#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckr s GLU 384 N 0.00 3.70 0.00 1.43 2.02 -1.26 -4.78 118.70 119.81 1ckr s GLU 384 Ca 0.00 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.48 1ckr s GLU 384 Cb 0.00 -5.29 0.00 0.00 0.10 0.00 0.00 34.13 28.94 1ckr s GLU 384 CO 0.00 -2.10 0.00 0.09 0.02 0.00 0.00 175.26 173.27 1ckr n ASN 385 N 8.11 0.00 -3.13 -0.19 3.02 -1.26 -3.56 115.26 118.25 1ckr n ASN 385 Ca 0.35 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.70 1ckr n ASN 385 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 1ckr n ASN 385 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1ckr n VAL 386 N 0.00 0.46 -3.51 2.41 0.24 -1.26 -5.04 118.33 111.63 1ckr n VAL 386 Ca 0.00 -4.76 -0.28 0.00 -2.04 0.00 0.00 64.34 57.26 1ckr n VAL 386 Cb 0.00 -0.46 -0.11 0.00 -1.47 0.00 0.00 33.84 31.79 1ckr n VAL 386 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ckr s GLN 387 N -2.64 1.01 -0.04 7.34 -0.21 -1.23 -5.02 119.66 118.87 1ckr s GLN 387 Ca 0.42 -1.99 -0.01 0.00 0.02 0.00 0.00 55.36 53.79 1ckr s GLN 387 Cb 0.34 -1.72 0.03 0.00 1.00 0.00 0.00 33.01 32.66 1ckr s GLN 387 CO -0.09 -1.29 0.07 -0.51 -2.12 0.00 0.00 175.29 171.35 1ckr s ASP 388 N 0.25 0.50 -1.13 5.90 1.01 -1.26 -0.47 116.67 121.48 1ckr s ASP 388 Ca 0.25 0.12 -0.19 0.00 0.71 0.00 0.00 52.55 53.45 1ckr s ASP 388 Cb -0.09 -0.02 0.09 0.00 1.01 0.00 0.00 42.92 43.91 1ckr s ASP 388 CO -0.10 -0.19 1.48 -0.22 0.21 0.00 0.00 175.17 176.35 1ckr s LEU 389 N 1.62 4.16 -1.25 1.23 2.96 -1.26 -4.95 118.68 121.19 1ckr s LEU 389 Ca -0.03 -2.15 -0.13 0.00 -0.22 0.00 0.00 54.13 51.60 1ckr s LEU 389 Cb -0.12 -2.51 0.15 0.00 0.50 0.00 0.00 46.19 44.21 1ckr s LEU 389 CO -0.04 -1.19 1.59 0.18 -1.32 0.00 0.00 176.35 175.58 1ckr n LEU 390 N 7.74 5.52 -3.69 -0.68 4.77 -1.26 -4.92 117.00 124.49 1ckr n LEU 390 Ca 0.37 -4.42 -0.24 0.00 -0.03 0.00 0.00 56.01 51.69 1ckr n LEU 390 Cb 0.48 -1.61 -0.17 0.00 -2.33 0.00 0.00 43.42 39.78 1ckr n LEU 390 CO 0.66 0.80 -0.35 -0.22 -1.33 0.00 0.00 177.39 176.94 1ckr s LEU 391 N 1.58 0.57 -0.02 2.23 1.98 -1.26 -5.14 118.68 118.61 1ckr s LEU 391 Ca 0.44 -0.39 0.02 0.00 -2.89 0.00 0.00 54.13 51.31 1ckr s LEU 391 Cb 0.01 -0.36 0.00 0.00 0.66 0.00 0.00 46.19 46.51 1ckr s LEU 391 CO 0.01 -0.28 -0.07 -0.76 -1.89 0.00 0.00 176.35 173.36 1ckr s LEU 392 N 2.04 1.76 -1.24 -0.68 1.43 -1.26 -5.08 118.68 115.64 1ckr s LEU 392 Ca 0.03 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 1ckr s LEU 392 Cb -0.15 -0.47 0.16 0.00 0.03 0.00 0.00 46.19 45.76 1ckr s LEU 392 CO -0.07 0.05 1.55 0.47 0.23 0.00 0.00 176.35 178.58 1ckr n ASP 393 N 3.34 5.16 -4.81 2.29 8.00 -1.26 -5.01 116.55 124.25 1ckr n ASP 393 Ca -0.18 -2.99 -0.34 0.00 0.71 0.00 0.00 54.79 51.99 1ckr n ASP 393 Cb 0.54 -1.58 -0.07 0.00 -0.02 0.00 0.00 41.12 40.00 1ckr n ASP 393 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ckr s VAL 394 N 1.67 4.98 0.04 2.53 -7.23 -1.26 -2.05 120.40 119.08 1ckr s VAL 394 Ca 0.44 -0.21 -0.16 0.00 -1.81 0.00 0.00 61.98 60.23 1ckr s VAL 394 Cb 0.00 -3.24 -0.06 0.00 0.56 0.00 0.00 36.38 33.63 1ckr s VAL 394 CO 0.01 0.43 0.48 0.28 -0.31 0.00 0.00 175.10 175.99 1ckr s THR 395 N -1.15 4.92 0.50 5.32 -1.32 -0.72 -4.87 115.64 118.32 1ckr s THR 395 Ca 0.21 0.95 0.17 0.00 -1.21 0.00 0.00 61.69 61.81 1ckr s THR 395 Cb -0.12 -3.78 0.30 0.00 -1.51 0.00 0.00 72.50 67.40 1ckr s THR 395 CO 0.12 0.53 2.09 1.55 -2.21 0.00 0.00 174.62 176.69 1ckr h PRO 396 N 4.49 0.11 -5.97 7.08 0.13 -1.95 -2.75 132.00 133.14 1ckr h PRO 396 Ca -0.51 -0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.04 1ckr h PRO 396 Cb 1.21 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 1ckr h PRO 396 CO 0.63 0.07 -0.59 -0.51 -0.23 0.00 0.00 178.00 177.37 1ckr s LEU 397 N -9.09 3.02 -0.61 1.56 1.43 -1.26 -3.04 118.68 110.68 1ckr s LEU 397 Ca -0.06 -1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 51.81 1ckr s LEU 397 Cb 0.18 -1.36 0.08 0.00 0.03 0.00 0.00 46.19 45.12 1ckr s LEU 397 CO 0.70 -0.31 0.83 -0.94 0.23 0.00 0.00 176.35 176.86 1ckr s SER 398 N -3.76 6.19 -0.18 2.29 1.04 -1.15 -4.63 113.70 113.51 1ckr s SER 398 Ca 0.36 -1.11 -0.22 0.00 0.48 0.00 0.00 55.95 55.46 1ckr s SER 398 Cb 0.01 -2.36 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 1ckr s SER 398 CO 0.20 -1.25 0.70 -0.76 0.98 0.00 0.00 173.24 173.10 1ckr s LEU 399 N 3.41 4.16 0.00 2.42 1.43 -1.26 -3.23 118.68 125.60 1ckr s LEU 399 Ca 0.18 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1ckr s LEU 399 Cb -0.20 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1ckr s LEU 399 CO 0.09 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.98 1ckr n GLY 400 N 3.65 5.47 3.02 -3.19 0.00 -0.68 -4.33 105.19 109.13 1ckr n GLY 400 Ca 0.00 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.74 1ckr n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ckr s ILE 401 N 2.22 0.15 -0.68 -0.61 -4.36 -1.11 -2.01 121.20 114.80 1ckr s ILE 401 Ca 0.00 -1.21 -0.20 0.00 -0.26 0.00 0.00 60.65 58.98 1ckr s ILE 401 Cb 0.00 -0.68 0.10 0.00 1.25 0.00 0.00 42.46 43.13 1ckr s ILE 401 CO 0.00 -0.66 0.87 -0.70 0.24 0.00 0.00 174.94 174.68 1ckr s GLU 402 N -2.28 3.17 -0.03 0.37 -6.30 0.16 -2.59 118.70 111.19 1ckr s GLU 402 Ca -0.08 -1.26 0.07 0.00 -2.50 0.00 0.00 54.97 51.20 1ckr s GLU 402 Cb -0.04 -4.36 -0.02 0.00 0.00 0.00 0.00 34.13 29.71 1ckr s GLU 402 CO -0.04 -1.67 -0.23 0.95 0.02 0.00 0.00 175.26 174.29 1ckr s THR 403 N 3.09 2.28 0.00 -1.70 -4.23 -0.55 -3.51 115.64 111.01 1ckr s THR 403 Ca 0.19 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1ckr s THR 403 Cb -0.18 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1ckr s THR 403 CO 0.05 0.58 0.00 0.00 -0.54 0.00 0.00 174.62 174.71 1ckr n ALA 404 N 2.50 0.00 -1.47 3.99 0.00 -1.26 -1.90 120.51 122.37 1ckr n ALA 404 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 1ckr n ALA 404 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.03 1ckr n ALA 404 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ckr n GLY 405 N 0.00 5.67 2.23 0.00 0.00 -1.26 -4.61 105.19 107.22 1ckr n GLY 405 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1ckr n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ckr n GLY 406 N -0.73 0.39 3.91 -0.02 0.00 -0.80 -4.95 105.19 103.00 1ckr n GLY 406 Ca 0.59 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.34 1ckr n GLY 406 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ckr s VAL 407 N -1.79 4.93 -0.09 1.61 -7.23 -1.09 -4.04 120.40 112.70 1ckr s VAL 407 Ca 0.00 0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 60.01 1ckr s VAL 407 Cb 0.00 -3.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.07 1ckr s VAL 407 CO 0.00 -0.76 1.13 -0.32 -0.31 0.00 0.00 175.10 174.84 1ckr s MET 408 N -4.55 4.37 -0.24 4.82 1.75 -1.19 -1.48 119.30 122.77 1ckr s MET 408 Ca 0.47 1.56 0.01 0.00 -1.25 0.00 0.00 55.69 56.47 1ckr s MET 408 Cb -0.10 -3.57 0.04 0.00 2.84 0.00 0.00 34.83 34.04 1ckr s MET 408 CO 0.42 -0.42 -0.10 0.99 -0.65 0.00 0.00 175.02 175.25 1ckr s THR 409 N 2.25 2.44 -0.30 10.11 2.01 -1.07 -3.92 115.64 127.16 1ckr s THR 409 Ca 0.53 -1.27 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 1ckr s THR 409 Cb -0.22 -2.28 0.05 0.00 0.01 0.00 0.00 72.50 70.05 1ckr s THR 409 CO 0.19 0.16 0.00 -0.69 -0.69 0.00 0.00 174.62 173.60 1ckr s VAL 410 N 1.23 3.07 -0.14 3.82 1.01 -1.26 -2.74 120.40 125.39 1ckr s VAL 410 Ca -0.03 -1.30 0.17 0.00 0.00 0.00 0.00 61.98 60.82 1ckr s VAL 410 Cb -0.17 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 1ckr s VAL 410 CO -0.06 -0.07 0.94 0.17 0.00 0.00 0.00 175.10 176.07 1ckr h LEU 411 N 8.02 0.00 0.00 3.92 8.10 -1.98 -3.44 115.31 129.93 1ckr h LEU 411 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.76 1ckr h LEU 411 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.29 1ckr h LEU 411 CO 0.54 0.51 0.00 -0.38 -4.11 0.00 0.00 178.44 175.01 1ckr n ILE 412 N -2.92 0.00 -3.73 0.15 2.08 -1.26 -5.04 119.36 108.64 1ckr n ILE 412 Ca -0.07 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.17 1ckr n ILE 412 Cb 0.80 -1.91 -0.02 0.00 -0.75 0.00 0.00 39.64 37.76 1ckr n ILE 412 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1ckr s LYS 413 N 0.08 1.48 0.16 0.38 0.00 -1.26 -4.93 119.74 115.65 1ckr s LYS 413 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 55.97 54.90 1ckr s LYS 413 Cb 0.00 0.54 -0.08 0.00 0.00 0.00 0.00 37.83 38.29 1ckr s LYS 413 CO 0.00 -0.67 1.28 0.50 0.00 0.00 0.00 175.35 176.45 1ckr s ARG 414 N -3.67 4.41 -1.13 1.78 6.06 -1.26 -2.91 118.95 122.22 1ckr s ARG 414 Ca 0.09 1.97 -0.17 0.00 -2.50 0.00 0.00 55.73 55.12 1ckr s ARG 414 Cb -0.04 -3.23 -0.02 0.00 0.06 0.00 0.00 34.95 31.72 1ckr s ARG 414 CO 0.01 -0.24 0.81 0.09 -2.50 0.00 0.00 175.30 173.47 1ckr n ASN 415 N 2.96 -5.32 -4.68 -2.12 3.02 -1.17 -4.95 115.26 103.00 1ckr n ASN 415 Ca 0.07 -0.96 -0.41 0.00 -0.03 0.00 0.00 54.58 53.25 1ckr n ASN 415 Cb 0.44 -3.72 -0.04 0.00 -0.61 0.00 0.00 39.78 35.84 1ckr n ASN 415 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ckr s THR 416 N -3.47 4.89 -0.88 3.41 -1.32 -1.04 -4.83 115.64 112.41 1ckr s THR 416 Ca 0.45 1.67 -0.25 0.00 -1.21 0.00 0.00 61.69 62.35 1ckr s THR 416 Cb -0.14 -4.15 -0.05 0.00 -1.51 0.00 0.00 72.50 66.65 1ckr s THR 416 CO 0.84 0.06 1.94 -0.89 -2.21 0.00 0.00 174.62 174.36 1ckr s THR 417 N 1.90 3.44 0.27 5.08 2.01 -1.26 -1.75 115.64 125.33 1ckr s THR 417 Ca 0.40 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 61.93 1ckr s THR 417 Cb -0.17 -4.00 -0.08 0.00 0.01 0.00 0.00 72.50 68.26 1ckr s THR 417 CO 0.14 -0.94 0.66 0.27 -0.69 0.00 0.00 174.62 174.06 1ckr s ILE 418 N 10.03 4.77 0.47 1.82 -4.36 -0.87 -4.37 121.20 128.68 1ckr s ILE 418 Ca 0.70 0.81 -0.23 0.00 -0.26 0.00 0.00 60.65 61.67 1ckr s ILE 418 Cb -0.07 -3.64 -0.07 0.00 1.25 0.00 0.00 42.46 39.93 1ckr s ILE 418 CO 0.01 -0.09 1.23 -2.16 0.24 0.00 0.00 174.94 174.17 1ckr s PRO 419 N -2.78 3.67 -0.16 0.37 0.04 -1.26 -4.67 135.00 130.22 1ckr s PRO 419 Ca 0.50 1.95 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 1ckr s PRO 419 Cb -0.11 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 32.04 1ckr s PRO 419 CO 0.19 -0.68 0.36 -0.08 0.04 0.00 0.00 177.00 176.84 1ckr s THR 420 N -1.43 -0.12 -0.48 1.26 -1.32 -1.09 -4.94 115.64 107.51 1ckr s THR 420 Ca 0.64 0.13 -0.12 0.00 -1.21 0.00 0.00 61.69 61.12 1ckr s THR 420 Cb -0.33 -0.55 0.10 0.00 -1.51 0.00 0.00 72.50 70.21 1ckr s THR 420 CO 0.40 0.05 0.38 -0.75 -2.21 0.00 0.00 174.62 172.49 1ckr s LYS 421 N 1.57 2.75 -0.20 7.08 2.20 -1.25 -1.00 119.74 130.89 1ckr s LYS 421 Ca -0.08 -1.60 -0.03 0.00 -0.36 0.00 0.00 55.97 53.90 1ckr s LYS 421 Cb -0.09 -4.04 -0.01 0.00 -1.51 0.00 0.00 37.83 32.18 1ckr s LYS 421 CO -0.12 -1.14 -0.05 -0.65 -0.36 0.00 0.00 175.35 173.03 1ckr s GLN 422 N 1.50 3.40 -0.48 4.03 -0.21 -0.37 -4.95 119.66 122.59 1ckr s GLN 422 Ca 0.04 -0.62 -0.13 0.00 0.02 0.00 0.00 55.36 54.66 1ckr s GLN 422 Cb -0.26 -2.95 0.09 0.00 1.00 0.00 0.00 33.01 30.89 1ckr s GLN 422 CO 0.02 -0.12 0.38 0.95 -2.12 0.00 0.00 175.29 174.41 1ckr s THR 423 N 1.26 4.85 -0.32 -0.19 -4.23 -1.26 -0.77 115.64 114.98 1ckr s THR 423 Ca 0.03 -1.35 -0.09 0.00 -1.18 0.00 0.00 61.69 59.10 1ckr s THR 423 Cb -0.14 -4.01 0.01 0.00 1.34 0.00 0.00 72.50 69.70 1ckr s THR 423 CO -0.02 -0.66 0.14 -1.58 -0.54 0.00 0.00 174.62 171.96 1ckr s GLN 424 N 1.54 3.15 -0.17 3.99 2.00 -1.00 -4.97 119.66 124.19 1ckr s GLN 424 Ca 0.04 -0.84 -0.24 0.00 -2.00 0.00 0.00 55.36 52.31 1ckr s GLN 424 Cb -0.26 -3.55 -0.02 0.00 0.80 0.00 0.00 33.01 29.99 1ckr s GLN 424 CO 0.04 -0.49 0.78 0.99 -0.50 0.00 0.00 175.29 176.11 1ckr s THR 425 N 1.56 4.92 0.22 -0.34 2.01 -1.26 -1.32 115.64 121.43 1ckr s THR 425 Ca 0.03 1.52 0.07 0.00 0.31 0.00 0.00 61.69 63.63 1ckr s THR 425 Cb -0.18 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 1ckr s THR 425 CO 0.05 0.05 0.09 -0.36 -0.69 0.00 0.00 174.62 173.77 1ckr s PHE 426 N 2.05 2.96 0.00 4.92 0.40 0.75 -4.96 117.98 124.10 1ckr s PHE 426 Ca 0.36 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.56 1ckr s PHE 426 Cb -0.16 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.00 1ckr s PHE 426 CO 0.12 0.55 0.00 -2.37 0.70 0.00 0.00 175.22 174.22 1ckr n THR 427 N -0.73 0.00 -3.98 0.64 5.66 0.17 -0.35 114.28 115.68 1ckr n THR 427 Ca -0.08 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.80 1ckr n THR 427 Cb 0.57 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.22 1ckr n THR 427 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ckr s THR 428 N 2.61 0.19 0.02 1.09 -4.23 -0.96 -4.16 115.64 110.20 1ckr s THR 428 Ca 0.00 -0.50 -0.12 0.00 -1.18 0.00 0.00 61.69 59.89 1ckr s THR 428 Cb 0.00 -0.24 -0.33 0.00 1.34 0.00 0.00 72.50 73.27 1ckr s THR 428 CO 0.00 -0.20 0.96 0.22 -0.54 0.00 0.00 174.62 175.06 1ckr h TYR 429 N 5.39 0.83 -3.86 3.99 3.20 -1.92 -2.92 116.97 121.68 1ckr h TYR 429 Ca -0.29 -0.61 -0.47 0.00 3.14 0.00 0.00 58.73 60.50 1ckr h TYR 429 Cb 1.21 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1ckr h TYR 429 CO 0.53 1.53 0.29 -1.12 -1.64 0.00 0.00 178.16 177.74 1ckr s SER 430 N -7.43 7.17 -0.01 -2.11 0.01 -1.26 -4.65 113.70 105.41 1ckr s SER 430 Ca -0.09 1.70 -0.30 0.00 1.31 0.00 0.00 55.95 58.57 1ckr s SER 430 Cb 0.05 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 1ckr s SER 430 CO 0.92 -0.12 1.41 1.51 0.41 0.00 0.00 173.24 177.37 1ckr s ASP 431 N -1.78 6.84 -0.17 2.44 -4.77 -1.26 -4.45 116.67 113.52 1ckr s ASP 431 Ca 0.52 2.09 -0.00 0.00 -3.30 0.00 0.00 52.55 51.86 1ckr s ASP 431 Cb -0.16 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 1ckr s ASP 431 CO 0.21 -0.74 0.00 0.59 0.70 0.00 0.00 175.17 175.93 1ckr n ASN 432 N 5.57 -5.30 -2.45 2.11 3.02 -0.51 -4.90 115.26 112.80 1ckr n ASN 432 Ca 0.13 0.81 -0.05 0.00 -0.03 0.00 0.00 54.58 55.45 1ckr n ASN 432 Cb 0.44 -3.45 -0.04 0.00 -0.61 0.00 0.00 39.78 36.12 1ckr n ASN 432 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1ckr n GLN 433 N 0.41 -4.26 -0.06 3.52 7.27 -1.26 -4.93 117.38 118.07 1ckr n GLN 433 Ca -0.01 3.24 -0.04 0.00 0.07 0.00 0.00 57.00 60.26 1ckr n GLN 433 Cb 0.01 -4.65 -0.01 0.00 2.41 0.00 0.00 30.24 27.99 1ckr n GLN 433 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1ckr n PRO 434 N 1.56 0.39 -0.04 3.69 -0.02 -1.26 -4.98 135.00 134.34 1ckr n PRO 434 Ca -0.35 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1ckr n PRO 434 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1ckr n PRO 434 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ckr n GLY 435 N 1.61 0.91 3.52 -1.23 0.00 -1.26 -4.99 105.19 103.74 1ckr n GLY 435 Ca -0.07 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 1ckr n GLY 435 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ckr s VAL 436 N 0.00 3.66 -0.46 1.61 -7.23 -0.08 -4.88 120.40 113.02 1ckr s VAL 436 Ca 0.00 -0.47 -0.20 0.00 -1.81 0.00 0.00 61.98 59.50 1ckr s VAL 436 Cb 0.00 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.43 1ckr s VAL 436 CO 0.00 0.55 0.64 -0.22 -0.31 0.00 0.00 175.10 175.76 1ckr s LEU 437 N -0.21 4.63 -0.18 1.32 2.96 -1.21 -0.91 118.68 125.08 1ckr s LEU 437 Ca 0.03 -0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 1ckr s LEU 437 Cb -0.13 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 1ckr s LEU 437 CO 0.03 -0.82 0.08 -0.63 -1.32 0.00 0.00 176.35 173.69 1ckr s ILE 438 N 2.78 4.96 -0.06 6.68 -1.09 0.04 -4.64 121.20 129.87 1ckr s ILE 438 Ca 0.20 0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.65 1ckr s ILE 438 Cb -0.16 -3.24 0.02 0.00 -1.58 0.00 0.00 42.46 37.51 1ckr s ILE 438 CO 0.17 0.47 -0.05 -1.10 -1.23 0.00 0.00 174.94 173.19 1ckr s GLN 439 N 0.27 0.96 0.01 2.79 -0.21 -1.23 -1.03 119.66 121.22 1ckr s GLN 439 Ca 0.05 -0.12 -0.16 0.00 0.02 0.00 0.00 55.36 55.15 1ckr s GLN 439 Cb -0.12 -1.00 -0.06 0.00 1.00 0.00 0.00 33.01 32.83 1ckr s GLN 439 CO -0.00 -0.13 0.44 0.08 -2.12 0.00 0.00 175.29 173.56 1ckr s VAL 440 N 1.15 4.98 -0.17 1.09 1.01 0.74 0.36 120.40 129.56 1ckr s VAL 440 Ca -0.07 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.82 1ckr s VAL 440 Cb -0.14 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1ckr s VAL 440 CO -0.01 0.56 -0.13 -0.31 0.00 0.00 0.00 175.10 175.21 1ckr s TYR 441 N -1.00 2.32 -0.59 5.22 2.02 -0.85 -2.07 117.35 122.39 1ckr s TYR 441 Ca 0.25 -1.41 -0.16 0.00 -0.37 0.00 0.00 57.07 55.37 1ckr s TYR 441 Cb -0.17 -1.64 0.14 0.00 -0.40 0.00 0.00 41.96 39.89 1ckr s TYR 441 CO 0.14 -0.71 0.59 -2.00 -1.57 0.00 0.00 175.55 172.00 1ckr s GLU 442 N 1.43 3.09 0.00 -0.62 2.12 -0.87 -1.69 118.70 122.16 1ckr s GLU 442 Ca 0.02 -1.72 0.00 0.00 0.36 0.00 0.00 54.97 53.63 1ckr s GLU 442 Cb -0.14 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 29.93 1ckr s GLU 442 CO -0.10 -1.38 0.00 0.41 -0.54 0.00 0.00 175.26 173.65 1ckr n GLY 443 N 5.11 0.01 0.00 -1.50 0.00 -1.20 -2.40 105.19 105.20 1ckr n GLY 443 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1ckr n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ckr n GLU 444 N 0.00 0.00 0.00 1.61 4.71 -1.26 -4.78 120.64 120.92 1ckr n GLU 444 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ckr n GLU 444 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1ckr n GLU 444 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1ckr n ARG 445 N 0.00 3.05 -2.85 3.49 0.63 -1.26 -4.77 116.66 114.95 1ckr n ARG 445 Ca 0.00 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.49 1ckr n ARG 445 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1ckr n ARG 445 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ckr n ALA 446 N -3.00 3.99 -3.43 5.13 0.00 -1.26 -4.49 120.51 117.45 1ckr n ALA 446 Ca 0.00 -4.21 -0.00 0.00 0.00 0.00 0.00 53.44 49.23 1ckr n ALA 446 Cb 0.00 -3.11 0.02 0.00 0.00 0.00 0.00 19.45 16.36 1ckr n ALA 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckr n MET 447 N 5.75 0.59 -2.65 0.00 3.85 -1.26 -4.67 117.12 118.74 1ckr n MET 447 Ca 0.38 -1.17 -0.23 0.00 -1.00 0.00 0.00 57.70 55.68 1ckr n MET 447 Cb 0.42 1.47 -0.00 0.00 -1.05 0.00 0.00 33.22 34.05 1ckr n MET 447 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1ckr n THR 448 N -0.29 2.09 0.00 3.17 -2.24 -1.26 -3.20 114.28 112.54 1ckr n THR 448 Ca -0.05 -4.69 0.00 0.00 -2.27 0.00 0.00 64.05 57.04 1ckr n THR 448 Cb 0.32 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 1ckr n THR 448 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ckr n LYS 449 N -0.31 0.00 -1.32 -0.78 4.81 -1.26 -5.04 118.16 114.27 1ckr n LYS 449 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1ckr n LYS 449 Cb 0.64 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.68 1ckr n LYS 449 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ckr n ASP 450 N 0.00 0.31 -1.93 3.14 8.00 -1.26 -5.15 116.55 119.66 1ckr n ASP 450 Ca 0.00 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1ckr n ASP 450 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1ckr n ASP 450 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ckr n ASN 451 N 0.32 0.00 -4.38 -2.24 0.23 -1.26 -4.96 115.26 102.98 1ckr n ASN 451 Ca -0.06 -0.40 -0.45 0.00 -0.53 0.00 0.00 54.58 53.14 1ckr n ASN 451 Cb 0.99 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.65 1ckr n ASN 451 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1ckr s ASN 452 N -1.00 6.27 -0.34 0.53 0.01 -1.01 -4.91 114.94 114.49 1ckr s ASN 452 Ca 0.00 -1.59 -0.29 0.00 -0.71 0.00 0.00 52.86 50.27 1ckr s ASN 452 Cb 0.00 -2.31 -0.00 0.00 0.41 0.00 0.00 41.25 39.35 1ckr s ASN 452 CO 0.00 -1.07 1.45 -0.22 -1.51 0.00 0.00 177.10 175.75 1ckr s LEU 453 N 2.51 3.71 -0.17 0.60 0.20 -1.26 -2.05 118.68 122.22 1ckr s LEU 453 Ca 0.14 1.11 -0.13 0.00 0.69 0.00 0.00 54.13 55.94 1ckr s LEU 453 Cb -0.21 -3.54 0.05 0.00 -0.43 0.00 0.00 46.19 42.06 1ckr s LEU 453 CO 0.04 -1.33 0.44 -1.48 -0.29 0.00 0.00 176.35 173.72 1ckr s LEU 454 N 5.24 0.13 -0.00 -0.68 0.05 -0.88 -5.05 118.68 117.49 1ckr s LEU 454 Ca 0.63 0.91 -0.00 0.00 0.05 0.00 0.00 54.13 55.73 1ckr s LEU 454 Cb -0.17 1.49 0.00 0.00 -2.05 0.00 0.00 46.19 45.46 1ckr s LEU 454 CO 0.29 -0.17 0.00 0.61 -0.55 0.00 0.00 176.35 176.54 1ckr n GLY 455 N 3.38 -2.96 2.90 -3.48 0.00 -1.26 -3.29 105.19 100.47 1ckr n GLY 455 Ca -0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1ckr n GLY 455 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckr s LYS 456 N -1.69 0.21 0.05 1.61 -2.85 -1.26 -0.18 119.74 115.62 1ckr s LYS 456 Ca -0.00 -0.07 0.01 0.00 -1.00 0.00 0.00 55.97 54.91 1ckr s LYS 456 Cb 0.00 -0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.52 1ckr s LYS 456 CO 0.01 0.03 -0.06 -0.59 0.10 0.00 0.00 175.35 174.84 1ckr s PHE 457 N 0.05 0.62 -0.25 1.78 -0.71 -0.20 -5.01 117.98 114.26 1ckr s PHE 457 Ca -0.00 -0.66 -0.06 0.00 -1.04 0.00 0.00 56.93 55.18 1ckr s PHE 457 Cb -0.02 -0.38 -0.01 0.00 -1.21 0.00 0.00 43.02 41.39 1ckr s PHE 457 CO -0.00 -0.15 0.02 -2.00 -1.34 0.00 0.00 175.22 171.75 1ckr s GLU 458 N -2.29 3.41 -0.24 1.99 2.12 -1.26 -0.78 118.70 121.65 1ckr s GLU 458 Ca -0.05 -0.62 -0.09 0.00 0.36 0.00 0.00 54.97 54.57 1ckr s GLU 458 Cb -0.05 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1ckr s GLU 458 CO -0.02 -0.24 0.13 -1.17 -0.54 0.00 0.00 175.26 173.41 1ckr s LEU 459 N 1.53 3.91 0.01 2.70 2.96 -0.09 -4.99 118.68 124.70 1ckr s LEU 459 Ca 0.05 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1ckr s LEU 459 Cb -0.15 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 1ckr s LEU 459 CO 0.00 0.04 -0.02 0.42 -1.32 0.00 0.00 176.35 175.48 1ckr s THR 460 N 1.18 0.07 0.00 3.68 -4.23 -1.26 -0.90 115.64 114.18 1ckr s THR 460 Ca 0.06 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 1ckr s THR 460 Cb -0.14 -0.14 0.00 0.00 1.34 0.00 0.00 72.50 73.56 1ckr s THR 460 CO 0.05 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1ckr n GLY 461 N 2.38 -0.10 3.83 3.99 0.00 -1.26 -5.08 105.19 108.96 1ckr n GLY 461 Ca -0.18 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 1ckr n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckr s ILE 462 N 0.00 4.74 -0.15 -0.61 -1.09 -1.26 -4.88 121.20 117.95 1ckr s ILE 462 Ca 0.00 0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 59.12 1ckr s ILE 462 Cb 0.00 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1ckr s ILE 462 CO 0.00 0.19 1.67 -2.16 -1.23 0.00 0.00 174.94 173.41 1ckr s PRO 463 N -2.06 3.92 -0.85 2.79 0.04 -1.26 -4.67 135.00 132.91 1ckr s PRO 463 Ca 0.41 1.92 -0.25 0.00 0.04 0.00 0.00 61.00 63.12 1ckr s PRO 463 Cb -0.15 -4.03 0.05 0.00 0.04 0.00 0.00 34.50 30.40 1ckr s PRO 463 CO 0.20 -1.15 1.31 -1.25 0.04 0.00 0.00 177.00 176.15 1ckr s PRO 464 N 4.50 3.35 0.49 0.56 0.04 -1.26 -4.42 135.00 138.26 1ckr s PRO 464 Ca 0.74 -0.69 0.05 0.00 0.04 0.00 0.00 61.00 61.15 1ckr s PRO 464 Cb -0.29 -4.66 -0.00 0.00 0.04 0.00 0.00 34.50 29.59 1ckr s PRO 464 CO 0.30 -2.13 0.25 0.00 0.04 0.00 0.00 177.00 175.46 1ckr s ALA 465 N 5.18 4.08 0.73 8.56 0.00 -1.26 -4.85 121.76 134.20 1ckr s ALA 465 Ca 0.38 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 1ckr s ALA 465 Cb -0.06 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1ckr s ALA 465 CO 0.04 -0.26 1.08 -2.14 0.00 0.00 0.00 175.76 174.47 1ckr s PRO 466 N -4.07 2.62 -0.31 0.00 0.02 -1.26 -1.42 135.00 130.57 1ckr s PRO 466 Ca 0.32 1.07 -0.35 0.00 0.02 0.00 0.00 61.00 62.06 1ckr s PRO 466 Cb 0.00 -1.95 -0.15 0.00 0.02 0.00 0.00 34.50 32.43 1ckr s PRO 466 CO 0.18 -1.35 1.14 -2.13 -0.33 0.00 0.00 177.00 174.51 1ckr n ARG 467 N -3.28 0.00 -0.82 5.54 0.63 -1.26 -1.02 116.66 116.45 1ckr n ARG 467 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1ckr n ARG 467 Cb 0.53 -1.13 0.00 0.00 0.45 0.00 0.00 32.46 32.31 1ckr n ARG 467 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ckr n GLY 468 N 2.69 1.26 0.12 5.14 0.00 -1.10 -4.93 105.19 108.36 1ckr n GLY 468 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 1ckr n GLY 468 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ckr n VAL 469 N -2.00 1.38 -1.73 1.61 0.31 -0.19 -4.71 118.33 113.00 1ckr n VAL 469 Ca 0.00 -0.54 -0.42 0.00 -0.01 0.00 0.00 64.34 63.36 1ckr n VAL 469 Cb 0.00 -1.31 -0.01 0.00 -0.91 0.00 0.00 33.84 31.61 1ckr n VAL 469 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ckr n PRO 470 N -3.18 2.49 -3.70 5.55 -0.02 -1.26 -4.86 135.00 130.02 1ckr n PRO 470 Ca -0.42 0.88 -0.10 0.00 -2.02 0.00 0.00 63.50 61.84 1ckr n PRO 470 Cb 0.96 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 1ckr n PRO 470 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1ckr s GLN 471 N -1.05 1.05 -0.05 -0.52 -2.07 -1.26 -2.26 119.66 113.50 1ckr s GLN 471 Ca 0.61 -0.79 -0.03 0.00 -1.82 0.00 0.00 55.36 53.34 1ckr s GLN 471 Cb -0.53 0.44 0.03 0.00 -1.09 0.00 0.00 33.01 31.86 1ckr s GLN 471 CO 0.54 -0.40 0.11 0.96 -1.32 0.00 0.00 175.29 175.19 1ckr s ILE 472 N -3.83 -0.03 -0.54 3.63 -0.00 0.53 -4.46 121.20 116.50 1ckr s ILE 472 Ca 0.04 0.12 -0.18 0.00 -0.00 0.00 0.00 60.65 60.63 1ckr s ILE 472 Cb 0.02 -0.19 0.09 0.00 -0.00 0.00 0.00 42.46 42.39 1ckr s ILE 472 CO -0.11 0.05 0.61 -0.70 -0.00 0.00 0.00 174.94 174.79 1ckr s GLU 473 N 0.76 3.05 -0.84 0.37 2.12 0.91 -0.18 118.70 124.91 1ckr s GLU 473 Ca -0.06 -1.24 -0.25 0.00 0.36 0.00 0.00 54.97 53.77 1ckr s GLU 473 Cb -0.08 -4.20 0.03 0.00 0.26 0.00 0.00 34.13 30.14 1ckr s GLU 473 CO -0.03 -1.34 1.41 0.08 -0.54 0.00 0.00 175.26 174.84 1ckr s VAL 474 N 2.37 3.75 -0.25 3.70 1.01 -0.44 -0.67 120.40 129.87 1ckr s VAL 474 Ca 0.10 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 1ckr s VAL 474 Cb -0.23 -4.86 -0.04 0.00 0.00 0.00 0.00 36.38 31.25 1ckr s VAL 474 CO 0.08 -1.78 0.34 -0.89 0.00 0.00 0.00 175.10 172.85 1ckr s THR 475 N 5.90 5.21 -0.49 3.92 2.01 0.37 -2.38 115.64 130.18 1ckr s THR 475 Ca 0.43 0.52 -0.11 0.00 0.31 0.00 0.00 61.69 62.84 1ckr s THR 475 Cb -0.05 -3.67 0.12 0.00 0.01 0.00 0.00 72.50 68.91 1ckr s THR 475 CO 0.06 0.20 0.39 -0.36 -0.69 0.00 0.00 174.62 174.22 1ckr s PHE 476 N 1.79 3.37 -0.61 4.92 0.40 0.05 -0.04 117.98 127.86 1ckr s PHE 476 Ca 0.14 -1.70 -0.14 0.00 -0.60 0.00 0.00 56.93 54.64 1ckr s PHE 476 Cb -0.15 -3.58 0.15 0.00 0.51 0.00 0.00 43.02 39.95 1ckr s PHE 476 CO 0.09 -1.00 0.54 0.34 0.70 0.00 0.00 175.22 175.89 1ckr s ASP 477 N 2.94 6.21 0.03 1.36 2.15 -0.74 -1.23 116.67 127.39 1ckr s ASP 477 Ca 0.05 -2.12 -0.23 0.00 0.43 0.00 0.00 52.55 50.68 1ckr s ASP 477 Cb -0.27 -2.16 -0.06 0.00 -0.30 0.00 0.00 42.92 40.14 1ckr s ASP 477 CO 0.00 -0.72 0.69 -0.63 -0.17 0.00 0.00 175.17 174.34 1ckr s ILE 478 N 1.07 4.78 0.26 4.11 1.01 -0.17 -1.11 121.20 131.15 1ckr s ILE 478 Ca 0.08 1.46 -0.12 0.00 0.00 0.00 0.00 60.65 62.08 1ckr s ILE 478 Cb -0.23 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 1ckr s ILE 478 CO -0.01 0.40 0.61 -1.81 0.00 0.00 0.00 174.94 174.14 1ckr s ASP 479 N -0.22 6.69 0.61 3.58 1.01 0.64 -2.68 116.67 126.30 1ckr s ASP 479 Ca 0.35 1.06 0.27 0.00 0.71 0.00 0.00 52.55 54.94 1ckr s ASP 479 Cb -0.20 -2.28 1.32 0.00 1.01 0.00 0.00 42.92 42.78 1ckr s ASP 479 CO 0.21 -0.11 1.74 0.00 0.21 0.00 0.00 175.17 177.21 1ckr h ALA 480 N 2.50 2.24 -0.75 5.23 0.00 -1.87 -2.26 119.26 124.34 1ckr h ALA 480 Ca -0.47 -0.02 -0.52 0.00 0.00 0.00 0.00 54.91 53.90 1ckr h ALA 480 Cb 1.17 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 1ckr h ALA 480 CO 0.68 -0.91 0.67 0.09 0.00 0.00 0.00 179.25 179.77 1ckr n ASN 481 N -3.46 7.11 -4.00 0.00 3.02 -1.26 -4.81 115.26 111.86 1ckr n ASN 481 Ca 0.10 -3.45 -0.29 0.00 -0.03 0.00 0.00 54.58 50.90 1ckr n ASN 481 Cb 0.84 -1.03 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 1ckr n ASN 481 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ckr n GLY 482 N -0.26 -0.36 3.35 7.41 0.00 -0.87 -4.79 105.19 109.67 1ckr n GLY 482 Ca 0.48 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 46.27 1ckr n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckr s ILE 483 N -3.58 4.04 -0.48 -0.61 1.01 -1.07 -4.31 121.20 116.20 1ckr s ILE 483 Ca 0.38 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 60.06 1ckr s ILE 483 Cb -0.20 -3.10 0.03 0.00 0.01 0.00 0.00 42.46 39.20 1ckr s ILE 483 CO 0.88 0.05 0.99 -0.22 0.00 0.00 0.00 174.94 176.64 1ckr s LEU 484 N 1.51 3.90 -1.09 2.97 0.20 -0.88 -0.26 118.68 125.03 1ckr s LEU 484 Ca 0.02 0.15 -0.16 0.00 0.69 0.00 0.00 54.13 54.84 1ckr s LEU 484 Cb -0.17 -3.24 0.16 0.00 -0.43 0.00 0.00 46.19 42.50 1ckr s LEU 484 CO 0.03 -1.14 1.29 0.21 -0.29 0.00 0.00 176.35 176.46 1ckr s ASN 485 N 2.40 6.89 -0.32 3.68 3.84 -0.27 -0.62 114.94 130.54 1ckr s ASN 485 Ca 0.39 -2.61 -0.22 0.00 0.21 0.00 0.00 52.86 50.63 1ckr s ASN 485 Cb -0.09 -2.39 -0.00 0.00 -0.55 0.00 0.00 41.25 38.21 1ckr s ASN 485 CO 0.27 -0.86 0.72 -0.69 -2.79 0.00 0.00 177.10 173.75 1ckr s VAL 486 N 1.96 4.84 0.30 -5.21 1.01 0.15 -1.79 120.40 121.66 1ckr s VAL 486 Ca 0.38 0.95 0.09 0.00 0.00 0.00 0.00 61.98 63.40 1ckr s VAL 486 Cb -0.04 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1ckr s VAL 486 CO -0.04 -0.26 0.07 -0.55 0.00 0.00 0.00 175.10 174.32 1ckr s SER 487 N 1.69 4.62 -0.06 3.32 0.15 0.94 -1.23 113.70 123.13 1ckr s SER 487 Ca 0.29 -0.71 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 1ckr s SER 487 Cb -0.14 -0.79 0.03 0.00 -1.71 0.00 0.00 66.02 63.40 1ckr s SER 487 CO 0.13 -0.15 0.01 0.00 1.20 0.00 0.00 173.24 174.43 1ckr s ALA 488 N -2.38 0.55 -0.17 5.45 0.00 -0.70 -0.48 121.76 124.03 1ckr s ALA 488 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1ckr s ALA 488 Cb -0.04 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1ckr s ALA 488 CO 0.21 -0.34 -0.16 0.08 0.00 0.00 0.00 175.76 175.55 1ckr s VAL 489 N 1.70 2.46 -1.19 0.00 1.01 0.16 -2.58 120.40 121.96 1ckr s VAL 489 Ca 0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 1ckr s VAL 489 Cb -0.13 -2.04 0.09 0.00 0.00 0.00 0.00 36.38 34.30 1ckr s VAL 489 CO -0.04 0.52 1.56 -1.81 0.00 0.00 0.00 175.10 175.33 1ckr s ASP 490 N 1.06 6.79 0.09 3.32 1.01 0.86 -0.06 116.67 129.74 1ckr s ASP 490 Ca -0.01 -2.29 -0.16 0.00 0.71 0.00 0.00 52.55 50.80 1ckr s ASP 490 Cb -0.14 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.17 1ckr s ASP 490 CO -0.05 -1.16 1.43 0.50 0.21 0.00 0.00 175.17 176.10 1ckr h LYS 491 N 8.11 0.61 -0.25 8.23 3.64 -1.80 0.15 116.57 135.25 1ckr h LYS 491 Ca 0.34 -0.29 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1ckr h LYS 491 Cb 0.92 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1ckr h LYS 491 CO 1.38 0.88 0.17 0.77 -2.27 0.00 0.00 179.45 180.38 1ckr h SER 492 N 0.34 0.22 0.86 4.20 0.02 -1.89 -0.97 113.55 116.33 1ckr h SER 492 Ca 0.05 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1ckr h SER 492 Cb 0.72 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1ckr h SER 492 CO 0.05 0.16 -0.03 0.41 -1.14 0.00 0.00 176.83 176.27 1ckr n THR 493 N -4.50 0.00 -3.83 -2.27 -1.04 -1.09 -5.02 114.28 96.53 1ckr n THR 493 Ca 0.01 -0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.74 1ckr n THR 493 Cb 0.14 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1ckr n THR 493 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ckr n GLY 494 N 1.45 -1.21 3.00 3.41 0.00 0.45 -5.01 105.19 107.28 1ckr n GLY 494 Ca 0.09 0.55 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 1ckr n GLY 494 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ckr s LYS 495 N -5.33 0.15 0.10 1.61 2.47 -0.79 -5.01 119.74 112.94 1ckr s LYS 495 Ca 0.08 0.69 0.03 0.00 -1.56 0.00 0.00 55.97 55.21 1ckr s LYS 495 Cb -0.04 -0.07 -0.04 0.00 -1.46 0.00 0.00 37.83 36.22 1ckr s LYS 495 CO 0.89 -0.26 -0.09 -1.83 0.16 0.00 0.00 175.35 174.22 1ckr s GLU 496 N 2.19 0.83 0.01 4.03 -1.05 -1.26 -0.09 118.70 123.36 1ckr s GLU 496 Ca -0.01 -1.21 0.02 0.00 -0.15 0.00 0.00 54.97 53.62 1ckr s GLU 496 Cb -0.12 -0.40 -0.01 0.00 -0.44 0.00 0.00 34.13 33.16 1ckr s GLU 496 CO -0.08 0.04 -0.06 1.21 0.95 0.00 0.00 175.26 177.32 1ckr s ASN 497 N -2.64 0.64 0.01 0.83 2.47 -1.06 -5.00 114.94 110.19 1ckr s ASN 497 Ca 0.07 -0.23 -0.07 0.00 0.42 0.00 0.00 52.86 53.05 1ckr s ASN 497 Cb -0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 41.25 39.77 1ckr s ASN 497 CO -0.02 -0.03 0.14 -1.59 -3.72 0.00 0.00 177.10 171.88 1ckr s LYS 498 N -0.58 0.51 -0.06 0.43 -2.85 -1.26 -1.72 119.74 114.21 1ckr s LYS 498 Ca -0.02 -0.45 0.06 0.00 -1.00 0.00 0.00 55.97 54.55 1ckr s LYS 498 Cb -0.04 0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 1ckr s LYS 498 CO -0.00 -0.12 -0.24 -1.50 0.10 0.00 0.00 175.35 173.59 1ckr s ILE 499 N -1.59 2.20 -0.44 3.79 2.07 -0.37 -4.96 121.20 121.89 1ckr s ILE 499 Ca -0.13 -1.02 -0.13 0.00 -1.41 0.00 0.00 60.65 57.96 1ckr s ILE 499 Cb -0.07 -1.81 0.07 0.00 0.13 0.00 0.00 42.46 40.79 1ckr s ILE 499 CO 0.01 0.57 0.33 -0.89 -1.91 0.00 0.00 174.94 173.04 1ckr s THR 500 N -0.24 4.77 -0.39 4.00 2.01 -1.26 -0.67 115.64 123.86 1ckr s THR 500 Ca -0.01 -1.19 -0.21 0.00 0.31 0.00 0.00 61.69 60.59 1ckr s THR 500 Cb -0.13 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1ckr s THR 500 CO 0.03 -0.53 0.66 -0.63 -0.69 0.00 0.00 174.62 173.46 1ckr s ILE 501 N 1.54 4.84 -0.41 1.82 1.01 0.21 -4.93 121.20 125.28 1ckr s ILE 501 Ca 0.03 0.46 -0.25 0.00 0.00 0.00 0.00 60.65 60.89 1ckr s ILE 501 Cb -0.23 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.11 1ckr s ILE 501 CO 0.05 -0.43 0.91 0.42 0.00 0.00 0.00 174.94 175.88 1ckr s THR 502 N 2.81 4.56 -1.44 2.92 -4.23 -1.26 -2.07 115.64 116.92 1ckr s THR 502 Ca 0.25 0.95 -0.14 0.00 -1.18 0.00 0.00 61.69 61.57 1ckr s THR 502 Cb -0.14 -4.36 0.04 0.00 1.34 0.00 0.00 72.50 69.38 1ckr s THR 502 CO 0.17 -0.65 2.21 -3.20 -0.54 0.00 0.00 174.62 172.61 1ckr n ASN 503 N 6.90 3.87 -0.01 3.99 2.85 -1.26 -4.39 115.26 127.21 1ckr n ASN 503 Ca 0.06 -2.84 -0.01 0.00 -0.11 0.00 0.00 54.58 51.68 1ckr n ASN 503 Cb 0.48 -1.65 -0.01 0.00 1.24 0.00 0.00 39.78 39.84 1ckr n ASN 503 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1ckr n ASP 504 N 6.18 4.40 -4.09 1.20 8.00 -1.26 -4.89 116.55 126.08 1ckr n ASP 504 Ca 0.52 -0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.59 1ckr n ASP 504 Cb 0.39 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 1ckr n ASP 504 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ckr n LYS 505 N -2.21 3.14 0.00 -1.24 5.02 -1.26 -4.41 118.16 117.20 1ckr n LYS 505 Ca -0.03 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 1ckr n LYS 505 Cb 0.54 -3.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.28 1ckr n LYS 505 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ckr n GLY 506 N 4.30 2.62 2.65 0.72 0.00 -1.26 -5.06 105.19 109.16 1ckr n GLY 506 Ca 0.47 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1ckr n GLY 506 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ckr n ARG 506 N 0.00 3.28 -0.30 1.61 3.00 -1.26 -4.92 116.66 118.06 1ckr n ARG 506 Ca 0.00 -4.69 0.04 0.00 -0.01 0.00 0.00 57.85 53.18 1ckr n ARG 506 Cb 0.00 -2.32 0.12 0.00 0.00 0.00 0.00 32.46 30.26 1ckr n ARG 506 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 1ckr h LEU 507 N 4.17 -0.77 0.00 0.55 -0.00 -1.98 -3.47 115.31 113.81 1ckr h LEU 507 Ca 0.21 0.26 0.00 0.00 -0.00 0.00 0.00 57.88 58.35 1ckr h LEU 507 Cb 0.59 0.52 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1ckr h LEU 507 CO 0.96 -0.28 0.00 -0.24 -0.00 0.00 0.00 178.44 178.88 1ckr n SER 508 N -5.54 0.00 -0.25 0.17 2.88 -1.26 -2.78 113.62 106.84 1ckr n SER 508 Ca 0.13 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.73 1ckr n SER 508 Cb 0.44 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.09 1ckr n SER 508 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1ckr h LYS 509 N 0.00 0.37 0.10 -1.46 -0.00 -1.99 -2.69 116.57 110.90 1ckr h LYS 509 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.65 60.62 1ckr h LYS 509 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.15 1ckr h LYS 509 CO 0.00 0.25 -0.05 1.05 -0.00 0.00 0.00 179.45 180.70 1ckr h GLU 510 N 0.38 -0.13 -0.08 0.07 4.11 -1.94 -2.76 114.58 114.24 1ckr h GLU 510 Ca 0.42 0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.76 1ckr h GLU 510 Cb 0.67 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ckr h GLU 510 CO -0.44 0.38 -0.34 -0.44 0.07 0.00 0.00 179.01 178.23 1ckr h ASP 511 N -0.77 0.44 -0.15 3.06 3.32 -1.63 -2.85 116.42 117.84 1ckr h ASP 511 Ca -0.01 -0.64 0.03 0.00 0.02 0.00 0.00 57.03 56.42 1ckr h ASP 511 Cb 0.57 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1ckr h ASP 511 CO 0.02 1.01 -0.03 0.40 -1.72 0.00 0.00 179.24 178.92 1ckr h ILE 512 N -0.10 0.86 -0.95 0.35 5.03 -1.64 -1.10 117.51 119.96 1ckr h ILE 512 Ca -0.02 -0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.78 1ckr h ILE 512 Cb 0.99 0.85 -0.06 0.00 -3.03 0.00 0.00 36.82 35.57 1ckr h ILE 512 CO 0.07 0.00 0.61 -0.08 -0.68 0.00 0.00 178.15 178.07 1ckr h GLU 513 N 0.01 1.08 0.35 2.37 4.81 -1.61 -1.94 114.58 119.65 1ckr h GLU 513 Ca 0.07 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1ckr h GLU 513 Cb 0.10 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1ckr h GLU 513 CO -0.14 0.71 -0.17 0.07 -0.73 0.00 0.00 179.01 178.75 1ckr h ARG 514 N 1.11 -0.45 0.27 1.92 0.11 -1.31 -3.39 114.38 112.64 1ckr h ARG 514 Ca 0.41 0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.51 1ckr h ARG 514 Cb 0.16 0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1ckr h ARG 514 CO -0.17 -0.13 -0.13 0.00 0.10 0.00 0.00 179.97 179.64 1ckr h MET 515 N -0.86 -0.35 -1.43 0.08 -0.00 -1.21 -3.39 114.93 107.76 1ckr h MET 515 Ca -0.05 0.02 -0.14 0.00 -0.00 0.00 0.00 59.70 59.54 1ckr h MET 515 Cb 0.53 0.08 -0.07 0.00 -0.00 0.00 0.00 31.60 32.14 1ckr h MET 515 CO 0.08 -0.24 0.18 1.55 -0.00 0.00 0.00 176.91 178.48 1ckr n VAL 516 N -4.85 1.99 -0.03 -0.10 3.14 -0.73 -0.09 118.33 117.66 1ckr n VAL 516 Ca -0.05 -0.78 -0.04 0.00 -2.96 0.00 0.00 64.34 60.51 1ckr n VAL 516 Cb 0.14 -1.18 -0.03 0.00 -1.06 0.00 0.00 33.84 31.72 1ckr n VAL 516 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ckr n GLN 517 N 0.59 0.14 -0.02 1.45 6.02 -1.26 -4.54 117.38 119.75 1ckr n GLN 517 Ca 0.14 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 57.05 1ckr n GLN 517 Cb 0.64 -1.08 -0.09 0.00 1.02 0.00 0.00 30.24 30.73 1ckr n GLN 517 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1ckr h GLU 518 N -0.01 -0.07 0.00 -1.09 4.11 -1.68 -3.43 114.58 112.40 1ckr h GLU 518 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1ckr h GLU 518 Cb 1.19 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ckr h GLU 518 CO -0.02 0.54 0.00 0.00 0.07 0.00 0.00 179.01 179.60 1ckr n ALA 519 N -2.57 0.00 -0.27 1.06 0.00 0.87 -1.82 120.51 117.79 1ckr n ALA 519 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.52 1ckr n ALA 519 Cb 0.32 0.01 0.44 0.00 0.00 0.00 0.00 19.45 20.21 1ckr n ALA 519 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ckr h GLU 520 N 0.00 0.54 0.00 0.00 -0.00 -1.83 0.27 114.58 113.56 1ckr h GLU 520 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 1ckr h GLU 520 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 28.63 1ckr h GLU 520 CO 0.00 0.36 0.00 1.63 -0.00 0.00 0.00 179.01 181.00 1ckr n LYS 521 N -4.56 0.00 0.00 1.06 5.02 -1.26 -2.72 118.16 115.70 1ckr n LYS 521 Ca 0.19 0.40 0.02 0.00 -2.02 0.00 0.00 58.31 56.90 1ckr n LYS 521 Cb 0.59 -1.30 0.08 0.00 -0.02 0.00 0.00 35.03 34.39 1ckr n LYS 521 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1ckr n TYR 522 N -1.56 0.00 -0.04 2.13 4.19 -0.75 -2.16 117.16 118.96 1ckr n TYR 522 Ca 0.00 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.19 1ckr n TYR 522 Cb 0.00 -0.44 -0.01 0.00 0.49 0.00 0.00 39.34 39.38 1ckr n TYR 522 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 1ckr h LYS 523 N 0.00 0.00 0.00 2.98 1.57 -0.50 0.42 116.57 121.04 1ckr h LYS 523 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ckr h LYS 523 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1ckr h LYS 523 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1ckr h ALA 524 N -1.31 1.00 0.03 3.86 0.00 -1.55 -0.55 119.26 120.74 1ckr h ALA 524 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1ckr h ALA 524 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ckr h ALA 524 CO 0.00 0.00 -1.47 1.49 0.00 0.00 0.00 179.25 179.27 1ckr h GLU 525 N 0.00 0.06 0.00 0.00 4.81 -1.60 -3.06 114.58 114.80 1ckr h GLU 525 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1ckr h GLU 525 Cb 0.00 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ckr h GLU 525 CO 0.00 0.80 0.18 0.22 -0.73 0.00 0.00 179.01 179.48 1ckr h ASP 526 N 0.02 0.00 -0.71 1.04 1.82 0.73 -3.46 116.42 115.86 1ckr h ASP 526 Ca -0.20 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 1ckr h ASP 526 Cb 1.94 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.95 1ckr h ASP 526 CO 0.11 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.12 1ckr n GLU 527 N -2.70 0.00 -3.31 0.28 1.02 -0.97 -4.34 120.64 110.62 1ckr n GLU 527 Ca -0.02 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 1ckr n GLU 527 Cb 0.23 -0.35 0.03 0.00 -0.02 0.00 0.00 31.44 31.32 1ckr n GLU 527 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ckr n LYS 528 N -0.33 -1.58 0.00 3.49 4.01 -1.16 -4.74 118.16 117.85 1ckr n LYS 528 Ca 0.00 1.04 0.00 0.00 -0.51 0.00 0.00 58.31 58.84 1ckr n LYS 528 Cb 0.12 -5.09 0.00 0.00 -0.51 0.00 0.00 35.03 29.55 1ckr n LYS 528 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ckr n GLN 529 N -2.73 0.00 -0.39 1.97 0.00 -0.98 -0.95 117.38 114.29 1ckr n GLN 529 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 57.00 57.01 1ckr n GLN 529 Cb 0.57 0.00 0.27 0.00 0.00 0.00 0.00 30.24 31.08 1ckr n GLN 529 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ckr n ARG 530 N -0.30 2.76 0.13 2.61 5.12 -1.25 -4.31 116.66 121.42 1ckr n ARG 530 Ca 0.00 -2.19 -0.13 0.00 -1.93 0.00 0.00 57.85 53.60 1ckr n ARG 530 Cb 0.00 -1.61 -0.08 0.00 -1.16 0.00 0.00 32.46 29.61 1ckr n ARG 530 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 1ckr h ASP 531 N 3.35 -0.28 -2.67 0.55 3.58 -1.28 -3.38 116.42 116.29 1ckr h ASP 531 Ca 0.00 -0.20 -0.54 0.00 0.42 0.00 0.00 57.03 56.71 1ckr h ASP 531 Cb 0.99 0.07 -0.08 0.00 1.72 0.00 0.00 39.33 42.03 1ckr h ASP 531 CO 0.09 0.06 1.03 -1.59 -2.88 0.00 0.00 179.24 175.96 1ckr s LYS 532 N -4.77 3.31 -0.03 0.28 0.00 -1.13 -4.29 119.74 113.10 1ckr s LYS 532 Ca -0.14 -0.05 -0.24 0.00 0.00 0.00 0.00 55.97 55.54 1ckr s LYS 532 Cb 0.02 -4.12 0.05 0.00 0.00 0.00 0.00 37.83 33.78 1ckr s LYS 532 CO 0.57 -1.98 0.51 0.54 0.00 0.00 0.00 175.35 175.00 1ckr s VAL 533 N 5.47 0.03 0.00 1.79 0.11 0.44 -4.98 120.40 123.25 1ckr s VAL 533 Ca 0.38 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1ckr s VAL 533 Cb -0.08 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1ckr s VAL 533 CO 0.19 -0.12 0.00 -0.24 -3.33 0.00 0.00 175.10 171.60 1ckr n SER 534 N 1.08 0.00 -4.38 3.54 2.88 -1.26 -2.40 113.62 113.08 1ckr n SER 534 Ca -0.20 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 56.88 1ckr n SER 534 Cb 0.57 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 1ckr n SER 534 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ckr s SER 535 N -4.00 6.75 0.00 -3.46 0.15 -1.26 -4.85 113.70 107.03 1ckr s SER 535 Ca 0.00 -2.52 0.00 0.00 0.70 0.00 0.00 55.95 54.13 1ckr s SER 535 Cb 0.00 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1ckr s SER 535 CO 0.00 -0.73 0.00 1.17 1.20 0.00 0.00 173.24 174.88 1ckr n LYS 536 N 4.85 0.00 -3.16 5.44 0.00 -1.24 -4.21 118.16 119.84 1ckr n LYS 536 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.27 1ckr n LYS 536 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.45 1ckr n LYS 536 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ckr n ASN 537 N 2.82 0.05 -4.72 3.14 4.13 -1.14 -0.42 115.26 119.12 1ckr n ASN 537 Ca 0.00 -2.78 -0.30 0.00 1.68 0.00 0.00 54.58 53.18 1ckr n ASN 537 Cb 0.00 -0.47 -0.07 0.00 -1.54 0.00 0.00 39.78 37.70 1ckr n ASN 537 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1ckr s SER 538 N -1.37 5.21 -0.46 6.41 1.04 -1.01 0.42 113.70 123.95 1ckr s SER 538 Ca 0.35 -0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.72 1ckr s SER 538 Cb 0.20 -1.31 0.17 0.00 0.10 0.00 0.00 66.02 65.18 1ckr s SER 538 CO -0.11 0.18 0.37 0.00 0.98 0.00 0.00 173.24 174.66 1ckr n LEU 539 N 0.59 0.05 0.00 2.42 -0.00 -1.26 -4.32 117.00 114.48 1ckr n LEU 539 Ca -0.10 -4.50 0.00 0.00 -0.00 0.00 0.00 56.01 51.40 1ckr n LEU 539 Cb 0.52 0.35 0.00 0.00 -0.00 0.00 0.00 43.42 44.29 1ckr n LEU 539 CO 0.41 1.85 0.00 -1.84 -0.00 0.00 0.00 177.39 177.80