#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgj s SER 408 N 0.00 7.11 -0.11 4.31 0.15 -1.26 -4.96 113.70 118.94 1kgj s SER 408 Ca 0.00 2.10 -0.18 0.00 0.70 0.00 0.00 55.95 58.58 1kgj s SER 408 Cb 0.00 -2.59 -0.27 0.00 -1.71 0.00 0.00 66.02 61.45 1kgj s SER 408 CO 0.00 -0.40 0.57 0.11 1.20 0.00 0.00 173.24 174.73 1kgj h LYS 409 N 6.00 0.22 -6.37 5.44 1.79 -2.00 -3.44 116.57 118.21 1kgj h LYS 409 Ca -0.43 -0.37 -0.55 0.00 -2.18 0.00 0.00 60.65 57.13 1kgj h LYS 409 Cb 1.21 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.98 1kgj h LYS 409 CO 0.78 1.18 0.57 0.00 -1.08 0.00 0.00 179.45 180.89 1kgj h PRO 411 N 7.09 -0.21 -3.88 0.00 0.11 -1.89 -3.40 132.00 129.82 1kgj h PRO 411 Ca -0.37 0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.25 1kgj h PRO 411 Cb 1.18 0.05 -0.38 0.00 0.11 0.00 0.00 31.00 31.96 1kgj h PRO 411 CO 0.83 -0.14 -0.78 -1.17 -0.21 0.00 0.00 178.00 176.53 1kgj s LEU 412 N -10.56 1.14 0.03 2.35 2.96 -1.26 0.15 118.68 113.48 1kgj s LEU 412 Ca -0.15 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.34 1kgj s LEU 412 Cb 0.13 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 1kgj s LEU 412 CO 0.68 -0.21 -0.17 -0.32 -1.32 0.00 0.00 176.35 175.01 1kgj s MET 413 N 1.80 1.22 -0.08 1.98 -2.45 -1.12 -4.50 119.30 116.16 1kgj s MET 413 Ca 0.02 -0.79 0.05 0.00 -1.25 0.00 0.00 55.69 53.72 1kgj s MET 413 Cb -0.14 -1.26 -0.01 0.00 1.25 0.00 0.00 34.83 34.67 1kgj s MET 413 CO -0.07 0.33 -0.23 0.08 1.05 0.00 0.00 175.02 176.18 1kgj s VAL 414 N -0.70 2.22 -0.06 10.11 1.01 -1.23 -1.48 120.40 130.26 1kgj s VAL 414 Ca 0.05 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1kgj s VAL 414 Cb -0.08 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1kgj s VAL 414 CO 0.01 0.56 -0.14 -0.75 0.00 0.00 0.00 175.10 174.78 1kgj s LYS 415 N 0.05 1.81 -0.03 2.72 2.20 -0.81 0.64 119.74 126.33 1kgj s LYS 415 Ca -0.09 -0.49 0.06 0.00 -0.36 0.00 0.00 55.97 55.08 1kgj s LYS 415 Cb -0.15 -1.49 -0.01 0.00 -1.51 0.00 0.00 37.83 34.66 1kgj s LYS 415 CO 0.06 0.09 -0.20 0.08 -0.36 0.00 0.00 175.35 175.02 1kgj s VAL 416 N 0.47 1.62 0.14 4.02 1.01 0.79 -1.42 120.40 127.03 1kgj s VAL 416 Ca -0.12 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1kgj s VAL 416 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1kgj s VAL 416 CO 0.04 0.46 -0.17 -0.76 0.00 0.00 0.00 175.10 174.66 1kgj s LEU 417 N -0.34 2.40 -0.35 3.92 1.43 -0.39 -1.12 118.68 124.23 1kgj s LEU 417 Ca 0.04 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.26 1kgj s LEU 417 Cb -0.09 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.43 1kgj s LEU 417 CO 0.00 -0.06 0.14 -0.62 0.23 0.00 0.00 176.35 176.05 1kgj s ASP 418 N -2.44 5.47 0.08 2.29 -1.08 0.39 -0.60 116.67 120.79 1kgj s ASP 418 Ca 0.11 -1.11 0.21 0.00 -0.52 0.00 0.00 52.55 51.24 1kgj s ASP 418 Cb -0.06 -1.92 0.86 0.00 -1.46 0.00 0.00 42.92 40.33 1kgj s ASP 418 CO 0.05 -0.36 1.66 0.00 0.52 0.00 0.00 175.17 177.04 1kgj n ALA 419 N 4.88 1.88 -0.09 3.66 0.00 -0.33 -1.00 120.51 129.51 1kgj n ALA 419 Ca -0.12 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 1kgj n ALA 419 Cb 0.45 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 1kgj n ALA 419 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1kgj h VAL 420 N 0.00 1.00 0.00 0.00 2.07 -1.94 -3.38 116.25 114.00 1kgj h VAL 420 Ca 0.00 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1kgj h VAL 420 Cb 0.39 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1kgj h VAL 420 CO 0.00 0.34 -0.42 0.54 0.02 0.00 0.00 177.57 178.05 1kgj n ARG 421 N -4.51 0.02 -3.23 1.57 3.00 -1.23 -4.95 116.66 107.31 1kgj n ARG 421 Ca -0.22 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.47 1kgj n ARG 421 Cb 0.55 -1.51 0.08 0.00 0.00 0.00 0.00 32.46 31.58 1kgj n ARG 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kgj n GLY 422 N 1.49 -0.36 3.57 -0.13 0.00 -0.17 -5.02 105.19 104.58 1kgj n GLY 422 Ca 0.06 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1kgj n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kgj s SER 423 N -4.08 0.31 0.47 1.61 1.04 -1.03 -5.00 113.70 107.02 1kgj s SER 423 Ca 0.06 -1.18 -0.23 0.00 0.48 0.00 0.00 55.95 55.07 1kgj s SER 423 Cb -0.01 0.64 -0.07 0.00 0.10 0.00 0.00 66.02 66.69 1kgj s SER 423 CO 0.65 -1.26 1.26 -2.84 0.98 0.00 0.00 173.24 172.02 1kgj s PRO 424 N -3.45 3.64 -0.59 4.02 0.02 -1.26 -0.46 135.00 136.92 1kgj s PRO 424 Ca 0.25 2.01 -0.21 0.00 0.02 0.00 0.00 61.00 63.07 1kgj s PRO 424 Cb -0.01 -2.46 0.07 0.00 0.02 0.00 0.00 34.50 32.12 1kgj s PRO 424 CO 0.14 -0.72 0.82 0.00 -0.33 0.00 0.00 177.00 176.91 1kgj s ALA 425 N -1.39 3.26 0.15 -1.55 0.00 -0.28 -4.61 121.76 117.34 1kgj s ALA 425 Ca 0.64 -1.85 -0.15 0.00 0.00 0.00 0.00 51.96 50.59 1kgj s ALA 425 Cb -0.35 -3.65 -0.07 0.00 0.00 0.00 0.00 23.12 19.06 1kgj s ALA 425 CO 0.42 -2.45 0.57 0.08 0.00 0.00 0.00 175.76 174.39 1kgj s VAL 426 N 3.37 4.81 -1.34 0.00 1.01 -1.26 -4.33 120.40 122.65 1kgj s VAL 426 Ca 0.19 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1kgj s VAL 426 Cb -0.19 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1kgj s VAL 426 CO 0.11 0.27 0.00 0.47 0.00 0.00 0.00 175.10 175.95 1kgj n ASP 427 N 0.89 -4.66 -4.70 3.32 9.92 -0.19 -4.96 116.55 116.16 1kgj n ASP 427 Ca -0.05 0.31 -0.42 0.00 -0.53 0.00 0.00 54.79 54.10 1kgj n ASP 427 Cb 0.52 -3.27 -0.03 0.00 -0.64 0.00 0.00 41.12 37.69 1kgj n ASP 427 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1kgj s VAL 428 N -2.42 4.11 0.13 2.53 1.01 -1.26 -4.70 120.40 119.80 1kgj s VAL 428 Ca 0.00 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1kgj s VAL 428 Cb 0.00 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1kgj s VAL 428 CO 0.00 0.08 0.98 0.00 0.00 0.00 0.00 175.10 176.16 1kgj s ALA 429 N 1.42 3.27 -0.10 5.51 0.00 -1.26 -1.27 121.76 129.33 1kgj s ALA 429 Ca 0.58 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1kgj s ALA 429 Cb -0.28 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1kgj s ALA 429 CO 0.27 -0.04 -0.09 0.08 0.00 0.00 0.00 175.76 175.98 1kgj s VAL 430 N -0.11 1.06 -0.07 0.00 1.01 0.11 -1.94 120.40 120.46 1kgj s VAL 430 Ca 0.47 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1kgj s VAL 430 Cb -0.24 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1kgj s VAL 430 CO 0.31 0.36 -0.19 -0.54 0.00 0.00 0.00 175.10 175.04 1kgj s LYS 431 N 1.42 2.68 0.02 2.72 -0.14 -0.43 -1.04 119.74 124.97 1kgj s LYS 431 Ca -0.00 -0.80 0.08 0.00 -1.36 0.00 0.00 55.97 53.89 1kgj s LYS 431 Cb -0.13 -2.32 -0.03 0.00 -1.68 0.00 0.00 37.83 33.67 1kgj s LYS 431 CO -0.05 0.43 -0.22 0.08 -0.76 0.00 0.00 175.35 174.83 1kgj s VAL 432 N -0.26 2.42 0.10 3.17 1.01 0.36 -0.57 120.40 126.63 1kgj s VAL 432 Ca 0.00 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.84 1kgj s VAL 432 Cb -0.13 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1kgj s VAL 432 CO 0.03 0.43 -0.11 -0.36 0.00 0.00 0.00 175.10 175.09 1kgj s PHE 433 N -0.79 1.13 -0.04 5.22 0.40 -0.65 -0.56 117.98 122.69 1kgj s PHE 433 Ca 0.12 -0.62 0.06 0.00 -0.60 0.00 0.00 56.93 55.89 1kgj s PHE 433 Cb -0.10 -0.61 -0.01 0.00 0.51 0.00 0.00 43.02 42.80 1kgj s PHE 433 CO 0.02 0.03 -0.24 0.21 0.70 0.00 0.00 175.22 175.94 1kgj s LYS 434 N -2.70 2.22 0.28 0.44 2.20 0.09 -1.22 119.74 121.05 1kgj s LYS 434 Ca 0.06 -0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 54.52 1kgj s LYS 434 Cb -0.04 -1.99 -0.09 0.00 -1.51 0.00 0.00 37.83 34.20 1kgj s LYS 434 CO 0.01 0.43 1.03 0.21 -0.36 0.00 0.00 175.35 176.66 1kgj s LYS 435 N -0.31 4.68 0.42 4.03 2.20 -0.89 -1.35 119.74 128.52 1kgj s LYS 435 Ca 0.02 1.63 0.01 0.00 -0.36 0.00 0.00 55.97 57.27 1kgj s LYS 435 Cb -0.12 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 1kgj s LYS 435 CO 0.02 0.30 0.63 0.99 -0.36 0.00 0.00 175.35 176.93 1kgj s THR 436 N -1.24 4.18 -1.04 3.43 2.01 0.67 -4.78 115.64 118.87 1kgj s THR 436 Ca 0.45 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1kgj s THR 436 Cb -0.28 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1kgj s THR 436 CO 0.35 -0.35 0.89 0.00 -0.69 0.00 0.00 174.62 174.82 1kgj n ALA 437 N -1.98 0.97 -1.54 7.40 0.00 -1.26 -1.79 120.51 122.31 1kgj n ALA 437 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1kgj n ALA 437 Cb 0.57 -0.91 0.20 0.00 0.00 0.00 0.00 19.45 19.32 1kgj n ALA 437 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1kgj n ASP 438 N -1.39 1.83 0.00 0.00 5.75 -1.26 -4.97 116.55 116.52 1kgj n ASP 438 Ca 0.00 -3.83 0.00 0.00 -0.01 0.00 0.00 54.79 50.95 1kgj n ASP 438 Cb 0.04 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 1kgj n ASP 438 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kgj n GLY 439 N -1.14 2.67 3.20 6.12 0.00 -0.74 -5.02 105.19 110.27 1kgj n GLY 439 Ca 0.20 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1kgj n GLY 439 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kgj n SER 440 N 0.64 -3.93 -3.76 1.61 2.88 -1.26 -4.53 113.62 105.28 1kgj n SER 440 Ca 0.00 0.21 -0.28 0.00 -1.33 0.00 0.00 58.87 57.47 1kgj n SER 440 Cb 0.00 -0.95 -0.12 0.00 -0.75 0.00 0.00 64.21 62.39 1kgj n SER 440 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1kgj s TRP 441 N -2.18 2.63 0.36 0.66 0.23 -1.26 -0.24 118.94 119.14 1kgj s TRP 441 Ca 0.48 -2.89 -0.25 0.00 -2.03 0.00 0.00 56.10 51.41 1kgj s TRP 441 Cb -0.17 -2.16 -0.10 0.00 0.03 0.00 0.00 33.47 31.08 1kgj s TRP 441 CO 0.74 -0.68 0.98 -1.83 0.96 0.00 0.00 176.95 177.12 1kgj s GLU 442 N -0.57 4.39 0.11 4.98 -1.05 -0.45 -4.82 118.70 121.29 1kgj s GLU 442 Ca 0.24 1.35 -0.31 0.00 -0.15 0.00 0.00 54.97 56.10 1kgj s GLU 442 Cb -0.10 -2.62 -0.08 0.00 -0.44 0.00 0.00 34.13 30.89 1kgj s GLU 442 CO -0.11 0.10 1.39 -1.25 0.95 0.00 0.00 175.26 176.34 1kgj s PRO 443 N -2.38 4.32 -0.22 -4.83 0.04 -1.26 -0.73 135.00 129.94 1kgj s PRO 443 Ca 0.55 2.07 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 1kgj s PRO 443 Cb -0.18 -3.26 -0.09 0.00 0.04 0.00 0.00 34.50 31.01 1kgj s PRO 443 CO 0.23 -0.44 -0.29 0.34 0.04 0.00 0.00 177.00 176.88 1kgj n PHE 444 N 4.01 0.00 -3.51 0.56 7.35 0.28 -4.83 117.46 121.31 1kgj n PHE 444 Ca 0.12 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.71 1kgj n PHE 444 Cb 0.42 -0.77 -0.03 0.00 0.35 0.00 0.00 39.48 39.45 1kgj n PHE 444 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1kgj s ALA 445 N -2.43 -1.83 0.14 3.13 0.00 -1.01 -5.00 121.76 114.76 1kgj s ALA 445 Ca -0.31 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 1kgj s ALA 445 Cb 0.11 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.45 1kgj s ALA 445 CO 0.39 -0.60 0.37 -1.54 0.00 0.00 0.00 175.76 174.37 1kgj s SER 446 N -2.17 -0.13 0.00 0.00 1.04 -1.26 0.14 113.70 111.32 1kgj s SER 446 Ca 0.03 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1kgj s SER 446 Cb -0.01 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1kgj s SER 446 CO -0.06 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1kgj n GLY 447 N -0.22 -1.35 3.03 7.32 0.00 -0.21 -4.98 105.19 108.79 1kgj n GLY 447 Ca -0.13 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 1kgj n GLY 447 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kgj s LYS 448 N -1.10 0.64 0.29 1.61 1.02 -1.26 0.05 119.74 120.98 1kgj s LYS 448 Ca 0.00 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 1kgj s LYS 448 Cb 0.00 -0.58 -0.11 0.00 -0.52 0.00 0.00 37.83 36.62 1kgj s LYS 448 CO 0.00 0.15 1.58 0.95 -0.92 0.00 0.00 175.35 177.10 1kgj s THR 449 N -0.54 2.15 0.00 2.17 -4.23 -0.40 -4.84 115.64 109.95 1kgj s THR 449 Ca -0.00 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1kgj s THR 449 Cb -0.05 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1kgj s THR 449 CO 0.00 0.02 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 1kgj n ALA 450 N 2.23 0.00 0.30 3.99 0.00 -1.00 -1.03 120.51 125.01 1kgj n ALA 450 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.71 1kgj n ALA 450 Cb 0.38 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.66 1kgj n ALA 450 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1kgj h GLU 451 N 0.00 0.00 -0.01 0.00 4.39 -1.95 -2.26 114.58 114.75 1kgj h GLU 451 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1kgj h GLU 451 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1kgj h GLU 451 CO 0.00 0.00 -0.18 -1.13 -1.16 0.00 0.00 179.01 176.54 1kgj n SER 452 N -3.03 0.93 0.00 1.42 3.41 -1.26 -4.83 113.62 110.27 1kgj n SER 452 Ca -0.00 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1kgj n SER 452 Cb 0.23 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1kgj n SER 452 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kgj n GLY 453 N 1.30 2.64 3.91 5.00 0.00 -0.85 -4.83 105.19 112.36 1kgj n GLY 453 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1kgj n GLY 453 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kgj s GLU 454 N -0.25 3.32 -0.16 1.61 -1.05 -1.26 -0.15 118.70 120.76 1kgj s GLU 454 Ca 0.00 -0.61 -0.00 0.00 -0.15 0.00 0.00 54.97 54.20 1kgj s GLU 454 Cb 0.00 -2.92 -0.00 0.00 -0.44 0.00 0.00 34.13 30.77 1kgj s GLU 454 CO 0.00 0.54 -0.14 -1.17 0.95 0.00 0.00 175.26 175.43 1kgj s LEU 455 N -3.03 2.51 -0.00 1.83 2.96 0.21 -2.36 118.68 120.80 1kgj s LEU 455 Ca 0.34 -0.46 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1kgj s LEU 455 Cb -0.11 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1kgj s LEU 455 CO 0.27 0.08 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.21 1kgj s HIS 456 N 0.86 2.60 0.00 5.38 3.76 -1.26 -3.55 115.29 123.09 1kgj s HIS 456 Ca -0.04 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1kgj s HIS 456 Cb -0.15 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1kgj s HIS 456 CO -0.01 0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 1kgj n GLY 457 N 1.94 1.00 0.09 -2.22 0.00 -1.26 -5.03 105.19 99.71 1kgj n GLY 457 Ca -0.16 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1kgj n GLY 457 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kgj h LEU 458 N 0.00 -0.11 -7.17 0.99 3.38 -1.86 -3.47 115.31 107.07 1kgj h LEU 458 Ca 0.00 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1kgj h LEU 458 Cb 0.00 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.66 1kgj h LEU 458 CO 0.00 -0.06 0.29 0.28 0.09 0.00 0.00 178.44 179.05 1kgj s THR 459 N -6.07 0.00 0.65 0.22 -1.32 -1.26 -4.81 115.64 103.04 1kgj s THR 459 Ca -0.14 -0.17 0.03 0.00 -1.21 0.00 0.00 61.69 60.20 1kgj s THR 459 Cb 0.05 -1.19 0.11 0.00 -1.51 0.00 0.00 72.50 69.96 1kgj s THR 459 CO 0.65 0.00 0.90 0.42 -2.21 0.00 0.00 174.62 174.39 1kgj s THR 460 N -3.60 2.19 0.22 5.08 -4.23 -1.26 -4.44 115.64 109.60 1kgj s THR 460 Ca 0.04 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1kgj s THR 460 Cb -0.02 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 1kgj s THR 460 CO -0.09 0.00 1.52 0.44 -0.54 0.00 0.00 174.62 175.95 1kgj h ASP 461 N -0.23 0.32 -0.57 3.99 3.32 -1.98 -2.37 116.42 118.90 1kgj h ASP 461 Ca -0.35 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.46 1kgj h ASP 461 Cb 1.28 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1kgj h ASP 461 CO 0.41 0.88 0.17 -0.08 -1.72 0.00 0.00 179.24 178.90 1kgj h GLU 462 N 0.20 0.93 0.02 3.56 4.81 -2.03 -2.96 114.58 119.10 1kgj h GLU 462 Ca -0.01 -0.19 -0.23 0.00 -0.13 0.00 0.00 59.36 58.80 1kgj h GLU 462 Cb 1.18 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 1kgj h GLU 462 CO 0.10 0.81 -1.14 -0.22 -0.73 0.00 0.00 179.01 177.83 1kgj h LYS 463 N 0.90 0.04 -3.83 1.92 3.64 -1.95 -3.40 116.57 113.89 1kgj h LYS 463 Ca 0.20 -0.07 -0.69 0.00 -1.27 0.00 0.00 60.65 58.81 1kgj h LYS 463 Cb 0.28 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1kgj h LYS 463 CO -0.01 0.97 3.22 0.34 -2.27 0.00 0.00 179.45 181.70 1kgj n PHE 464 N -3.34 3.21 -1.57 1.91 -0.00 -0.90 -4.96 117.46 111.82 1kgj n PHE 464 Ca -0.04 -2.92 -0.29 0.00 -0.00 0.00 0.00 57.45 54.19 1kgj n PHE 464 Cb 0.97 -2.49 0.17 0.00 -0.00 0.00 0.00 39.48 38.13 1kgj n PHE 464 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1kgj s THR 465 N 3.11 1.92 0.28 -2.13 -4.23 -1.26 -4.91 115.64 108.42 1kgj s THR 465 Ca 0.52 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.73 1kgj s THR 465 Cb 0.15 -2.77 -0.10 0.00 1.34 0.00 0.00 72.50 71.12 1kgj s THR 465 CO -0.07 0.00 1.26 -0.70 -0.54 0.00 0.00 174.62 174.56 1kgj s GLU 466 N -5.48 4.44 0.00 3.99 2.12 -1.26 -4.75 118.70 117.76 1kgj s GLU 466 Ca 0.68 2.06 0.00 0.00 0.36 0.00 0.00 54.97 58.07 1kgj s GLU 466 Cb -0.11 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1kgj s GLU 466 CO 0.54 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 1kgj n GLY 467 N 1.37 0.36 3.79 -1.50 0.00 -0.92 -5.00 105.19 103.29 1kgj n GLY 467 Ca 0.02 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 1kgj n GLY 467 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kgj s VAL 468 N -1.85 4.57 0.06 1.61 1.01 -1.26 -0.90 120.40 123.64 1kgj s VAL 468 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.47 1kgj s VAL 468 Cb 0.00 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 1kgj s VAL 468 CO 0.00 0.53 -0.12 -0.31 0.00 0.00 0.00 175.10 175.20 1kgj s TYR 469 N -1.09 1.06 -0.06 5.22 2.02 -0.08 -2.09 117.35 122.32 1kgj s TYR 469 Ca 0.32 -0.48 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1kgj s TYR 469 Cb -0.21 -0.60 0.02 0.00 -0.40 0.00 0.00 41.96 40.77 1kgj s TYR 469 CO 0.22 0.02 -0.06 -0.98 -1.57 0.00 0.00 175.55 173.18 1kgj s ARG 470 N -1.74 1.08 -0.35 -0.62 1.70 -0.36 -1.65 118.95 117.00 1kgj s ARG 470 Ca -0.04 -0.15 -0.14 0.00 -0.47 0.00 0.00 55.73 54.93 1kgj s ARG 470 Cb -0.10 -1.09 -0.01 0.00 -0.57 0.00 0.00 34.95 33.18 1kgj s ARG 470 CO 0.02 -0.13 0.27 0.08 -1.08 0.00 0.00 175.30 174.46 1kgj s VAL 471 N 1.17 5.26 -0.23 4.99 1.01 0.50 -1.64 120.40 131.46 1kgj s VAL 471 Ca -0.06 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1kgj s VAL 471 Cb -0.14 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1kgj s VAL 471 CO -0.01 -0.05 0.07 -0.70 0.00 0.00 0.00 175.10 174.40 1kgj s GLU 472 N 1.78 3.75 -0.22 2.72 2.12 0.26 -1.65 118.70 127.47 1kgj s GLU 472 Ca 0.07 -0.44 -0.03 0.00 0.36 0.00 0.00 54.97 54.93 1kgj s GLU 472 Cb -0.17 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1kgj s GLU 472 CO 0.11 -0.06 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.19 1kgj s LEU 473 N 1.26 2.77 -1.22 2.70 1.43 0.04 -1.32 118.68 124.34 1kgj s LEU 473 Ca 0.05 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 1kgj s LEU 473 Cb -0.15 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 1kgj s LEU 473 CO 0.03 -0.03 1.99 -0.67 0.23 0.00 0.00 176.35 177.91 1kgj n ASP 474 N 4.75 3.73 0.21 2.29 2.03 -0.82 -1.80 116.55 126.94 1kgj n ASP 474 Ca -0.19 -2.80 0.06 0.00 0.52 0.00 0.00 54.79 52.38 1kgj n ASP 474 Cb 0.50 -1.57 0.44 0.00 -0.72 0.00 0.00 41.12 39.77 1kgj n ASP 474 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1kgj h THR 475 N 4.84 0.95 -0.06 5.18 1.35 -1.88 -3.15 112.91 120.14 1kgj h THR 475 Ca 0.45 -1.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1kgj h THR 475 Cb 0.75 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1kgj h THR 475 CO 1.70 0.30 0.04 0.50 -0.25 0.00 0.00 175.52 177.81 1kgj h LYS 476 N 0.00 0.09 -0.72 4.72 3.64 -1.81 -2.89 116.57 119.59 1kgj h LYS 476 Ca -0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1kgj h LYS 476 Cb 0.66 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 1kgj h LYS 476 CO 0.04 0.11 0.46 0.77 -2.27 0.00 0.00 179.45 178.55 1kgj h SER 477 N 0.04 0.76 -0.33 4.20 0.02 -1.86 -1.98 113.55 114.41 1kgj h SER 477 Ca 0.02 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1kgj h SER 477 Cb 0.04 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.35 1kgj h SER 477 CO -0.00 0.52 -0.12 0.22 -1.14 0.00 0.00 176.83 176.31 1kgj h TYR 478 N 0.90 -0.27 -0.47 3.45 5.03 -1.54 -1.97 116.97 122.09 1kgj h TYR 478 Ca 0.29 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.51 1kgj h TYR 478 Cb 0.01 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 1kgj h TYR 478 CO -0.04 -0.19 -0.20 -1.49 -1.32 0.00 0.00 178.16 174.93 1kgj h TRP 479 N -0.05 1.11 -0.80 -3.82 4.06 -1.29 -3.15 115.95 112.00 1kgj h TRP 479 Ca 0.16 -0.27 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 1kgj h TRP 479 Cb 0.30 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.16 1kgj h TRP 479 CO -0.34 1.08 0.47 0.87 -3.56 0.00 0.00 178.44 176.97 1kgj h LYS 480 N 0.82 1.10 -0.19 0.49 1.79 -1.13 -0.60 116.57 118.84 1kgj h LYS 480 Ca 0.11 -0.11 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1kgj h LYS 480 Cb 0.77 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1kgj h LYS 480 CO 0.06 0.78 0.14 0.00 -1.08 0.00 0.00 179.45 179.36 1kgj h ALA 481 N 1.25 2.16 -0.01 3.86 0.00 -1.33 0.14 119.26 125.34 1kgj h ALA 481 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1kgj h ALA 481 Cb -0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1kgj h ALA 481 CO -0.05 -0.24 -0.10 1.28 0.00 0.00 0.00 179.25 180.14 1kgj n LEU 482 N -4.44 0.68 0.00 0.00 4.77 -0.31 -4.92 117.00 112.78 1kgj n LEU 482 Ca 0.02 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1kgj n LEU 482 Cb 0.28 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1kgj n LEU 482 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1kgj n GLY 483 N 1.24 0.55 3.58 -0.72 0.00 0.50 -5.06 105.19 105.28 1kgj n GLY 483 Ca 0.16 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1kgj n GLY 483 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kgj s ILE 484 N -2.00 3.54 -0.39 -0.61 1.01 -0.74 -5.00 121.20 117.01 1kgj s ILE 484 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 1kgj s ILE 484 Cb 0.00 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.96 1kgj s ILE 484 CO 0.00 0.40 0.26 -0.55 0.00 0.00 0.00 174.94 175.05 1kgj s SER 485 N -1.37 5.96 0.66 3.58 0.15 -1.26 -2.93 113.70 118.49 1kgj s SER 485 Ca 0.16 -0.88 -0.11 0.00 0.70 0.00 0.00 55.95 55.82 1kgj s SER 485 Cb -0.11 -2.11 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1kgj s SER 485 CO 0.07 -0.40 1.06 -2.16 1.20 0.00 0.00 173.24 173.00 1kgj s PRO 486 N 1.64 3.21 -0.14 5.44 0.04 -1.26 -4.99 135.00 138.93 1kgj s PRO 486 Ca 0.04 0.58 -0.25 0.00 0.04 0.00 0.00 61.00 61.40 1kgj s PRO 486 Cb -0.19 -2.06 -0.25 0.00 0.04 0.00 0.00 34.50 32.04 1kgj s PRO 486 CO 0.09 -0.80 0.63 0.35 0.04 0.00 0.00 177.00 177.31 1kgj h PHE 487 N -0.48 0.09 -4.37 0.56 3.57 -1.73 -3.47 116.94 111.11 1kgj h PHE 487 Ca -0.45 -0.07 -0.50 0.00 3.53 0.00 0.00 57.97 60.48 1kgj h PHE 487 Cb 1.22 -0.00 0.06 0.00 2.79 0.00 0.00 35.95 40.02 1kgj h PHE 487 CO 0.57 1.20 0.41 -1.01 -2.23 0.00 0.00 178.31 177.25 1kgj s HIS 488 N -2.30 3.55 -0.06 0.41 3.76 -1.26 -5.00 115.29 114.39 1kgj s HIS 488 Ca -0.21 1.22 0.12 0.00 -0.15 0.00 0.00 55.06 56.04 1kgj s HIS 488 Cb 0.00 -2.80 -0.23 0.00 1.11 0.00 0.00 32.58 30.66 1kgj s HIS 488 CO 0.69 -0.81 0.60 0.39 -0.85 0.00 0.00 174.74 174.76 1kgj n GLU 489 N -2.81 0.64 -3.95 1.40 -0.58 -1.26 -4.58 120.64 109.50 1kgj n GLU 489 Ca 0.06 0.27 0.02 0.00 -0.42 0.00 0.00 57.16 57.09 1kgj n GLU 489 Cb 0.55 -1.77 0.01 0.00 -0.57 0.00 0.00 31.44 29.66 1kgj n GLU 489 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 1kgj n TYR 490 N -3.04 -0.53 -4.56 -0.32 0.18 -1.26 -3.82 117.16 103.81 1kgj n TYR 490 Ca -0.19 -0.79 -0.24 0.00 1.88 0.00 0.00 57.90 58.56 1kgj n TYR 490 Cb 1.06 0.37 -0.17 0.00 -0.38 0.00 0.00 39.34 40.22 1kgj n TYR 490 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1kgj s ALA 491 N -2.00 1.21 -0.02 -3.48 0.00 -0.74 -4.89 121.76 111.84 1kgj s ALA 491 Ca 0.29 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.93 1kgj s ALA 491 Cb -0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1kgj s ALA 491 CO 0.00 0.11 -0.24 -1.21 0.00 0.00 0.00 175.76 174.43 1kgj s GLU 492 N 0.65 2.16 -0.18 0.00 2.02 -1.26 -0.78 118.70 121.31 1kgj s GLU 492 Ca -0.14 -0.90 -0.00 0.00 0.02 0.00 0.00 54.97 53.95 1kgj s GLU 492 Cb -0.15 -2.10 0.04 0.00 0.10 0.00 0.00 34.13 32.02 1kgj s GLU 492 CO 0.03 0.57 -0.06 0.08 0.02 0.00 0.00 175.26 175.90 1kgj s VAL 493 N -0.65 1.21 -0.27 2.63 1.01 -0.66 -4.98 120.40 118.70 1kgj s VAL 493 Ca 0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1kgj s VAL 493 Cb -0.10 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 34.93 1kgj s VAL 493 CO -0.00 0.11 -0.04 -0.69 0.00 0.00 0.00 175.10 174.48 1kgj s VAL 494 N 1.58 2.87 0.20 2.92 1.01 -1.26 -0.37 120.40 127.36 1kgj s VAL 494 Ca -0.00 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 60.80 1kgj s VAL 494 Cb -0.16 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1kgj s VAL 494 CO -0.08 0.07 0.01 0.72 0.00 0.00 0.00 175.10 175.82 1kgj s PHE 495 N 1.28 1.38 -0.19 5.22 -0.12 -0.66 -4.98 117.98 119.92 1kgj s PHE 495 Ca -0.03 -1.00 -0.10 0.00 -0.05 0.00 0.00 56.93 55.76 1kgj s PHE 495 Cb -0.18 -0.79 -0.05 0.00 -0.63 0.00 0.00 43.02 41.37 1kgj s PHE 495 CO -0.03 -0.15 0.13 0.99 -0.05 0.00 0.00 175.22 176.11 1kgj s THR 496 N -3.57 5.43 0.09 -4.49 2.01 -1.26 -0.91 115.64 112.93 1kgj s THR 496 Ca 0.27 0.20 0.09 0.00 0.31 0.00 0.00 61.69 62.56 1kgj s THR 496 Cb 0.06 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1kgj s THR 496 CO 0.07 0.47 -0.23 0.00 -0.69 0.00 0.00 174.62 174.24 1kgj s ALA 497 N 0.11 2.47 -1.48 7.40 0.00 -0.08 -4.83 121.76 125.35 1kgj s ALA 497 Ca 0.09 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.61 1kgj s ALA 497 Cb -0.11 -0.55 0.07 0.00 0.00 0.00 0.00 23.12 22.53 1kgj s ALA 497 CO -0.01 0.56 0.83 0.09 0.00 0.00 0.00 175.76 177.23 1kgj n ASN 498 N 1.24 -4.78 -0.05 0.00 3.02 -1.26 -2.15 115.26 111.28 1kgj n ASN 498 Ca -0.17 -0.62 -0.17 0.00 -0.03 0.00 0.00 54.58 53.59 1kgj n ASN 498 Cb 0.52 -3.84 -0.14 0.00 -0.61 0.00 0.00 39.78 35.71 1kgj n ASN 498 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1kgj n ASP 499 N -2.67 1.66 -0.70 6.41 5.75 -1.26 -4.07 116.55 121.66 1kgj n ASP 499 Ca 0.01 0.12 0.09 0.00 -0.01 0.00 0.00 54.79 55.00 1kgj n ASP 499 Cb 0.54 -0.41 0.27 0.00 -1.03 0.00 0.00 41.12 40.49 1kgj n ASP 499 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1kgj n SER 500 N -3.27 2.08 0.00 -1.12 7.64 -1.26 -4.98 113.62 112.70 1kgj n SER 500 Ca -0.34 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 57.67 1kgj n SER 500 Cb 1.04 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1kgj n SER 500 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kgj n GLY 501 N 1.18 3.89 3.67 0.23 0.00 -1.26 -5.06 105.19 107.83 1kgj n GLY 501 Ca 0.15 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 1kgj n GLY 501 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1kgj s HIS 502 N -2.29 2.84 0.37 1.61 2.46 -1.26 -4.24 115.29 114.77 1kgj s HIS 502 Ca 0.00 0.96 0.04 0.00 0.47 0.00 0.00 55.06 56.53 1kgj s HIS 502 Cb 0.00 -3.54 -0.06 0.00 -0.13 0.00 0.00 32.58 28.85 1kgj s HIS 502 CO 0.00 -1.89 0.05 1.03 -2.47 0.00 0.00 174.74 171.46 1kgj s ARG 503 N 3.17 1.79 -0.16 2.88 1.81 -1.26 -4.30 118.95 122.87 1kgj s ARG 503 Ca 0.58 -2.02 -0.02 0.00 -1.72 0.00 0.00 55.73 52.54 1kgj s ARG 503 Cb -0.24 -1.03 -0.02 0.00 -0.45 0.00 0.00 34.95 33.21 1kgj s ARG 503 CO 0.19 -0.21 -0.08 -1.01 -0.68 0.00 0.00 175.30 173.50 1kgj s HIS 504 N -3.14 2.91 0.42 -0.53 3.76 -0.63 -4.89 115.29 113.19 1kgj s HIS 504 Ca 0.32 -0.62 0.07 0.00 -0.15 0.00 0.00 55.06 54.68 1kgj s HIS 504 Cb 0.08 -1.95 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 1kgj s HIS 504 CO 0.15 -0.25 0.33 0.71 -0.85 0.00 0.00 174.74 174.82 1kgj s TYR 505 N 0.66 2.61 -0.30 1.40 2.02 0.39 -1.65 117.35 122.48 1kgj s TYR 505 Ca -0.04 -0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 56.11 1kgj s TYR 505 Cb -0.15 -2.10 0.19 0.00 -0.40 0.00 0.00 41.96 39.50 1kgj s TYR 505 CO 0.02 -0.06 0.60 0.99 -1.57 0.00 0.00 175.55 175.53 1kgj s THR 506 N -2.53 -1.00 -0.25 -0.71 2.01 -0.88 -2.79 115.64 109.50 1kgj s THR 506 Ca 0.45 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.33 1kgj s THR 506 Cb -0.01 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1kgj s THR 506 CO 0.26 0.00 0.25 -0.63 -0.69 0.00 0.00 174.62 173.81 1kgj s ILE 507 N 2.86 5.28 -0.05 1.82 -1.09 -0.55 -1.23 121.20 128.24 1kgj s ILE 507 Ca 0.20 0.35 0.05 0.00 -2.23 0.00 0.00 60.65 59.02 1kgj s ILE 507 Cb -0.15 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 1kgj s ILE 507 CO -0.21 0.27 -0.20 0.00 -1.23 0.00 0.00 174.94 173.56 1kgj s ALA 508 N 1.48 2.39 -0.07 9.38 0.00 -0.22 -1.92 121.76 132.79 1kgj s ALA 508 Ca 0.11 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1kgj s ALA 508 Cb -0.15 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.19 1kgj s ALA 508 CO 0.08 0.48 -0.08 0.00 0.00 0.00 0.00 175.76 176.23 1kgj s ALA 509 N -0.42 1.07 -0.18 0.00 0.00 -0.51 -0.74 121.76 120.99 1kgj s ALA 509 Ca 0.04 -0.33 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 1kgj s ALA 509 Cb -0.12 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1kgj s ALA 509 CO 0.02 -0.09 0.16 -1.17 0.00 0.00 0.00 175.76 174.67 1kgj s LEU 510 N 1.09 4.25 0.13 0.00 2.96 -0.32 -1.26 118.68 125.53 1kgj s LEU 510 Ca -0.07 0.32 0.10 0.00 -0.22 0.00 0.00 54.13 54.25 1kgj s LEU 510 Cb -0.14 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1kgj s LEU 510 CO -0.01 0.21 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.27 1kgj s LEU 511 N 0.14 2.62 -0.08 -0.68 1.43 0.23 -2.53 118.68 119.82 1kgj s LEU 511 Ca 0.11 -0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 52.36 1kgj s LEU 511 Cb -0.12 -1.45 0.05 0.00 0.03 0.00 0.00 46.19 44.70 1kgj s LEU 511 CO 0.00 0.17 0.51 -0.44 0.23 0.00 0.00 176.35 176.81 1kgj s SER 512 N -2.25 -0.46 0.39 2.29 0.01 -0.23 -1.19 113.70 112.26 1kgj s SER 512 Ca 0.18 0.58 0.23 0.00 1.31 0.00 0.00 55.95 58.25 1kgj s SER 512 Cb -0.10 0.60 1.28 0.00 0.21 0.00 0.00 66.02 68.02 1kgj s SER 512 CO 0.10 -0.44 1.64 -0.65 0.41 0.00 0.00 173.24 174.30 1kgj h PRO 513 N 3.93 0.17 -0.01 12.44 0.11 -2.00 -2.23 132.00 144.41 1kgj h PRO 513 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1kgj h PRO 513 Cb 1.16 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1kgj h PRO 513 CO 0.33 0.11 -0.00 0.66 -0.21 0.00 0.00 178.00 178.89 1kgj n TYR 514 N -4.89 0.00 -3.88 0.65 4.02 -1.26 -1.82 117.16 109.97 1kgj n TYR 514 Ca 0.35 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 58.15 1kgj n TYR 514 Cb 1.22 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 40.47 1kgj n TYR 514 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kgj s SER 515 N -0.44 0.15 -0.28 7.72 0.15 -0.84 -4.95 113.70 115.21 1kgj s SER 515 Ca 0.06 -0.64 -0.21 0.00 0.70 0.00 0.00 55.95 55.86 1kgj s SER 515 Cb 0.04 0.31 0.09 0.00 -1.71 0.00 0.00 66.02 64.75 1kgj s SER 515 CO 0.07 -0.68 0.77 -0.72 1.20 0.00 0.00 173.24 173.87 1kgj s TYR 516 N -3.60 -0.83 0.19 3.44 -0.85 -1.26 -1.07 117.35 113.36 1kgj s TYR 516 Ca 0.03 1.85 0.11 0.00 -0.52 0.00 0.00 57.07 58.54 1kgj s TYR 516 Cb 0.04 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.75 1kgj s TYR 516 CO -0.09 -0.41 -0.23 -1.54 -1.52 0.00 0.00 175.55 171.76 1kgj s SER 517 N 0.88 3.28 -0.10 -0.18 1.04 -1.05 -4.99 113.70 112.58 1kgj s SER 517 Ca -0.04 -0.86 -0.07 0.00 0.48 0.00 0.00 55.95 55.46 1kgj s SER 517 Cb -0.05 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.87 1kgj s SER 517 CO -0.08 0.09 0.24 0.28 0.98 0.00 0.00 173.24 174.75 1kgj s THR 518 N -1.72 -0.01 0.24 2.02 -1.32 -1.26 -1.17 115.64 112.43 1kgj s THR 518 Ca 0.19 0.05 0.10 0.00 -1.21 0.00 0.00 61.69 60.82 1kgj s THR 518 Cb -0.08 -0.36 -0.05 0.00 -1.51 0.00 0.00 72.50 70.51 1kgj s THR 518 CO 0.09 0.02 -0.17 0.28 -2.21 0.00 0.00 174.62 172.63 1kgj s THR 519 N 0.50 2.12 0.07 5.08 -1.32 0.08 -4.97 115.64 117.20 1kgj s THR 519 Ca -0.03 -2.31 0.09 0.00 -1.21 0.00 0.00 61.69 58.23 1kgj s THR 519 Cb -0.05 -2.17 -0.03 0.00 -1.51 0.00 0.00 72.50 68.74 1kgj s THR 519 CO -0.03 -0.49 -0.24 0.00 -2.21 0.00 0.00 174.62 171.65 1kgj s ALA 520 N -2.73 2.07 -0.29 11.08 0.00 -1.26 -1.06 121.76 129.57 1kgj s ALA 520 Ca 0.26 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1kgj s ALA 520 Cb -0.03 -0.39 0.10 0.00 0.00 0.00 0.00 23.12 22.80 1kgj s ALA 520 CO 0.11 0.47 0.11 0.08 0.00 0.00 0.00 175.76 176.53 1kgj s VAL 521 N -0.90 0.37 -0.05 0.00 1.01 -0.36 -4.98 120.40 115.49 1kgj s VAL 521 Ca 0.10 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1kgj s VAL 521 Cb -0.10 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1kgj s VAL 521 CO 0.03 -0.66 0.18 0.68 0.00 0.00 0.00 175.10 175.33 1kgj s VAL 522 N 1.88 5.44 -0.15 2.92 -7.23 -1.26 -2.07 120.40 119.92 1kgj s VAL 522 Ca 0.09 0.05 -0.17 0.00 -1.81 0.00 0.00 61.98 60.14 1kgj s VAL 522 Cb -0.17 -3.49 0.04 0.00 0.56 0.00 0.00 36.38 33.32 1kgj s VAL 522 CO -0.29 0.45 0.46 -0.94 -0.31 0.00 0.00 175.10 174.47 1kgj s SER 523 N -1.54 -0.46 0.07 4.85 1.04 -0.66 -5.00 113.70 112.00 1kgj s SER 523 Ca 0.23 0.81 -0.31 0.00 0.48 0.00 0.00 55.95 57.16 1kgj s SER 523 Cb -0.13 0.84 -0.08 0.00 0.10 0.00 0.00 66.02 66.76 1kgj s SER 523 CO 0.13 -0.23 1.52 0.21 0.98 0.00 0.00 173.24 175.84 1kgj s ASN 524 N -0.06 6.72 0.43 7.02 2.47 -1.26 -1.61 114.94 128.65 1kgj s ASN 524 Ca -0.03 2.35 -0.25 0.00 0.42 0.00 0.00 52.86 55.36 1kgj s ASN 524 Cb -0.03 -2.57 -0.10 0.00 -1.45 0.00 0.00 41.25 37.10 1kgj s ASN 524 CO 0.02 -0.79 1.20 -0.81 -3.72 0.00 0.00 177.10 173.00 1kgj n PRO 525 N 5.05 1.74 -1.65 0.43 -0.04 -1.26 -4.88 135.00 134.39 1kgj n PRO 525 Ca 0.14 0.62 -0.54 0.00 -0.04 0.00 0.00 63.50 63.68 1kgj n PRO 525 Cb 0.42 -2.29 -0.06 0.00 -0.04 0.00 0.00 33.50 31.52 1kgj n PRO 525 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kgj n GLN 526 N 0.01 1.28 0.00 0.54 10.64 -1.26 -5.08 117.38 123.50 1kgj n GLN 526 Ca 0.08 0.46 0.00 0.00 -1.83 0.00 0.00 57.00 55.71 1kgj n GLN 526 Cb 0.40 -2.14 0.00 0.00 -0.86 0.00 0.00 30.24 27.63 1kgj n GLN 526 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52