#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckr n GLU 384 N 0.00 -1.21 -2.55 -1.46 -0.58 -1.26 -4.64 120.64 108.94 1ckr n GLU 384 Ca 0.00 0.93 -0.42 0.00 -0.42 0.00 0.00 57.16 57.26 1ckr n GLU 384 Cb 0.00 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 1ckr n GLU 384 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1ckr s ASN 385 N -5.69 6.67 -0.03 1.62 0.01 -1.26 -4.93 114.94 111.32 1ckr s ASN 385 Ca 0.00 -2.20 0.00 0.00 -0.71 0.00 0.00 52.86 49.96 1ckr s ASN 385 Cb 0.00 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 39.11 1ckr s ASN 385 CO 0.00 -1.34 0.00 0.54 -1.51 0.00 0.00 177.10 174.79 1ckr s VAL 386 N 4.75 0.19 -0.75 1.60 0.11 -1.26 -5.12 120.40 119.92 1ckr s VAL 386 Ca 0.53 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.47 1ckr s VAL 386 Cb 0.03 -0.29 0.09 0.00 -1.53 0.00 0.00 36.38 34.67 1ckr s VAL 386 CO 0.05 0.16 1.02 -1.58 -3.33 0.00 0.00 175.10 171.41 1ckr s GLN 387 N 1.15 3.26 -0.63 1.54 0.74 -1.26 -5.01 119.66 119.45 1ckr s GLN 387 Ca -0.08 -1.13 -0.27 0.00 0.05 0.00 0.00 55.36 53.93 1ckr s GLN 387 Cb -0.13 -4.47 0.03 0.00 1.10 0.00 0.00 33.01 29.54 1ckr s GLN 387 CO -0.02 -1.81 1.19 0.34 -0.55 0.00 0.00 175.29 174.44 1ckr s ASP 388 N 3.71 6.35 -1.30 6.67 2.15 -1.26 -4.96 116.67 128.03 1ckr s ASP 388 Ca 0.26 -0.12 -0.09 0.00 0.43 0.00 0.00 52.55 53.03 1ckr s ASP 388 Cb -0.13 -2.54 0.15 0.00 -0.30 0.00 0.00 42.92 40.10 1ckr s ASP 388 CO 0.04 -1.56 1.96 0.18 -0.17 0.00 0.00 175.17 175.61 1ckr n LEU 389 N 8.61 6.83 -4.82 -1.34 4.77 -1.26 -5.01 117.00 124.78 1ckr n LEU 389 Ca 0.06 -4.65 -0.37 0.00 -0.03 0.00 0.00 56.01 51.03 1ckr n LEU 389 Cb 0.49 -1.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.04 1ckr n LEU 389 CO 0.71 1.45 0.31 -1.48 -1.33 0.00 0.00 177.39 177.04 1ckr s LEU 390 N -0.24 4.42 -0.68 2.23 2.34 -1.26 -5.04 118.68 120.45 1ckr s LEU 390 Ca 0.41 1.26 -0.25 0.00 0.06 0.00 0.00 54.13 55.61 1ckr s LEU 390 Cb 0.11 -3.23 0.04 0.00 -0.56 0.00 0.00 46.19 42.56 1ckr s LEU 390 CO -0.01 0.15 1.14 -0.76 -1.06 0.00 0.00 176.35 175.81 1ckr s LEU 391 N -1.63 3.66 -0.06 1.48 1.43 -1.26 -5.01 118.68 117.29 1ckr s LEU 391 Ca 0.36 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1ckr s LEU 391 Cb -0.17 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.45 1ckr s LEU 391 CO 0.20 -1.62 -0.16 -1.48 0.23 0.00 0.00 176.35 173.52 1ckr s LEU 392 N 4.97 1.82 -1.14 1.79 0.05 -1.26 -5.09 118.68 119.82 1ckr s LEU 392 Ca 0.31 -0.36 -0.15 0.00 0.05 0.00 0.00 54.13 53.99 1ckr s LEU 392 Cb -0.11 -0.97 0.16 0.00 -2.05 0.00 0.00 46.19 43.23 1ckr s LEU 392 CO 0.15 0.10 1.36 -1.81 -0.55 0.00 0.00 176.35 175.59 1ckr s ASP 393 N 0.38 6.97 -0.07 1.48 1.01 -1.26 -5.02 116.67 120.16 1ckr s ASP 393 Ca -0.11 -2.79 -0.03 0.00 0.71 0.00 0.00 52.55 50.33 1ckr s ASP 393 Cb -0.14 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1ckr s ASP 393 CO 0.04 -0.81 0.06 0.68 0.21 0.00 0.00 175.17 175.35 1ckr s VAL 394 N 1.78 4.74 0.04 -1.27 -7.23 -1.26 -1.43 120.40 115.77 1ckr s VAL 394 Ca 0.40 -0.18 -0.14 0.00 -1.81 0.00 0.00 61.98 60.25 1ckr s VAL 394 Cb -0.03 -3.07 -0.06 0.00 0.56 0.00 0.00 36.38 33.78 1ckr s VAL 394 CO -0.02 0.53 0.43 0.28 -0.31 0.00 0.00 175.10 176.01 1ckr s THR 395 N -1.02 5.00 0.49 5.32 -1.32 -0.82 -4.85 115.64 118.44 1ckr s THR 395 Ca 0.17 0.78 0.22 0.00 -1.21 0.00 0.00 61.69 61.64 1ckr s THR 395 Cb -0.12 -3.71 0.27 0.00 -1.51 0.00 0.00 72.50 67.43 1ckr s THR 395 CO 0.06 0.48 2.10 1.55 -2.21 0.00 0.00 174.62 176.60 1ckr h PRO 396 N 4.34 0.00 -6.26 7.08 0.13 -1.94 -2.41 132.00 132.93 1ckr h PRO 396 Ca -0.51 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.03 1ckr h PRO 396 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1ckr h PRO 396 CO 0.63 0.09 -0.72 -1.17 -0.23 0.00 0.00 178.00 176.60 1ckr s LEU 397 N -8.11 2.81 -0.39 1.56 2.96 -1.26 -3.01 118.68 113.24 1ckr s LEU 397 Ca -0.04 -0.85 -0.22 0.00 -0.22 0.00 0.00 54.13 52.80 1ckr s LEU 397 Cb 0.15 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 45.49 1ckr s LEU 397 CO 0.63 0.04 0.74 -0.94 -1.32 0.00 0.00 176.35 175.50 1ckr s SER 398 N -3.43 6.46 -0.23 3.68 1.04 -1.18 -4.53 113.70 115.51 1ckr s SER 398 Ca 0.29 0.11 -0.15 0.00 0.48 0.00 0.00 55.95 56.69 1ckr s SER 398 Cb -0.06 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 1ckr s SER 398 CO 0.16 -0.77 0.37 -0.76 0.98 0.00 0.00 173.24 173.23 1ckr s LEU 399 N 3.06 4.12 0.00 2.42 1.43 -1.26 -3.72 118.68 124.72 1ckr s LEU 399 Ca 0.29 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1ckr s LEU 399 Cb -0.13 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1ckr s LEU 399 CO 0.18 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1ckr n GLY 400 N 4.18 5.40 2.86 -3.19 0.00 -1.07 -4.38 105.19 108.99 1ckr n GLY 400 Ca -0.09 -1.23 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 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 1.16 0.17 -0.22 -0.61 -4.36 -1.15 -2.15 121.20 114.04 1ckr s ILE 401 Ca 0.00 0.01 -0.29 0.00 -0.26 0.00 0.00 60.65 60.11 1ckr s ILE 401 Cb 0.00 -0.21 0.00 0.00 1.25 0.00 0.00 42.46 43.50 1ckr s ILE 401 CO 0.00 0.10 1.14 -0.70 0.24 0.00 0.00 174.94 175.72 1ckr s GLU 402 N 0.52 4.22 0.00 0.37 2.12 0.11 -2.99 118.70 123.05 1ckr s GLU 402 Ca -0.05 1.45 0.00 0.00 0.36 0.00 0.00 54.97 56.73 1ckr s GLU 402 Cb -0.08 -3.71 0.00 0.00 0.26 0.00 0.00 34.13 30.60 1ckr s GLU 402 CO -0.01 -0.71 0.00 0.25 -0.54 0.00 0.00 175.26 174.25 1ckr n THR 403 N 5.43 0.00 0.03 -1.70 -2.24 0.07 -2.54 114.28 113.32 1ckr n THR 403 Ca 0.13 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.88 1ckr n THR 403 Cb 0.46 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1ckr n THR 403 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ckr h ALA 404 N 0.23 -0.67 -0.80 6.98 0.00 -1.71 -3.03 119.26 120.26 1ckr h ALA 404 Ca 0.00 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.31 1ckr h ALA 404 Cb 0.00 0.48 -0.23 0.00 0.00 0.00 0.00 17.79 18.04 1ckr h ALA 404 CO 0.00 -0.69 0.73 0.41 0.00 0.00 0.00 179.25 179.70 1ckr n GLY 405 N -1.08 5.14 2.21 0.00 0.00 -1.26 -4.86 105.19 105.35 1ckr n GLY 405 Ca -0.02 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.26 0.45 3.51 -0.02 0.00 -1.14 -4.92 105.19 102.79 1ckr n GLY 406 Ca 0.51 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.41 2.83 -0.09 1.61 -7.23 -1.26 -4.13 120.40 109.73 1ckr s VAL 407 Ca 0.00 -1.83 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 1ckr s VAL 407 Cb 0.00 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 1ckr s VAL 407 CO 0.00 -0.12 0.30 -0.32 -0.31 0.00 0.00 175.10 174.65 1ckr s MET 408 N -2.78 3.90 -0.15 4.82 0.00 -1.22 -0.75 119.30 123.13 1ckr s MET 408 Ca 0.23 0.16 -0.00 0.00 0.00 0.00 0.00 55.69 56.08 1ckr s MET 408 Cb -0.08 -3.28 -0.01 0.00 0.00 0.00 0.00 34.83 31.46 1ckr s MET 408 CO 0.13 0.56 -0.13 0.99 0.00 0.00 0.00 175.02 176.58 1ckr s THR 409 N -0.55 2.98 -0.31 10.11 2.01 -1.16 -4.29 115.64 124.43 1ckr s THR 409 Ca 0.19 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1ckr s THR 409 Cb -0.14 -2.26 0.05 0.00 0.01 0.00 0.00 72.50 70.15 1ckr s THR 409 CO 0.08 0.51 0.02 0.54 -0.69 0.00 0.00 174.62 175.07 1ckr s VAL 410 N 0.60 3.07 -0.83 3.82 0.11 -1.26 -2.92 120.40 122.99 1ckr s VAL 410 Ca -0.07 -1.40 0.26 0.00 -2.93 0.00 0.00 61.98 57.84 1ckr s VAL 410 Cb -0.16 -2.78 0.12 0.00 -1.53 0.00 0.00 36.38 32.03 1ckr s VAL 410 CO 0.03 -0.14 1.55 0.00 -3.33 0.00 0.00 175.10 173.21 1ckr n LEU 411 N 4.64 0.52 0.00 2.54 -0.00 -1.26 -4.90 117.00 118.54 1ckr n LEU 411 Ca -0.13 0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 1ckr n LEU 411 Cb 0.43 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 1ckr n LEU 411 CO 0.27 -0.02 0.00 -0.38 -0.00 0.00 0.00 177.39 177.26 1ckr n ILE 412 N -1.84 0.00 -3.57 1.47 2.08 -1.26 -4.96 119.36 111.28 1ckr n ILE 412 Ca 0.05 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.27 1ckr n ILE 412 Cb 0.39 -1.31 -0.02 0.00 -0.75 0.00 0.00 39.64 37.95 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 1.96 1.32 0.26 0.38 0.00 -1.26 -4.93 119.74 117.47 1ckr s LYS 413 Ca 0.00 -0.58 -0.27 0.00 0.00 0.00 0.00 55.97 55.12 1ckr s LYS 413 Cb 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 37.83 38.28 1ckr s LYS 413 CO 0.00 -0.59 0.91 -0.98 0.00 0.00 0.00 175.35 174.69 1ckr s ARG 414 N -3.65 4.68 -1.23 1.78 1.70 -1.26 -3.13 118.95 117.84 1ckr s ARG 414 Ca 0.05 1.35 -0.03 0.00 -0.47 0.00 0.00 55.73 56.62 1ckr s ARG 414 Cb -0.02 -3.06 -0.01 0.00 -0.57 0.00 0.00 34.95 31.29 1ckr s ARG 414 CO -0.06 0.42 0.80 0.09 -1.08 0.00 0.00 175.30 175.47 1ckr n ASN 415 N 1.07 -2.61 -4.70 -2.89 3.02 -0.94 -4.96 115.26 103.27 1ckr n ASN 415 Ca -0.01 -0.79 -0.40 0.00 -0.03 0.00 0.00 54.58 53.36 1ckr n ASN 415 Cb 0.49 -4.37 -0.05 0.00 -0.61 0.00 0.00 39.78 35.24 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 -3.54 5.02 -0.88 3.41 -1.32 -1.05 -4.81 115.64 112.47 1ckr s THR 416 Ca 0.12 1.39 -0.25 0.00 -1.21 0.00 0.00 61.69 61.75 1ckr s THR 416 Cb -0.03 -4.02 -0.05 0.00 -1.51 0.00 0.00 72.50 66.89 1ckr s THR 416 CO 0.79 0.19 1.94 -0.89 -2.21 0.00 0.00 174.62 174.44 1ckr s THR 417 N 1.24 3.44 0.24 5.08 2.01 -1.26 -1.95 115.64 124.43 1ckr s THR 417 Ca 0.35 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 1ckr s THR 417 Cb -0.17 -3.99 -0.08 0.00 0.01 0.00 0.00 72.50 68.27 1ckr s THR 417 CO 0.15 -0.94 0.64 0.27 -0.69 0.00 0.00 174.62 174.05 1ckr s ILE 418 N 10.05 4.78 0.52 1.82 -4.36 -0.52 -4.37 121.20 129.11 1ckr s ILE 418 Ca 0.70 0.83 -0.22 0.00 -0.26 0.00 0.00 60.65 61.71 1ckr s ILE 418 Cb -0.07 -3.68 -0.06 0.00 1.25 0.00 0.00 42.46 39.90 1ckr s ILE 418 CO 0.01 0.01 1.23 -2.16 0.24 0.00 0.00 174.94 174.27 1ckr s PRO 419 N -2.55 3.39 -0.18 0.37 0.04 -1.26 -4.63 135.00 130.18 1ckr s PRO 419 Ca 0.47 1.92 -0.10 0.00 0.04 0.00 0.00 61.00 63.33 1ckr s PRO 419 Cb -0.13 -2.24 0.06 0.00 0.04 0.00 0.00 34.50 32.23 1ckr s PRO 419 CO 0.19 -0.90 0.44 -0.08 0.04 0.00 0.00 177.00 176.70 1ckr s THR 420 N -1.49 -0.03 -0.43 1.26 -1.32 -1.03 -4.94 115.64 107.67 1ckr s THR 420 Ca 0.69 0.08 -0.08 0.00 -1.21 0.00 0.00 61.69 61.18 1ckr s THR 420 Cb -0.32 -0.65 0.09 0.00 -1.51 0.00 0.00 72.50 70.11 1ckr s THR 420 CO 0.38 0.03 0.26 -0.75 -2.21 0.00 0.00 174.62 172.34 1ckr s LYS 421 N 1.44 2.48 0.09 7.08 2.20 -1.25 -0.83 119.74 130.94 1ckr s LYS 421 Ca -0.10 -1.58 0.05 0.00 -0.36 0.00 0.00 55.97 53.98 1ckr s LYS 421 Cb -0.08 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 32.44 1ckr s LYS 421 CO -0.14 -1.02 -0.01 -0.65 -0.36 0.00 0.00 175.35 173.17 1ckr s GLN 422 N 1.36 2.51 -0.27 4.03 1.11 -0.66 -4.95 119.66 122.79 1ckr s GLN 422 Ca 0.04 -0.85 0.00 0.00 0.01 0.00 0.00 55.36 54.57 1ckr s GLN 422 Cb -0.24 -2.52 0.08 0.00 -1.01 0.00 0.00 33.01 29.32 1ckr s GLN 422 CO 0.00 0.54 0.02 0.95 0.01 0.00 0.00 175.29 176.82 1ckr s THR 423 N -1.29 1.30 -0.34 -0.19 -4.23 -1.26 -0.51 115.64 109.12 1ckr s THR 423 Ca 0.25 -1.37 -0.12 0.00 -1.18 0.00 0.00 61.69 59.28 1ckr s THR 423 Cb -0.12 -1.79 -0.00 0.00 1.34 0.00 0.00 72.50 71.93 1ckr s THR 423 CO 0.17 -0.38 0.21 -1.58 -0.54 0.00 0.00 174.62 172.50 1ckr s GLN 424 N 1.45 3.26 -0.46 3.99 2.00 -1.05 -4.98 119.66 123.87 1ckr s GLN 424 Ca 0.03 -0.79 -0.25 0.00 -2.00 0.00 0.00 55.36 52.34 1ckr s GLN 424 Cb -0.18 -3.73 0.03 0.00 0.80 0.00 0.00 33.01 29.93 1ckr s GLN 424 CO -0.13 -0.52 0.90 0.99 -0.50 0.00 0.00 175.29 176.03 1ckr s THR 425 N 1.65 4.51 0.21 -0.34 2.01 -1.26 -1.14 115.64 121.28 1ckr s THR 425 Ca 0.05 0.69 -0.09 0.00 0.31 0.00 0.00 61.69 62.65 1ckr s THR 425 Cb -0.18 -4.41 -0.07 0.00 0.01 0.00 0.00 72.50 67.85 1ckr s THR 425 CO 0.08 -0.81 0.51 -0.36 -0.69 0.00 0.00 174.62 173.36 1ckr s PHE 426 N 3.66 3.43 0.00 4.92 0.40 0.38 -4.95 117.98 125.82 1ckr s PHE 426 Ca 0.36 0.80 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 1ckr s PHE 426 Cb -0.10 -2.20 0.00 0.00 0.51 0.00 0.00 43.02 41.22 1ckr s PHE 426 CO 0.25 0.30 0.00 -2.37 0.70 0.00 0.00 175.22 174.10 1ckr n THR 427 N -0.11 0.00 -4.14 0.64 5.66 0.11 -0.24 114.28 116.20 1ckr n THR 427 Ca -0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 1ckr n THR 427 Cb 0.52 -0.52 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 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 2.31 0.95 -0.01 1.09 -4.23 -0.74 -4.18 115.64 110.83 1ckr s THR 428 Ca 0.00 -1.27 -0.09 0.00 -1.18 0.00 0.00 61.69 59.15 1ckr s THR 428 Cb 0.00 -0.96 -0.31 0.00 1.34 0.00 0.00 72.50 72.57 1ckr s THR 428 CO 0.00 -0.29 0.81 0.22 -0.54 0.00 0.00 174.62 174.82 1ckr h TYR 429 N 4.30 0.68 -4.26 3.99 3.20 -1.84 -2.74 116.97 120.29 1ckr h TYR 429 Ca -0.39 -0.49 -0.46 0.00 3.14 0.00 0.00 58.73 60.52 1ckr h TYR 429 Cb 1.19 -0.03 0.13 0.00 1.54 0.00 0.00 36.73 39.57 1ckr h TYR 429 CO 0.64 1.55 0.31 -1.12 -1.64 0.00 0.00 178.16 177.90 1ckr s SER 430 N -7.24 3.55 0.00 -2.11 0.01 -1.26 -4.68 113.70 101.96 1ckr s SER 430 Ca -0.12 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1ckr s SER 430 Cb 0.06 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1ckr s SER 430 CO 0.87 -2.52 0.61 0.47 0.41 0.00 0.00 173.24 173.08 1ckr n ASP 431 N -3.74 0.00 -4.32 2.44 9.92 -1.26 -4.24 116.55 115.35 1ckr n ASP 431 Ca 0.07 0.61 -0.36 0.00 -0.53 0.00 0.00 54.79 54.58 1ckr n ASP 431 Cb 0.59 -0.11 -0.13 0.00 -0.64 0.00 0.00 41.12 40.83 1ckr n ASP 431 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1ckr s ASN 432 N -2.01 4.88 -0.36 -2.24 0.01 -1.24 -3.50 114.94 110.47 1ckr s ASN 432 Ca 0.00 -0.66 -0.10 0.00 -0.71 0.00 0.00 52.86 51.39 1ckr s ASN 432 Cb 0.00 -1.83 0.01 0.00 0.41 0.00 0.00 41.25 39.84 1ckr s ASN 432 CO 0.00 -0.15 0.37 1.67 -1.51 0.00 0.00 177.10 177.48 1ckr n GLN 433 N 4.83 -2.59 0.00 -0.60 7.27 -1.26 -4.97 117.38 120.06 1ckr n GLN 433 Ca -0.15 2.23 0.00 0.00 0.07 0.00 0.00 57.00 59.15 1ckr n GLN 433 Cb 0.48 -5.30 0.00 0.00 2.41 0.00 0.00 30.24 27.83 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 0.02 0.00 0.00 3.69 -0.02 -1.26 -4.95 135.00 132.47 1ckr n PRO 434 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1ckr n PRO 434 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.76 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 3.10 1.80 3.68 -1.23 0.00 -1.26 -4.70 105.19 106.58 1ckr n GLY 435 Ca 0.00 0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.94 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 5.23 -0.51 1.61 -7.23 0.08 -4.92 120.40 114.66 1ckr s VAL 436 Ca 0.00 0.65 -0.18 0.00 -1.81 0.00 0.00 61.98 60.63 1ckr s VAL 436 Cb 0.00 -3.70 0.07 0.00 0.56 0.00 0.00 36.38 33.31 1ckr s VAL 436 CO 0.00 0.29 0.59 -0.22 -0.31 0.00 0.00 175.10 175.44 1ckr s LEU 437 N 1.11 5.16 -0.14 1.32 1.98 -1.26 -0.58 118.68 126.27 1ckr s LEU 437 Ca 0.18 -1.06 -0.05 0.00 -2.89 0.00 0.00 54.13 50.31 1ckr s LEU 437 Cb -0.14 -2.38 -0.04 0.00 0.66 0.00 0.00 46.19 44.29 1ckr s LEU 437 CO 0.07 -0.87 0.03 -0.63 -1.89 0.00 0.00 176.35 173.06 1ckr s ILE 438 N 2.42 4.51 -0.14 6.68 -1.09 0.16 -4.91 121.20 128.83 1ckr s ILE 438 Ca 0.12 -0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1ckr s ILE 438 Cb -0.21 -2.97 0.02 0.00 -1.58 0.00 0.00 42.46 37.72 1ckr s ILE 438 CO 0.10 0.53 -0.13 -1.10 -1.23 0.00 0.00 174.94 173.11 1ckr s GLN 439 N -0.20 2.19 -0.01 2.79 -0.21 -1.05 -1.12 119.66 122.05 1ckr s GLN 439 Ca 0.06 -0.52 -0.26 0.00 0.02 0.00 0.00 55.36 54.66 1ckr s GLN 439 Cb -0.12 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.83 1ckr s GLN 439 CO 0.02 -0.23 0.81 0.08 -2.12 0.00 0.00 175.29 173.85 1ckr s VAL 440 N 1.47 4.88 -0.20 1.09 1.01 -1.15 0.08 120.40 127.60 1ckr s VAL 440 Ca 0.04 1.70 -0.02 0.00 0.00 0.00 0.00 61.98 63.70 1ckr s VAL 440 Cb -0.13 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1ckr s VAL 440 CO -0.10 0.26 -0.11 -0.31 0.00 0.00 0.00 175.10 174.85 1ckr s TYR 441 N 0.59 2.88 -0.75 5.22 1.51 -0.92 -1.62 117.35 124.26 1ckr s TYR 441 Ca 0.42 -1.13 -0.19 0.00 -1.01 0.00 0.00 57.07 55.17 1ckr s TYR 441 Cb -0.20 -2.01 0.13 0.00 -0.11 0.00 0.00 41.96 39.77 1ckr s TYR 441 CO 0.23 -0.59 0.89 -2.00 -1.11 0.00 0.00 175.55 172.97 1ckr s GLU 442 N 1.27 3.33 0.00 -0.62 2.12 -1.08 -2.60 118.70 121.12 1ckr s GLU 442 Ca 0.03 -1.58 0.00 0.00 0.36 0.00 0.00 54.97 53.78 1ckr s GLU 442 Cb -0.14 -4.50 0.00 0.00 0.26 0.00 0.00 34.13 29.74 1ckr s GLU 442 CO -0.05 -1.62 0.00 0.41 -0.54 0.00 0.00 175.26 173.46 1ckr n GLY 443 N 5.15 -0.88 3.46 -1.50 0.00 -1.24 -1.03 105.19 109.15 1ckr n GLY 443 Ca 0.06 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1ckr n GLY 443 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ckr s GLU 444 N -0.01 1.09 0.00 1.61 2.02 -1.26 -3.18 118.70 118.97 1ckr s GLU 444 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 54.98 1ckr s GLU 444 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.74 1ckr s GLU 444 CO 0.00 -0.38 0.00 -2.13 0.02 0.00 0.00 175.26 172.77 1ckr n ARG 445 N 0.55 2.29 -1.45 1.61 0.00 -1.26 -4.68 116.66 113.72 1ckr n ARG 445 Ca -0.19 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.40 1ckr n ARG 445 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.98 1ckr n ARG 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ckr n ALA 446 N -3.00 6.56 -1.23 5.13 0.00 -1.26 -4.88 120.51 121.83 1ckr n ALA 446 Ca 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.48 1ckr n ALA 446 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1ckr n ALA 446 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1ckr n MET 447 N 1.55 -3.51 -1.68 0.00 2.81 -1.26 -4.73 117.12 110.29 1ckr n MET 447 Ca 0.51 2.58 0.00 0.00 -1.81 0.00 0.00 57.70 58.99 1ckr n MET 447 Cb 0.57 -2.88 0.00 0.00 -0.71 0.00 0.00 33.22 30.20 1ckr n MET 447 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ckr n THR 448 N -0.49 0.00 0.00 2.03 -2.24 -1.26 -4.90 114.28 107.42 1ckr n THR 448 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ckr n THR 448 Cb 0.00 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 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 -0.61 0.00 -3.16 -0.78 0.00 -1.26 -5.10 118.16 107.25 1ckr n LYS 449 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.34 1ckr n LYS 449 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.41 1ckr n LYS 449 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1ckr s ASP 450 N -1.00 -1.55 0.88 3.14 -4.77 -1.26 -5.08 116.67 107.03 1ckr s ASP 450 Ca 0.00 -0.06 -0.08 0.00 -3.30 0.00 0.00 52.55 49.11 1ckr s ASP 450 Cb 0.00 1.97 0.13 0.00 -1.09 0.00 0.00 42.92 43.93 1ckr s ASP 450 CO 0.00 -0.26 0.81 -0.46 0.70 0.00 0.00 175.17 175.96 1ckr n ASN 451 N 5.14 0.32 -4.26 2.11 0.23 -1.19 -4.79 115.26 112.81 1ckr n ASN 451 Ca 0.07 -1.45 -0.40 0.00 -0.53 0.00 0.00 54.58 52.27 1ckr n ASN 451 Cb 0.55 -0.60 -0.10 0.00 -2.08 0.00 0.00 39.78 37.55 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 -4.05 5.61 0.01 0.53 -0.87 -0.19 -4.92 114.94 111.06 1ckr s ASN 452 Ca 0.48 -1.52 -0.30 0.00 -1.57 0.00 0.00 52.86 49.95 1ckr s ASN 452 Cb -0.02 -1.98 -0.07 0.00 -0.02 0.00 0.00 41.25 39.17 1ckr s ASN 452 CO 0.33 -0.53 1.68 -0.22 -2.57 0.00 0.00 177.10 175.79 1ckr s LEU 453 N 1.41 4.35 -0.18 0.60 0.20 -1.26 -2.62 118.68 121.18 1ckr s LEU 453 Ca 0.03 2.39 0.01 0.00 0.69 0.00 0.00 54.13 57.24 1ckr s LEU 453 Cb -0.23 -3.55 0.03 0.00 -0.43 0.00 0.00 46.19 42.02 1ckr s LEU 453 CO 0.02 -0.92 -0.14 -0.76 -0.29 0.00 0.00 176.35 174.26 1ckr s LEU 454 N 3.48 2.13 0.00 -0.68 1.43 -0.64 -4.98 118.68 119.42 1ckr s LEU 454 Ca 0.75 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1ckr s LEU 454 Cb -0.37 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1ckr s LEU 454 CO 0.32 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.42 1ckr n GLY 455 N 4.68 1.03 1.60 -3.19 0.00 -1.26 -2.92 105.19 105.13 1ckr n GLY 455 Ca -0.17 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1ckr n GLY 455 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckr n LYS 456 N 0.00 -4.54 -3.81 1.61 2.85 -1.26 -4.95 118.16 108.07 1ckr n LYS 456 Ca 0.00 3.40 -0.09 0.00 -1.05 0.00 0.00 58.31 60.57 1ckr n LYS 456 Cb 0.00 -3.90 -0.07 0.00 -0.65 0.00 0.00 35.03 30.41 1ckr n LYS 456 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1ckr s PHE 457 N -3.79 0.06 -0.13 5.58 -0.71 -0.28 -5.01 117.98 113.71 1ckr s PHE 457 Ca 0.00 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.46 1ckr s PHE 457 Cb 0.00 0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 1ckr s PHE 457 CO 0.00 -0.56 -0.14 -2.00 -1.34 0.00 0.00 175.22 171.18 1ckr s GLU 458 N -3.67 3.37 -0.13 1.99 2.12 -1.26 -0.66 118.70 120.46 1ckr s GLU 458 Ca 0.03 -0.70 0.02 0.00 0.36 0.00 0.00 54.97 54.68 1ckr s GLU 458 Cb 0.03 -2.61 -0.00 0.00 0.26 0.00 0.00 34.13 31.81 1ckr s GLU 458 CO -0.10 0.21 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.48 1ckr s LEU 459 N 0.35 2.36 -0.06 2.70 2.96 0.26 -4.98 118.68 122.27 1ckr s LEU 459 Ca -0.11 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.29 1ckr s LEU 459 Cb -0.16 -1.51 0.04 0.00 0.50 0.00 0.00 46.19 45.06 1ckr s LEU 459 CO 0.06 0.13 0.12 0.42 -1.32 0.00 0.00 176.35 175.76 1ckr s THR 460 N 0.54 -0.14 0.00 3.68 -4.23 -1.26 -0.74 115.64 113.48 1ckr s THR 460 Ca -0.12 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1ckr s THR 460 Cb -0.16 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.46 1ckr s THR 460 CO 0.04 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1ckr n GLY 461 N 4.85 -1.80 3.76 3.99 0.00 -1.26 -5.07 105.19 109.66 1ckr n GLY 461 Ca -0.14 0.71 -0.39 0.00 0.00 0.00 0.00 46.02 46.20 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 3.97 -0.30 -0.61 -1.09 -1.26 -4.85 121.20 117.06 1ckr s ILE 462 Ca 0.00 1.88 -0.29 0.00 -2.23 0.00 0.00 60.65 60.01 1ckr s ILE 462 Cb 0.00 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 1ckr s ILE 462 CO 0.00 0.36 1.44 -2.16 -1.23 0.00 0.00 174.94 173.35 1ckr s PRO 463 N -1.51 3.78 -0.39 2.79 0.04 -1.26 -4.74 135.00 133.71 1ckr s PRO 463 Ca 0.45 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 1ckr s PRO 463 Cb -0.25 -3.97 0.02 0.00 0.04 0.00 0.00 34.50 30.34 1ckr s PRO 463 CO 0.31 -1.30 1.12 -1.25 0.04 0.00 0.00 177.00 175.93 1ckr s PRO 464 N 4.54 3.89 0.27 0.56 0.04 -1.26 -4.36 135.00 138.69 1ckr s PRO 464 Ca 0.63 0.84 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1ckr s PRO 464 Cb -0.19 -3.83 -0.00 0.00 0.04 0.00 0.00 34.50 30.52 1ckr s PRO 464 CO 0.27 -1.15 0.03 0.00 0.04 0.00 0.00 177.00 176.20 1ckr n ALA 465 N 7.39 0.29 -1.50 8.56 0.00 -1.26 -4.94 120.51 129.05 1ckr n ALA 465 Ca 0.12 -1.29 -0.31 0.00 0.00 0.00 0.00 53.44 51.96 1ckr n ALA 465 Cb 0.48 0.77 0.07 0.00 0.00 0.00 0.00 19.45 20.77 1ckr n ALA 465 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ckr s PRO 466 N -3.01 2.57 -0.13 0.00 0.02 -1.26 -3.70 135.00 129.48 1ckr s PRO 466 Ca 0.05 0.92 -0.41 0.00 0.02 0.00 0.00 61.00 61.57 1ckr s PRO 466 Cb 0.00 -1.95 -0.19 0.00 0.02 0.00 0.00 34.50 32.38 1ckr s PRO 466 CO 0.03 -1.35 1.29 -2.13 -0.33 0.00 0.00 177.00 174.51 1ckr n ARG 467 N -3.30 0.23 -0.36 5.54 0.63 -1.23 -0.91 116.66 117.27 1ckr n ARG 467 Ca 0.08 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1ckr n ARG 467 Cb 0.54 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.84 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 2.45 2.22 0.13 5.14 0.00 -1.04 -4.93 105.19 109.16 1ckr n GLY 468 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 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 1.44 -1.72 1.61 0.31 -0.09 -4.59 118.33 113.29 1ckr n VAL 469 Ca 0.00 -0.54 -0.43 0.00 -0.01 0.00 0.00 64.34 63.36 1ckr n VAL 469 Cb 0.00 -1.42 -0.02 0.00 -0.91 0.00 0.00 33.84 31.50 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 -3.29 2.42 -3.83 5.55 -0.02 -1.26 -4.84 135.00 129.73 1ckr n PRO 470 Ca -0.45 0.86 -0.10 0.00 -2.02 0.00 0.00 63.50 61.79 1ckr n PRO 470 Cb 0.97 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 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 -0.68 1.20 -0.05 -0.52 -2.07 -1.26 -1.78 119.66 114.49 1ckr s GLN 471 Ca 0.64 -0.99 -0.02 0.00 -1.82 0.00 0.00 55.36 53.17 1ckr s GLN 471 Cb -0.55 0.44 0.03 0.00 -1.09 0.00 0.00 33.01 31.83 1ckr s GLN 471 CO 0.51 -0.47 0.10 0.96 -1.32 0.00 0.00 175.29 175.08 1ckr s ILE 472 N -3.90 -0.04 -0.55 3.63 -0.00 0.67 -4.40 121.20 116.59 1ckr s ILE 472 Ca 0.11 0.16 -0.22 0.00 -0.00 0.00 0.00 60.65 60.70 1ckr s ILE 472 Cb 0.02 -0.18 0.05 0.00 -0.00 0.00 0.00 42.46 42.35 1ckr s ILE 472 CO -0.03 0.07 0.83 -0.70 -0.00 0.00 0.00 174.94 175.10 1ckr s GLU 473 N 0.96 3.22 -0.83 0.37 2.12 0.56 -0.47 118.70 124.62 1ckr s GLU 473 Ca -0.08 -0.59 -0.24 0.00 0.36 0.00 0.00 54.97 54.42 1ckr s GLU 473 Cb -0.10 -4.10 0.05 0.00 0.26 0.00 0.00 34.13 30.24 1ckr s GLU 473 CO -0.04 -1.45 1.27 0.08 -0.54 0.00 0.00 175.26 174.58 1ckr s VAL 474 N 3.49 3.97 -0.24 3.70 1.01 -0.29 -0.61 120.40 131.43 1ckr s VAL 474 Ca 0.23 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1ckr s VAL 474 Cb -0.16 -4.91 -0.04 0.00 0.00 0.00 0.00 36.38 31.27 1ckr s VAL 474 CO 0.15 -1.79 0.40 -0.89 0.00 0.00 0.00 175.10 172.96 1ckr s THR 475 N 4.97 5.18 -0.46 3.92 2.01 0.53 -2.52 115.64 129.27 1ckr s THR 475 Ca 0.36 0.66 -0.09 0.00 0.31 0.00 0.00 61.69 62.93 1ckr s THR 475 Cb -0.07 -3.72 0.12 0.00 0.01 0.00 0.00 72.50 68.84 1ckr s THR 475 CO 0.04 0.19 0.32 -0.36 -0.69 0.00 0.00 174.62 174.13 1ckr s PHE 476 N 1.75 3.44 -0.58 4.92 0.40 0.33 -0.25 117.98 127.99 1ckr s PHE 476 Ca 0.17 -1.90 -0.09 0.00 -0.60 0.00 0.00 56.93 54.51 1ckr s PHE 476 Cb -0.15 -3.42 0.15 0.00 0.51 0.00 0.00 43.02 40.10 1ckr s PHE 476 CO 0.09 -0.98 0.46 0.34 0.70 0.00 0.00 175.22 175.83 1ckr s ASP 477 N 2.54 5.85 0.11 1.36 2.15 -0.76 -1.66 116.67 126.26 1ckr s ASP 477 Ca 0.06 -2.27 -0.22 0.00 0.43 0.00 0.00 52.55 50.55 1ckr s ASP 477 Cb -0.26 -2.03 -0.07 0.00 -0.30 0.00 0.00 42.92 40.26 1ckr s ASP 477 CO -0.01 -0.61 0.68 -0.63 -0.17 0.00 0.00 175.17 174.43 1ckr s ILE 478 N 0.83 4.58 0.30 4.11 1.01 -0.01 -1.08 121.20 130.93 1ckr s ILE 478 Ca 0.10 1.47 -0.05 0.00 0.00 0.00 0.00 60.65 62.17 1ckr s ILE 478 Cb -0.22 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1ckr s ILE 478 CO -0.03 0.52 0.57 -1.81 0.00 0.00 0.00 174.94 174.19 1ckr s ASP 479 N -1.01 6.45 0.63 3.58 1.01 0.94 -2.46 116.67 125.81 1ckr s ASP 479 Ca 0.33 0.74 0.29 0.00 0.71 0.00 0.00 52.55 54.61 1ckr s ASP 479 Cb -0.21 -2.15 1.55 0.00 1.01 0.00 0.00 42.92 43.11 1ckr s ASP 479 CO 0.22 -0.21 1.91 0.00 0.21 0.00 0.00 175.17 177.30 1ckr h ALA 480 N 1.64 1.67 -0.88 5.23 0.00 -1.87 -2.24 119.26 122.81 1ckr h ALA 480 Ca -0.48 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 1ckr h ALA 480 Cb 1.19 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.74 1ckr h ALA 480 CO 0.66 -0.48 0.78 0.09 0.00 0.00 0.00 179.25 180.30 1ckr n ASN 481 N -3.23 7.41 -3.94 0.00 3.02 -1.26 -4.82 115.26 112.44 1ckr n ASN 481 Ca 0.02 -3.62 -0.27 0.00 -0.03 0.00 0.00 54.58 50.68 1ckr n ASN 481 Cb 0.49 -1.01 -0.00 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.59 -0.31 3.32 7.41 0.00 -0.86 -4.73 105.19 109.44 1ckr n GLY 482 Ca 0.55 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.69 3.70 -0.40 -0.61 1.01 -1.09 -4.33 121.20 115.79 1ckr s ILE 483 Ca 0.23 -0.66 -0.23 0.00 0.00 0.00 0.00 60.65 59.99 1ckr s ILE 483 Cb -0.12 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.52 1ckr s ILE 483 CO 0.87 0.19 0.78 -0.22 0.00 0.00 0.00 174.94 176.57 1ckr s LEU 484 N 1.48 4.17 -1.00 2.97 0.20 -0.86 -0.04 118.68 125.60 1ckr s LEU 484 Ca 0.03 0.16 -0.17 0.00 0.69 0.00 0.00 54.13 54.84 1ckr s LEU 484 Cb -0.16 -3.00 0.14 0.00 -0.43 0.00 0.00 46.19 42.74 1ckr s LEU 484 CO 0.00 -0.81 1.20 0.20 -0.29 0.00 0.00 176.35 176.65 1ckr s ASN 485 N 1.97 6.75 -0.41 3.68 0.01 -0.24 -0.65 114.94 126.04 1ckr s ASN 485 Ca 0.31 -2.30 -0.22 0.00 -0.71 0.00 0.00 52.86 49.93 1ckr s ASN 485 Cb -0.13 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 39.15 1ckr s ASN 485 CO 0.19 -0.97 0.72 -0.69 -1.51 0.00 0.00 177.10 174.84 1ckr s VAL 486 N 2.34 4.76 0.17 1.60 1.01 0.12 -1.84 120.40 128.57 1ckr s VAL 486 Ca 0.35 0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.88 1ckr s VAL 486 Cb -0.04 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1ckr s VAL 486 CO -0.07 -0.54 0.09 -0.55 0.00 0.00 0.00 175.10 174.03 1ckr s SER 487 N 1.97 5.27 -0.10 3.32 0.15 0.65 -1.63 113.70 123.34 1ckr s SER 487 Ca 0.27 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 1ckr s SER 487 Cb -0.13 -1.30 0.03 0.00 -1.71 0.00 0.00 66.02 62.91 1ckr s SER 487 CO 0.19 0.07 -0.03 0.00 1.20 0.00 0.00 173.24 174.67 1ckr s ALA 488 N -1.77 1.01 -0.19 5.45 0.00 -0.77 -0.34 121.76 125.16 1ckr s ALA 488 Ca 0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 1ckr s ALA 488 Cb -0.10 -0.85 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 1ckr s ALA 488 CO 0.22 -0.49 -0.07 0.08 0.00 0.00 0.00 175.76 175.50 1ckr s VAL 489 N 1.84 3.29 -1.16 0.00 1.01 0.22 -2.44 120.40 123.16 1ckr s VAL 489 Ca 0.05 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 1ckr s VAL 489 Cb -0.13 -2.46 0.09 0.00 0.00 0.00 0.00 36.38 33.89 1ckr s VAL 489 CO -0.07 0.46 1.53 -1.81 0.00 0.00 0.00 175.10 175.21 1ckr s ASP 490 N 1.03 6.77 0.40 3.32 1.01 0.64 -0.32 116.67 129.52 1ckr s ASP 490 Ca 0.00 -2.25 0.09 0.00 0.71 0.00 0.00 52.55 51.10 1ckr s ASP 490 Cb -0.15 -2.52 0.85 0.00 1.01 0.00 0.00 42.92 42.11 1ckr s ASP 490 CO -0.01 -1.16 1.98 0.50 0.21 0.00 0.00 175.17 176.69 1ckr h LYS 491 N 8.23 0.33 -0.60 8.23 3.64 -1.83 -0.45 116.57 134.12 1ckr h LYS 491 Ca 0.32 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1ckr h LYS 491 Cb 0.93 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1ckr h LYS 491 CO 1.36 0.34 0.39 1.03 -2.27 0.00 0.00 179.45 180.31 1ckr h SER 492 N 0.32 0.70 0.45 4.20 0.87 -1.89 -1.88 113.55 116.32 1ckr h SER 492 Ca 0.08 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1ckr h SER 492 Cb 0.20 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1ckr h SER 492 CO 0.00 0.52 0.00 1.07 -0.53 0.00 0.00 176.83 177.89 1ckr n THR 493 N -4.65 0.07 -3.77 2.23 5.66 -1.01 -4.99 114.28 107.81 1ckr n THR 493 Ca 0.04 0.02 -0.33 0.00 -3.05 0.00 0.00 64.05 60.73 1ckr n THR 493 Cb 0.03 -0.55 0.03 0.00 -1.55 0.00 0.00 70.33 68.29 1ckr n THR 493 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ckr n GLY 494 N 1.07 -0.85 2.76 1.09 0.00 -0.21 -5.02 105.19 104.03 1ckr n GLY 494 Ca 0.15 0.39 -0.18 0.00 0.00 0.00 0.00 46.02 46.38 1ckr n GLY 494 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckr s LYS 495 N -6.25 0.17 0.16 1.61 0.00 -0.99 -4.98 119.74 109.46 1ckr s LYS 495 Ca 0.40 0.18 0.06 0.00 0.00 0.00 0.00 55.97 56.61 1ckr s LYS 495 Cb -0.16 -0.50 -0.04 0.00 0.00 0.00 0.00 37.83 37.13 1ckr s LYS 495 CO 0.88 -0.21 -0.13 -1.83 0.00 0.00 0.00 175.35 174.06 1ckr s GLU 496 N 1.44 1.13 -0.02 1.78 -1.05 -1.26 -0.26 118.70 120.46 1ckr s GLU 496 Ca -0.04 -1.42 0.01 0.00 -0.15 0.00 0.00 54.97 53.38 1ckr s GLU 496 Cb -0.13 -0.87 0.01 0.00 -0.44 0.00 0.00 34.13 32.70 1ckr s GLU 496 CO -0.03 0.14 -0.05 1.21 0.95 0.00 0.00 175.26 177.49 1ckr s ASN 497 N -2.96 0.76 0.02 0.83 2.47 -1.02 -4.98 114.94 110.06 1ckr s ASN 497 Ca 0.16 -0.11 0.01 0.00 0.42 0.00 0.00 52.86 53.34 1ckr s ASN 497 Cb -0.01 -0.22 -0.02 0.00 -1.45 0.00 0.00 41.25 39.55 1ckr s ASN 497 CO 0.03 0.02 -0.05 -1.59 -3.72 0.00 0.00 177.10 171.79 1ckr s LYS 498 N 0.32 0.40 -0.10 0.43 -2.85 -1.26 -1.84 119.74 114.83 1ckr s LYS 498 Ca -0.04 -0.51 0.03 0.00 -1.00 0.00 0.00 55.97 54.46 1ckr s LYS 498 Cb -0.08 -0.20 -0.00 0.00 -2.06 0.00 0.00 37.83 35.49 1ckr s LYS 498 CO -0.00 0.04 -0.22 -1.50 0.10 0.00 0.00 175.35 173.77 1ckr s ILE 499 N -0.96 2.26 -0.44 3.79 2.07 -0.64 -4.95 121.20 122.33 1ckr s ILE 499 Ca -0.07 -0.95 -0.15 0.00 -1.41 0.00 0.00 60.65 58.06 1ckr s ILE 499 Cb -0.07 -1.88 0.05 0.00 0.13 0.00 0.00 42.46 40.69 1ckr s ILE 499 CO -0.00 0.55 0.34 -0.89 -1.91 0.00 0.00 174.94 173.04 1ckr s THR 500 N 0.27 5.20 -0.37 4.00 2.01 -1.26 -0.70 115.64 124.79 1ckr s THR 500 Ca -0.15 -0.89 -0.19 0.00 0.31 0.00 0.00 61.69 60.77 1ckr s THR 500 Cb -0.17 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1ckr s THR 500 CO 0.08 -0.45 0.57 -0.63 -0.69 0.00 0.00 174.62 173.50 1ckr s ILE 501 N 1.65 4.95 -0.10 1.82 1.01 0.17 -4.94 121.20 125.77 1ckr s ILE 501 Ca 0.04 0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.80 1ckr s ILE 501 Cb -0.22 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1ckr s ILE 501 CO 0.08 -0.31 0.80 0.42 0.00 0.00 0.00 174.94 175.93 1ckr s THR 502 N 2.55 4.95 -1.12 2.92 -4.23 -1.26 -2.03 115.64 117.42 1ckr s THR 502 Ca 0.21 1.61 -0.17 0.00 -1.18 0.00 0.00 61.69 62.16 1ckr s THR 502 Cb -0.15 -4.12 0.13 0.00 1.34 0.00 0.00 72.50 69.70 1ckr s THR 502 CO 0.15 0.15 1.40 0.21 -0.54 0.00 0.00 174.62 175.98 1ckr s ASN 503 N 0.98 6.84 -0.01 3.99 3.84 -1.26 -4.62 114.94 124.70 1ckr s ASN 503 Ca 0.40 -2.46 0.00 0.00 0.21 0.00 0.00 52.86 51.02 1ckr s ASN 503 Cb -0.18 -2.45 -0.01 0.00 -0.55 0.00 0.00 41.25 38.07 1ckr s ASN 503 CO 0.17 -0.99 -0.00 0.47 -2.79 0.00 0.00 177.10 173.96 1ckr n ASP 504 N 6.72 4.22 -4.29 -4.21 8.00 -1.26 -5.03 116.55 120.70 1ckr n ASP 504 Ca 0.35 -0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.52 1ckr n ASP 504 Cb 0.46 0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 41.57 1ckr n ASP 504 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ckr s LYS 505 N -2.02 3.23 0.00 -1.24 1.02 -1.26 -4.79 119.74 114.68 1ckr s LYS 505 Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.21 1ckr s LYS 505 Cb 0.00 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1ckr s LYS 505 CO 0.03 0.18 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 1ckr n GLY 506 N 3.59 2.64 3.74 -3.33 0.00 -1.26 -4.99 105.19 105.58 1ckr n GLY 506 Ca -0.19 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 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 -4.62 -0.34 1.61 3.00 -1.26 -4.96 116.66 110.08 1ckr n ARG 506 Ca 0.00 0.58 -0.04 0.00 -0.01 0.00 0.00 57.85 58.38 1ckr n ARG 506 Cb 0.00 -5.06 0.01 0.00 0.00 0.00 0.00 32.46 27.41 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 -1.86 -1.51 0.00 0.55 -0.00 -2.02 -3.47 115.31 107.00 1ckr h LEU 507 Ca -0.61 0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 1ckr h LEU 507 Cb 1.36 0.75 0.00 0.00 -0.00 0.00 0.00 40.66 42.78 1ckr h LEU 507 CO 0.57 -0.29 0.00 -0.24 -0.00 0.00 0.00 178.44 178.49 1ckr n SER 508 N -5.43 0.00 -0.30 0.17 2.88 -1.26 -2.73 113.62 106.95 1ckr n SER 508 Ca 0.07 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.72 1ckr n SER 508 Cb 0.37 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.51 0.17 -1.46 -0.00 -1.99 -2.77 116.57 111.03 1ckr h LYS 509 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.61 1ckr h LYS 509 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 32.23 32.12 1ckr h LYS 509 CO 0.00 0.34 -0.08 1.05 -0.00 0.00 0.00 179.45 180.76 1ckr h GLU 510 N 0.53 -0.22 -0.24 0.07 4.11 -1.93 -2.81 114.58 114.10 1ckr h GLU 510 Ca 0.52 0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.93 1ckr h GLU 510 Cb 0.87 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1ckr h GLU 510 CO -0.44 0.15 0.03 -0.44 0.07 0.00 0.00 179.01 178.38 1ckr h ASP 511 N -0.95 0.39 0.07 3.06 3.32 -1.62 -2.88 116.42 117.80 1ckr h ASP 511 Ca -0.02 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1ckr h ASP 511 Cb 0.47 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1ckr h ASP 511 CO 0.04 0.57 -0.03 0.40 -1.72 0.00 0.00 179.24 178.49 1ckr h ILE 512 N 0.19 1.09 -0.76 0.35 5.03 -1.66 -0.38 117.51 121.37 1ckr h ILE 512 Ca 0.07 -0.53 0.14 0.00 -0.12 0.00 0.00 64.86 64.42 1ckr h ILE 512 Cb 0.35 1.44 -0.10 0.00 -3.03 0.00 0.00 36.82 35.48 1ckr h ILE 512 CO 0.01 0.13 0.29 -0.08 -0.68 0.00 0.00 178.15 177.82 1ckr h GLU 513 N -0.33 0.42 -0.00 2.37 4.57 -1.60 -2.36 114.58 117.65 1ckr h GLU 513 Ca -0.01 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ckr h GLU 513 Cb 0.29 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1ckr h GLU 513 CO 0.02 0.28 -0.01 0.07 -1.18 0.00 0.00 179.01 178.19 1ckr h ARG 514 N 0.43 0.01 0.01 1.92 0.11 -1.49 -3.38 114.38 111.99 1ckr h ARG 514 Ca 0.42 -0.01 -0.14 0.00 0.10 0.00 0.00 59.98 60.35 1ckr h ARG 514 Cb 0.64 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.70 1ckr h ARG 514 CO -0.41 0.57 -0.77 0.52 0.10 0.00 0.00 179.97 179.97 1ckr h MET 515 N -0.55 0.03 0.00 0.08 2.86 -1.03 -3.40 114.93 112.93 1ckr h MET 515 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ckr h MET 515 Cb 0.57 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1ckr h MET 515 CO 0.00 1.02 -0.11 -0.24 1.06 0.00 0.00 176.91 178.65 1ckr h VAL 516 N -0.92 0.00 -0.23 -2.22 3.04 -1.60 0.11 116.25 114.43 1ckr h VAL 516 Ca -0.20 -0.56 -0.18 0.00 -1.01 0.00 0.00 66.70 64.75 1ckr h VAL 516 Cb 1.24 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 1ckr h VAL 516 CO -0.09 0.00 -0.56 1.56 -1.01 0.00 0.00 177.57 177.47 1ckr h GLN 517 N 0.00 0.78 0.00 4.17 4.20 -1.75 -3.13 115.11 119.38 1ckr h GLN 517 Ca 0.00 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1ckr h GLN 517 Cb 0.78 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1ckr h GLN 517 CO 0.00 1.16 -0.21 -0.85 -0.67 0.00 0.00 178.83 178.26 1ckr n GLU 518 N -4.07 0.13 0.00 1.46 0.28 -1.22 -4.27 120.64 112.95 1ckr n GLU 518 Ca -0.06 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1ckr n GLU 518 Cb 0.63 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.88 1ckr n GLU 518 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ckr n ALA 519 N -1.64 0.02 -0.37 -1.84 0.00 0.37 -4.04 120.51 113.00 1ckr n ALA 519 Ca 0.06 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.80 1ckr n ALA 519 Cb 0.38 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.40 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 0.18 0.00 0.00 -0.00 -1.81 0.34 114.58 113.29 1ckr h GLU 520 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1ckr h GLU 520 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 28.71 1ckr h GLU 520 CO 0.00 0.12 0.00 1.17 -0.00 0.00 0.00 179.01 180.30 1ckr n LYS 521 N -4.93 0.00 0.00 1.06 0.00 -1.25 -2.65 118.16 110.39 1ckr n LYS 521 Ca 0.34 0.15 0.05 0.00 0.00 0.00 0.00 58.31 58.85 1ckr n LYS 521 Cb 1.20 -1.05 0.27 0.00 0.00 0.00 0.00 35.03 35.45 1ckr n LYS 521 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1ckr n TYR 522 N -0.75 0.00 -0.08 5.64 4.19 -0.31 -2.45 117.16 123.40 1ckr n TYR 522 Ca 0.00 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.12 1ckr n TYR 522 Cb 0.00 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 39.80 1ckr n TYR 522 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 1ckr n LYS 523 N -0.75 0.47 0.28 2.98 4.81 0.11 -0.84 118.16 125.21 1ckr n LYS 523 Ca 0.07 0.19 0.12 0.00 -0.87 0.00 0.00 58.31 57.82 1ckr n LYS 523 Cb 0.03 -1.32 0.79 0.00 0.02 0.00 0.00 35.03 34.54 1ckr n LYS 523 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ckr h ALA 524 N -0.88 1.56 0.00 3.14 0.00 -1.60 -1.53 119.26 119.96 1ckr h ALA 524 Ca -0.04 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1ckr h ALA 524 Cb 0.93 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1ckr h ALA 524 CO -0.03 0.06 -0.91 1.49 0.00 0.00 0.00 179.25 179.86 1ckr h GLU 525 N 0.00 0.01 -0.69 0.00 4.81 -1.67 -2.94 114.58 114.10 1ckr h GLU 525 Ca -0.00 -0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.42 1ckr h GLU 525 Cb 0.11 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1ckr h GLU 525 CO 0.01 0.92 0.57 0.22 -0.73 0.00 0.00 179.01 180.00 1ckr h ASP 526 N 0.00 0.00 -0.21 1.04 1.82 0.06 -3.46 116.42 115.67 1ckr h ASP 526 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1ckr h ASP 526 Cb 1.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.62 1ckr h ASP 526 CO 0.12 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.13 1ckr n GLU 527 N -4.02 0.00 -3.62 0.28 1.02 -1.09 -4.44 120.64 108.77 1ckr n GLU 527 Ca 0.14 0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 57.02 1ckr n GLU 527 Cb 0.83 -0.11 0.05 0.00 -0.02 0.00 0.00 31.44 32.19 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 -0.08 -1.70 0.00 3.49 4.01 -1.17 -4.82 118.16 117.89 1ckr n LYS 528 Ca 0.00 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.33 1ckr n LYS 528 Cb 0.04 -4.48 0.00 0.00 -0.51 0.00 0.00 35.03 30.08 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 -4.05 0.00 -0.68 1.97 0.00 -1.04 -0.44 117.38 113.14 1ckr n GLN 529 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 57.00 56.97 1ckr n GLN 529 Cb 0.60 0.00 0.34 0.00 0.00 0.00 0.00 30.24 31.18 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 -0.01 4.00 0.01 2.61 5.12 -1.26 -4.59 116.66 122.53 1ckr n ARG 530 Ca 0.00 -2.99 -0.09 0.00 -1.93 0.00 0.00 57.85 52.84 1ckr n ARG 530 Cb 0.00 -2.05 -0.07 0.00 -1.16 0.00 0.00 32.46 29.18 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 3.11 -0.12 -0.85 0.55 3.58 -1.00 -3.40 116.42 118.30 1ckr h ASP 531 Ca 0.00 -0.39 -0.45 0.00 0.42 0.00 0.00 57.03 56.60 1ckr h ASP 531 Cb 1.70 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 42.71 1ckr h ASP 531 CO 0.35 0.52 1.21 -1.59 -2.88 0.00 0.00 179.24 176.85 1ckr s LYS 532 N -2.72 3.08 0.00 0.28 0.00 -1.20 -4.13 119.74 115.05 1ckr s LYS 532 Ca -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 55.97 54.99 1ckr s LYS 532 Cb -0.00 -5.24 0.00 0.00 0.00 0.00 0.00 37.83 32.58 1ckr s LYS 532 CO 0.40 -2.89 0.00 1.55 0.00 0.00 0.00 175.35 174.41 1ckr n VAL 533 N 7.35 0.00 0.31 1.79 3.14 -0.77 -5.03 118.33 125.12 1ckr n VAL 533 Ca 0.39 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.65 1ckr n VAL 533 Cb 0.48 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.21 1ckr n VAL 533 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1ckr h SER 534 N 0.00 -0.67 -2.71 6.55 0.02 -1.88 -3.42 113.55 111.44 1ckr h SER 534 Ca 0.00 0.02 -0.52 0.00 -0.84 0.00 0.00 61.79 60.45 1ckr h SER 534 Cb 0.00 0.17 -0.39 0.00 0.14 0.00 0.00 62.40 62.32 1ckr h SER 534 CO 0.00 -0.47 -0.78 -0.55 -1.14 0.00 0.00 176.83 173.90 1ckr s SER 535 N -3.28 3.33 1.68 3.07 0.15 -1.26 -5.05 113.70 112.33 1ckr s SER 535 Ca -0.12 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.18 1ckr s SER 535 Cb 0.01 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1ckr s SER 535 CO 0.35 -0.42 0.00 1.17 1.20 0.00 0.00 173.24 175.54 1ckr n LYS 536 N 5.11 0.00 -3.47 5.44 0.00 -1.26 -3.45 118.16 120.54 1ckr n LYS 536 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 57.99 1ckr n LYS 536 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.37 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 9.59 3.89 -4.21 3.14 3.02 -1.26 -1.85 115.26 127.58 1ckr n ASN 537 Ca 0.00 -3.40 -0.32 0.00 -0.03 0.00 0.00 54.58 50.83 1ckr n ASN 537 Cb 0.00 -0.74 -0.17 0.00 -0.61 0.00 0.00 39.78 38.26 1ckr n ASN 537 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1ckr s SER 538 N -2.21 3.10 -0.22 6.41 1.04 -1.22 0.06 113.70 120.66 1ckr s SER 538 Ca 0.37 -0.57 0.06 0.00 0.48 0.00 0.00 55.95 56.29 1ckr s SER 538 Cb 0.11 -1.42 0.49 0.00 0.10 0.00 0.00 66.02 65.30 1ckr s SER 538 CO -0.03 0.14 1.44 0.00 0.98 0.00 0.00 173.24 175.77 1ckr n LEU 539 N 3.65 4.70 0.00 2.42 -0.00 -1.26 -4.37 117.00 122.14 1ckr n LEU 539 Ca -0.19 -2.43 0.00 0.00 -0.00 0.00 0.00 56.01 53.39 1ckr n LEU 539 Cb 0.53 -0.67 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 1ckr n LEU 539 CO 0.28 0.66 0.24 -0.62 -0.00 0.00 0.00 177.39 177.95