#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2p s ASP 398 N 0.00 2.36 0.07 9.51 -1.08 -0.54 -4.83 116.67 122.17 1k2p s ASP 398 Ca 0.00 -0.52 -0.31 0.00 -0.52 0.00 0.00 52.55 51.21 1k2p s ASP 398 Cb 0.00 -0.53 -0.06 0.00 -1.46 0.00 0.00 42.92 40.87 1k2p s ASP 398 CO 0.00 -0.26 1.29 -2.84 0.52 0.00 0.00 175.17 173.88 1k2p s PRO 399 N 1.91 4.37 -1.03 4.34 0.02 -1.26 -4.65 135.00 138.69 1k2p s PRO 399 Ca 0.02 1.90 -0.27 0.00 0.02 0.00 0.00 61.00 62.66 1k2p s PRO 399 Cb -0.15 -3.35 -0.22 0.00 0.02 0.00 0.00 34.50 30.80 1k2p s PRO 399 CO -0.07 -0.37 2.17 1.17 -0.33 0.00 0.00 177.00 179.57 1k2p n LYS 400 N 4.17 0.17 -2.20 5.54 4.81 -1.26 -4.68 118.16 124.71 1k2p n LYS 400 Ca 0.10 -1.55 -0.34 0.00 -0.87 0.00 0.00 58.31 55.65 1k2p n LYS 400 Cb 0.45 -3.91 0.02 0.00 0.02 0.00 0.00 35.03 31.61 1k2p n LYS 400 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1k2p n ASP 401 N 19.87 6.30 -4.59 3.14 3.85 -1.26 -4.98 116.55 138.89 1k2p n ASP 401 Ca 0.42 -3.78 -0.27 0.00 -0.71 0.00 0.00 54.79 50.45 1k2p n ASP 401 Cb 0.46 -0.81 -0.11 0.00 -1.35 0.00 0.00 41.12 39.31 1k2p n ASP 401 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1k2p s LEU 402 N -3.85 2.80 0.00 -2.12 1.02 -1.26 -4.20 118.68 111.07 1k2p s LEU 402 Ca 0.50 -1.32 0.00 0.00 0.02 0.00 0.00 54.13 53.33 1k2p s LEU 402 Cb 0.41 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.71 1k2p s LEU 402 CO -0.31 -0.38 0.00 0.35 0.02 0.00 0.00 176.35 176.03 1k2p n THR 403 N -0.90 0.00 -3.63 5.49 -2.24 -1.26 -4.95 114.28 106.79 1k2p n THR 403 Ca -0.05 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.70 1k2p n THR 403 Cb 0.66 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 1k2p n THR 403 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1k2p s PHE 404 N 2.73 -0.10 0.00 4.78 2.19 -1.25 -4.89 117.98 121.44 1k2p s PHE 404 Ca 0.00 0.17 0.00 0.00 0.33 0.00 0.00 56.93 57.43 1k2p s PHE 404 Cb 0.00 0.49 0.00 0.00 -1.31 0.00 0.00 43.02 42.20 1k2p s PHE 404 CO 0.00 -0.09 0.00 -0.11 1.83 0.00 0.00 175.22 176.85 1k2p n LEU 405 N 0.56 0.00 0.00 6.12 7.94 -0.21 -4.81 117.00 126.61 1k2p n LEU 405 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1k2p n LEU 405 Cb 0.59 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.54 1k2p n LEU 405 CO 0.09 0.00 0.00 0.29 -1.11 0.00 0.00 177.39 176.66 1k2p n LYS 406 N 0.00 0.00 -1.05 1.96 5.02 -1.26 -4.84 118.16 117.99 1k2p n LYS 406 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1k2p n LYS 406 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 1k2p n LYS 406 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1k2p n GLU 407 N 0.00 -0.00 -1.93 1.97 2.13 -1.26 -2.22 120.64 119.33 1k2p n GLU 407 Ca 0.00 0.02 -0.01 0.00 0.66 0.00 0.00 57.16 57.83 1k2p n GLU 407 Cb 0.00 -1.37 0.01 0.00 0.27 0.00 0.00 31.44 30.34 1k2p n GLU 407 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1k2p n LEU 408 N 1.42 0.00 -4.35 4.31 4.77 -1.19 -4.70 117.00 117.27 1k2p n LEU 408 Ca 0.04 -0.42 -0.33 0.00 -0.03 0.00 0.00 56.01 55.27 1k2p n LEU 408 Cb 0.53 0.74 0.12 0.00 -2.33 0.00 0.00 43.42 42.47 1k2p n LEU 408 CO 0.52 -0.14 -0.31 0.61 -1.33 0.00 0.00 177.39 176.74 1k2p n GLY 409 N -0.16 -2.39 3.64 -0.72 0.00 -1.26 -4.32 105.19 99.98 1k2p n GLY 409 Ca -0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 1k2p n GLY 409 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k2p s THR 410 N -2.33 1.39 0.05 2.61 2.01 -1.26 -0.67 115.64 117.43 1k2p s THR 410 Ca 0.54 -2.00 -0.28 0.00 0.31 0.00 0.00 61.69 60.27 1k2p s THR 410 Cb -0.19 -2.57 0.09 0.00 0.01 0.00 0.00 72.50 69.84 1k2p s THR 410 CO 0.69 0.00 1.02 -0.83 -0.69 0.00 0.00 174.62 174.81 1k2p s GLY 411 N -3.73 -0.34 0.00 4.40 0.00 0.13 -4.92 107.32 102.86 1k2p s GLY 411 Ca 0.23 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1k2p s GLY 411 CO 0.12 0.17 0.82 -1.06 0.00 0.00 0.00 173.10 173.14 1k2p n GLN 412 N -0.37 0.00 -0.08 2.90 6.02 -1.26 0.06 117.38 124.65 1k2p n GLN 412 Ca -0.07 0.32 -0.10 0.00 -0.01 0.00 0.00 57.00 57.15 1k2p n GLN 412 Cb 0.61 -1.51 -0.16 0.00 1.02 0.00 0.00 30.24 30.20 1k2p n GLN 412 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1k2p n PHE 413 N -1.32 0.24 -2.81 1.08 3.01 -1.26 -5.09 117.46 111.31 1k2p n PHE 413 Ca 0.00 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1k2p n PHE 413 Cb 0.01 -1.04 0.00 0.00 -0.01 0.00 0.00 39.48 38.44 1k2p n PHE 413 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k2p n GLY 414 N 1.70 -0.50 3.97 1.37 0.00 0.11 -4.78 105.19 107.06 1k2p n GLY 414 Ca -0.29 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.07 1k2p n GLY 414 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k2p n VAL 415 N 9.00 0.00 -4.42 1.61 3.14 -1.26 0.19 118.33 126.58 1k2p n VAL 415 Ca 0.00 -1.43 -0.21 0.00 -2.96 0.00 0.00 64.34 59.74 1k2p n VAL 415 Cb 0.00 -1.06 -0.10 0.00 -1.06 0.00 0.00 33.84 31.61 1k2p n VAL 415 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1k2p s VAL 416 N -3.41 1.28 0.29 1.55 -7.23 0.15 -3.37 120.40 109.65 1k2p s VAL 416 Ca 0.71 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1k2p s VAL 416 Cb -0.03 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1k2p s VAL 416 CO 0.48 -0.13 0.10 -0.54 -0.31 0.00 0.00 175.10 174.69 1k2p s LYS 417 N -3.85 1.52 0.00 4.82 -0.14 0.22 -3.18 119.74 119.14 1k2p s LYS 417 Ca 0.33 -1.84 -0.02 0.00 -1.36 0.00 0.00 55.97 53.08 1k2p s LYS 417 Cb 0.07 -0.41 -0.04 0.00 -1.68 0.00 0.00 37.83 35.77 1k2p s LYS 417 CO 0.13 -0.30 0.15 1.52 -0.76 0.00 0.00 175.35 176.10 1k2p s TYR 418 N -3.60 3.46 0.09 3.18 -0.00 -0.94 0.10 117.35 119.64 1k2p s TYR 418 Ca 0.36 0.30 -0.27 0.00 -0.00 0.00 0.00 57.07 57.46 1k2p s TYR 418 Cb 0.07 -1.79 0.09 0.00 -0.00 0.00 0.00 41.96 40.33 1k2p s TYR 418 CO 0.15 0.61 1.09 0.20 -0.00 0.00 0.00 175.55 177.59 1k2p s GLY 419 N -1.93 -0.29 0.03 5.49 0.00 -1.05 -1.04 107.32 108.52 1k2p s GLY 419 Ca 0.27 0.32 0.04 0.00 0.00 0.00 0.00 44.72 45.35 1k2p s GLY 419 CO 0.18 0.15 -0.09 0.54 0.00 0.00 0.00 173.10 173.88 1k2p s LYS 420 N -2.93 2.41 -0.05 2.90 1.02 -1.26 -1.43 119.74 120.40 1k2p s LYS 420 Ca 0.13 -0.81 0.04 0.00 0.02 0.00 0.00 55.97 55.35 1k2p s LYS 420 Cb 0.01 -2.42 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1k2p s LYS 420 CO 0.00 0.58 -0.15 -0.46 -0.92 0.00 0.00 175.35 174.40 1k2p s TRP 421 N -1.02 1.59 -1.25 3.18 -0.00 0.06 -4.05 118.94 117.45 1k2p s TRP 421 Ca 0.17 -0.49 -0.30 0.00 -0.00 0.00 0.00 56.10 55.49 1k2p s TRP 421 Cb -0.11 -1.10 0.04 0.00 -0.00 0.00 0.00 33.47 32.30 1k2p s TRP 421 CO 0.08 -0.19 0.62 0.54 -0.00 0.00 0.00 176.95 178.00 1k2p n ARG 422 N 3.33 -0.45 0.00 5.86 1.74 -1.26 -2.74 116.66 123.13 1k2p n ARG 422 Ca -0.19 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1k2p n ARG 422 Cb 0.53 -2.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.16 1k2p n ARG 422 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k2p n GLY 423 N -2.11 0.88 2.52 -0.13 0.00 -1.26 -4.70 105.19 100.39 1k2p n GLY 423 Ca -0.13 -1.09 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 1k2p n GLY 423 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2p n GLN 424 N 0.00 2.58 -4.04 1.61 10.64 -1.25 -4.93 117.38 121.98 1k2p n GLN 424 Ca 0.00 -4.63 -0.34 0.00 -1.83 0.00 0.00 57.00 50.21 1k2p n GLN 424 Cb 0.00 -2.19 -0.15 0.00 -0.86 0.00 0.00 30.24 27.03 1k2p n GLN 424 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 1k2p s TYR 425 N -2.63 2.91 -0.18 2.61 -0.00 -1.11 -4.95 117.35 114.00 1k2p s TYR 425 Ca 0.42 -1.53 -0.29 0.00 -0.00 0.00 0.00 57.07 55.67 1k2p s TYR 425 Cb 0.18 -1.99 -0.01 0.00 -0.00 0.00 0.00 41.96 40.15 1k2p s TYR 425 CO -0.04 -0.74 1.17 -0.51 -0.00 0.00 0.00 175.55 175.43 1k2p s ASP 426 N 1.32 7.02 0.25 -0.18 -0.00 -1.26 -0.76 116.67 123.06 1k2p s ASP 426 Ca 0.03 1.59 0.10 0.00 -0.00 0.00 0.00 52.55 54.26 1k2p s ASP 426 Cb -0.15 -2.54 -0.05 0.00 -0.00 0.00 0.00 42.92 40.18 1k2p s ASP 426 CO -0.09 -0.70 -0.16 0.68 -0.00 0.00 0.00 175.17 174.90 1k2p s VAL 427 N 3.24 2.07 -0.25 -1.27 -7.23 -0.52 -1.91 120.40 114.53 1k2p s VAL 427 Ca 0.51 -2.29 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1k2p s VAL 427 Cb -0.19 -2.22 0.07 0.00 0.56 0.00 0.00 36.38 34.60 1k2p s VAL 427 CO 0.12 -0.47 -0.04 0.00 -0.31 0.00 0.00 175.10 174.40 1k2p s ALA 428 N -2.76 2.09 -0.35 1.32 0.00 0.28 -2.53 121.76 119.82 1k2p s ALA 428 Ca 0.27 -1.54 -0.24 0.00 0.00 0.00 0.00 51.96 50.45 1k2p s ALA 428 Cb -0.02 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.59 1k2p s ALA 428 CO 0.11 -1.27 0.85 -1.50 0.00 0.00 0.00 175.76 173.95 1k2p s ILE 429 N 1.33 4.69 0.02 0.00 2.07 0.28 -1.60 121.20 128.00 1k2p s ILE 429 Ca -0.04 1.12 -0.07 0.00 -1.41 0.00 0.00 60.65 60.26 1k2p s ILE 429 Cb -0.19 -4.24 -0.05 0.00 0.13 0.00 0.00 42.46 38.11 1k2p s ILE 429 CO -0.07 -0.41 0.29 -0.75 -1.91 0.00 0.00 174.94 172.08 1k2p s LYS 430 N 3.20 3.60 -0.00 3.50 2.20 0.22 0.73 119.74 133.20 1k2p s LYS 430 Ca 0.35 -0.06 -0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1k2p s LYS 430 Cb -0.13 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1k2p s LYS 430 CO 0.16 0.63 0.07 -1.64 -0.36 0.00 0.00 175.35 174.21 1k2p s MET 431 N -1.84 3.02 -0.05 4.03 -1.94 -1.22 -0.37 119.30 120.93 1k2p s MET 431 Ca 0.29 -0.51 0.21 0.00 -1.71 0.00 0.00 55.69 53.98 1k2p s MET 431 Cb -0.13 -2.83 -0.32 0.00 2.01 0.00 0.00 34.83 33.56 1k2p s MET 431 CO 0.17 0.64 0.44 -0.89 -0.01 0.00 0.00 175.02 175.37 1k2p n ILE 432 N 1.20 0.19 0.00 2.53 -0.00 0.30 -4.35 119.36 119.23 1k2p n ILE 432 Ca -0.13 -0.55 0.00 0.00 -0.00 0.00 0.00 62.75 62.07 1k2p n ILE 432 Cb 0.53 -0.06 0.00 0.00 -0.00 0.00 0.00 39.64 40.10 1k2p n ILE 432 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1k2p n LYS 433 N -2.33 0.00 -3.75 0.38 4.76 -1.25 -4.82 118.16 111.14 1k2p n LYS 433 Ca -0.08 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.00 1k2p n LYS 433 Cb 0.65 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.72 1k2p n LYS 433 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1k2p s GLU 434 N -0.17 3.84 0.00 1.97 2.12 -1.26 -2.29 118.70 122.90 1k2p s GLU 434 Ca 0.00 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.94 1k2p s GLU 434 Cb 0.00 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.98 1k2p s GLU 434 CO 0.00 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 1k2p n GLY 435 N 4.63 0.64 0.00 -1.50 0.00 -1.26 -4.70 105.19 103.00 1k2p n GLY 435 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1k2p n GLY 435 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2p n SER 436 N 1.67 0.00 -4.49 1.61 3.41 -1.26 -3.34 113.62 111.22 1k2p n SER 436 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1k2p n SER 436 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1k2p n SER 436 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1k2p s MET 437 N -3.07 3.68 0.26 4.33 -1.94 -1.26 -5.10 119.30 116.20 1k2p s MET 437 Ca 0.00 -0.50 -0.11 0.00 -1.71 0.00 0.00 55.69 53.37 1k2p s MET 437 Cb 0.00 -3.00 -0.07 0.00 2.01 0.00 0.00 34.83 33.77 1k2p s MET 437 CO 0.00 0.17 0.60 -1.12 -0.01 0.00 0.00 175.02 174.66 1k2p s SER 438 N 0.57 6.64 0.28 3.03 0.01 -1.21 -4.87 113.70 118.16 1k2p s SER 438 Ca -0.02 1.00 -0.06 0.00 1.31 0.00 0.00 55.95 58.18 1k2p s SER 438 Cb -0.14 -2.26 0.51 0.00 0.21 0.00 0.00 66.02 64.34 1k2p s SER 438 CO 0.02 -0.13 1.57 -0.08 0.41 0.00 0.00 173.24 175.03 1k2p h GLU 439 N 2.35 0.01 -0.98 12.44 4.81 -1.90 -0.15 114.58 131.15 1k2p h GLU 439 Ca -0.47 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1k2p h GLU 439 Cb 1.17 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 1k2p h GLU 439 CO 0.68 0.00 0.64 -0.44 -0.73 0.00 0.00 179.01 179.16 1k2p h ASP 440 N 0.01 1.08 0.45 1.04 5.19 -1.94 -2.94 116.42 119.30 1k2p h ASP 440 Ca 0.49 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.87 1k2p h ASP 440 Cb 0.82 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 1k2p h ASP 440 CO -0.96 0.74 -0.27 -0.33 -3.12 0.00 0.00 179.24 175.30 1k2p h GLU 441 N 1.25 -0.65 -0.12 3.56 5.08 -1.42 -3.19 114.58 119.10 1k2p h GLU 441 Ca 0.39 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.83 1k2p h GLU 441 Cb -0.01 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1k2p h GLU 441 CO -0.12 -0.43 0.11 0.35 -1.00 0.00 0.00 179.01 177.92 1k2p h PHE 442 N -0.67 0.00 -0.70 4.33 3.57 -1.59 -3.21 116.94 118.66 1k2p h PHE 442 Ca -0.06 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.57 1k2p h PHE 442 Cb 0.54 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.14 1k2p h PHE 442 CO 0.01 0.00 -0.25 0.82 -2.23 0.00 0.00 178.31 176.66 1k2p h ILE 443 N 0.00 0.21 0.56 1.41 1.08 -1.50 0.18 117.51 119.45 1k2p h ILE 443 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1k2p h ILE 443 Cb 0.27 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1k2p h ILE 443 CO -0.00 0.00 -0.31 1.05 -0.69 0.00 0.00 178.15 178.20 1k2p h GLU 444 N -0.06 -0.78 0.00 2.37 4.11 -1.74 -1.75 114.58 116.74 1k2p h GLU 444 Ca 0.31 0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.79 1k2p h GLU 444 Cb 0.55 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1k2p h GLU 444 CO -0.75 -0.52 -0.04 0.93 0.07 0.00 0.00 179.01 178.70 1k2p h GLU 445 N -0.80 0.00 -0.10 1.06 5.08 -1.59 -0.58 114.58 117.65 1k2p h GLU 445 Ca -0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1k2p h GLU 445 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1k2p h GLU 445 CO 0.09 0.04 -0.17 0.00 -1.00 0.00 0.00 179.01 177.98 1k2p h ALA 446 N 1.96 0.15 -0.46 3.43 0.00 -0.29 -0.38 119.26 123.67 1k2p h ALA 446 Ca -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1k2p h ALA 446 Cb 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1k2p h ALA 446 CO 0.01 0.07 0.29 0.87 0.00 0.00 0.00 179.25 180.48 1k2p h LYS 447 N -0.15 0.62 -0.61 0.00 1.57 -0.39 -0.98 116.57 116.64 1k2p h LYS 447 Ca 0.01 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1k2p h LYS 447 Cb 0.74 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 1k2p h LYS 447 CO 0.04 0.44 0.37 0.28 -0.57 0.00 0.00 179.45 180.01 1k2p h VAL 448 N 0.62 1.06 -0.22 0.50 2.07 -1.09 -2.44 116.25 116.75 1k2p h VAL 448 Ca 0.17 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.31 1k2p h VAL 448 Cb -0.03 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1k2p h VAL 448 CO -0.03 0.13 -0.36 0.24 0.02 0.00 0.00 177.57 177.57 1k2p h MET 449 N 0.72 0.63 0.00 1.57 2.86 -0.70 -3.04 114.93 116.98 1k2p h MET 449 Ca 0.25 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1k2p h MET 449 Cb 0.04 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1k2p h MET 449 CO -0.11 1.00 0.00 0.52 1.06 0.00 0.00 176.91 179.38 1k2p h MET 450 N 0.33 0.00 0.00 1.72 2.07 -1.10 0.75 114.93 118.70 1k2p h MET 450 Ca 0.02 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1k2p h MET 450 Cb 0.95 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.68 1k2p h MET 450 CO 0.08 0.00 -0.02 -0.91 1.07 0.00 0.00 176.91 177.14 1k2p h ASN 451 N 0.00 0.00 -3.86 1.22 -0.26 -1.31 -3.43 115.58 107.94 1k2p h ASN 451 Ca 0.00 0.00 -0.47 0.00 -0.56 0.00 0.00 56.30 55.27 1k2p h ASN 451 Cb 0.19 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1k2p h ASN 451 CO 0.00 0.02 0.35 -0.76 -1.06 0.00 0.00 177.43 175.98 1k2p s LEU 452 N -6.22 4.40 -0.30 1.61 1.02 0.26 -5.04 118.68 114.42 1k2p s LEU 452 Ca 0.04 1.89 -0.15 0.00 0.02 0.00 0.00 54.13 55.92 1k2p s LEU 452 Cb 0.07 -3.93 0.16 0.00 0.02 0.00 0.00 46.19 42.51 1k2p s LEU 452 CO 0.61 -0.04 0.99 -0.44 0.02 0.00 0.00 176.35 177.48 1k2p s SER 453 N -1.50 -0.54 -0.26 2.29 0.01 -1.26 -4.90 113.70 107.55 1k2p s SER 453 Ca 0.48 0.79 -0.25 0.00 1.31 0.00 0.00 55.95 58.28 1k2p s SER 453 Cb -0.21 1.45 0.08 0.00 0.21 0.00 0.00 66.02 67.56 1k2p s SER 453 CO 0.26 -0.12 0.81 -2.28 0.41 0.00 0.00 173.24 172.32 1k2p s HIS 454 N 1.94 -0.69 -1.37 2.43 5.04 -1.26 -5.02 115.29 116.35 1k2p s HIS 454 Ca -0.06 1.67 0.05 0.00 -1.54 0.00 0.00 55.06 55.18 1k2p s HIS 454 Cb -0.05 0.30 0.26 0.00 0.04 0.00 0.00 32.58 33.13 1k2p s HIS 454 CO -0.16 -0.35 1.03 -0.85 -2.34 0.00 0.00 174.74 172.06 1k2p n GLU 455 N 2.45 0.06 -0.32 2.88 0.28 -1.26 -1.48 120.64 123.25 1k2p n GLU 455 Ca -0.14 0.26 0.07 0.00 -0.16 0.00 0.00 57.16 57.19 1k2p n GLU 455 Cb 0.55 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.14 1k2p n GLU 455 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1k2p n LYS 456 N -1.32 2.97 -4.93 3.44 4.76 -1.26 -4.90 118.16 116.92 1k2p n LYS 456 Ca 0.02 -2.44 -0.29 0.00 -2.87 0.00 0.00 58.31 52.74 1k2p n LYS 456 Cb 0.04 -1.55 -0.17 0.00 -1.84 0.00 0.00 35.03 31.51 1k2p n LYS 456 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1k2p s LEU 457 N -1.82 1.89 -0.02 -0.35 1.43 -0.55 -1.28 118.68 117.99 1k2p s LEU 457 Ca 0.33 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 1k2p s LEU 457 Cb 0.23 -1.14 -0.06 0.00 0.03 0.00 0.00 46.19 45.25 1k2p s LEU 457 CO 0.14 0.11 1.65 -0.69 0.23 0.00 0.00 176.35 177.78 1k2p s VAL 458 N 0.45 3.44 0.26 -1.59 1.01 -0.37 -4.64 120.40 118.96 1k2p s VAL 458 Ca -0.16 0.65 -0.26 0.00 0.00 0.00 0.00 61.98 62.22 1k2p s VAL 458 Cb -0.17 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 1k2p s VAL 458 CO 0.06 -0.04 0.88 -1.10 0.00 0.00 0.00 175.10 174.90 1k2p s GLN 459 N 3.61 4.58 -0.11 2.72 -1.52 -1.26 -4.91 119.66 122.78 1k2p s GLN 459 Ca 0.74 1.26 -0.16 0.00 -1.95 0.00 0.00 55.36 55.25 1k2p s GLN 459 Cb -0.35 -2.99 -0.05 0.00 -0.22 0.00 0.00 33.01 29.41 1k2p s GLN 459 CO 0.31 0.40 0.39 -1.17 -0.25 0.00 0.00 175.29 174.96 1k2p s LEU 460 N -1.72 4.31 -0.21 2.90 0.20 -1.26 -1.82 118.68 121.08 1k2p s LEU 460 Ca 0.45 0.72 -0.13 0.00 0.69 0.00 0.00 54.13 55.86 1k2p s LEU 460 Cb -0.21 -2.54 -0.19 0.00 -0.43 0.00 0.00 46.19 42.83 1k2p s LEU 460 CO 0.25 0.11 0.07 -1.22 -0.29 0.00 0.00 176.35 175.28 1k2p n TYR 461 N 3.22 0.73 -3.81 5.38 0.53 -0.23 -4.80 117.16 118.19 1k2p n TYR 461 Ca -0.11 0.24 -0.01 0.00 -1.02 0.00 0.00 57.90 57.01 1k2p n TYR 461 Cb 0.52 -1.08 0.00 0.00 -1.03 0.00 0.00 39.34 37.75 1k2p n TYR 461 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1k2p s GLY 462 N -5.41 -0.13 -0.00 2.72 0.00 -1.24 -5.04 107.32 98.21 1k2p s GLY 462 Ca -0.30 0.08 0.08 0.00 0.00 0.00 0.00 44.72 44.58 1k2p s GLY 462 CO 0.62 1.90 -0.26 -1.34 0.00 0.00 0.00 173.10 174.02 1k2p s VAL 463 N -2.45 2.05 -0.63 1.40 -7.23 -1.26 -2.85 120.40 109.42 1k2p s VAL 463 Ca 0.19 -1.18 0.06 0.00 -1.81 0.00 0.00 61.98 59.24 1k2p s VAL 463 Cb -0.00 -1.72 0.26 0.00 0.56 0.00 0.00 36.38 35.48 1k2p s VAL 463 CO 0.01 0.51 0.76 0.00 -0.31 0.00 0.00 175.10 176.07 1k2p n THR 465 N 0.78 0.97 -1.58 0.00 -2.24 -1.26 -1.35 114.28 109.59 1k2p n THR 465 Ca 0.30 -0.37 -0.18 0.00 -2.27 0.00 0.00 64.05 61.53 1k2p n THR 465 Cb 0.41 -0.61 -0.11 0.00 -2.10 0.00 0.00 70.33 67.92 1k2p n THR 465 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1k2p n LYS 466 N 0.14 0.32 0.00 -0.78 4.76 -1.26 -4.61 118.16 116.73 1k2p n LYS 466 Ca 0.09 -1.78 0.00 0.00 -2.87 0.00 0.00 58.31 53.75 1k2p n LYS 466 Cb 0.58 -3.83 0.00 0.00 -1.84 0.00 0.00 35.03 29.94 1k2p n LYS 466 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1k2p n GLN 467 N 8.14 0.00 -0.84 1.97 3.00 -1.26 -4.66 117.38 123.73 1k2p n GLN 467 Ca 0.42 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 57.12 1k2p n GLN 467 Cb 0.47 0.00 0.20 0.00 0.00 0.00 0.00 30.24 30.91 1k2p n GLN 467 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1k2p s ARG 468 N 0.00 -0.02 0.00 -1.09 1.81 -1.26 -4.62 118.95 113.77 1k2p s ARG 468 Ca 0.00 0.82 0.00 0.00 -1.72 0.00 0.00 55.73 54.83 1k2p s ARG 468 Cb 0.00 -1.66 0.00 0.00 -0.45 0.00 0.00 34.95 32.84 1k2p s ARG 468 CO 0.00 -3.11 0.00 -2.30 -0.68 0.00 0.00 175.30 169.21 1k2p n PRO 469 N -4.49 0.00 -2.62 3.54 -0.02 -1.26 -4.82 135.00 125.33 1k2p n PRO 469 Ca 0.05 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.11 1k2p n PRO 469 Cb 0.55 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.00 1k2p n PRO 469 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1k2p s ILE 470 N 0.00 4.63 0.27 4.25 1.01 -0.97 -4.67 121.20 125.73 1k2p s ILE 470 Ca 0.00 1.92 0.09 0.00 0.00 0.00 0.00 60.65 62.67 1k2p s ILE 470 Cb 0.00 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1k2p s ILE 470 CO 0.00 -0.04 0.01 -0.36 0.00 0.00 0.00 174.94 174.55 1k2p s PHE 471 N 2.36 2.69 -0.02 3.97 0.08 -0.46 -0.54 117.98 126.07 1k2p s PHE 471 Ca 0.49 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 57.28 1k2p s PHE 471 Cb -0.19 -1.24 0.01 0.00 -0.57 0.00 0.00 43.02 41.03 1k2p s PHE 471 CO 0.16 0.60 0.06 -1.50 -0.10 0.00 0.00 175.22 174.43 1k2p s ILE 472 N -2.34 0.00 -0.17 0.64 2.07 0.50 -0.82 121.20 121.07 1k2p s ILE 472 Ca 0.32 -0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.56 1k2p s ILE 472 Cb -0.06 -0.09 0.01 0.00 0.13 0.00 0.00 42.46 42.45 1k2p s ILE 472 CO 0.20 -0.00 -0.17 0.27 -1.91 0.00 0.00 174.94 173.33 1k2p s ILE 473 N 0.03 2.41 0.39 2.00 -4.36 -1.13 0.72 121.20 121.25 1k2p s ILE 473 Ca -0.00 -0.84 0.08 0.00 -0.26 0.00 0.00 60.65 59.63 1k2p s ILE 473 Cb -0.00 -2.02 -0.06 0.00 1.25 0.00 0.00 42.46 41.63 1k2p s ILE 473 CO 0.00 0.52 0.11 0.42 0.24 0.00 0.00 174.94 176.23 1k2p s THR 474 N 1.11 2.37 0.26 8.37 -4.23 -0.63 -1.06 115.64 121.84 1k2p s THR 474 Ca 0.00 -1.80 -0.29 0.00 -1.18 0.00 0.00 61.69 58.41 1k2p s THR 474 Cb -0.14 -2.95 -0.10 0.00 1.34 0.00 0.00 72.50 70.65 1k2p s THR 474 CO -0.06 -0.06 1.30 -1.83 -0.54 0.00 0.00 174.62 173.43 1k2p s GLU 475 N -3.83 4.39 0.22 3.99 -1.05 -0.76 -0.56 118.70 121.11 1k2p s GLU 475 Ca 0.39 2.12 -0.30 0.00 -0.15 0.00 0.00 54.97 57.03 1k2p s GLU 475 Cb 0.04 -3.14 -0.09 0.00 -0.44 0.00 0.00 34.13 30.50 1k2p s GLU 475 CO 0.21 -0.20 1.15 -0.47 0.95 0.00 0.00 175.26 176.90 1k2p s TYR 476 N -0.52 3.50 -0.33 4.83 5.04 -0.80 -4.56 117.35 124.50 1k2p s TYR 476 Ca 0.53 1.56 0.03 0.00 -2.44 0.00 0.00 57.07 56.75 1k2p s TYR 476 Cb -0.38 -3.36 0.10 0.00 0.35 0.00 0.00 41.96 38.67 1k2p s TYR 476 CO 0.45 -0.87 0.06 -1.64 -1.34 0.00 0.00 175.55 172.20 1k2p s MET 477 N -0.76 1.35 0.40 4.97 -1.94 -1.26 -4.94 119.30 117.11 1k2p s MET 477 Ca 0.49 -1.72 0.20 0.00 -1.71 0.00 0.00 55.69 52.95 1k2p s MET 477 Cb -0.32 -2.98 1.15 0.00 2.01 0.00 0.00 34.83 34.70 1k2p s MET 477 CO 0.39 -0.94 1.74 0.00 -0.01 0.00 0.00 175.02 176.20 1k2p h ALA 478 N 7.70 2.29 -0.01 3.03 0.00 -1.82 -1.40 119.26 129.05 1k2p h ALA 478 Ca -0.06 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1k2p h ALA 478 Cb 1.02 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1k2p h ALA 478 CO 0.51 -0.74 -0.05 0.09 0.00 0.00 0.00 179.25 179.05 1k2p n ASN 479 N -4.66 1.52 0.00 0.00 5.03 0.61 -4.92 115.26 112.84 1k2p n ASN 479 Ca 0.28 -1.42 0.00 0.00 0.87 0.00 0.00 54.58 54.31 1k2p n ASN 479 Cb 0.97 0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.76 1k2p n ASN 479 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k2p n GLY 480 N 1.22 -0.21 3.85 7.41 0.00 -0.53 -4.60 105.19 112.32 1k2p n GLY 480 Ca 0.17 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 1k2p n GLY 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2p h LEU 482 N 1.98 0.48 -0.07 0.00 5.85 -0.11 -1.15 115.31 122.29 1k2p h LEU 482 Ca -0.48 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.26 1k2p h LEU 482 Cb 1.18 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1k2p h LEU 482 CO 0.64 0.28 0.01 0.25 -0.34 0.00 0.00 178.44 179.29 1k2p h LEU 483 N 0.53 0.00 -0.75 2.25 5.85 -1.77 0.13 115.31 121.55 1k2p h LEU 483 Ca 0.33 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 1k2p h LEU 483 Cb 0.56 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1k2p h LEU 483 CO -0.11 0.01 0.02 -1.13 -0.34 0.00 0.00 178.44 176.89 1k2p h ASN 484 N 0.04 0.94 -0.54 1.25 -1.24 -1.72 -2.92 115.58 111.39 1k2p h ASN 484 Ca 0.03 -0.24 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 1k2p h ASN 484 Cb 0.02 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 1k2p h ASN 484 CO -0.04 0.98 0.29 0.22 -1.29 0.00 0.00 177.43 177.59 1k2p h TYR 485 N 0.89 0.75 0.00 0.67 3.20 -0.73 -1.33 116.97 120.42 1k2p h TYR 485 Ca 0.17 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1k2p h TYR 485 Cb 0.50 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1k2p h TYR 485 CO 0.03 0.56 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.92 1k2p h LEU 486 N 0.72 0.00 0.00 2.82 4.07 -0.58 -3.22 115.31 119.12 1k2p h LEU 486 Ca 0.19 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.79 1k2p h LEU 486 Cb 0.07 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.74 1k2p h LEU 486 CO -0.03 0.12 -2.34 0.54 -1.08 0.00 0.00 178.44 175.65 1k2p n ARG 487 N -3.92 0.80 0.00 1.13 1.74 -1.08 -4.38 116.66 110.95 1k2p n ARG 487 Ca -0.02 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1k2p n ARG 487 Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1k2p n ARG 487 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1k2p n GLU 488 N -2.75 0.96 -0.28 5.56 0.28 -0.52 -4.52 120.64 119.36 1k2p n GLU 488 Ca -0.32 0.00 0.31 0.00 -0.16 0.00 0.00 57.16 56.99 1k2p n GLU 488 Cb 1.13 0.00 0.70 0.00 1.43 0.00 0.00 31.44 34.70 1k2p n GLU 488 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1k2p h MET 489 N 0.00 0.06 0.00 3.44 2.86 -1.88 0.15 114.93 119.56 1k2p h MET 489 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1k2p h MET 489 Cb 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1k2p h MET 489 CO 0.00 0.04 0.00 0.54 1.06 0.00 0.00 176.91 178.55 1k2p n ARG 490 N -4.28 0.34 -0.43 1.72 3.00 -1.26 -4.08 116.66 111.67 1k2p n ARG 490 Ca 0.23 0.09 0.37 0.00 -0.01 0.00 0.00 57.85 58.53 1k2p n ARG 490 Cb 1.10 -1.50 0.63 0.00 0.00 0.00 0.00 32.46 32.69 1k2p n ARG 490 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1k2p n HIS 491 N -1.24 0.72 -2.38 -1.55 -0.00 0.53 -3.50 115.22 107.81 1k2p n HIS 491 Ca 0.10 0.72 -0.37 0.00 0.46 0.00 0.00 57.72 58.63 1k2p n HIS 491 Cb 0.14 -1.15 -0.02 0.00 -0.12 0.00 0.00 29.99 28.84 1k2p n HIS 491 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1k2p s ARG 492 N -5.19 3.39 0.00 1.57 3.00 -1.26 -4.89 118.95 115.58 1k2p s ARG 492 Ca -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 55.73 54.03 1k2p s ARG 492 Cb 0.30 -5.42 0.00 0.00 0.00 0.00 0.00 34.95 29.83 1k2p s ARG 492 CO 0.77 -2.93 0.00 1.19 0.00 0.00 0.00 175.30 174.33 1k2p n PHE 493 N 10.78 0.00 -3.64 -0.53 3.72 -1.23 -5.16 117.46 121.40 1k2p n PHE 493 Ca 0.47 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.85 1k2p n PHE 493 Cb 0.46 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.96 1k2p n PHE 493 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1k2p s GLN 494 N 3.72 0.06 0.40 -1.08 -2.07 -1.26 -5.02 119.66 114.41 1k2p s GLN 494 Ca 0.00 0.02 0.22 0.00 -1.82 0.00 0.00 55.36 53.78 1k2p s GLN 494 Cb 0.00 0.03 1.22 0.00 -1.09 0.00 0.00 33.01 33.17 1k2p s GLN 494 CO 0.00 -0.02 1.68 1.15 -1.32 0.00 0.00 175.29 176.78 1k2p h THR 495 N 2.16 0.30 -0.63 3.63 2.02 -1.99 0.19 112.91 118.58 1k2p h THR 495 Ca -0.10 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.05 1k2p h THR 495 Cb 1.19 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1k2p h THR 495 CO 0.22 0.05 0.34 1.56 0.37 0.00 0.00 175.52 178.05 1k2p h GLN 496 N 0.25 0.61 0.00 6.66 7.50 -1.98 0.27 115.11 128.43 1k2p h GLN 496 Ca 0.72 -0.04 -0.13 0.00 0.50 0.00 0.00 58.65 59.70 1k2p h GLN 496 Cb 1.97 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 29.34 1k2p h GLN 496 CO -0.44 0.41 -0.63 1.96 -1.50 0.00 0.00 178.83 178.62 1k2p h GLN 497 N 0.63 0.00 -0.18 1.46 4.20 -1.37 -2.51 115.11 117.33 1k2p h GLN 497 Ca 0.28 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.90 1k2p h GLN 497 Cb 0.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1k2p h GLN 497 CO -0.18 0.63 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.28 1k2p h LEU 498 N 0.00 0.55 -0.55 1.46 4.07 -0.75 -2.75 115.31 117.34 1k2p h LEU 498 Ca -0.01 -0.52 -0.14 0.00 0.08 0.00 0.00 57.88 57.30 1k2p h LEU 498 Cb 1.29 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 1k2p h LEU 498 CO 0.08 0.96 -0.32 0.25 -1.08 0.00 0.00 178.44 178.33 1k2p h LEU 499 N 0.16 0.87 -0.80 1.67 5.85 -0.99 -2.83 115.31 119.23 1k2p h LEU 499 Ca 0.02 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.47 1k2p h LEU 499 Cb 0.84 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 1k2p h LEU 499 CO 0.06 1.11 0.44 -0.08 -0.34 0.00 0.00 178.44 179.64 1k2p h GLU 500 N 0.70 0.72 -0.62 1.25 4.57 -1.44 -0.76 114.58 118.99 1k2p h GLU 500 Ca 0.07 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1k2p h GLU 500 Cb 0.87 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 1k2p h GLU 500 CO 0.08 0.47 0.21 0.52 -1.18 0.00 0.00 179.01 179.12 1k2p h MET 501 N 0.74 0.95 -0.70 1.92 2.86 -1.30 -1.08 114.93 118.33 1k2p h MET 501 Ca 0.39 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1k2p h MET 501 Cb 0.38 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1k2p h MET 501 CO -0.26 0.83 0.29 0.00 1.06 0.00 0.00 176.91 178.84 1k2p h LYS 503 N 1.01 0.24 -0.66 0.00 3.64 -0.72 -0.19 116.57 119.89 1k2p h LYS 503 Ca 0.24 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.67 1k2p h LYS 503 Cb 0.17 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.88 1k2p h LYS 503 CO -0.02 0.35 0.28 -0.44 -2.27 0.00 0.00 179.45 177.35 1k2p h ASP 504 N 0.08 0.31 -0.35 4.20 3.45 -1.00 0.94 116.42 124.06 1k2p h ASP 504 Ca 0.05 0.07 -0.16 0.00 0.43 0.00 0.00 57.03 57.43 1k2p h ASP 504 Cb 0.21 0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.01 1k2p h ASP 504 CO -0.00 0.18 -0.41 0.58 -1.57 0.00 0.00 179.24 178.02 1k2p h VAL 505 N 0.48 1.28 0.00 -1.35 2.07 -1.34 -2.82 116.25 114.57 1k2p h VAL 505 Ca 0.33 -1.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1k2p h VAL 505 Cb 0.40 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1k2p h VAL 505 CO -0.30 0.52 -0.25 0.00 0.02 0.00 0.00 177.57 177.57 1k2p h GLU 507 N 0.00 0.81 -0.10 0.00 5.08 -0.71 -0.19 114.58 119.47 1k2p h GLU 507 Ca -0.00 -0.54 -0.16 0.00 -1.00 0.00 0.00 59.36 57.65 1k2p h GLU 507 Cb 0.57 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1k2p h GLU 507 CO 0.03 1.17 -0.65 0.00 -1.00 0.00 0.00 179.01 178.56 1k2p h ALA 508 N 0.64 0.71 -0.13 3.43 0.00 -1.22 -2.86 119.26 119.82 1k2p h ALA 508 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 1k2p h ALA 508 Cb 1.17 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1k2p h ALA 508 CO 0.12 0.74 -0.63 0.52 0.00 0.00 0.00 179.25 180.00 1k2p h MET 509 N 0.27 0.67 -0.86 0.00 2.86 -0.99 -2.42 114.93 114.45 1k2p h MET 509 Ca -0.01 -0.54 0.03 0.00 -2.06 0.00 0.00 59.70 57.12 1k2p h MET 509 Cb 1.19 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.91 1k2p h MET 509 CO 0.11 1.15 0.55 1.49 1.06 0.00 0.00 176.91 181.28 1k2p h GLU 510 N 0.34 1.05 -0.54 1.72 4.81 -1.07 -1.14 114.58 119.75 1k2p h GLU 510 Ca -0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1k2p h GLU 510 Cb 1.27 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1k2p h GLU 510 CO 0.13 0.69 0.29 -0.92 -0.73 0.00 0.00 179.01 178.48 1k2p h TYR 511 N 1.08 0.75 -0.52 0.92 3.20 -1.46 -2.16 116.97 118.77 1k2p h TYR 511 Ca 0.34 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 1k2p h TYR 511 Cb -0.01 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1k2p h TYR 511 CO -0.02 0.55 0.22 -0.07 -1.64 0.00 0.00 178.16 177.20 1k2p h LEU 512 N 0.73 0.71 -0.65 2.82 3.38 -0.89 -2.74 115.31 118.67 1k2p h LEU 512 Ca 0.19 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1k2p h LEU 512 Cb 0.06 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1k2p h LEU 512 CO -0.03 0.67 0.32 -0.08 0.09 0.00 0.00 178.44 179.41 1k2p h GLU 513 N 0.71 0.55 0.00 1.13 4.81 -0.97 0.48 114.58 121.29 1k2p h GLU 513 Ca 0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1k2p h GLU 513 Cb 0.17 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1k2p h GLU 513 CO -0.02 0.36 0.00 0.66 -0.73 0.00 0.00 179.01 179.29 1k2p h SER 514 N 0.57 0.00 -0.53 1.04 4.64 -1.16 -1.62 113.55 116.48 1k2p h SER 514 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1k2p h SER 514 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1k2p h SER 514 CO -0.24 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.01 1k2p n LYS 515 N -2.69 3.05 -3.02 4.77 4.76 0.05 -4.96 118.16 120.13 1k2p n LYS 515 Ca 0.00 -2.51 -0.19 0.00 -2.87 0.00 0.00 58.31 52.74 1k2p n LYS 515 Cb 0.22 -1.56 -0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1k2p n LYS 515 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1k2p n GLN 516 N 0.91 -3.17 -3.94 1.97 3.00 -0.61 -4.93 117.38 110.62 1k2p n GLN 516 Ca 0.20 0.55 -0.35 0.00 -0.01 0.00 0.00 57.00 57.38 1k2p n GLN 516 Cb 0.64 -5.23 -0.13 0.00 0.00 0.00 0.00 30.24 25.52 1k2p n GLN 516 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1k2p s PHE 517 N -2.84 3.01 -0.02 1.08 5.36 -0.56 -2.53 117.98 121.49 1k2p s PHE 517 Ca 0.25 -0.66 -0.00 0.00 -0.96 0.00 0.00 56.93 55.56 1k2p s PHE 517 Cb -0.13 -2.12 -0.04 0.00 -0.34 0.00 0.00 43.02 40.39 1k2p s PHE 517 CO 0.31 -0.40 0.06 -0.48 -1.46 0.00 0.00 175.22 173.25 1k2p s LEU 518 N 1.34 3.80 -0.49 6.12 0.05 -1.10 -4.10 118.68 124.30 1k2p s LEU 518 Ca 0.04 0.12 -0.14 0.00 0.05 0.00 0.00 54.13 54.21 1k2p s LEU 518 Cb -0.15 -2.16 0.10 0.00 -2.05 0.00 0.00 46.19 41.94 1k2p s LEU 518 CO 0.00 0.29 0.40 -2.28 -0.55 0.00 0.00 176.35 174.22 1k2p s HIS 519 N -1.13 3.29 -2.00 3.48 5.65 -1.26 -3.40 115.29 119.91 1k2p s HIS 519 Ca 0.21 -1.30 0.11 0.00 0.25 0.00 0.00 55.06 54.33 1k2p s HIS 519 Cb -0.12 -3.41 0.67 0.00 -1.18 0.00 0.00 32.58 28.54 1k2p s HIS 519 CO 0.11 -0.91 1.30 0.54 -0.65 0.00 0.00 174.74 175.13 1k2p n ARG 520 N 5.13 0.84 -2.95 2.88 1.74 -1.26 -4.08 116.66 118.96 1k2p n ARG 520 Ca -0.12 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 1k2p n ARG 520 Cb 0.42 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1k2p n ARG 520 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1k2p n ASP 521 N -0.71 -1.41 -4.66 0.55 2.03 -1.26 -5.04 116.55 106.05 1k2p n ASP 521 Ca 0.08 -3.10 -0.40 0.00 0.52 0.00 0.00 54.79 51.90 1k2p n ASP 521 Cb 0.04 0.74 -0.06 0.00 -0.72 0.00 0.00 41.12 41.11 1k2p n ASP 521 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1k2p s LEU 522 N -1.19 4.13 0.22 -2.67 0.20 -1.26 -4.84 118.68 113.28 1k2p s LEU 522 Ca 0.33 0.74 -0.22 0.00 0.69 0.00 0.00 54.13 55.66 1k2p s LEU 522 Cb 0.22 -2.79 0.04 0.00 -0.43 0.00 0.00 46.19 43.24 1k2p s LEU 522 CO -0.16 -0.24 0.67 0.00 -0.29 0.00 0.00 176.35 176.33 1k2p s ALA 523 N 1.85 -1.41 0.46 5.97 0.00 -1.26 -4.66 121.76 122.71 1k2p s ALA 523 Ca 0.26 0.07 0.16 0.00 0.00 0.00 0.00 51.96 52.45 1k2p s ALA 523 Cb -0.16 0.86 1.08 0.00 0.00 0.00 0.00 23.12 24.91 1k2p s ALA 523 CO 0.10 -0.91 2.02 0.00 0.00 0.00 0.00 175.76 176.97 1k2p h ALA 524 N 2.00 1.70 0.00 0.00 0.00 -1.93 -1.46 119.26 119.57 1k2p h ALA 524 Ca -0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1k2p h ALA 524 Cb 1.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1k2p h ALA 524 CO 0.30 0.19 -0.07 0.07 0.00 0.00 0.00 179.25 179.74 1k2p h ARG 525 N 0.00 0.00 -0.13 0.00 0.11 -1.96 -2.42 114.38 109.98 1k2p h ARG 525 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1k2p h ARG 525 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1k2p h ARG 525 CO 0.02 0.07 0.00 0.09 0.10 0.00 0.00 179.97 180.25 1k2p n ASN 526 N -3.88 2.07 -4.76 0.08 4.13 -0.55 -4.78 115.26 107.55 1k2p n ASN 526 Ca -0.02 -1.73 -0.32 0.00 1.68 0.00 0.00 54.58 54.18 1k2p n ASN 526 Cb 0.16 -0.08 -0.07 0.00 -1.54 0.00 0.00 39.78 38.25 1k2p n ASN 526 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1k2p s LEU 528 N -1.85 2.49 -0.11 0.00 1.43 -0.12 0.39 118.68 120.92 1k2p s LEU 528 Ca 0.24 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 1k2p s LEU 528 Cb -0.12 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.03 1k2p s LEU 528 CO 0.15 0.06 -0.19 -0.69 0.23 0.00 0.00 176.35 175.91 1k2p s VAL 529 N -2.07 1.73 0.08 -1.59 1.01 0.12 -0.76 120.40 118.92 1k2p s VAL 529 Ca 0.23 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1k2p s VAL 529 Cb -0.06 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1k2p s VAL 529 CO 0.11 0.49 0.10 -0.46 0.00 0.00 0.00 175.10 175.34 1k2p n ASN 530 N 3.97 0.02 0.14 3.32 0.23 -0.49 -0.28 115.26 122.16 1k2p n ASN 530 Ca -0.20 -1.04 0.13 0.00 -0.53 0.00 0.00 54.58 52.94 1k2p n ASN 530 Cb 0.52 -0.08 0.44 0.00 -2.08 0.00 0.00 39.78 38.58 1k2p n ASN 530 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1k2p h ASP 531 N -0.13 0.00 0.12 0.53 3.58 -1.91 -2.74 116.42 115.87 1k2p h ASP 531 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1k2p h ASP 531 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1k2p h ASP 531 CO 0.02 0.00 -0.08 0.00 -2.88 0.00 0.00 179.24 176.31 1k2p n GLN 532 N -2.38 1.19 -0.67 0.28 3.00 -1.26 -4.90 117.38 112.64 1k2p n GLN 532 Ca 0.04 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 1k2p n GLN 532 Cb 0.36 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.11 1k2p n GLN 532 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1k2p n GLY 533 N 1.21 0.83 3.76 1.08 0.00 -1.03 -5.02 105.19 106.01 1k2p n GLY 533 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1k2p n GLY 533 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k2p s VAL 534 N -3.28 3.17 -0.18 1.61 1.01 -1.26 -4.76 120.40 116.72 1k2p s VAL 534 Ca 0.00 1.10 -0.08 0.00 0.00 0.00 0.00 61.98 63.00 1k2p s VAL 534 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1k2p s VAL 534 CO 0.00 0.23 0.10 -0.69 0.00 0.00 0.00 175.10 174.74 1k2p s VAL 535 N -0.75 5.12 0.05 2.92 1.01 -1.26 -1.40 120.40 126.09 1k2p s VAL 535 Ca 0.50 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.61 1k2p s VAL 535 Cb -0.36 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1k2p s VAL 535 CO 0.44 0.48 -0.14 -0.54 0.00 0.00 0.00 175.10 175.34 1k2p s LYS 536 N 0.10 0.92 0.11 2.72 1.02 0.06 -4.57 119.74 120.11 1k2p s LYS 536 Ca 0.07 -0.81 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 1k2p s LYS 536 Cb -0.12 -0.93 -0.07 0.00 -0.52 0.00 0.00 37.83 36.19 1k2p s LYS 536 CO -0.00 0.23 0.54 0.14 -0.92 0.00 0.00 175.35 175.33 1k2p s VAL 537 N -0.94 4.85 0.00 3.17 -7.23 -0.41 -0.94 120.40 118.90 1k2p s VAL 537 Ca 0.01 0.92 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 1k2p s VAL 537 Cb -0.08 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.08 1k2p s VAL 537 CO 0.01 0.36 0.00 -1.54 -0.31 0.00 0.00 175.10 173.62 1k2p n SER 538 N 1.14 0.28 -4.15 4.85 3.41 -0.63 -1.23 113.62 117.28 1k2p n SER 538 Ca -0.07 -0.17 -0.31 0.00 -0.26 0.00 0.00 58.87 58.06 1k2p n SER 538 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1k2p n SER 538 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1k2p n ASP 539 N -0.46 -1.17 -1.00 4.04 8.00 -1.26 -4.83 116.55 119.87 1k2p n ASP 539 Ca 0.00 -1.07 0.03 0.00 0.71 0.00 0.00 54.79 54.46 1k2p n ASP 539 Cb 0.00 -2.60 0.23 0.00 -0.02 0.00 0.00 41.12 38.73 1k2p n ASP 539 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1k2p n PHE 540 N -4.41 1.03 0.34 1.24 -1.74 -1.26 -4.75 117.46 107.92 1k2p n PHE 540 Ca -0.16 -1.15 -0.16 0.00 -0.56 0.00 0.00 57.45 55.42 1k2p n PHE 540 Cb 0.61 -0.39 -0.08 0.00 1.52 0.00 0.00 39.48 41.14 1k2p n PHE 540 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 1k2p h GLY 541 N 1.46 -1.14 2.00 4.97 0.00 -1.98 -2.75 103.07 105.62 1k2p h GLY 541 Ca 0.09 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1k2p h GLY 541 CO 0.30 -0.38 0.00 -0.10 0.00 0.00 0.00 176.54 176.36 1k2p n LEU 542 N -4.88 0.51 -4.49 3.11 7.94 -1.26 -4.84 117.00 113.09 1k2p n LEU 542 Ca -0.12 0.64 -0.39 0.00 -1.11 0.00 0.00 56.01 55.03 1k2p n LEU 542 Cb 0.40 -0.58 0.03 0.00 0.53 0.00 0.00 43.42 43.80 1k2p n LEU 542 CO 0.27 -0.53 0.15 -1.20 -1.11 0.00 0.00 177.39 174.97 1k2p n SER 543 N -2.08 -0.69 -4.55 1.96 7.64 -1.04 -4.96 113.62 109.90 1k2p n SER 543 Ca 0.02 0.78 -0.35 0.00 1.01 0.00 0.00 58.87 60.33 1k2p n SER 543 Cb 0.19 -1.20 -0.11 0.00 -1.01 0.00 0.00 64.21 62.08 1k2p n SER 543 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1k2p s ARG 544 N -2.11 3.82 -1.12 1.43 1.81 -1.22 -4.94 118.95 116.63 1k2p s ARG 544 Ca 0.69 -0.42 -0.21 0.00 -1.72 0.00 0.00 55.73 54.07 1k2p s ARG 544 Cb -0.46 -3.19 0.07 0.00 -0.45 0.00 0.00 34.95 30.92 1k2p s ARG 544 CO 0.54 0.13 1.53 -0.47 -0.68 0.00 0.00 175.30 176.34 1k2p s TYR 545 N 0.74 2.69 -0.33 -0.53 6.14 -1.26 -2.71 117.35 122.09 1k2p s TYR 545 Ca 0.02 -1.19 -0.29 0.00 0.64 0.00 0.00 57.07 56.25 1k2p s TYR 545 Cb -0.14 -4.68 0.02 0.00 0.42 0.00 0.00 41.96 37.58 1k2p s TYR 545 CO 0.02 -1.84 1.10 0.08 0.64 0.00 0.00 175.55 175.54 1k2p s VAL 546 N 4.44 4.45 0.18 3.14 1.01 -1.05 -4.93 120.40 127.64 1k2p s VAL 546 Ca 0.48 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 64.01 1k2p s VAL 546 Cb 0.01 -4.41 0.09 0.00 0.00 0.00 0.00 36.38 32.06 1k2p s VAL 546 CO -0.04 -0.52 1.74 -0.07 0.00 0.00 0.00 175.10 176.21 1k2p h LEU 547 N 10.24 0.85 -9.79 3.92 4.07 -1.92 -3.43 115.31 119.26 1k2p h LEU 547 Ca -0.21 -0.16 -0.55 0.00 0.08 0.00 0.00 57.88 57.04 1k2p h LEU 547 Cb 1.06 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 42.55 1k2p h LEU 547 CO 1.04 0.78 0.03 1.51 -1.08 0.00 0.00 178.44 180.72 1k2p s ASP 548 N -6.11 7.04 0.49 -0.43 -4.77 -1.26 -4.99 116.67 106.64 1k2p s ASP 548 Ca -0.13 1.31 0.21 0.00 -3.30 0.00 0.00 52.55 50.64 1k2p s ASP 548 Cb 0.13 -2.38 1.26 0.00 -1.09 0.00 0.00 42.92 40.84 1k2p s ASP 548 CO 0.80 0.15 2.05 -2.24 0.70 0.00 0.00 175.17 176.63 1k2p h ASP 549 N 3.90 0.00 -3.08 2.11 3.04 -2.01 -3.40 116.42 116.97 1k2p h ASP 549 Ca -0.48 0.00 -0.62 0.00 -3.24 0.00 0.00 57.03 52.68 1k2p h ASP 549 Cb 1.20 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.39 1k2p h ASP 549 CO 0.65 0.14 -0.49 -0.70 -2.04 0.00 0.00 179.24 176.80 1k2p s GLU 550 N -4.49 3.97 -0.03 4.15 -6.30 -1.26 -4.74 118.70 110.00 1k2p s GLU 550 Ca -0.04 -0.19 0.05 0.00 -2.50 0.00 0.00 54.97 52.29 1k2p s GLU 550 Cb 0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 34.13 30.90 1k2p s GLU 550 CO 0.64 0.44 -0.19 -0.47 0.02 0.00 0.00 175.26 175.71 1k2p s TYR 551 N -0.05 2.57 0.16 5.30 5.04 -1.12 -5.04 117.35 124.21 1k2p s TYR 551 Ca 0.10 -0.26 0.10 0.00 -2.44 0.00 0.00 57.07 54.57 1k2p s TYR 551 Cb -0.11 -1.57 -0.04 0.00 0.35 0.00 0.00 41.96 40.58 1k2p s TYR 551 CO -0.00 0.12 -0.22 0.95 -1.34 0.00 0.00 175.55 175.06 1k2p s THR 552 N -0.71 2.06 0.00 4.34 -4.23 -1.26 -3.57 115.64 112.27 1k2p s THR 552 Ca 0.11 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1k2p s THR 552 Cb -0.10 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1k2p s THR 552 CO 0.00 -0.17 0.00 -0.24 -0.54 0.00 0.00 174.62 173.68 1k2p n SER 553 N 0.44 0.26 -0.12 3.99 2.88 -1.26 -5.02 113.62 114.78 1k2p n SER 553 Ca -0.14 -0.54 -0.25 0.00 -1.33 0.00 0.00 58.87 56.61 1k2p n SER 553 Cb 0.56 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.94 1k2p n SER 553 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1k2p n SER 554 N -1.49 1.89 -1.53 -3.46 2.88 -1.26 -5.13 113.62 105.52 1k2p n SER 554 Ca 0.00 0.33 0.04 0.00 -1.33 0.00 0.00 58.87 57.91 1k2p n SER 554 Cb 0.00 -0.78 -0.02 0.00 -0.75 0.00 0.00 64.21 62.66 1k2p n SER 554 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1k2p n VAL 555 N -4.25 -2.30 -1.68 2.46 0.24 -1.26 -5.12 118.33 106.43 1k2p n VAL 555 Ca -0.45 1.26 0.00 0.00 -2.04 0.00 0.00 64.34 63.12 1k2p n VAL 555 Cb 0.80 -2.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.10 1k2p n VAL 555 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k2p n GLY 556 N -3.03 0.30 5.00 7.63 0.00 -1.26 -5.07 105.19 108.76 1k2p n GLY 556 Ca -0.02 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1k2p n GLY 556 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k2p n SER 557 N 0.00 0.00 -3.58 1.61 7.64 -1.26 -4.64 113.62 113.38 1k2p n SER 557 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1k2p n SER 557 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1k2p n SER 557 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1k2p s LYS 558 N 0.00 0.14 -0.02 1.43 2.47 -1.26 -5.18 119.74 117.33 1k2p s LYS 558 Ca 0.00 -0.07 0.01 0.00 -1.56 0.00 0.00 55.97 54.35 1k2p s LYS 558 Cb 0.00 0.05 0.01 0.00 -1.46 0.00 0.00 37.83 36.43 1k2p s LYS 558 CO 0.00 -0.06 -0.03 0.12 0.16 0.00 0.00 175.35 175.54 1k2p s PHE 559 N -2.15 0.37 -1.33 4.03 2.19 -1.26 -5.02 117.98 114.80 1k2p s PHE 559 Ca 0.14 -0.06 -0.15 0.00 0.33 0.00 0.00 56.93 57.20 1k2p s PHE 559 Cb 0.06 -0.33 -0.02 0.00 -1.31 0.00 0.00 43.02 41.42 1k2p s PHE 559 CO -0.05 -0.06 2.26 -0.35 1.83 0.00 0.00 175.22 178.84 1k2p n PRO 560 N 3.47 2.68 -0.35 10.12 -0.04 -1.26 -4.74 135.00 144.88 1k2p n PRO 560 Ca -0.19 -2.37 0.25 0.00 -0.04 0.00 0.00 63.50 61.15 1k2p n PRO 560 Cb 0.55 -3.13 0.52 0.00 -0.04 0.00 0.00 33.50 31.40 1k2p n PRO 560 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1k2p h VAL 561 N 3.94 0.44 0.00 0.52 2.07 -1.95 -2.12 116.25 119.15 1k2p h VAL 561 Ca 0.58 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.98 1k2p h VAL 561 Cb 0.58 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1k2p h VAL 561 CO 1.87 0.06 0.00 0.54 0.02 0.00 0.00 177.57 180.07 1k2p n ARG 562 N -4.70 0.10 -0.17 1.57 1.74 -1.26 -1.96 116.66 111.97 1k2p n ARG 562 Ca 0.28 0.23 0.04 0.00 -0.77 0.00 0.00 57.85 57.64 1k2p n ARG 562 Cb 0.97 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.97 1k2p n ARG 562 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1k2p n TRP 563 N -1.35 0.00 -4.68 -1.55 8.01 -0.80 -4.92 117.44 112.15 1k2p n TRP 563 Ca 0.04 -0.52 -0.33 0.00 -1.31 0.00 0.00 57.50 55.38 1k2p n TRP 563 Cb 0.09 -0.09 -0.13 0.00 -2.01 0.00 0.00 31.31 29.18 1k2p n TRP 563 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 1k2p s SER 564 N -1.69 4.38 0.67 -0.99 0.01 -0.83 -3.61 113.70 111.63 1k2p s SER 564 Ca 0.14 -0.16 -0.13 0.00 1.31 0.00 0.00 55.95 57.10 1k2p s SER 564 Cb 0.12 -1.36 -0.00 0.00 0.21 0.00 0.00 66.02 64.99 1k2p s SER 564 CO 0.01 0.26 1.07 -2.16 0.41 0.00 0.00 173.24 172.84 1k2p s PRO 565 N -0.23 2.92 0.36 12.44 0.04 -1.26 -4.78 135.00 144.49 1k2p s PRO 565 Ca 0.02 1.17 0.13 0.00 0.04 0.00 0.00 61.00 62.36 1k2p s PRO 565 Cb -0.13 -1.98 0.95 0.00 0.04 0.00 0.00 34.50 33.38 1k2p s PRO 565 CO 0.03 -1.13 1.77 -1.00 0.04 0.00 0.00 177.00 176.71 1k2p h PRO 566 N -0.22 0.52 0.00 0.56 0.13 -1.96 0.18 132.00 131.21 1k2p h PRO 566 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1k2p h PRO 566 Cb 1.22 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1k2p h PRO 566 CO 0.55 0.35 0.00 -0.85 -0.23 0.00 0.00 178.00 177.82 1k2p n GLU 567 N -4.71 0.18 -0.02 0.86 0.00 -1.26 0.06 120.64 115.74 1k2p n GLU 567 Ca 0.25 0.41 -0.17 0.00 0.00 0.00 0.00 57.16 57.64 1k2p n GLU 567 Cb 0.75 -1.84 -0.14 0.00 0.00 0.00 0.00 31.44 30.21 1k2p n GLU 567 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1k2p n VAL 568 N -2.18 1.68 0.14 3.84 0.31 -0.07 -1.49 118.33 120.56 1k2p n VAL 568 Ca 0.02 -0.70 0.03 0.00 -0.01 0.00 0.00 64.34 63.69 1k2p n VAL 568 Cb 0.23 -1.44 0.43 0.00 -0.91 0.00 0.00 33.84 32.15 1k2p n VAL 568 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1k2p h LEU 569 N 0.04 0.19 0.09 7.52 4.07 0.03 -1.52 115.31 125.73 1k2p h LEU 569 Ca -0.41 -0.03 -0.35 0.00 0.08 0.00 0.00 57.88 57.17 1k2p h LEU 569 Cb 2.03 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 43.69 1k2p h LEU 569 CO 0.06 0.31 -1.94 0.23 -1.08 0.00 0.00 178.44 176.03 1k2p n MET 570 N -4.32 0.72 -2.23 1.13 2.81 0.11 -4.80 117.12 110.54 1k2p n MET 570 Ca -0.01 0.27 -0.03 0.00 -1.81 0.00 0.00 57.70 56.12 1k2p n MET 570 Cb 0.23 -1.73 0.08 0.00 -0.71 0.00 0.00 33.22 31.09 1k2p n MET 570 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1k2p n TYR 571 N -3.36 -1.46 -4.11 2.03 0.18 -1.17 -5.03 117.16 104.24 1k2p n TYR 571 Ca -0.28 -1.40 -0.33 0.00 1.88 0.00 0.00 57.90 57.77 1k2p n TYR 571 Cb 1.05 1.24 -0.02 0.00 -0.38 0.00 0.00 39.34 41.24 1k2p n TYR 571 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1k2p n SER 572 N -1.12 -2.78 -4.41 9.48 7.64 -0.57 -4.87 113.62 116.98 1k2p n SER 572 Ca -0.20 -0.98 -0.43 0.00 1.01 0.00 0.00 58.87 58.27 1k2p n SER 572 Cb 0.83 -3.00 0.00 0.00 -1.01 0.00 0.00 64.21 61.04 1k2p n SER 572 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1k2p n LYS 573 N -4.44 3.29 -2.69 1.43 4.81 -0.55 -4.40 118.16 115.60 1k2p n LYS 573 Ca -0.03 -3.51 -0.34 0.00 -0.87 0.00 0.00 58.31 53.57 1k2p n LYS 573 Cb 0.54 -3.23 -0.05 0.00 0.02 0.00 0.00 35.03 32.31 1k2p n LYS 573 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1k2p s PHE 574 N 2.63 3.19 0.00 5.64 0.40 -1.23 -4.41 117.98 124.19 1k2p s PHE 574 Ca 0.47 1.60 0.00 0.00 -0.60 0.00 0.00 56.93 58.41 1k2p s PHE 574 Cb 0.02 -2.95 0.00 0.00 0.51 0.00 0.00 43.02 40.60 1k2p s PHE 574 CO 0.03 -0.42 0.00 -1.13 0.70 0.00 0.00 175.22 174.39 1k2p n SER 575 N -0.71 0.00 0.05 1.36 3.41 -1.26 -2.78 113.62 113.68 1k2p n SER 575 Ca 0.08 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.52 1k2p n SER 575 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1k2p n SER 575 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k2p h SER 576 N 0.00 0.58 0.65 4.04 4.64 -1.96 -3.11 113.55 118.39 1k2p h SER 576 Ca 0.00 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1k2p h SER 576 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1k2p h SER 576 CO 0.00 1.18 0.00 0.29 -0.87 0.00 0.00 176.83 177.43 1k2p n LYS 577 N -3.82 0.06 0.09 4.77 4.76 -1.26 -2.05 118.16 120.71 1k2p n LYS 577 Ca -0.06 0.27 -0.22 0.00 -2.87 0.00 0.00 58.31 55.43 1k2p n LYS 577 Cb 0.76 -1.61 -0.13 0.00 -1.84 0.00 0.00 35.03 32.20 1k2p n LYS 577 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1k2p h SER 578 N 0.00 0.83 -0.55 4.39 0.02 -1.88 -2.69 113.55 113.67 1k2p h SER 578 Ca 0.00 -0.84 -0.10 0.00 -0.84 0.00 0.00 61.79 60.01 1k2p h SER 578 Cb 0.32 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1k2p h SER 578 CO 0.00 1.58 -0.04 0.44 -1.14 0.00 0.00 176.83 177.67 1k2p h ASP 579 N 0.19 1.00 -0.46 3.07 5.19 -1.50 -2.23 116.42 121.68 1k2p h ASP 579 Ca -0.18 -0.30 0.04 0.00 -0.62 0.00 0.00 57.03 55.97 1k2p h ASP 579 Cb 1.88 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 41.08 1k2p h ASP 579 CO 0.23 1.08 0.22 0.40 -3.12 0.00 0.00 179.24 178.05 1k2p h ILE 580 N 0.92 0.95 0.18 0.35 5.03 -1.44 0.28 117.51 123.78 1k2p h ILE 580 Ca 0.16 -0.15 -0.01 0.00 -0.12 0.00 0.00 64.86 64.74 1k2p h ILE 580 Cb 0.59 0.47 0.00 0.00 -3.03 0.00 0.00 36.82 34.85 1k2p h ILE 580 CO 0.04 0.08 -0.10 -0.25 -0.68 0.00 0.00 178.15 177.24 1k2p h TRP 581 N 0.44 -0.25 -0.49 1.37 2.91 -1.32 -0.27 115.95 118.35 1k2p h TRP 581 Ca 0.20 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.24 1k2p h TRP 581 Cb 0.12 0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.83 1k2p h TRP 581 CO -0.11 -0.15 0.33 0.00 -1.03 0.00 0.00 178.44 177.47 1k2p h ALA 582 N 0.56 1.71 -0.41 2.65 0.00 -1.08 -1.70 119.26 120.99 1k2p h ALA 582 Ca -0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1k2p h ALA 582 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1k2p h ALA 582 CO 0.03 0.25 -0.23 0.35 0.00 0.00 0.00 179.25 179.66 1k2p h PHE 583 N 0.61 1.01 -0.67 0.00 3.57 0.02 -0.66 116.94 120.83 1k2p h PHE 583 Ca 0.19 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1k2p h PHE 583 Cb 0.01 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1k2p h PHE 583 CO -0.00 1.04 0.38 0.78 -2.23 0.00 0.00 178.31 178.28 1k2p h GLY 584 N 0.69 0.98 1.17 2.40 0.00 -0.25 -0.18 103.07 107.89 1k2p h GLY 584 Ca 0.09 -0.42 -0.19 0.00 0.00 0.00 0.00 47.33 46.81 1k2p h GLY 584 CO 0.07 0.40 -0.57 -2.08 0.00 0.00 0.00 176.54 174.35 1k2p h VAL 585 N 0.93 1.27 -0.96 4.60 2.07 -1.09 -2.66 116.25 120.41 1k2p h VAL 585 Ca 0.24 -1.76 0.10 0.00 0.82 0.00 0.00 66.70 66.10 1k2p h VAL 585 Cb 0.00 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 1k2p h VAL 585 CO -0.04 0.57 0.62 0.25 0.02 0.00 0.00 177.57 178.99 1k2p h LEU 586 N 0.65 0.90 -0.67 2.57 5.85 -0.09 0.13 115.31 124.66 1k2p h LEU 586 Ca 0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1k2p h LEU 586 Cb 1.18 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1k2p h LEU 586 CO 0.13 0.52 0.39 0.24 -0.34 0.00 0.00 178.44 179.37 1k2p h MET 587 N 0.99 0.92 -0.08 1.25 2.86 -0.86 0.14 114.93 120.15 1k2p h MET 587 Ca 0.45 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.97 1k2p h MET 587 Cb 0.40 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1k2p h MET 587 CO -0.21 0.67 -0.09 2.35 1.06 0.00 0.00 176.91 180.68 1k2p h TRP 588 N 0.91 0.12 -0.20 -0.22 7.01 -0.50 0.10 115.95 123.17 1k2p h TRP 588 Ca 0.24 -0.01 -0.16 0.00 2.11 0.00 0.00 58.89 61.07 1k2p h TRP 588 Cb -0.00 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1k2p h TRP 588 CO -0.01 0.22 -0.49 0.93 -2.79 0.00 0.00 178.44 176.30 1k2p h GLU 589 N 0.12 0.69 0.16 2.65 5.08 0.60 -1.15 114.58 122.72 1k2p h GLU 589 Ca 0.03 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1k2p h GLU 589 Cb 0.25 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1k2p h GLU 589 CO 0.01 1.09 -0.07 0.82 -1.00 0.00 0.00 179.01 179.86 1k2p h ILE 590 N 0.40 0.92 -0.18 3.13 2.04 0.19 0.30 117.51 124.30 1k2p h ILE 590 Ca -0.00 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 1k2p h ILE 590 Cb 1.10 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1k2p h ILE 590 CO 0.11 0.08 -0.29 1.88 0.00 0.00 0.00 178.15 179.92 1k2p h TYR 591 N -0.37 0.40 -0.09 1.37 -1.99 -0.86 -1.75 116.97 113.67 1k2p h TYR 591 Ca -0.02 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.62 1k2p h TYR 591 Cb 0.29 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1k2p h TYR 591 CO -0.02 0.61 0.00 -1.13 -0.00 0.00 0.00 178.16 177.63 1k2p n SER 592 N -4.11 0.56 -3.35 3.88 3.41 -0.44 -4.41 113.62 109.16 1k2p n SER 592 Ca -0.01 -1.80 -0.16 0.00 -0.26 0.00 0.00 58.87 56.64 1k2p n SER 592 Cb 0.41 -0.06 0.08 0.00 -0.26 0.00 0.00 64.21 64.39 1k2p n SER 592 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k2p n LEU 593 N -0.29 -4.73 0.00 1.04 4.77 -0.66 -3.89 117.00 113.24 1k2p n LEU 593 Ca 0.08 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1k2p n LEU 593 Cb 0.12 -3.16 0.00 0.00 -2.33 0.00 0.00 43.42 38.04 1k2p n LEU 593 CO 0.06 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1k2p n GLY 594 N -1.17 0.41 3.86 -0.72 0.00 0.10 -4.49 105.19 103.18 1k2p n GLY 594 Ca -0.20 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1k2p n GLY 594 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2p s LYS 595 N -2.49 3.91 0.25 1.61 -0.14 -1.25 -4.92 119.74 116.70 1k2p s LYS 595 Ca 0.00 0.64 -0.30 0.00 -1.36 0.00 0.00 55.97 54.96 1k2p s LYS 595 Cb 0.00 -2.36 -0.09 0.00 -1.68 0.00 0.00 37.83 33.70 1k2p s LYS 595 CO 0.00 -0.00 0.96 1.41 -0.76 0.00 0.00 175.35 176.96 1k2p s MET 596 N -3.54 4.81 0.05 1.68 -2.45 -1.26 -4.73 119.30 113.86 1k2p s MET 596 Ca 0.54 1.51 -0.31 0.00 -1.25 0.00 0.00 55.69 56.19 1k2p s MET 596 Cb -0.10 -3.22 -0.06 0.00 1.25 0.00 0.00 34.83 32.70 1k2p s MET 596 CO 0.25 0.46 1.24 -2.14 1.05 0.00 0.00 175.02 175.88 1k2p s PRO 597 N -1.30 4.40 -1.38 4.11 0.02 -1.26 -3.71 135.00 135.88 1k2p s PRO 597 Ca 0.42 1.81 -0.06 0.00 0.02 0.00 0.00 61.00 63.19 1k2p s PRO 597 Cb -0.26 -3.38 0.03 0.00 0.02 0.00 0.00 34.50 30.91 1k2p s PRO 597 CO 0.32 -0.33 0.92 0.66 -0.33 0.00 0.00 177.00 178.25 1k2p n TYR 598 N 4.20 -2.26 0.16 6.54 4.02 -1.26 -4.89 117.16 123.66 1k2p n TYR 598 Ca 0.10 0.91 0.16 0.00 -0.01 0.00 0.00 57.90 59.06 1k2p n TYR 598 Cb 0.46 -4.47 0.75 0.00 -0.02 0.00 0.00 39.34 36.06 1k2p n TYR 598 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1k2p h GLU 599 N -2.10 0.00 -0.01 -0.72 9.09 -2.00 -0.05 114.58 118.79 1k2p h GLU 599 Ca -0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.82 1k2p h GLU 599 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1k2p h GLU 599 CO 0.59 0.00 -0.08 0.54 0.05 0.00 0.00 179.01 180.11 1k2p n ARG 600 N -4.11 1.50 -2.74 1.06 5.12 -1.26 -4.88 116.66 111.35 1k2p n ARG 600 Ca 0.03 -0.93 -0.23 0.00 -1.93 0.00 0.00 57.85 54.79 1k2p n ARG 600 Cb 0.35 -1.48 0.11 0.00 -1.16 0.00 0.00 32.46 30.28 1k2p n ARG 600 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1k2p s PHE 601 N -2.14 1.20 0.26 -1.55 0.08 -0.03 -5.12 117.98 110.68 1k2p s PHE 601 Ca 0.33 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 56.95 1k2p s PHE 601 Cb 0.20 -2.75 -0.05 0.00 -0.57 0.00 0.00 43.02 39.85 1k2p s PHE 601 CO 0.38 -1.71 -0.10 0.95 -0.10 0.00 0.00 175.22 174.65 1k2p s THR 602 N -3.06 1.76 0.55 0.64 -4.23 -1.26 -4.95 115.64 105.10 1k2p s THR 602 Ca 0.67 -2.18 0.30 0.00 -1.18 0.00 0.00 61.69 59.30 1k2p s THR 602 Cb -0.04 -2.32 0.45 0.00 1.34 0.00 0.00 72.50 71.92 1k2p s THR 602 CO 0.44 -0.39 1.89 0.78 -0.54 0.00 0.00 174.62 176.80 1k2p h ASN 603 N 2.35 0.00 0.37 3.99 4.21 -1.99 0.13 115.58 124.64 1k2p h ASN 603 Ca -0.39 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 56.79 1k2p h ASN 603 Cb 1.23 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.45 1k2p h ASN 603 CO 0.65 0.00 -1.51 0.77 -1.29 0.00 0.00 177.43 176.05 1k2p h SER 604 N 0.00 0.60 0.42 5.81 4.64 -2.00 -3.08 113.55 119.95 1k2p h SER 604 Ca 0.35 -0.73 -0.16 0.00 -0.47 0.00 0.00 61.79 60.78 1k2p h SER 604 Cb 1.51 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1k2p h SER 604 CO -0.00 1.59 -0.67 -0.33 -0.87 0.00 0.00 176.83 176.55 1k2p h GLU 605 N 0.11 0.22 -0.67 4.77 5.08 -1.59 -2.37 114.58 120.13 1k2p h GLU 605 Ca -0.25 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1k2p h GLU 605 Cb 2.08 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.33 1k2p h GLU 605 CO 0.21 0.81 0.37 1.15 -1.00 0.00 0.00 179.01 180.56 1k2p h THR 606 N 0.16 1.21 -0.49 1.13 2.02 -0.88 0.37 112.91 116.42 1k2p h THR 606 Ca -0.02 -0.51 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 1k2p h THR 606 Cb 1.20 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1k2p h THR 606 CO 0.10 0.22 -0.05 0.00 0.37 0.00 0.00 175.52 176.16 1k2p h ALA 607 N 1.19 0.98 -0.37 6.16 0.00 -1.43 -0.96 119.26 124.82 1k2p h ALA 607 Ca 0.24 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1k2p h ALA 607 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1k2p h ALA 607 CO -0.04 0.61 -0.31 0.93 0.00 0.00 0.00 179.25 180.45 1k2p h GLU 608 N 0.79 0.85 -0.52 0.00 5.08 -0.84 -1.39 114.58 118.56 1k2p h GLU 608 Ca 0.14 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1k2p h GLU 608 Cb 0.55 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1k2p h GLU 608 CO 0.03 1.07 0.33 1.25 -1.00 0.00 0.00 179.01 180.70 1k2p h HIS 609 N 0.65 0.63 -0.07 4.33 2.76 -0.05 -0.76 115.15 122.65 1k2p h HIS 609 Ca 0.07 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.14 1k2p h HIS 609 Cb 0.89 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1k2p h HIS 609 CO 0.06 0.38 -0.46 0.82 -1.30 0.00 0.00 177.93 177.43 1k2p h ILE 610 N 0.67 1.33 0.00 6.26 2.04 -1.13 -2.25 117.51 124.44 1k2p h ILE 610 Ca 0.20 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 1k2p h ILE 610 Cb -0.04 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1k2p h ILE 610 CO -0.06 0.48 -0.06 0.00 0.00 0.00 0.00 178.15 178.51 1k2p h ALA 611 N 1.38 1.10 -0.01 1.87 0.00 -0.01 0.04 119.26 123.62 1k2p h ALA 611 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k2p h ALA 611 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1k2p h ALA 611 CO 0.07 0.07 -0.18 1.04 0.00 0.00 0.00 179.25 180.25 1k2p n GLN 612 N -3.29 0.86 -0.61 0.00 1.13 -0.57 -4.92 117.38 109.97 1k2p n GLN 612 Ca -0.01 -0.44 0.00 0.00 -1.94 0.00 0.00 57.00 54.61 1k2p n GLN 612 Cb 0.23 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1k2p n GLN 612 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k2p n GLY 613 N 1.30 0.69 3.85 1.08 0.00 -0.00 -5.05 105.19 107.05 1k2p n GLY 613 Ca 0.14 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1k2p n GLY 613 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2p s LEU 614 N 0.00 4.34 0.00 0.99 2.01 -0.91 -5.02 118.68 120.10 1k2p s LEU 614 Ca 0.00 0.97 0.00 0.00 0.01 0.00 0.00 54.13 55.11 1k2p s LEU 614 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 46.19 43.04 1k2p s LEU 614 CO 0.00 0.13 0.00 0.54 1.01 0.00 0.00 176.35 178.03 1k2p n ARG 615 N 0.84 2.22 -2.88 1.70 5.12 -1.26 -4.00 116.66 118.40 1k2p n ARG 615 Ca -0.06 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.44 1k2p n ARG 615 Cb 0.52 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.78 1k2p n ARG 615 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1k2p s LEU 616 N 0.00 4.19 0.87 0.55 1.43 -1.26 -5.03 118.68 119.43 1k2p s LEU 616 Ca 0.00 1.20 -0.14 0.00 -1.03 0.00 0.00 54.13 54.16 1k2p s LEU 616 Cb 0.00 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.98 1k2p s LEU 616 CO 0.00 -0.38 0.44 0.00 0.23 0.00 0.00 176.35 176.63 1k2p n TYR 617 N 5.11 -1.26 -2.22 0.29 0.18 -1.26 -4.89 117.16 113.11 1k2p n TYR 617 Ca 0.04 0.27 -0.42 0.00 1.88 0.00 0.00 57.90 59.67 1k2p n TYR 617 Cb 0.49 -1.83 -0.03 0.00 -0.38 0.00 0.00 39.34 37.60 1k2p n TYR 617 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1k2p s ARG 618 N -3.31 4.24 0.20 -3.48 3.52 -1.26 -4.98 118.95 113.88 1k2p s ARG 618 Ca 0.60 1.94 -0.30 0.00 -0.13 0.00 0.00 55.73 57.84 1k2p s ARG 618 Cb -0.26 -3.76 -0.08 0.00 -1.56 0.00 0.00 34.95 29.29 1k2p s ARG 618 CO 0.64 -0.70 0.98 -1.25 -0.81 0.00 0.00 175.30 174.17 1k2p s PRO 619 N 3.24 4.76 0.63 5.12 0.04 -1.26 -4.93 135.00 142.59 1k2p s PRO 619 Ca 0.64 1.55 0.17 0.00 0.04 0.00 0.00 61.00 63.40 1k2p s PRO 619 Cb -0.29 -3.29 0.66 0.00 0.04 0.00 0.00 34.50 31.62 1k2p s PRO 619 CO 0.24 0.35 1.27 1.12 0.04 0.00 0.00 177.00 180.01 1k2p h HIS 620 N 4.61 0.00 -0.64 0.56 2.07 -1.94 0.16 115.15 119.97 1k2p h HIS 620 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1k2p h HIS 620 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1k2p h HIS 620 CO 0.62 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.76 1k2p n LEU 621 N -2.99 4.03 -4.46 6.12 4.77 -1.26 -4.91 117.00 118.31 1k2p n LEU 621 Ca 0.12 -2.03 -0.33 0.00 -0.03 0.00 0.00 56.01 53.75 1k2p n LEU 621 Cb 1.21 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 41.66 1k2p n LEU 621 CO 0.15 0.83 -0.45 0.00 -1.33 0.00 0.00 177.39 176.58 1k2p s ALA 622 N -1.47 2.66 0.78 -1.18 0.00 0.54 -4.84 121.76 118.25 1k2p s ALA 622 Ca 0.46 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 1k2p s ALA 622 Cb 0.27 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 22.45 1k2p s ALA 622 CO 0.27 0.50 1.14 -1.54 0.00 0.00 0.00 175.76 176.13 1k2p s SER 623 N -0.54 4.64 0.50 0.00 1.04 -1.26 -4.83 113.70 113.25 1k2p s SER 623 Ca 0.07 0.74 0.20 0.00 0.48 0.00 0.00 55.95 57.44 1k2p s SER 623 Cb -0.12 -1.29 1.28 0.00 0.10 0.00 0.00 66.02 66.00 1k2p s SER 623 CO 0.01 -1.80 2.09 -0.08 0.98 0.00 0.00 173.24 174.44 1k2p h GLU 624 N -0.93 0.00 -0.03 4.02 4.81 -1.99 0.43 114.58 120.90 1k2p h GLU 624 Ca -0.46 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.71 1k2p h GLU 624 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1k2p h GLU 624 CO 0.65 0.10 -0.23 0.87 -0.73 0.00 0.00 179.01 179.66 1k2p h LYS 625 N 0.00 0.21 -0.35 1.92 6.56 -1.99 -2.18 116.57 120.73 1k2p h LYS 625 Ca -0.00 -0.18 -0.07 0.00 -1.06 0.00 0.00 60.65 59.33 1k2p h LYS 625 Cb 0.20 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.89 1k2p h LYS 625 CO 0.01 0.87 -0.09 0.28 -2.06 0.00 0.00 179.45 178.46 1k2p h VAL 626 N -0.39 1.23 0.00 0.50 2.07 -1.82 -2.13 116.25 115.71 1k2p h VAL 626 Ca -0.02 -1.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.37 1k2p h VAL 626 Cb 0.93 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1k2p h VAL 626 CO 0.05 0.34 -0.51 0.22 0.02 0.00 0.00 177.57 177.68 1k2p h TYR 627 N 0.55 0.00 -0.56 1.57 3.20 -0.96 -2.91 116.97 117.86 1k2p h TYR 627 Ca 0.10 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 1k2p h TYR 627 Cb 0.48 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1k2p h TYR 627 CO 0.02 0.51 0.06 1.15 -1.64 0.00 0.00 178.16 178.26 1k2p h THR 628 N 0.00 1.25 -0.19 1.81 2.02 -0.71 -0.39 112.91 116.70 1k2p h THR 628 Ca -0.01 -0.99 -0.13 0.00 0.77 0.00 0.00 66.41 66.05 1k2p h THR 628 Cb 0.94 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1k2p h THR 628 CO 0.07 0.36 -0.40 0.16 0.37 0.00 0.00 175.52 176.08 1k2p h ILE 629 N 0.86 1.33 -0.20 3.11 3.07 -1.33 -2.68 117.51 121.67 1k2p h ILE 629 Ca 0.17 -1.63 -0.18 0.00 1.55 0.00 0.00 64.86 64.76 1k2p h ILE 629 Cb 0.43 1.89 -0.00 0.00 -0.27 0.00 0.00 36.82 38.87 1k2p h ILE 629 CO 0.01 0.50 -0.62 0.00 -1.05 0.00 0.00 178.15 177.00 1k2p h MET 630 N 0.28 0.68 -0.23 0.16 -0.00 -1.49 -3.05 114.93 111.27 1k2p h MET 630 Ca 0.00 -0.47 -0.01 0.00 -0.00 0.00 0.00 59.70 59.22 1k2p h MET 630 Cb 1.00 0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.66 1k2p h MET 630 CO 0.09 1.09 0.08 -0.92 -0.00 0.00 0.00 176.91 177.25 1k2p h TYR 631 N 0.51 0.31 -0.02 -0.10 5.03 -1.09 -1.73 116.97 119.87 1k2p h TYR 631 Ca -0.01 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 1k2p h TYR 631 Cb 1.20 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 39.37 1k2p h TYR 631 CO 0.06 0.26 -0.07 0.66 -1.32 0.00 0.00 178.16 177.75 1k2p h SER 632 N 0.32 0.03 0.22 -2.11 4.64 -1.36 -2.60 113.55 112.70 1k2p h SER 632 Ca 0.08 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1k2p h SER 632 Cb 0.08 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1k2p h SER 632 CO -0.01 0.11 -0.02 0.00 -0.87 0.00 0.00 176.83 176.04 1k2p n TRP 634 N -3.29 2.70 0.33 0.00 8.01 -0.98 -3.62 117.44 120.59 1k2p n TRP 634 Ca -0.02 -2.28 0.21 0.00 -1.31 0.00 0.00 57.50 54.10 1k2p n TRP 634 Cb 0.13 -0.97 1.16 0.00 -2.01 0.00 0.00 31.31 29.63 1k2p n TRP 634 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 1k2p h HIS 635 N 1.50 0.00 0.00 -5.99 2.76 -1.72 -3.47 115.15 108.24 1k2p h HIS 635 Ca 0.51 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 1k2p h HIS 635 Cb 1.73 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.69 1k2p h HIS 635 CO 1.34 0.00 0.00 -1.91 -1.30 0.00 0.00 177.93 176.06 1k2p n GLU 636 N -3.24 0.00 -2.13 5.26 2.13 -1.26 -4.88 120.64 116.51 1k2p n GLU 636 Ca -0.03 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.38 1k2p n GLU 636 Cb 0.07 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.76 1k2p n GLU 636 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1k2p s LYS 637 N 0.00 3.09 0.28 5.31 -0.14 -1.26 -4.87 119.74 122.14 1k2p s LYS 637 Ca 0.00 0.87 -0.04 0.00 -1.36 0.00 0.00 55.97 55.45 1k2p s LYS 637 Cb 0.00 -4.24 0.57 0.00 -1.68 0.00 0.00 37.83 32.49 1k2p s LYS 637 CO 0.00 -2.17 1.59 0.00 -0.76 0.00 0.00 175.35 174.01 1k2p h ALA 638 N 13.06 0.92 0.00 5.17 0.00 -1.97 -0.83 119.26 135.61 1k2p h ALA 638 Ca -0.29 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k2p h ALA 638 Cb 1.14 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1k2p h ALA 638 CO 1.14 -0.48 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1k2p n ASP 639 N -5.47 0.00 -0.79 0.00 5.68 -1.26 -1.67 116.55 113.03 1k2p n ASP 639 Ca 0.18 -0.28 0.09 0.00 -0.50 0.00 0.00 54.79 54.28 1k2p n ASP 639 Cb 0.60 -0.11 0.11 0.00 -1.14 0.00 0.00 41.12 40.59 1k2p n ASP 639 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1k2p n GLU 640 N -1.11 1.79 -3.52 0.11 4.07 -0.32 -4.90 120.64 116.77 1k2p n GLU 640 Ca 0.10 -1.75 -0.37 0.00 -0.06 0.00 0.00 57.16 55.08 1k2p n GLU 640 Cb 0.08 -1.37 -0.07 0.00 -0.06 0.00 0.00 31.44 30.02 1k2p n GLU 640 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1k2p s ARG 641 N -1.40 4.22 0.99 5.31 0.52 -0.67 -4.86 118.95 123.06 1k2p s ARG 641 Ca 0.25 0.07 -0.13 0.00 -0.52 0.00 0.00 55.73 55.40 1k2p s ARG 641 Cb 0.16 -3.47 0.11 0.00 0.52 0.00 0.00 34.95 32.27 1k2p s ARG 641 CO 0.23 0.15 0.64 -2.30 0.02 0.00 0.00 175.30 174.03 1k2p n PRO 642 N 3.89 -0.80 -2.39 3.54 -0.02 -1.26 -5.01 135.00 132.96 1k2p n PRO 642 Ca -0.11 -0.19 -0.25 0.00 -2.02 0.00 0.00 63.50 60.93 1k2p n PRO 642 Cb 0.52 -2.02 0.05 0.00 -0.02 0.00 0.00 33.50 32.02 1k2p n PRO 642 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1k2p s THR 643 N -2.45 2.93 0.29 3.45 -4.23 -1.26 -4.93 115.64 109.45 1k2p s THR 643 Ca 0.61 -0.25 0.15 0.00 -1.18 0.00 0.00 61.69 61.02 1k2p s THR 643 Cb -0.21 -3.19 0.09 0.00 1.34 0.00 0.00 72.50 70.53 1k2p s THR 643 CO 0.64 -0.19 1.76 -0.26 -0.54 0.00 0.00 174.62 176.04 1k2p h PHE 644 N -0.28 0.00 -0.41 3.99 0.04 -1.94 -1.14 116.94 117.19 1k2p h PHE 644 Ca -0.44 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.19 1k2p h PHE 644 Cb 1.29 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 1k2p h PHE 644 CO 0.40 0.42 -0.29 0.87 -0.60 0.00 0.00 178.31 179.11 1k2p h LYS 645 N 0.00 0.89 -0.19 1.51 6.56 -1.91 0.12 116.57 123.55 1k2p h LYS 645 Ca -0.00 -0.41 -0.12 0.00 -1.06 0.00 0.00 60.65 59.06 1k2p h LYS 645 Cb 0.82 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 1k2p h LYS 645 CO 0.05 1.05 -0.36 0.82 -2.06 0.00 0.00 179.45 178.96 1k2p h ILE 646 N 0.75 1.33 -0.68 1.86 2.04 -1.89 -0.84 117.51 120.09 1k2p h ILE 646 Ca 0.09 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.37 1k2p h ILE 646 Cb 0.85 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 1k2p h ILE 646 CO 0.07 0.49 0.43 -0.07 0.00 0.00 0.00 178.15 179.08 1k2p h LEU 647 N 0.25 0.73 -0.80 1.44 3.38 -1.07 0.22 115.31 119.45 1k2p h LEU 647 Ca 0.01 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1k2p h LEU 647 Cb 0.96 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1k2p h LEU 647 CO 0.08 0.51 0.03 0.25 0.09 0.00 0.00 178.44 179.40 1k2p h LEU 648 N 0.86 0.89 -0.86 1.67 5.85 -0.70 0.40 115.31 123.43 1k2p h LEU 648 Ca 0.26 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 1k2p h LEU 648 Cb -0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1k2p h LEU 648 CO -0.09 0.94 -0.38 0.77 -0.34 0.00 0.00 178.44 179.34 1k2p h SER 649 N 0.86 0.40 0.54 1.25 4.64 -0.21 -0.79 113.55 120.24 1k2p h SER 649 Ca 0.16 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1k2p h SER 649 Cb 0.47 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1k2p h SER 649 CO 0.02 0.75 -0.26 0.78 -0.87 0.00 0.00 176.83 177.25 1k2p h ASN 650 N 0.32 -0.61 -0.75 4.97 2.35 -0.14 -2.10 115.58 119.63 1k2p h ASN 650 Ca 0.03 -0.05 0.17 0.00 -0.55 0.00 0.00 56.30 55.90 1k2p h ASN 650 Cb 0.82 0.16 -0.12 0.00 0.05 0.00 0.00 38.32 39.23 1k2p h ASN 650 CO 0.07 -0.27 0.14 0.40 -1.65 0.00 0.00 177.43 176.12 1k2p h ILE 651 N -0.98 0.46 -0.71 2.81 2.04 -0.82 -0.57 117.51 119.74 1k2p h ILE 651 Ca -0.07 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1k2p h ILE 651 Cb 0.63 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1k2p h ILE 651 CO 0.12 0.04 0.26 -0.07 0.00 0.00 0.00 178.15 178.50 1k2p h LEU 652 N 0.22 0.99 -8.49 1.44 3.38 -1.03 -3.40 115.31 108.43 1k2p h LEU 652 Ca 0.42 -0.16 -0.47 0.00 0.09 0.00 0.00 57.88 57.76 1k2p h LEU 652 Cb 0.74 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1k2p h LEU 652 CO -0.55 0.90 1.34 -0.62 0.09 0.00 0.00 178.44 179.60 1k2p s ASP 653 N -6.44 5.11 0.00 -0.43 -1.08 -0.22 -5.11 116.67 108.50 1k2p s ASP 653 Ca -0.11 0.38 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 1k2p s ASP 653 Cb 0.16 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1k2p s ASP 653 CO 0.83 -2.51 0.00 0.55 0.52 0.00 0.00 175.17 174.56