 CO 0.41 -0.56 1.62 -1.00 1.83 0.00 0.00 175.22 177.52 2wkp h PRO 572 N 8.15 0.54 0.00 10.12 0.13 -1.96 -3.47 132.00 145.50 2wkp h PRO 572 Ca -0.29 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2wkp h PRO 572 Cb 1.12 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2wkp h PRO 572 CO 0.41 0.83 0.00 0.41 -0.23 0.00 0.00 178.00 179.43 2wkp n GLY 573 N -0.08 1.54 3.39 1.56 0.00 -1.26 -4.92 105.19 105.43 2wkp n GLY 573 Ca -0.01 0.07 -0.55 0.00 0.00 0.00 0.00 46.02 45.52 2wkp n GLY 573 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wkp n GLU 574 N 0.00 0.60 -1.64 1.61 2.13 -1.26 -4.79 120.64 117.30 2wkp n GLU 574 Ca 0.00 0.17 -0.43 0.00 0.66 0.00 0.00 57.16 57.56 2wkp n GLU 574 Cb 0.00 -2.01 -0.03 0.00 0.27 0.00 0.00 31.44 29.67 2wkp n GLU 574 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2wkp n TYR 575 N 8.44 2.29 -4.01 4.31 9.36 -1.26 -4.98 117.16 131.32 2wkp n TYR 575 Ca 0.46 -0.26 -0.30 0.00 3.32 0.00 0.00 57.90 61.12 2wkp n TYR 575 Cb 0.10 -2.77 -0.16 0.00 -0.63 0.00 0.00 39.34 35.89 2wkp n TYR 575 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2wkp s ILE 576 N 5.86 1.65 0.46 2.97 1.01 -1.26 -5.12 121.20 126.77 2wkp s ILE 576 Ca 0.94 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 2wkp s ILE 576 Cb -0.42 -1.65 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 2wkp s ILE 576 CO 0.40 0.28 1.33 -2.65 0.00 0.00 0.00 174.94 174.30 2wkp n PRO 577 N 4.71 1.95 -3.52 2.79 -0.02 -1.26 -4.99 135.00 134.66 2wkp n PRO 577 Ca -0.16 0.70 -0.34 0.00 -2.02 0.00 0.00 63.50 61.68 2wkp n PRO 577 Cb 0.48 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 2wkp n PRO 577 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2wkp s THR 578 N -1.23 5.03 0.00 3.45 2.01 -1.26 -5.05 115.64 118.59 2wkp s THR 578 Ca 0.64 0.46 0.00 0.00 0.31 0.00 0.00 61.69 63.10 2wkp s THR 578 Cb -0.47 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.39 2wkp s THR 578 CO 0.56 0.17 0.00 0.52 -0.69 0.00 0.00 174.62 175.18 2wkp n VAL 579 N 0.56 0.00 -4.31 3.82 0.31 -1.26 -4.13 118.33 113.32 2wkp n VAL 579 Ca -0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.08 2wkp n VAL 579 Cb 0.52 -0.74 -0.13 0.00 -0.91 0.00 0.00 33.84 32.58 2wkp n VAL 579 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2wkp s PHE 580 N 0.00 1.32 0.18 3.52 0.40 -1.26 -2.42 117.98 119.72 2wkp s PHE 580 Ca 0.00 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.79 2wkp s PHE 580 Cb 0.00 -0.76 0.02 0.00 0.51 0.00 0.00 43.02 42.79 2wkp s PHE 580 CO 0.00 0.06 0.45 0.34 0.70 0.00 0.00 175.22 176.77 2wkp s ASP 581 N -1.40 -0.17 0.08 1.36 3.68 -0.85 -4.96 116.67 114.41 2wkp s ASP 581 Ca 0.01 -0.59 0.05 0.00 2.13 0.00 0.00 52.55 54.15 2wkp s ASP 581 Cb -0.09 0.53 -0.03 0.00 -1.45 0.00 0.00 42.92 41.88 2wkp s ASP 581 CO 0.02 -1.00 -0.13 0.20 0.13 0.00 0.00 175.17 174.39 2wkp s ASN 582 N -2.90 1.54 0.08 -0.34 0.01 -1.26 -0.24 114.94 111.83 2wkp s ASN 582 Ca 0.11 -0.65 0.01 0.00 -0.71 0.00 0.00 52.86 51.62 2wkp s ASN 582 Cb 0.00 -0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.60 2wkp s ASN 582 CO -0.02 -0.13 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.07 2wkp s TYR 583 N -1.55 0.76 0.05 2.20 1.51 -0.28 -4.54 117.35 115.49 2wkp s TYR 583 Ca -0.01 -0.87 0.02 0.00 -1.01 0.00 0.00 57.07 55.19 2wkp s TYR 583 Cb -0.08 -0.46 -0.03 0.00 -0.11 0.00 0.00 41.96 41.28 2wkp s TYR 583 CO 0.02 -0.19 -0.06 -1.54 -1.11 0.00 0.00 175.55 172.67 2wkp s SER 584 N -2.74 0.78 -0.08 2.29 1.04 -1.26 -0.75 113.70 112.97 2wkp s SER 584 Ca 0.07 -0.67 -0.09 0.00 0.48 0.00 0.00 55.95 55.74 2wkp s SER 584 Cb 0.03 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.24 2wkp s SER 584 CO -0.05 -0.30 0.25 0.00 0.98 0.00 0.00 173.24 174.12 2wkp s ALA 585 N -2.03 -0.61 -0.36 5.32 0.00 -0.36 -4.93 121.76 118.79 2wkp s ALA 585 Ca -0.05 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.41 2wkp s ALA 585 Cb -0.06 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.76 2wkp s ALA 585 CO -0.02 -0.14 0.19 -0.80 0.00 0.00 0.00 175.76 174.99 2wkp s ASN 586 N -0.11 5.66 -0.13 0.00 0.01 -1.26 -0.59 114.94 118.52 2wkp s ASN 586 Ca -0.02 -0.95 0.01 0.00 -0.71 0.00 0.00 52.86 51.18 2wkp s ASN 586 Cb -0.03 -2.00 -0.01 0.00 0.41 0.00 0.00 41.25 39.62 2wkp s ASN 586 CO 0.01 -0.35 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.40 2wkp s VAL 587 N 1.54 2.79 -0.34 1.60 1.01 0.13 -4.87 120.40 122.25 2wkp s VAL 587 Ca 0.02 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 2wkp s VAL 587 Cb -0.19 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2wkp s VAL 587 CO 0.06 0.53 1.26 -0.04 0.00 0.00 0.00 175.10 176.91 2wkp s MET 588 N 0.45 3.87 -0.17 2.72 -1.94 -1.26 -0.76 119.30 122.21 2wkp s MET 588 Ca -0.11 1.09 0.01 0.00 -1.71 0.00 0.00 55.69 54.96 2wkp s MET 588 Cb -0.16 -3.88 0.02 0.00 2.01 0.00 0.00 34.83 32.82 2wkp s MET 588 CO 0.05 -1.18 -0.19 0.08 -0.01 0.00 0.00 175.02 173.77 2wkp s VAL 589 N 4.42 1.99 -1.49 -6.03 1.01 0.10 -4.66 120.40 115.74 2wkp s VAL 589 Ca 0.54 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2wkp s VAL 589 Cb -0.14 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.45 2wkp s VAL 589 CO 0.24 0.53 0.27 0.47 0.00 0.00 0.00 175.10 176.62 2wkp n ASP 590 N 4.63 0.01 0.00 3.32 8.00 -1.26 -1.44 116.55 129.80 2wkp n ASP 590 Ca -0.20 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.18 2wkp n ASP 590 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.17 2wkp n ASP 590 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wkp n GLY 591 N -2.17 0.62 3.53 0.44 0.00 -1.26 -5.00 105.19 101.34 2wkp n GLY 591 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2wkp n GLY 591 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wkp s LYS 592 N -0.39 2.99 0.26 1.61 2.20 -0.52 -5.07 119.74 120.82 2wkp s LYS 592 Ca 0.00 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 2wkp s LYS 592 Cb 0.00 -2.64 -0.09 0.00 -1.51 0.00 0.00 37.83 33.59 2wkp s LYS 592 CO 0.00 0.52 1.18 -2.14 -0.36 0.00 0.00 175.35 174.55 2wkp s PRO 593 N -0.43 4.52 -0.04 4.03 0.02 -1.26 -0.72 135.00 141.13 2wkp s PRO 593 Ca 0.06 1.93 0.02 0.00 0.02 0.00 0.00 61.00 63.03 2wkp s PRO 593 Cb -0.12 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 31.23 2wkp s PRO 593 CO 0.02 0.02 -0.10 0.08 -0.33 0.00 0.00 177.00 176.70 2wkp s VAL 594 N -0.81 0.88 -0.22 3.83 1.01 0.06 -4.92 120.40 120.24 2wkp s VAL 594 Ca 0.48 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.89 2wkp s VAL 594 Cb -0.34 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2wkp s VAL 594 CO 0.43 0.28 0.59 0.20 0.00 0.00 0.00 175.10 176.60 2wkp s ASN 595 N 0.42 6.60 -0.13 3.32 0.02 -1.26 -0.70 114.94 123.21 2wkp s ASN 595 Ca -0.08 0.73 0.01 0.00 -1.02 0.00 0.00 52.86 52.51 2wkp s ASN 595 Cb -0.12 -2.32 -0.01 0.00 0.02 0.00 0.00 41.25 38.82 2wkp s ASN 595 CO 0.01 -0.27 -0.17 -0.22 0.02 0.00 0.00 177.10 176.47 2wkp s LEU 596 N 2.02 2.45 -0.13 0.60 2.96 0.25 -1.28 118.68 125.55 2wkp s LEU 596 Ca 0.26 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 2wkp s LEU 596 Cb -0.16 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 2wkp s LEU 596 CO 0.10 0.13 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.40 2wkp s GLY 597 N 0.55 1.75 -0.20 7.98 0.00 0.55 -1.22 107.32 116.73 2wkp s GLY 597 Ca -0.10 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.80 2wkp s GLY 597 CO 0.04 -0.23 -0.17 1.08 0.00 0.00 0.00 173.10 173.82 2wkp s LEU 598 N -0.02 2.44 -0.36 0.66 1.43 0.07 -0.89 118.68 122.01 2wkp s LEU 598 Ca 0.01 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 2wkp s LEU 598 Cb -0.13 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 2wkp s LEU 598 CO 0.02 -0.04 0.30 0.26 0.23 0.00 0.00 176.35 177.12 2wkp s TRP 599 N 1.27 3.22 0.04 0.29 0.51 0.05 -1.13 118.94 123.19 2wkp s TRP 599 Ca 0.02 -0.24 -0.18 0.00 -2.12 0.00 0.00 56.10 53.59 2wkp s TRP 599 Cb -0.14 -2.58 -0.06 0.00 -0.81 0.00 0.00 33.47 29.87 2wkp s TRP 599 CO -0.11 -0.45 0.51 0.34 -0.51 0.00 0.00 176.95 176.73 2wkp s ASP 600 N 1.72 6.96 0.28 2.95 2.15 0.67 -1.35 116.67 130.06 2wkp s ASP 600 Ca 0.08 1.14 0.02 0.00 0.43 0.00 0.00 52.55 54.22 2wkp s ASP 600 Cb -0.17 -2.32 -0.05 0.00 -0.30 0.00 0.00 42.92 40.08 2wkp s ASP 600 CO 0.11 0.29 0.09 0.42 -0.17 0.00 0.00 175.17 175.91 2wkp s THR 601 N -1.05 0.70 -0.12 1.71 -4.23 -1.22 -2.00 115.64 109.43 2wkp s THR 601 Ca 0.27 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.56 2wkp s THR 601 Cb -0.18 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 2wkp s THR 601 CO 0.17 0.00 0.63 0.00 -0.54 0.00 0.00 174.62 174.88 2wkp s ALA 602 N -3.61 3.44 -0.04 3.99 0.00 -1.02 -4.81 121.76 119.70 2wkp s ALA 602 Ca 0.37 -0.06 0.23 0.00 0.00 0.00 0.00 51.96 52.50 2wkp s ALA 602 Cb 0.08 -2.90 0.68 0.00 0.00 0.00 0.00 23.12 20.98 2wkp s ALA 602 CO 0.14 -0.24 1.72 0.78 0.00 0.00 0.00 175.76 178.17 2wkp h GLY 603 N 7.26 0.00 -4.07 0.00 0.00 -1.83 -3.47 103.07 100.96 2wkp h GLY 603 Ca -0.38 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.43 2wkp h GLY 603 CO 0.76 0.00 0.70 1.08 0.00 0.00 0.00 176.54 179.09 2wkp s LEU 604 N -6.52 4.40 0.40 3.11 1.43 -1.26 -3.91 118.68 116.33 2wkp s LEU 604 Ca 0.03 2.69 0.07 0.00 -1.03 0.00 0.00 54.13 55.88 2wkp s LEU 604 Cb 0.08 -3.64 0.84 0.00 0.03 0.00 0.00 46.19 43.51 2wkp s LEU 604 CO 0.65 -0.63 2.04 -0.08 0.23 0.00 0.00 176.35 178.57 2wkp h GLU 605 N 4.22 0.57 0.00 1.70 4.81 -2.00 -0.56 114.58 123.32 2wkp h GLU 605 Ca -0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2wkp h GLU 605 Cb 1.22 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2wkp h GLU 605 CO 0.72 0.38 0.00 -0.25 -0.73 0.00 0.00 179.01 179.12 2wkp n ASP 606 N -4.47 0.00 -0.98 1.04 8.00 -1.26 -0.72 116.55 118.15 2wkp n ASP 606 Ca 0.04 0.15 0.10 0.00 0.71 0.00 0.00 54.79 55.80 2wkp n ASP 606 Cb 0.09 -0.29 0.27 0.00 -0.02 0.00 0.00 41.12 41.16 2wkp n ASP 606 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wkp n TYR 607 N -1.29 0.55 -0.06 1.24 4.01 -0.22 -4.57 117.16 116.83 2wkp n TYR 607 Ca 0.05 -0.28 0.12 0.00 -0.16 0.00 0.00 57.90 57.63 2wkp n TYR 607 Cb 0.08 0.00 0.52 0.00 -0.31 0.00 0.00 39.34 39.62 2wkp n TYR 607 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2wkp h ASP 608 N 3.50 0.33 1.44 7.72 3.32 -1.05 -0.71 116.42 130.97 2wkp h ASP 608 Ca 0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 2wkp h ASP 608 Cb 0.78 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2wkp h ASP 608 CO 0.00 0.20 -0.27 0.03 -1.72 0.00 0.00 179.24 177.48 2wkp h ARG 609 N 0.37 0.00 0.07 3.56 3.08 -1.83 -3.34 114.38 116.30 2wkp h ARG 609 Ca 0.26 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.95 2wkp h ARG 609 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 2wkp h ARG 609 CO -0.07 0.27 -2.13 1.28 -1.07 0.00 0.00 179.97 178.26 2wkp n LEU 610 N -3.23 2.43 -0.28 3.04 4.77 -0.63 -4.56 117.00 118.55 2wkp n LEU 610 Ca 0.02 0.12 0.09 0.00 -0.03 0.00 0.00 56.01 56.21 2wkp n LEU 610 Cb 0.57 -0.85 0.23 0.00 -2.33 0.00 0.00 43.42 41.04 2wkp n LEU 610 CO 0.36 0.82 0.89 -0.09 -1.33 0.00 0.00 177.39 178.04 2wkp h ARG 611 N 0.04 0.17 0.00 3.23 2.43 -1.29 -0.26 114.38 118.71 2wkp h ARG 611 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2wkp h ARG 611 Cb 2.01 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 2wkp h ARG 611 CO 0.03 0.11 0.00 -2.30 -1.51 0.00 0.00 179.97 176.31 2wkp n PRO 612 N -5.27 0.07 0.26 0.20 -0.02 -1.26 -1.62 135.00 127.36 2wkp n PRO 612 Ca 0.18 0.25 0.15 0.00 -2.02 0.00 0.00 63.50 62.07 2wkp n PRO 612 Cb 0.58 -1.50 0.87 0.00 -0.02 0.00 0.00 33.50 33.43 2wkp n PRO 612 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wkp h LEU 613 N 0.00 0.00 0.00 2.45 3.38 -1.33 -0.87 115.31 118.95 2wkp h LEU 613 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wkp h LEU 613 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2wkp h LEU 613 CO 0.00 0.00 -0.07 -1.54 0.09 0.00 0.00 178.44 176.92 2wkp n SER 614 N -3.89 0.08 0.10 -0.43 3.41 -0.64 -4.46 113.62 107.79 2wkp n SER 614 Ca -0.01 0.40 -0.17 0.00 -0.26 0.00 0.00 58.87 58.83 2wkp n SER 614 Cb 0.17 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 63.57 2wkp n SER 614 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2wkp h TYR 615 N 0.00 0.52 -3.14 7.33 0.05 -1.34 -3.45 116.97 116.95 2wkp h TYR 615 Ca 0.00 -0.38 -0.56 0.00 0.05 0.00 0.00 58.73 57.84 2wkp h TYR 615 Cb 0.51 -0.02 0.09 0.00 1.01 0.00 0.00 36.73 38.32 2wkp h TYR 615 CO 0.00 1.32 0.69 -2.30 -1.05 0.00 0.00 178.16 176.82 2wkp n PRO 616 N -3.53 2.34 -1.18 4.88 -0.02 -1.26 -2.04 135.00 134.19 2wkp n PRO 616 Ca -0.11 0.83 -0.06 0.00 -2.02 0.00 0.00 63.50 62.14 2wkp n PRO 616 Cb 1.03 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 2wkp n PRO 616 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wkp n GLN 617 N 1.59 -0.71 -2.24 -0.52 1.13 -1.26 -4.99 117.38 110.37 2wkp n GLN 617 Ca 0.08 0.63 -0.41 0.00 -1.94 0.00 0.00 57.00 55.36 2wkp n GLN 617 Cb 0.35 -4.44 -0.03 0.00 0.11 0.00 0.00 30.24 26.23 2wkp n GLN 617 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2wkp s THR 618 N -2.09 2.99 -0.09 5.09 2.01 -0.87 -4.77 115.64 117.91 2wkp s THR 618 Ca 0.00 1.00 0.12 0.00 0.31 0.00 0.00 61.69 63.11 2wkp s THR 618 Cb 0.00 -3.63 -0.24 0.00 0.01 0.00 0.00 72.50 68.64 2wkp s THR 618 CO 0.00 0.24 0.49 0.47 -0.69 0.00 0.00 174.62 175.13 2wkp n ASP 619 N 0.99 0.85 -3.63 3.53 8.00 0.34 -4.96 116.55 121.67 2wkp n ASP 619 Ca -0.00 0.30 -0.14 0.00 0.71 0.00 0.00 54.79 55.65 2wkp n ASP 619 Cb 0.43 0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 2wkp n ASP 619 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wkp s VAL 620 N -2.57 0.00 -0.09 2.53 0.11 -1.02 -4.28 120.40 115.08 2wkp s VAL 620 Ca -0.08 -0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 2wkp s VAL 620 Cb 0.07 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2wkp s VAL 620 CO 0.81 -0.00 0.00 -0.36 -3.33 0.00 0.00 175.10 172.23 2wkp s PHE 621 N 0.22 3.16 -0.28 1.54 0.08 -0.46 -1.85 117.98 120.39 2wkp s PHE 621 Ca -0.01 0.18 -0.09 0.00 0.12 0.00 0.00 56.93 57.12 2wkp s PHE 621 Cb -0.04 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 2wkp s PHE 621 CO 0.02 0.45 0.14 -0.51 -0.10 0.00 0.00 175.22 175.22 2wkp s LEU 622 N -0.81 3.90 -0.27 -0.37 1.43 -0.35 -0.57 118.68 121.62 2wkp s LEU 622 Ca 0.12 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 2wkp s LEU 622 Cb -0.11 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 2wkp s LEU 622 CO 0.02 -0.11 0.22 -0.63 0.23 0.00 0.00 176.35 176.08 2wkp s ILE 623 N 1.66 5.29 0.02 -0.59 1.01 -0.25 -1.18 121.20 127.17 2wkp s ILE 623 Ca 0.06 0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.99 2wkp s ILE 623 Cb -0.16 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2wkp s ILE 623 CO 0.07 0.25 -0.06 0.00 0.00 0.00 0.00 174.94 175.20 2wkp s PHE 625 N -1.06 0.13 0.00 0.00 -0.71 -0.49 -4.10 117.98 111.76 2wkp s PHE 625 Ca 0.19 -0.40 -0.27 0.00 -1.04 0.00 0.00 56.93 55.40 2wkp s PHE 625 Cb -0.11 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 2wkp s PHE 625 CO 0.09 -0.39 0.87 0.45 -1.34 0.00 0.00 175.22 174.90 2wkp s SER 626 N -2.10 7.26 0.17 1.98 0.15 -1.26 -0.76 113.70 119.14 2wkp s SER 626 Ca -0.05 1.51 0.17 0.00 0.70 0.00 0.00 55.95 58.29 2wkp s SER 626 Cb -0.01 -2.51 0.79 0.00 -1.71 0.00 0.00 66.02 62.58 2wkp s SER 626 CO -0.04 -0.16 1.53 0.18 1.20 0.00 0.00 173.24 175.95 2wkp n LEU 627 N 3.57 0.39 -0.75 3.45 4.77 -0.48 -1.62 117.00 126.34 2wkp n LEU 627 Ca 0.02 0.63 0.08 0.00 -0.03 0.00 0.00 56.01 56.71 2wkp n LEU 627 Cb 0.51 -0.61 0.23 0.00 -2.33 0.00 0.00 43.42 41.21 2wkp n LEU 627 CO 0.50 -0.58 0.68 1.33 -1.33 0.00 0.00 177.39 177.99 2wkp n VAL 628 N -1.96 2.03 -3.72 4.08 0.24 -1.26 -0.56 118.33 117.18 2wkp n VAL 628 Ca 0.01 -1.77 -0.30 0.00 -2.04 0.00 0.00 64.34 60.24 2wkp n VAL 628 Cb 0.13 -0.13 -0.14 0.00 -1.47 0.00 0.00 33.84 32.24 2wkp n VAL 628 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wkp s SER 629 N -1.88 3.85 0.52 -1.34 0.15 -0.64 -4.96 113.70 109.40 2wkp s SER 629 Ca 0.37 -2.08 0.21 0.00 0.70 0.00 0.00 55.95 55.16 2wkp s SER 629 Cb 0.30 -0.94 1.33 0.00 -1.71 0.00 0.00 66.02 65.00 2wkp s SER 629 CO 0.09 -0.35 2.04 -0.65 1.20 0.00 0.00 173.24 175.57 2wkp h PRO 630 N 7.47 0.03 -0.57 5.44 0.11 -1.86 -1.33 132.00 141.30 2wkp h PRO 630 Ca -0.07 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 2wkp h PRO 630 Cb 0.98 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2wkp h PRO 630 CO 0.47 0.02 0.33 0.00 -0.21 0.00 0.00 178.00 178.61 2wkp h ALA 631 N 1.81 0.73 -0.10 -0.75 0.00 -1.94 -0.72 119.26 118.29 2wkp h ALA 631 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2wkp h ALA 631 Cb 0.66 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wkp h ALA 631 CO -0.01 0.22 -0.09 0.66 0.00 0.00 0.00 179.25 180.04 2wkp h SER 632 N 0.77 0.14 -0.04 0.00 4.64 -1.58 -0.84 113.55 116.64 2wkp h SER 632 Ca 0.20 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 2wkp h SER 632 Cb 0.01 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2wkp h SER 632 CO -0.04 0.25 -0.06 0.15 -0.87 0.00 0.00 176.83 176.27 2wkp h PHE 633 N 0.15 0.14 -0.40 4.77 3.57 -1.10 -3.06 116.94 121.00 2wkp h PHE 633 Ca 0.03 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2wkp h PHE 633 Cb 0.26 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2wkp h PHE 633 CO 0.00 0.64 0.27 0.45 -2.23 0.00 0.00 178.31 177.44 2wkp h HIS 634 N -0.40 0.36 0.00 0.41 3.86 -0.79 -0.68 115.15 117.91 2wkp h HIS 634 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2wkp h HIS 634 Cb 0.63 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2wkp h HIS 634 CO 0.11 0.21 0.00 0.45 0.86 0.00 0.00 177.93 179.56 2wkp h HIS 635 N 0.37 0.00 0.27 2.45 3.86 -1.07 -2.26 115.15 118.79 2wkp h HIS 635 Ca 0.17 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2wkp h HIS 635 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2wkp h HIS 635 CO -0.00 0.00 -0.14 0.28 0.86 0.00 0.00 177.93 178.93 2wkp h VAL 636 N 0.00 0.71 -0.39 2.45 2.07 -1.05 0.12 116.25 120.17 2wkp h VAL 636 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 2wkp h VAL 636 Cb 0.41 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2wkp h VAL 636 CO 0.00 0.00 -0.26 -0.09 0.02 0.00 0.00 177.57 177.24 2wkp h ARG 637 N -0.38 0.86 0.00 1.57 2.43 -1.59 -0.72 114.38 116.55 2wkp h ARG 637 Ca -0.04 -0.41 -0.20 0.00 -0.81 0.00 0.00 59.98 58.53 2wkp h ARG 637 Cb 0.30 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2wkp h ARG 637 CO 0.06 1.05 -1.09 0.00 -1.51 0.00 0.00 179.97 178.48 2wkp h ALA 638 N 0.79 0.53 0.00 2.80 0.00 -1.36 -3.40 119.26 118.63 2wkp h ALA 638 Ca 0.08 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2wkp h ALA 638 Cb 0.83 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2wkp h ALA 638 CO 0.07 1.16 -0.26 1.17 0.00 0.00 0.00 179.25 181.39 2wkp n LYS 639 N -3.22 0.00 -0.03 0.00 4.81 0.30 -4.79 118.16 115.24 2wkp n LYS 639 Ca -0.04 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.27 2wkp n LYS 639 Cb 0.91 -0.31 -0.09 0.00 0.02 0.00 0.00 35.03 35.56 2wkp n LYS 639 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2wkp h TRP 640 N 0.00 0.12 0.06 5.64 4.06 -1.14 -1.07 115.95 123.61 2wkp h TRP 640 Ca 0.00 -0.04 0.01 0.00 2.06 0.00 0.00 58.89 60.93 2wkp h TRP 640 Cb 0.26 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 2wkp h TRP 640 CO 0.00 0.59 -0.14 -0.92 -3.56 0.00 0.00 178.44 174.41 2wkp h TYR 641 N -0.38 -0.35 -0.80 0.49 3.20 -1.37 -0.45 116.97 117.31 2wkp h TYR 641 Ca 0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2wkp h TYR 641 Cb 0.57 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 2wkp h TYR 641 CO 0.10 -0.21 0.41 -1.35 -1.64 0.00 0.00 178.16 175.48 2wkp h PRO 642 N -0.26 1.12 -0.26 1.82 0.11 -1.77 -0.92 132.00 131.84 2wkp h PRO 642 Ca 0.03 -0.14 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 2wkp h PRO 642 Cb 0.29 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2wkp h PRO 642 CO -0.09 0.84 0.02 1.49 -0.21 0.00 0.00 178.00 180.04 2wkp h GLU 643 N 1.12 0.45 -0.34 1.05 4.81 -0.92 -0.66 114.58 120.09 2wkp h GLU 643 Ca 0.28 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2wkp h GLU 643 Cb 0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2wkp h GLU 643 CO -0.04 0.60 0.20 0.28 -0.73 0.00 0.00 179.01 179.32 2wkp h VAL 644 N 0.24 1.13 0.00 0.32 2.07 -0.93 -2.78 116.25 116.30 2wkp h VAL 644 Ca 0.08 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2wkp h VAL 644 Cb 0.39 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2wkp h VAL 644 CO 0.01 0.13 -0.37 0.03 0.02 0.00 0.00 177.57 177.39 2wkp h ARG 645 N 0.44 0.00 -0.90 1.57 2.47 -1.07 0.21 114.38 117.10 2wkp h ARG 645 Ca 0.12 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 2wkp h ARG 645 Cb 0.04 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.32 2wkp h ARG 645 CO -0.02 0.37 0.51 1.25 0.56 0.00 0.00 179.97 182.64 2wkp h HIS 646 N 0.00 1.22 0.06 3.04 2.76 -0.84 -3.00 115.15 118.39 2wkp h HIS 646 Ca -0.00 -0.02 -0.32 0.00 -2.20 0.00 0.00 60.37 57.82 2wkp h HIS 646 Cb 0.71 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 29.25 2wkp h HIS 646 CO 0.00 0.84 -1.81 0.45 -1.30 0.00 0.00 177.93 176.10 2wkp h HIS 647 N 1.25 0.25 -2.43 5.26 3.86 -1.32 -3.44 115.15 118.58 2wkp h HIS 647 Ca 0.32 -0.18 -0.59 0.00 -1.16 0.00 0.00 60.37 58.76 2wkp h HIS 647 Cb 0.00 -0.01 -0.39 0.00 1.06 0.00 0.00 27.41 28.08 2wkp h HIS 647 CO 0.01 1.37 -0.92 0.00 0.86 0.00 0.00 177.93 179.25 2wkp h PRO 649 N 5.41 0.00 -0.02 0.00 0.11 -1.74 -3.15 132.00 132.60 2wkp h PRO 649 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2wkp h PRO 649 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2wkp h PRO 649 CO 0.44 0.09 0.00 0.09 -0.21 0.00 0.00 178.00 178.41 2wkp n ASN 650 N -3.70 1.50 -4.72 -2.05 5.03 -1.26 -4.99 115.26 105.07 2wkp n ASN 650 Ca -0.02 -1.29 -0.41 0.00 0.87 0.00 0.00 54.58 53.73 2wkp n ASN 650 Cb 0.20 -0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 38.90 2wkp n ASN 650 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2wkp s THR 651 N -0.45 4.54 0.37 3.41 2.01 -1.19 -5.00 115.64 119.33 2wkp s THR 651 Ca 0.06 2.03 -0.28 0.00 0.31 0.00 0.00 61.69 63.80 2wkp s THR 651 Cb 0.04 -4.29 -0.11 0.00 0.01 0.00 0.00 72.50 68.14 2wkp s THR 651 CO 0.06 0.27 1.49 -2.65 -0.69 0.00 0.00 174.62 173.10 2wkp n PRO 652 N 3.06 2.66 -5.17 4.92 -0.02 -1.26 -4.84 135.00 134.35 2wkp n PRO 652 Ca 0.03 0.93 -0.32 0.00 -2.02 0.00 0.00 63.50 62.13 2wkp n PRO 652 Cb 0.49 -2.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 2wkp n PRO 652 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wkp s ILE 653 N -1.04 2.30 -0.17 4.25 1.01 -1.26 -1.35 121.20 124.93 2wkp s ILE 653 Ca 0.54 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 2wkp s ILE 653 Cb -0.48 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 2wkp s ILE 653 CO 0.63 0.57 -0.02 -0.63 0.00 0.00 0.00 174.94 175.48 2wkp s ILE 654 N -0.22 3.92 -0.19 2.92 1.01 0.26 -1.02 121.20 127.88 2wkp s ILE 654 Ca -0.01 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.08 2wkp s ILE 654 Cb -0.13 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 2wkp s ILE 654 CO 0.03 0.47 0.64 -0.22 0.00 0.00 0.00 174.94 175.87 2wkp s LEU 655 N 0.56 4.16 -0.17 2.97 2.96 -0.55 -1.09 118.68 127.52 2wkp s LEU 655 Ca -0.02 0.88 0.01 0.00 -0.22 0.00 0.00 54.13 54.78 2wkp s LEU 655 Cb -0.14 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.65 2wkp s LEU 655 CO 0.02 -0.26 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.90 2wkp s VAL 656 N 1.82 2.06 -0.22 1.68 1.01 0.43 -1.07 120.40 126.10 2wkp s VAL 656 Ca 0.30 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 2wkp s VAL 656 Cb -0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2wkp s VAL 656 CO 0.11 0.54 0.48 -0.83 0.00 0.00 0.00 175.10 175.40 2wkp s GLY 657 N 1.18 2.00 0.47 4.51 0.00 0.27 -1.39 107.32 114.36 2wkp s GLY 657 Ca 0.02 -0.52 0.08 0.00 0.00 0.00 0.00 44.72 44.30 2wkp s GLY 657 CO -0.10 1.05 0.49 -0.51 0.00 0.00 0.00 173.10 174.02 2wkp s THR 658 N 1.76 2.40 -1.46 0.90 -4.23 0.06 -1.07 115.64 114.01 2wkp s THR 658 Ca 0.21 -1.26 -0.07 0.00 -1.18 0.00 0.00 61.69 59.39 2wkp s THR 658 Cb -0.15 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.03 2wkp s THR 658 CO 0.09 0.00 0.91 0.29 -0.54 0.00 0.00 174.62 175.37 2wkp n LYS 659 N -1.76 -6.51 -0.20 3.99 5.02 -0.97 -1.38 118.16 116.35 2wkp n LYS 659 Ca 0.05 0.87 0.20 0.00 -2.02 0.00 0.00 58.31 57.41 2wkp n LYS 659 Cb 0.62 -5.83 0.55 0.00 -0.02 0.00 0.00 35.03 30.34 2wkp n LYS 659 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2wkp h LEU 660 N -2.08 0.32 -2.21 -0.35 5.85 -1.45 0.01 115.31 115.40 2wkp h LEU 660 Ca -0.55 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 2wkp h LEU 660 Cb 1.37 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2wkp h LEU 660 CO 0.57 0.14 -0.05 -2.24 -0.34 0.00 0.00 178.44 176.51 2wkp h ASP 661 N 0.33 0.00 0.73 1.25 2.03 -1.90 -2.45 116.42 116.40 2wkp h ASP 661 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 2wkp h ASP 661 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 2wkp h ASP 661 CO -0.13 0.05 -0.53 0.18 -1.03 0.00 0.00 179.24 177.78 2wkp n LEU 662 N -3.46 0.57 0.24 0.15 4.77 -0.01 -3.92 117.00 115.34 2wkp n LEU 662 Ca -0.02 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.20 2wkp n LEU 662 Cb 0.18 -0.23 0.61 0.00 -2.33 0.00 0.00 43.42 41.65 2wkp n LEU 662 CO 0.27 0.02 0.95 -0.09 -1.33 0.00 0.00 177.39 177.21 2wkp h ARG 663 N 0.00 0.00 -0.35 3.23 2.43 -1.50 -1.66 114.38 116.53 2wkp h ARG 663 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wkp h ARG 663 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2wkp h ARG 663 CO 0.00 0.14 0.00 -0.25 -1.51 0.00 0.00 179.97 178.35 2wkp n ASP 664 N -4.09 2.97 -4.67 -3.80 8.00 -1.26 -4.87 116.55 108.84 2wkp n ASP 664 Ca -0.02 -1.91 -0.43 0.00 0.71 0.00 0.00 54.79 53.14 2wkp n ASP 664 Cb 0.22 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 2wkp n ASP 664 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wkp s ASP 665 N -1.05 6.95 0.14 -2.24 2.15 -0.62 -4.94 116.67 117.06 2wkp s ASP 665 Ca 0.27 1.80 -0.18 0.00 0.43 0.00 0.00 52.55 54.87 2wkp s ASP 665 Cb 0.15 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2wkp s ASP 665 CO 0.20 -0.71 1.74 0.50 -0.17 0.00 0.00 175.17 176.73 2wkp h LYS 666 N 8.00 0.16 -0.80 4.34 3.64 -1.93 -0.34 116.57 129.63 2wkp h LYS 666 Ca -0.31 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 2wkp h LYS 666 Cb 1.13 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 2wkp h LYS 666 CO 0.93 0.10 0.41 -0.44 -2.27 0.00 0.00 179.45 178.19 2wkp h ASP 667 N 0.16 1.03 -0.46 4.20 3.32 -1.96 -1.26 116.42 121.46 2wkp h ASP 667 Ca 0.12 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2wkp h ASP 667 Cb 0.11 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2wkp h ASP 667 CO -0.15 0.86 0.12 0.74 -1.72 0.00 0.00 179.24 179.10 2wkp h THR 668 N 1.13 1.23 -0.73 0.35 2.02 -1.74 0.89 112.91 116.06 2wkp h THR 668 Ca 0.28 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 2wkp h THR 668 Cb 0.08 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2wkp h THR 668 CO -0.04 0.28 0.28 0.40 0.37 0.00 0.00 175.52 176.81 2wkp h ILE 669 N 0.62 1.25 -0.40 3.11 2.04 -0.80 -0.24 117.51 123.09 2wkp h ILE 669 Ca 0.15 -0.79 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 2wkp h ILE 669 Cb 0.30 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2wkp h ILE 669 CO -0.00 0.32 -0.19 -0.08 0.00 0.00 0.00 178.15 178.20 2wkp h GLU 670 N 1.06 0.83 -0.51 2.37 4.81 -0.88 0.04 114.58 122.30 2wkp h GLU 670 Ca 0.24 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2wkp h GLU 670 Cb 0.22 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2wkp h GLU 670 CO -0.02 0.99 0.21 0.87 -0.73 0.00 0.00 179.01 180.33 2wkp h LYS 671 N 0.64 0.76 -0.94 1.92 1.57 -0.46 -1.84 116.57 118.21 2wkp h LYS 671 Ca 0.09 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2wkp h LYS 671 Cb 0.74 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 2wkp h LYS 671 CO 0.06 0.67 0.63 -0.07 -0.57 0.00 0.00 179.45 180.16 2wkp h LEU 672 N 0.69 1.08 -1.01 2.94 3.38 -0.87 -2.47 115.31 119.05 2wkp h LEU 672 Ca 0.17 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2wkp h LEU 672 Cb 0.19 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2wkp h LEU 672 CO -0.01 0.77 0.65 0.50 0.09 0.00 0.00 178.44 180.44 2wkp h LYS 673 N 1.27 1.31 -0.53 1.13 3.64 -0.43 0.33 116.57 123.29 2wkp h LYS 673 Ca 0.35 -0.09 0.12 0.00 -1.27 0.00 0.00 60.65 59.76 2wkp h LYS 673 Cb -0.13 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.37 2wkp h LYS 673 CO -0.08 0.88 0.37 0.93 -2.27 0.00 0.00 179.45 179.27 2wkp h GLU 674 N 1.35 0.20 -0.19 1.90 5.08 -0.88 0.00 114.58 122.04 2wkp h GLU 674 Ca 0.36 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2wkp h GLU 674 Cb -0.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2wkp h GLU 674 CO -0.08 0.13 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 2wkp n LYS 675 N -4.44 1.86 -2.90 2.33 5.02 -0.07 -4.91 118.16 115.04 2wkp n LYS 675 Ca 0.09 -1.29 -0.16 0.00 -2.02 0.00 0.00 58.31 54.93 2wkp n LYS 675 Cb 0.46 -1.42 0.03 0.00 -0.02 0.00 0.00 35.03 34.09 2wkp n LYS 675 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wkp n LYS 676 N 0.52 -3.95 -4.47 1.97 5.02 -0.01 -5.03 118.16 112.21 2wkp n LYS 676 Ca 0.17 0.63 -0.22 0.00 -2.02 0.00 0.00 58.31 56.86 2wkp n LYS 676 Cb 0.38 -4.92 -0.10 0.00 -0.02 0.00 0.00 35.03 30.36 2wkp n LYS 676 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wkp s LEU 677 N -4.97 2.16 0.09 -0.35 1.43 -0.18 -5.00 118.68 111.86 2wkp s LEU 677 Ca 0.26 -1.42 -0.05 0.00 -1.03 0.00 0.00 54.13 51.89 2wkp s LEU 677 Cb -0.11 -0.36 -0.02 0.00 0.03 0.00 0.00 46.19 45.72 2wkp s LEU 677 CO 0.32 -0.65 0.10 0.28 0.23 0.00 0.00 176.35 176.63 2wkp s THR 678 N -3.27 0.16 0.81 5.49 -1.32 -1.26 -3.40 115.64 112.85 2wkp s THR 678 Ca 0.34 -1.53 -0.13 0.00 -1.21 0.00 0.00 61.69 59.16 2wkp s THR 678 Cb 0.08 -1.55 0.09 0.00 -1.51 0.00 0.00 72.50 69.60 2wkp s THR 678 CO 0.15 -0.72 1.19 -2.84 -2.21 0.00 0.00 174.62 170.19 2wkp s PRO 679 N -3.92 1.61 0.11 7.08 0.02 -1.26 -4.78 135.00 133.86 2wkp s PRO 679 Ca 0.10 1.69 -0.30 0.00 0.02 0.00 0.00 61.00 62.50 2wkp s PRO 679 Cb 0.06 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.74 2wkp s PRO 679 CO -0.08 -2.22 1.17 0.42 -0.33 0.00 0.00 177.00 175.96 2wkp s ILE 680 N -2.25 3.93 0.46 2.83 -1.09 0.28 -5.02 121.20 120.33 2wkp s ILE 680 Ca 0.72 1.49 -0.00 0.00 -2.23 0.00 0.00 60.65 60.62 2wkp s ILE 680 Cb -0.27 -3.95 -0.00 0.00 -1.58 0.00 0.00 42.46 36.66 2wkp s ILE 680 CO 0.51 0.17 0.69 0.42 -1.23 0.00 0.00 174.94 175.51 2wkp s THR 681 N 0.52 3.93 0.15 2.92 -4.23 -1.26 -4.91 115.64 112.75 2wkp s THR 681 Ca 0.55 -0.46 -0.17 0.00 -1.18 0.00 0.00 61.69 60.43 2wkp s THR 681 Cb -0.30 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.09 2wkp s THR 681 CO 0.32 -0.33 1.75 0.22 -0.54 0.00 0.00 174.62 176.03 2wkp h TYR 682 N 0.35 0.17 -0.61 3.99 5.03 -1.99 -1.17 116.97 122.73 2wkp h TYR 682 Ca -0.46 0.02 0.02 0.00 2.58 0.00 0.00 58.73 60.88 2wkp h TYR 682 Cb 1.25 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.47 2wkp h TYR 682 CO 0.45 0.07 0.41 -1.35 -1.32 0.00 0.00 178.16 176.42 2wkp h PRO 683 N 0.23 0.77 -0.38 1.82 0.11 -1.99 -0.00 132.00 132.56 2wkp h PRO 683 Ca 0.14 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 2wkp h PRO 683 Cb 0.13 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 2wkp h PRO 683 CO -0.16 0.51 -0.04 1.96 -0.21 0.00 0.00 178.00 180.06 2wkp h GLN 684 N 0.80 0.70 -0.50 1.05 4.20 -1.81 -1.66 115.11 117.89 2wkp h GLN 684 Ca 0.23 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2wkp h GLN 684 Cb -0.04 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2wkp h GLN 684 CO -0.06 0.82 0.20 0.78 -0.67 0.00 0.00 178.83 179.91 2wkp h GLY 685 N 0.51 0.80 0.90 3.46 0.00 -0.75 -1.86 103.07 106.13 2wkp h GLY 685 Ca 0.10 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.03 2wkp h GLY 685 CO 0.03 0.41 0.50 -2.00 0.00 0.00 0.00 176.54 175.48 2wkp h LEU 686 N 0.66 0.84 -0.70 3.11 5.85 -0.97 -0.48 115.31 123.62 2wkp h LEU 686 Ca 0.17 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2wkp h LEU 686 Cb 0.19 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2wkp h LEU 686 CO -0.01 0.59 0.22 0.00 -0.34 0.00 0.00 178.44 178.89 2wkp h ALA 687 N 1.32 0.92 -0.43 1.25 0.00 -1.00 -1.10 119.26 120.23 2wkp h ALA 687 Ca 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2wkp h ALA 687 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2wkp h ALA 687 CO -0.10 0.60 0.21 1.98 0.00 0.00 0.00 179.25 181.94 2wkp h MET 688 N 1.03 0.61 -0.48 0.00 1.85 -1.00 -0.71 114.93 116.22 2wkp h MET 688 Ca 0.23 -0.08 0.08 0.00 -0.61 0.00 0.00 59.70 59.31 2wkp h MET 688 Cb 0.31 -0.11 -0.07 0.00 0.43 0.00 0.00 31.60 32.16 2wkp h MET 688 CO -0.01 0.51 0.10 0.00 -0.40 0.00 0.00 176.91 177.12 2wkp h ALA 689 N 1.06 0.54 -0.80 0.39 0.00 -0.59 -1.57 119.26 118.29 2wkp h ALA 689 Ca 0.15 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2wkp h ALA 689 Cb 0.10 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2wkp h ALA 689 CO -0.02 -0.31 0.33 0.87 0.00 0.00 0.00 179.25 180.13 2wkp h LYS 690 N 0.24 1.18 -0.88 0.00 1.57 -0.99 0.37 116.57 118.06 2wkp h LYS 690 Ca 0.24 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2wkp h LYS 690 Cb 0.32 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 2wkp h LYS 690 CO -0.31 0.94 0.58 1.49 -0.57 0.00 0.00 179.45 181.58 2wkp h GLU 691 N 1.15 1.14 -0.16 3.15 4.81 -0.29 -2.71 114.58 121.67 2wkp h GLU 691 Ca 0.27 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2wkp h GLU 691 Cb 0.19 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2wkp h GLU 691 CO -0.02 0.75 0.00 0.44 -0.73 0.00 0.00 179.01 179.45 2wkp n ILE 692 N -4.49 0.19 -2.19 2.32 -5.35 -0.67 -4.93 119.36 104.24 2wkp n ILE 692 Ca 0.10 -0.48 -0.07 0.00 -0.27 0.00 0.00 62.75 62.04 2wkp n ILE 692 Cb 0.03 0.86 -0.00 0.00 -1.74 0.00 0.00 39.64 38.79 2wkp n ILE 692 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wkp n GLY 693 N 1.30 0.13 3.77 3.28 0.00 -0.63 -5.00 105.19 108.04 2wkp n GLY 693 Ca 0.17 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2wkp n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkp s ALA 694 N -2.40 3.29 0.13 4.61 0.00 0.02 -4.74 121.76 122.68 2wkp s ALA 694 Ca 0.02 0.99 0.22 0.00 0.00 0.00 0.00 51.96 53.19 2wkp s ALA 694 Cb -0.01 -3.38 0.82 0.00 0.00 0.00 0.00 23.12 20.55 2wkp s ALA 694 CO 0.02 -0.43 1.79 -0.39 0.00 0.00 0.00 175.76 176.74 2wkp h VAL 695 N 2.68 0.65 -2.93 0.00 -1.51 -1.40 -3.44 116.25 110.29 2wkp h VAL 695 Ca -0.48 -1.26 -0.12 0.00 -1.23 0.00 0.00 66.70 63.61 2wkp h VAL 695 Cb 1.23 1.83 -0.21 0.00 -2.13 0.00 0.00 31.29 32.01 2wkp h VAL 695 CO 0.64 0.27 -0.24 -0.75 -1.23 0.00 0.00 177.57 176.26 2wkp s LYS 696 N -3.62 0.66 -0.15 5.19 2.47 -1.25 -5.07 119.74 117.97 2wkp s LYS 696 Ca 0.01 -0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.38 2wkp s LYS 696 Cb 0.10 0.30 -0.00 0.00 -1.46 0.00 0.00 37.83 36.77 2wkp s LYS 696 CO 0.65 -0.17 -0.15 -0.47 0.16 0.00 0.00 175.35 175.37 2wkp s TYR 697 N -1.06 2.77 0.04 4.03 5.04 -1.26 -1.49 117.35 125.42 2wkp s TYR 697 Ca -0.11 -0.97 0.02 0.00 -2.44 0.00 0.00 57.07 53.57 2wkp s TYR 697 Cb -0.04 -1.87 -0.02 0.00 0.35 0.00 0.00 41.96 40.37 2wkp s TYR 697 CO 0.04 -0.43 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.23 2wkp s LEU 698 N 0.71 2.21 0.06 6.97 1.43 -0.24 -5.00 118.68 124.83 2wkp s LEU 698 Ca -0.07 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 2wkp s LEU 698 Cb -0.16 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.81 2wkp s LEU 698 CO 0.01 -0.14 -0.21 -1.61 0.23 0.00 0.00 176.35 174.63 2wkp s GLU 699 N -1.34 1.92 0.19 1.70 2.02 -1.26 -0.56 118.70 121.36 2wkp s GLU 699 Ca -0.07 -1.06 -0.18 0.00 0.02 0.00 0.00 54.97 53.67 2wkp s GLU 699 Cb -0.09 -2.10 0.03 0.00 0.10 0.00 0.00 34.13 32.08 2wkp s GLU 699 CO 0.00 0.52 0.53 0.00 0.02 0.00 0.00 175.26 176.33 2wkp s SER 701 N -2.85 2.57 0.43 0.00 0.15 -0.32 -1.30 113.70 112.38 2wkp s SER 701 Ca 0.08 -0.46 0.22 0.00 0.70 0.00 0.00 55.95 56.48 2wkp s SER 701 Cb -0.01 -1.15 0.94 0.00 -1.71 0.00 0.00 66.02 64.09 2wkp s SER 701 CO -0.05 0.00 1.85 0.00 1.20 0.00 0.00 173.24 176.25 2wkp h ALA 702 N 7.56 1.12 0.07 5.45 0.00 -1.89 0.26 119.26 131.82 2wkp h ALA 702 Ca -0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 2wkp h ALA 702 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wkp h ALA 702 CO 0.51 0.34 -0.03 1.25 0.00 0.00 0.00 179.25 181.31 2wkp h LEU 703 N 0.00 -0.08 0.00 0.00 5.85 -1.94 -3.33 115.31 115.81 2wkp h LEU 703 Ca -0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2wkp h LEU 703 Cb 0.69 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2wkp h LEU 703 CO 0.04 0.58 -0.88 0.35 -0.34 0.00 0.00 178.44 178.18 2wkp n THR 704 N -4.81 0.10 -0.90 1.05 -2.24 -1.24 -4.96 114.28 101.28 2wkp n THR 704 Ca -0.08 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2wkp n THR 704 Cb 0.31 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2wkp n THR 704 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wkp n GLN 705 N -1.77 -0.48 -1.68 -0.78 6.02 0.90 -4.97 117.38 114.62 2wkp n GLN 705 Ca 0.03 0.12 -0.45 0.00 -0.01 0.00 0.00 57.00 56.69 2wkp n GLN 705 Cb 0.39 -3.65 -0.04 0.00 1.02 0.00 0.00 30.24 27.97 2wkp n GLN 705 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2wkp n ARG 706 N -1.59 2.51 -0.72 -1.09 0.63 -1.21 -1.68 116.66 113.51 2wkp n ARG 706 Ca 0.00 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 2wkp n ARG 706 Cb 0.12 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 30.24 2wkp n ARG 706 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wkp n GLY 707 N 4.20 1.38 0.15 5.14 0.00 -1.26 -1.17 105.19 113.63 2wkp n GLY 707 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2wkp n GLY 707 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wkp h LEU 708 N 0.00 0.43 -0.83 0.99 5.85 -1.59 -2.90 115.31 117.26 2wkp h LEU 708 Ca 0.00 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 2wkp h LEU 708 Cb 0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2wkp h LEU 708 CO 0.00 0.78 0.51 0.11 -0.34 0.00 0.00 178.44 179.50 2wkp h LYS 709 N 0.09 1.11 -0.61 1.25 1.57 -1.91 -2.35 116.57 115.72 2wkp h LYS 709 Ca 0.04 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2wkp h LYS 709 Cb 0.63 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2wkp h LYS 709 CO 0.03 0.77 0.41 1.15 -0.57 0.00 0.00 179.45 181.24 2wkp h THR 710 N 1.13 1.15 -0.28 -0.16 2.02 -1.92 -1.41 112.91 113.43 2wkp h THR 710 Ca 0.30 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 67.25 2wkp h THR 710 Cb -0.07 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 66.55 2wkp h THR 710 CO -0.06 0.15 -0.02 0.58 0.37 0.00 0.00 175.52 176.54 2wkp h VAL 711 N 0.82 0.77 0.09 3.16 2.07 -1.21 0.28 116.25 122.23 2wkp h VAL 711 Ca 0.23 -0.02 -0.26 0.00 0.82 0.00 0.00 66.70 67.47 2wkp h VAL 711 Cb -0.09 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2wkp h VAL 711 CO -0.05 0.01 -1.16 -0.26 0.02 0.00 0.00 177.57 176.13 2wkp h PHE 712 N 0.06 0.40 -0.33 1.57 0.04 -1.54 -0.70 116.94 116.44 2wkp h PHE 712 Ca 0.14 -0.28 0.04 0.00 2.80 0.00 0.00 57.97 60.66 2wkp h PHE 712 Cb 0.19 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 2wkp h PHE 712 CO -0.24 1.21 0.11 0.22 -0.60 0.00 0.00 178.31 179.01 2wkp h ASP 713 N 0.07 0.11 0.21 2.17 3.58 -1.13 -1.35 116.42 120.08 2wkp h ASP 713 Ca -0.10 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.27 2wkp h ASP 713 Cb 1.89 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.96 2wkp h ASP 713 CO 0.18 0.10 -0.42 -0.33 -2.88 0.00 0.00 179.24 175.89 2wkp h GLU 714 N 0.25 0.28 -0.50 0.28 4.39 -0.85 -1.41 114.58 117.01 2wkp h GLU 714 Ca 0.15 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.73 2wkp h GLU 714 Cb 0.12 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2wkp h GLU 714 CO -0.16 0.65 0.31 0.00 -1.16 0.00 0.00 179.01 178.66 2wkp h ALA 715 N 1.33 0.64 -0.29 3.43 0.00 -0.80 -0.04 119.26 123.53 2wkp h ALA 715 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2wkp h ALA 715 Cb 0.84 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2wkp h ALA 715 CO 0.07 0.03 0.08 0.82 0.00 0.00 0.00 179.25 180.24 2wkp h ILE 716 N 0.62 1.21 -0.07 0.00 2.04 -0.99 -2.92 117.51 117.40 2wkp h ILE 716 Ca 0.20 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2wkp h ILE 716 Cb -0.01 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2wkp h ILE 716 CO -0.07 0.23 -0.03 0.03 0.00 0.00 0.00 178.15 178.30 2wkp h ARG 717 N 0.31 0.10 0.00 2.37 3.08 -1.02 0.20 114.38 119.42 2wkp h ARG 717 Ca 0.09 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2wkp h ARG 717 Cb 0.27 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 2wkp h ARG 717 CO -0.00 0.14 -0.09 0.00 -1.07 0.00 0.00 179.97 178.95 2wkp h ALA 718 N 1.87 1.32 0.02 0.04 0.00 -0.80 0.30 119.26 122.01 2wkp h ALA 718 Ca 0.02 -0.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 2wkp h ALA 718 Cb 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2wkp h ALA 718 CO 0.00 0.12 -1.95 0.28 0.00 0.00 0.00 179.25 177.70 2wkp n VAL 719 N -3.67 1.56 0.06 0.00 0.31 -0.45 -4.25 118.33 111.88 2wkp n VAL 719 Ca -0.02 -0.30 -0.08 0.00 -0.01 0.00 0.00 64.34 63.93 2wkp n VAL 719 Cb 0.21 -1.88 -0.12 0.00 -0.91 0.00 0.00 33.84 31.13 2wkp n VAL 719 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wkp h LEU 720 N -0.75 0.04 -5.13 7.52 3.38 -0.93 -3.37 115.31 116.07 2wkp h LEU 720 Ca -0.51 -0.05 -0.57 0.00 0.09 0.00 0.00 57.88 56.84 2wkp h LEU 720 Cb 1.58 -0.01 -0.42 0.00 0.09 0.00 0.00 40.66 41.90 2wkp h LEU 720 CO -0.24 1.04 -0.75 0.00 0.09 0.00 0.00 178.44 178.58 2wkp s PRO 722 N -3.37 3.94 0.00 0.00 0.02 -1.25 -4.73 135.00 129.61 2wkp s PRO 722 Ca 0.47 1.56 0.20 0.00 0.02 0.00 0.00 61.00 63.25 2wkp s PRO 722 Cb 0.33 -3.93 1.19 0.00 0.02 0.00 0.00 34.50 32.11 2wkp s PRO 722 CO -0.14 -1.10 1.58 -2.30 -0.33 0.00 0.00 177.00 174.71