#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckr h GLU 384 N 0.00 0.09 -7.25 1.43 9.09 -2.13 -3.44 114.58 112.37 1ckr h GLU 384 Ca 0.00 -0.01 -0.49 0.00 0.05 0.00 0.00 59.36 58.91 1ckr h GLU 384 Cb 0.00 -0.02 0.05 0.00 -1.65 0.00 0.00 28.75 27.13 1ckr h GLU 384 CO 0.00 0.06 0.38 -0.80 0.05 0.00 0.00 179.01 178.70 1ckr s ASN 385 N -5.20 6.11 -0.93 3.06 0.01 -1.26 -5.00 114.94 111.73 1ckr s ASN 385 Ca -0.14 1.62 -0.24 0.00 -0.71 0.00 0.00 52.86 53.40 1ckr s ASN 385 Cb 0.22 -2.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.37 1ckr s ASN 385 CO 0.75 -0.94 1.71 0.68 -1.51 0.00 0.00 177.10 177.78 1ckr s VAL 386 N -2.74 3.66 -1.14 1.60 -7.23 -1.26 -4.93 120.40 108.36 1ckr s VAL 386 Ca 0.59 -0.48 -0.08 0.00 -1.81 0.00 0.00 61.98 60.20 1ckr s VAL 386 Cb -0.13 -4.49 0.26 0.00 0.56 0.00 0.00 36.38 32.59 1ckr s VAL 386 CO 0.41 -1.40 1.40 0.00 -0.31 0.00 0.00 175.10 175.20 1ckr n GLN 387 N 8.90 3.89 -2.67 4.82 6.02 -1.26 -4.98 117.38 132.11 1ckr n GLN 387 Ca 0.35 -4.29 -0.43 0.00 -0.01 0.00 0.00 57.00 52.62 1ckr n GLN 387 Cb 0.49 -2.65 0.00 0.00 1.02 0.00 0.00 30.24 29.10 1ckr n GLN 387 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1ckr n ASP 388 N 2.72 5.00 -3.91 1.08 8.00 -1.26 -4.92 116.55 123.27 1ckr n ASP 388 Ca 0.29 -2.94 -0.42 0.00 0.71 0.00 0.00 54.79 52.43 1ckr n ASP 388 Cb 0.37 -1.70 0.00 0.00 -0.02 0.00 0.00 41.12 39.77 1ckr n ASP 388 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ckr n LEU 389 N 7.57 6.52 -0.07 0.64 4.77 -1.26 -4.71 117.00 130.46 1ckr n LEU 389 Ca 0.46 -4.39 -0.09 0.00 -0.03 0.00 0.00 56.01 51.96 1ckr n LEU 389 Cb 0.45 -1.58 -0.15 0.00 -2.33 0.00 0.00 43.42 39.81 1ckr n LEU 389 CO 0.73 1.14 -0.90 0.00 -1.33 0.00 0.00 177.39 177.04 1ckr n LEU 390 N 5.16 0.34 -4.35 2.23 -0.00 -1.26 -4.73 117.00 114.40 1ckr n LEU 390 Ca 0.45 0.16 -0.43 0.00 -0.00 0.00 0.00 56.01 56.19 1ckr n LEU 390 Cb 0.38 0.36 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 1ckr n LEU 390 CO 0.83 0.44 1.88 0.18 -0.00 0.00 0.00 177.39 180.72 1ckr n LEU 391 N -2.86 5.48 -3.66 1.47 4.77 -1.26 -4.91 117.00 116.02 1ckr n LEU 391 Ca -0.26 -4.21 -0.10 0.00 -0.03 0.00 0.00 56.01 51.41 1ckr n LEU 391 Cb 1.11 -1.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.45 1ckr n LEU 391 CO 0.44 0.61 0.25 -1.48 -1.33 0.00 0.00 177.39 175.87 1ckr s LEU 392 N 2.58 -0.52 -1.22 2.23 0.05 -1.26 -5.10 118.68 115.44 1ckr s LEU 392 Ca 0.48 1.25 -0.15 0.00 0.05 0.00 0.00 54.13 55.76 1ckr s LEU 392 Cb 0.04 2.00 0.14 0.00 -2.05 0.00 0.00 46.19 46.32 1ckr s LEU 392 CO 0.02 -0.22 1.50 -1.81 -0.55 0.00 0.00 176.35 175.29 1ckr s ASP 393 N 1.21 7.00 -0.06 1.48 1.01 -1.26 -5.01 116.67 121.03 1ckr s ASP 393 Ca -0.07 -2.82 -0.03 0.00 0.71 0.00 0.00 52.55 50.34 1ckr s ASP 393 Cb -0.06 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1ckr s ASP 393 CO -0.12 -0.87 0.11 0.68 0.21 0.00 0.00 175.17 175.18 1ckr s VAL 394 N 2.29 5.09 -0.03 -1.27 -7.23 -1.26 -1.43 120.40 116.56 1ckr s VAL 394 Ca 0.45 -0.11 -0.17 0.00 -1.81 0.00 0.00 61.98 60.34 1ckr s VAL 394 Cb -0.01 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.60 1ckr s VAL 394 CO 0.02 0.48 0.46 0.28 -0.31 0.00 0.00 175.10 176.03 1ckr s THR 395 N -1.11 5.04 0.53 5.32 -1.32 -0.74 -4.86 115.64 118.50 1ckr s THR 395 Ca 0.19 0.95 0.19 0.00 -1.21 0.00 0.00 61.69 61.81 1ckr s THR 395 Cb -0.12 -3.79 0.29 0.00 -1.51 0.00 0.00 72.50 67.37 1ckr s THR 395 CO 0.10 0.47 2.17 1.55 -2.21 0.00 0.00 174.62 176.70 1ckr h PRO 396 N 5.49 0.00 -6.09 7.08 0.13 -1.94 -2.58 132.00 134.09 1ckr h PRO 396 Ca -0.47 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 1ckr h PRO 396 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1ckr h PRO 396 CO 0.67 0.01 -0.53 -1.17 -0.23 0.00 0.00 178.00 176.75 1ckr s LEU 397 N -8.76 3.28 -0.37 1.56 2.96 -1.26 -2.39 118.68 113.68 1ckr s LEU 397 Ca -0.05 -0.77 -0.18 0.00 -0.22 0.00 0.00 54.13 52.91 1ckr s LEU 397 Cb 0.17 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 45.10 1ckr s LEU 397 CO 0.64 -0.32 0.51 -0.94 -1.32 0.00 0.00 176.35 174.93 1ckr s SER 398 N -3.86 6.29 -0.22 3.68 1.04 -1.22 -4.45 113.70 114.96 1ckr s SER 398 Ca 0.38 -0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.47 1ckr s SER 398 Cb -0.02 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 1ckr s SER 398 CO 0.23 -0.53 0.32 -0.76 0.98 0.00 0.00 173.24 173.48 1ckr s LEU 399 N 2.39 4.13 0.00 2.42 1.43 -1.26 -2.87 118.68 124.91 1ckr s LEU 399 Ca 0.18 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1ckr s LEU 399 Cb -0.16 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1ckr s LEU 399 CO 0.14 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1ckr n GLY 400 N 4.15 5.54 3.04 -3.19 0.00 -1.08 -4.42 105.19 109.22 1ckr n GLY 400 Ca -0.10 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 1.42 0.06 -0.29 -0.61 -4.36 -1.09 -2.26 121.20 114.07 1ckr s ILE 401 Ca 0.00 -0.48 -0.22 0.00 -0.26 0.00 0.00 60.65 59.70 1ckr s ILE 401 Cb 0.00 -0.30 -0.01 0.00 1.25 0.00 0.00 42.46 43.40 1ckr s ILE 401 CO 0.00 -0.26 0.69 -0.70 0.24 0.00 0.00 174.94 174.91 1ckr s GLU 402 N -0.86 4.00 0.00 0.37 2.12 0.74 -2.55 118.70 122.52 1ckr s GLU 402 Ca -0.09 0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.74 1ckr s GLU 402 Cb -0.06 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.64 1ckr s GLU 402 CO 0.01 -0.55 0.00 0.25 -0.54 0.00 0.00 175.26 174.42 1ckr n THR 403 N 5.36 0.00 -0.01 -1.70 -2.24 -0.53 -3.05 114.28 112.11 1ckr n THR 403 Ca 0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1ckr n THR 403 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.33 -0.28 -1.04 6.98 0.00 -1.77 -2.20 119.26 121.28 1ckr h ALA 404 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 1ckr h ALA 404 Cb 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 17.79 18.28 1ckr h ALA 404 CO 0.00 -0.31 0.77 0.41 0.00 0.00 0.00 179.25 180.12 1ckr n GLY 405 N -1.03 5.70 2.47 0.00 0.00 -1.26 -4.49 105.19 106.58 1ckr n GLY 405 Ca -0.00 -2.47 -0.19 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.64 0.95 3.96 -0.02 0.00 -0.83 -4.90 105.19 103.70 1ckr n GLY 406 Ca 0.55 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.78 5.24 -0.01 1.61 -7.23 -1.24 -4.12 120.40 111.87 1ckr s VAL 407 Ca 0.00 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 1ckr s VAL 407 Cb 0.00 -3.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.09 1ckr s VAL 407 CO 0.00 -0.30 0.97 -0.32 -0.31 0.00 0.00 175.10 175.14 1ckr s MET 408 N -3.82 4.55 -0.12 4.82 1.75 -1.22 -1.45 119.30 123.82 1ckr s MET 408 Ca 0.36 1.41 0.02 0.00 -1.25 0.00 0.00 55.69 56.22 1ckr s MET 408 Cb -0.10 -3.46 0.01 0.00 2.84 0.00 0.00 34.83 34.12 1ckr s MET 408 CO 0.30 -0.06 -0.19 0.99 -0.65 0.00 0.00 175.02 175.41 1ckr s THR 409 N 1.06 1.78 -0.22 10.11 2.01 -1.06 -4.13 115.64 125.18 1ckr s THR 409 Ca 0.51 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1ckr s THR 409 Cb -0.21 -1.58 0.06 0.00 0.01 0.00 0.00 72.50 70.77 1ckr s THR 409 CO 0.27 0.50 -0.05 0.54 -0.69 0.00 0.00 174.62 175.19 1ckr s VAL 410 N 0.80 1.42 -0.52 3.82 0.11 -1.26 -2.68 120.40 122.09 1ckr s VAL 410 Ca -0.09 -1.08 0.24 0.00 -2.93 0.00 0.00 61.98 58.12 1ckr s VAL 410 Cb -0.16 -1.67 0.15 0.00 -1.53 0.00 0.00 36.38 33.18 1ckr s VAL 410 CO 0.00 -0.05 1.42 0.17 -3.33 0.00 0.00 175.10 173.31 1ckr h LEU 411 N 8.00 0.00 0.00 2.54 8.10 -1.99 -3.46 115.31 128.49 1ckr h LEU 411 Ca -0.20 -0.07 0.00 0.00 0.11 0.00 0.00 57.88 57.72 1ckr h LEU 411 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 1ckr h LEU 411 CO 0.41 0.03 0.00 -0.38 -4.11 0.00 0.00 178.44 174.40 1ckr n ILE 412 N -2.51 0.00 -3.61 0.15 2.08 -1.26 -4.97 119.36 109.23 1ckr n ILE 412 Ca 0.03 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.24 1ckr n ILE 412 Cb 0.48 -1.53 -0.02 0.00 -0.75 0.00 0.00 39.64 37.83 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 1.00 1.50 0.26 0.38 0.00 -1.26 -4.94 119.74 116.67 1ckr s LYS 413 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 55.97 54.98 1ckr s LYS 413 Cb 0.00 0.60 -0.09 0.00 0.00 0.00 0.00 37.83 38.33 1ckr s LYS 413 CO 0.00 -0.67 0.99 -0.98 0.00 0.00 0.00 175.35 174.69 1ckr s ARG 414 N -3.82 4.76 -1.23 1.78 1.70 -1.26 -3.37 118.95 117.51 1ckr s ARG 414 Ca 0.05 1.57 -0.03 0.00 -0.47 0.00 0.00 55.73 56.85 1ckr s ARG 414 Cb -0.03 -3.20 -0.01 0.00 -0.57 0.00 0.00 34.95 31.14 1ckr s ARG 414 CO -0.04 0.39 0.81 0.09 -1.08 0.00 0.00 175.30 175.47 1ckr n ASN 415 N 1.29 -2.62 -4.70 -2.89 3.02 -1.01 -4.95 115.26 103.40 1ckr n ASN 415 Ca -0.01 -0.78 -0.40 0.00 -0.03 0.00 0.00 54.58 53.35 1ckr n ASN 415 Cb 0.47 -4.38 -0.05 0.00 -0.61 0.00 0.00 39.78 35.21 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 5.00 -0.81 3.41 -1.32 -1.00 -4.81 115.64 112.57 1ckr s THR 416 Ca 0.12 1.49 -0.25 0.00 -1.21 0.00 0.00 61.69 61.84 1ckr s THR 416 Cb -0.03 -4.07 -0.04 0.00 -1.51 0.00 0.00 72.50 66.85 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 1.17 3.41 0.24 5.08 2.01 -1.26 -1.78 115.64 124.51 1ckr s THR 417 Ca 0.38 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 1ckr s THR 417 Cb -0.17 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.31 1ckr s THR 417 CO 0.17 -0.90 0.59 0.27 -0.69 0.00 0.00 174.62 174.06 1ckr s ILE 418 N 9.94 4.86 0.57 1.82 -4.36 -0.51 -4.45 121.20 129.08 1ckr s ILE 418 Ca 0.70 0.62 -0.19 0.00 -0.26 0.00 0.00 60.65 61.51 1ckr s ILE 418 Cb -0.09 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 39.95 1ckr s ILE 418 CO 0.06 -0.07 1.19 -2.16 0.24 0.00 0.00 174.94 174.20 1ckr s PRO 419 N -2.78 3.11 -0.22 0.37 0.04 -1.26 -4.65 135.00 129.61 1ckr s PRO 419 Ca 0.48 1.79 -0.14 0.00 0.04 0.00 0.00 61.00 63.18 1ckr s PRO 419 Cb -0.11 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.51 1ckr s PRO 419 CO 0.20 -1.09 0.55 -0.08 0.04 0.00 0.00 177.00 176.63 1ckr s THR 420 N -1.62 -0.01 -0.40 1.26 -1.32 -1.02 -4.94 115.64 107.59 1ckr s THR 420 Ca 0.75 0.04 -0.09 0.00 -1.21 0.00 0.00 61.69 61.19 1ckr s THR 420 Cb -0.29 -0.81 0.07 0.00 -1.51 0.00 0.00 72.50 69.96 1ckr s THR 420 CO 0.32 0.02 0.23 -0.75 -2.21 0.00 0.00 174.62 172.23 1ckr s LYS 421 N 1.37 2.62 -0.09 7.08 2.20 -1.25 -0.75 119.74 130.92 1ckr s LYS 421 Ca -0.09 -1.38 0.01 0.00 -0.36 0.00 0.00 55.97 54.15 1ckr s LYS 421 Cb -0.06 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 1ckr s LYS 421 CO -0.14 -0.88 -0.09 -0.65 -0.36 0.00 0.00 175.35 173.22 1ckr s GLN 422 N 1.43 2.97 -0.39 4.03 1.11 -0.54 -4.96 119.66 123.31 1ckr s GLN 422 Ca 0.02 -0.61 -0.01 0.00 0.01 0.00 0.00 55.36 54.78 1ckr s GLN 422 Cb -0.22 -2.60 0.11 0.00 -1.01 0.00 0.00 33.01 29.29 1ckr s GLN 422 CO 0.03 0.49 0.17 0.95 0.01 0.00 0.00 175.29 176.94 1ckr s THR 423 N -0.36 3.02 -0.40 -0.19 -4.23 -1.26 -0.65 115.64 111.57 1ckr s THR 423 Ca 0.05 -2.16 -0.14 0.00 -1.18 0.00 0.00 61.69 58.26 1ckr s THR 423 Cb -0.12 -3.11 0.03 0.00 1.34 0.00 0.00 72.50 70.64 1ckr s THR 423 CO 0.02 -0.67 0.27 -1.58 -0.54 0.00 0.00 174.62 172.13 1ckr s GLN 424 N 1.05 2.91 -0.28 3.99 2.00 -1.01 -4.96 119.66 123.35 1ckr s GLN 424 Ca 0.09 -1.07 -0.24 0.00 -2.00 0.00 0.00 55.36 52.13 1ckr s GLN 424 Cb -0.22 -3.90 -0.00 0.00 0.80 0.00 0.00 33.01 29.69 1ckr s GLN 424 CO -0.05 -0.76 0.82 0.99 -0.50 0.00 0.00 175.29 175.80 1ckr s THR 425 N 1.63 4.79 0.14 -0.34 2.01 -1.26 -1.21 115.64 121.39 1ckr s THR 425 Ca 0.04 1.39 0.02 0.00 0.31 0.00 0.00 61.69 63.45 1ckr s THR 425 Cb -0.19 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1ckr s THR 425 CO 0.08 -0.18 0.27 -0.36 -0.69 0.00 0.00 174.62 173.74 1ckr s PHE 426 N 2.95 3.48 0.00 4.92 0.40 0.60 -4.98 117.98 125.36 1ckr s PHE 426 Ca 0.34 0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 1ckr s PHE 426 Cb -0.14 -1.68 0.00 0.00 0.51 0.00 0.00 43.02 41.71 1ckr s PHE 426 CO 0.10 0.53 0.00 -2.37 0.70 0.00 0.00 175.22 174.18 1ckr n THR 427 N -0.41 0.00 -4.30 0.64 5.66 0.68 -0.39 114.28 116.16 1ckr n THR 427 Ca -0.07 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.70 1ckr n THR 427 Cb 0.54 -0.71 -0.12 0.00 -1.55 0.00 0.00 70.33 68.49 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 1.79 1.73 -0.13 1.09 -4.23 -0.66 -4.23 115.64 111.00 1ckr s THR 428 Ca 0.00 -1.64 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 1ckr s THR 428 Cb 0.00 -1.62 -0.09 0.00 1.34 0.00 0.00 72.50 72.12 1ckr s THR 428 CO 0.00 -0.13 0.18 0.22 -0.54 0.00 0.00 174.62 174.35 1ckr h TYR 429 N 3.87 0.00 -4.28 3.99 3.20 -1.90 -2.78 116.97 119.08 1ckr h TYR 429 Ca -0.45 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 60.91 1ckr h TYR 429 Cb 1.19 0.00 0.10 0.00 1.54 0.00 0.00 36.73 39.56 1ckr h TYR 429 CO 0.63 0.43 0.35 -1.12 -1.64 0.00 0.00 178.16 176.82 1ckr s SER 430 N -5.91 5.09 -0.05 -2.11 0.01 -1.26 -4.44 113.70 105.02 1ckr s SER 430 Ca -0.11 1.80 -0.30 0.00 1.31 0.00 0.00 55.95 58.65 1ckr s SER 430 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1ckr s SER 430 CO 0.29 -1.64 1.28 1.51 0.41 0.00 0.00 173.24 175.09 1ckr s ASP 431 N -3.24 6.96 -0.09 2.44 -4.77 -1.26 -4.24 116.67 112.47 1ckr s ASP 431 Ca 0.62 1.91 -0.06 0.00 -3.30 0.00 0.00 52.55 51.71 1ckr s ASP 431 Cb -0.17 -2.56 0.02 0.00 -1.09 0.00 0.00 42.92 39.13 1ckr s ASP 431 CO 0.50 -0.66 0.12 -0.46 0.70 0.00 0.00 175.17 175.37 1ckr n ASN 432 N 5.49 -3.78 0.00 2.11 6.94 -0.11 -4.85 115.26 121.06 1ckr n ASN 432 Ca 0.12 1.25 0.00 0.00 -0.02 0.00 0.00 54.58 55.93 1ckr n ASN 432 Cb 0.45 -3.70 0.00 0.00 -2.36 0.00 0.00 39.78 34.17 1ckr n ASN 432 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1ckr n GLN 433 N 2.05 0.00 -1.24 -3.83 7.27 -1.26 -4.93 117.38 115.44 1ckr n GLN 433 Ca -0.21 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.46 1ckr n GLN 433 Cb 0.32 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.84 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 -0.55 0.00 -2.31 3.69 -0.02 -1.26 -4.35 135.00 130.19 1ckr n PRO 434 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 1ckr n PRO 434 Cb 0.00 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1ckr n PRO 434 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ckr s GLY 435 N 7.04 2.77 0.02 -1.23 0.00 -1.26 -4.90 107.32 109.76 1ckr s GLY 435 Ca 1.14 1.04 0.03 0.00 0.00 0.00 0.00 44.72 46.93 1ckr s GLY 435 CO 0.47 1.84 -0.10 -1.34 0.00 0.00 0.00 173.10 173.97 1ckr s VAL 436 N -0.46 0.81 -0.27 1.40 -7.23 0.34 -4.99 120.40 110.00 1ckr s VAL 436 Ca 0.51 -0.79 -0.25 0.00 -1.81 0.00 0.00 61.98 59.64 1ckr s VAL 436 Cb -0.35 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 35.85 1ckr s VAL 436 CO 0.41 -0.03 0.87 -0.22 -0.31 0.00 0.00 175.10 175.82 1ckr s LEU 437 N -0.91 4.06 -0.19 1.32 2.96 -1.26 -0.47 118.68 124.19 1ckr s LEU 437 Ca -0.01 0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 54.81 1ckr s LEU 437 Cb -0.07 -3.24 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1ckr s LEU 437 CO 0.01 -0.61 0.02 -0.63 -1.32 0.00 0.00 176.35 173.81 1ckr s ILE 438 N 3.02 4.17 -0.19 6.68 -1.09 0.50 -4.88 121.20 129.41 1ckr s ILE 438 Ca 0.36 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 1ckr s ILE 438 Cb -0.14 -2.88 0.02 0.00 -1.58 0.00 0.00 42.46 37.87 1ckr s ILE 438 CO 0.10 0.43 -0.17 -1.10 -1.23 0.00 0.00 174.94 172.98 1ckr s GLN 439 N 0.82 3.02 -0.13 2.79 -0.21 -1.17 -0.86 119.66 123.92 1ckr s GLN 439 Ca 0.01 -0.82 -0.27 0.00 0.02 0.00 0.00 55.36 54.31 1ckr s GLN 439 Cb -0.14 -2.67 -0.02 0.00 1.00 0.00 0.00 33.01 31.19 1ckr s GLN 439 CO 0.02 -0.23 0.88 0.08 -2.12 0.00 0.00 175.29 173.93 1ckr s VAL 440 N 1.31 4.86 -0.23 1.09 1.01 -1.17 -0.18 120.40 127.10 1ckr s VAL 440 Ca 0.04 1.77 -0.00 0.00 0.00 0.00 0.00 61.98 63.79 1ckr s VAL 440 Cb -0.14 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1ckr s VAL 440 CO -0.11 0.04 -0.11 -0.31 0.00 0.00 0.00 175.10 174.62 1ckr s TYR 441 N 1.94 3.00 -0.47 5.22 1.51 -0.96 -1.42 117.35 126.17 1ckr s TYR 441 Ca 0.42 -1.64 -0.21 0.00 -1.01 0.00 0.00 57.07 54.63 1ckr s TYR 441 Cb -0.17 -2.00 0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1ckr s TYR 441 CO 0.15 -0.76 0.69 -2.00 -1.11 0.00 0.00 175.55 172.52 1ckr s GLU 442 N 1.29 3.25 0.00 -0.62 2.12 -1.08 -2.65 118.70 121.01 1ckr s GLU 442 Ca 0.01 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1ckr s GLU 442 Cb -0.16 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.23 1ckr s GLU 442 CO -0.07 -1.14 0.00 0.41 -0.54 0.00 0.00 175.26 173.92 1ckr n GLY 443 N 5.08 0.70 0.01 -1.50 0.00 -1.14 -1.49 105.19 106.85 1ckr n GLY 443 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 1.02 -1.26 -4.59 120.64 117.41 1ckr n GLU 444 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ckr n GLU 444 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 1ckr n GLU 444 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ckr n ARG 445 N -0.04 3.41 -2.77 3.49 0.63 -1.26 -4.21 116.66 115.90 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 3.73 -3.03 5.13 0.00 -1.26 -4.42 120.51 117.66 1ckr n ALA 446 Ca 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 53.44 49.38 1ckr n ALA 446 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.13 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 6.94 0.04 -2.85 0.00 3.85 -1.26 -4.70 117.12 119.14 1ckr n MET 447 Ca 0.43 -0.08 -0.20 0.00 -1.00 0.00 0.00 57.70 56.85 1ckr n MET 447 Cb 0.44 0.10 -0.01 0.00 -1.05 0.00 0.00 33.22 32.70 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 -0.02 1.44 0.00 3.17 -2.24 -1.26 -3.45 114.28 111.92 1ckr n THR 448 Ca -0.00 -4.52 0.00 0.00 -2.27 0.00 0.00 64.05 57.26 1ckr n THR 448 Cb 0.02 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 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 -0.09 0.00 -2.71 -0.78 4.81 -1.26 -5.06 118.16 113.07 1ckr n LYS 449 Ca 0.25 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.63 1ckr n LYS 449 Cb 0.63 -0.10 0.08 0.00 0.02 0.00 0.00 35.03 35.67 1ckr n LYS 449 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ckr n ASP 450 N -0.18 -2.09 -4.53 3.14 2.03 -1.26 -5.15 116.55 108.51 1ckr n ASP 450 Ca 0.00 -2.93 -0.26 0.00 0.52 0.00 0.00 54.79 52.13 1ckr n ASP 450 Cb 0.00 1.57 0.13 0.00 -0.72 0.00 0.00 41.12 42.09 1ckr n ASP 450 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ckr s ASN 451 N -1.00 4.01 -0.48 1.67 4.22 -1.26 -4.68 114.94 117.41 1ckr s ASN 451 Ca 0.25 -0.07 -0.16 0.00 -2.14 0.00 0.00 52.86 50.73 1ckr s ASN 451 Cb 0.27 -0.23 0.07 0.00 1.28 0.00 0.00 41.25 42.63 1ckr s ASN 451 CO -0.14 -2.11 0.45 0.20 -2.04 0.00 0.00 177.10 173.46 1ckr s ASN 452 N -4.76 6.17 -0.10 3.54 -0.87 -0.56 -4.90 114.94 113.47 1ckr s ASN 452 Ca 0.68 -1.20 -0.29 0.00 -1.57 0.00 0.00 52.86 50.47 1ckr s ASN 452 Cb -0.05 -2.21 -0.06 0.00 -0.02 0.00 0.00 41.25 38.91 1ckr s ASN 452 CO 0.47 -0.70 1.81 -0.22 -2.57 0.00 0.00 177.10 175.89 1ckr s LEU 453 N 1.90 4.12 -0.24 0.60 0.20 -1.26 -2.65 118.68 121.34 1ckr s LEU 453 Ca 0.07 2.15 0.02 0.00 0.69 0.00 0.00 54.13 57.06 1ckr s LEU 453 Cb -0.23 -3.53 0.05 0.00 -0.43 0.00 0.00 46.19 42.06 1ckr s LEU 453 CO 0.08 -1.19 -0.12 -0.76 -0.29 0.00 0.00 176.35 174.07 1ckr s LEU 454 N 5.06 3.13 0.00 -0.68 1.02 -0.51 -4.99 118.68 121.71 1ckr s LEU 454 Ca 0.81 -1.26 0.00 0.00 0.02 0.00 0.00 54.13 53.70 1ckr s LEU 454 Cb -0.34 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.39 1ckr s LEU 454 CO 0.34 -0.17 0.00 0.61 0.02 0.00 0.00 176.35 177.15 1ckr n GLY 455 N 4.49 1.45 1.78 -3.19 0.00 -1.26 -3.03 105.19 105.43 1ckr n GLY 455 Ca -0.15 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -5.07 -3.82 1.61 2.85 -1.26 -4.95 118.16 107.51 1ckr n LYS 456 Ca 0.00 3.75 -0.10 0.00 -1.05 0.00 0.00 58.31 60.91 1ckr n LYS 456 Cb 0.00 -4.19 -0.08 0.00 -0.65 0.00 0.00 35.03 30.11 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 -3.13 0.05 -0.15 5.58 -0.71 -0.04 -5.00 117.98 114.57 1ckr s PHE 457 Ca 0.00 -0.33 -0.04 0.00 -1.04 0.00 0.00 56.93 55.52 1ckr s PHE 457 Cb 0.00 -0.00 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 1ckr s PHE 457 CO 0.00 -0.50 -0.02 -2.00 -1.34 0.00 0.00 175.22 171.36 1ckr s GLU 458 N -3.07 3.62 -0.13 1.99 2.12 -1.26 -0.37 118.70 121.59 1ckr s GLU 458 Ca -0.01 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1ckr s GLU 458 Cb 0.01 -2.93 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 1ckr s GLU 458 CO -0.07 0.31 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.65 1ckr s LEU 459 N 0.20 2.64 -0.10 2.70 1.98 0.38 -4.99 118.68 121.49 1ckr s LEU 459 Ca -0.01 -0.37 -0.14 0.00 -2.89 0.00 0.00 54.13 50.72 1ckr s LEU 459 Cb -0.14 -1.59 0.03 0.00 0.66 0.00 0.00 46.19 45.16 1ckr s LEU 459 CO 0.02 0.15 0.37 0.42 -1.89 0.00 0.00 176.35 175.42 1ckr s THR 460 N 0.46 0.02 0.00 3.68 -4.23 -1.26 -0.50 115.64 113.81 1ckr s THR 460 Ca -0.10 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1ckr s THR 460 Cb -0.16 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 73.11 1ckr s THR 460 CO 0.05 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1ckr n GLY 461 N 2.37 0.07 3.86 3.99 0.00 -1.26 -5.08 105.19 109.14 1ckr n GLY 461 Ca -0.16 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 4.88 -0.20 -0.61 -1.09 -1.26 -4.88 121.20 118.04 1ckr s ILE 462 Ca 0.00 0.62 -0.29 0.00 -2.23 0.00 0.00 60.65 58.75 1ckr s ILE 462 Cb 0.00 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1ckr s ILE 462 CO 0.00 0.00 1.53 -2.16 -1.23 0.00 0.00 174.94 173.09 1ckr s PRO 463 N -2.60 3.92 -1.14 2.79 0.04 -1.26 -4.71 135.00 132.03 1ckr s PRO 463 Ca 0.46 1.68 -0.21 0.00 0.04 0.00 0.00 61.00 62.97 1ckr s PRO 463 Cb -0.12 -3.97 0.05 0.00 0.04 0.00 0.00 34.50 30.49 1ckr s PRO 463 CO 0.20 -1.13 1.63 -1.25 0.04 0.00 0.00 177.00 176.49 1ckr s PRO 464 N 4.37 3.64 0.44 0.56 0.04 -1.26 -4.49 135.00 138.29 1ckr s PRO 464 Ca 0.68 -1.45 0.08 0.00 0.04 0.00 0.00 61.00 60.35 1ckr s PRO 464 Cb -0.25 -5.41 0.01 0.00 0.04 0.00 0.00 34.50 28.89 1ckr s PRO 464 CO 0.27 -2.39 0.55 0.00 0.04 0.00 0.00 177.00 175.46 1ckr s ALA 465 N 5.28 4.46 -1.05 8.56 0.00 -1.26 -4.79 121.76 132.96 1ckr s ALA 465 Ca 0.52 -1.76 -0.17 0.00 0.00 0.00 0.00 51.96 50.55 1ckr s ALA 465 Cb 0.01 -1.47 0.14 0.00 0.00 0.00 0.00 23.12 21.81 1ckr s ALA 465 CO -0.01 -0.34 1.27 -1.25 0.00 0.00 0.00 175.76 175.44 1ckr s PRO 466 N -4.34 3.80 0.15 0.00 0.04 -1.26 -0.93 135.00 132.46 1ckr s PRO 466 Ca 0.54 -2.08 0.00 0.00 0.04 0.00 0.00 61.00 59.50 1ckr s PRO 466 Cb -0.08 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.46 1ckr s PRO 466 CO 0.32 -1.79 0.00 -2.13 0.04 0.00 0.00 177.00 173.44 1ckr n ARG 467 N 6.28 -3.87 0.00 4.56 3.00 -1.26 -4.60 116.66 120.77 1ckr n ARG 467 Ca 0.30 2.89 0.00 0.00 -0.00 0.00 0.00 57.85 61.04 1ckr n ARG 467 Cb 0.47 -2.95 0.00 0.00 0.00 0.00 0.00 32.46 29.97 1ckr n ARG 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ckr n GLY 468 N 1.25 1.05 0.10 5.14 0.00 -1.05 -4.78 105.19 106.90 1ckr n GLY 468 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ckr n GLY 468 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ckr n VAL 469 N -1.78 1.40 -1.91 1.61 3.14 -1.26 -4.60 118.33 114.94 1ckr n VAL 469 Ca 0.00 -0.82 -0.42 0.00 -2.96 0.00 0.00 64.34 60.14 1ckr n VAL 469 Cb 0.00 -0.59 -0.02 0.00 -1.06 0.00 0.00 33.84 32.17 1ckr n VAL 469 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 1ckr s PRO 470 N -2.49 4.20 0.11 1.45 0.02 -1.26 -4.87 135.00 132.17 1ckr s PRO 470 Ca -0.13 2.42 -0.16 0.00 0.02 0.00 0.00 61.00 63.14 1ckr s PRO 470 Cb 0.06 -3.09 0.03 0.00 0.02 0.00 0.00 34.50 31.53 1ckr s PRO 470 CO 0.80 -0.53 0.39 1.14 -0.33 0.00 0.00 177.00 178.47 1ckr s GLN 471 N -0.12 1.04 -0.01 5.54 -2.07 -1.26 -1.66 119.66 121.12 1ckr s GLN 471 Ca 0.63 -0.67 0.01 0.00 -1.82 0.00 0.00 55.36 53.51 1ckr s GLN 471 Cb -0.44 0.46 -0.00 0.00 -1.09 0.00 0.00 33.01 31.93 1ckr s GLN 471 CO 0.42 -0.40 -0.05 0.96 -1.32 0.00 0.00 175.29 174.91 1ckr s ILE 472 N -3.63 0.37 -0.51 3.63 -0.00 0.48 -4.60 121.20 116.94 1ckr s ILE 472 Ca 0.02 -0.19 -0.21 0.00 -0.00 0.00 0.00 60.65 60.27 1ckr s ILE 472 Cb 0.02 -0.33 0.05 0.00 -0.00 0.00 0.00 42.46 42.20 1ckr s ILE 472 CO -0.11 0.11 0.73 -0.70 -0.00 0.00 0.00 174.94 174.98 1ckr s GLU 473 N -0.02 3.21 -0.81 0.37 2.12 0.89 -0.29 118.70 124.18 1ckr s GLU 473 Ca 0.01 -0.62 -0.23 0.00 0.36 0.00 0.00 54.97 54.49 1ckr s GLU 473 Cb -0.03 -4.07 0.07 0.00 0.26 0.00 0.00 34.13 30.37 1ckr s GLU 473 CO -0.00 -1.28 1.17 0.08 -0.54 0.00 0.00 175.26 174.68 1ckr s VAL 474 N 3.09 4.19 -0.23 3.70 1.01 -0.35 -0.68 120.40 131.13 1ckr s VAL 474 Ca 0.21 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1ckr s VAL 474 Cb -0.16 -4.83 -0.05 0.00 0.00 0.00 0.00 36.38 31.33 1ckr s VAL 474 CO 0.15 -1.65 0.16 -0.89 0.00 0.00 0.00 175.10 172.87 1ckr s THR 475 N 4.33 5.37 -0.44 3.92 2.01 0.36 -2.42 115.64 128.76 1ckr s THR 475 Ca 0.32 0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.48 1ckr s THR 475 Cb -0.09 -3.50 0.12 0.00 0.01 0.00 0.00 72.50 69.04 1ckr s THR 475 CO 0.03 0.36 0.25 -0.36 -0.69 0.00 0.00 174.62 174.21 1ckr s PHE 476 N 0.91 3.55 -0.58 4.92 0.40 0.18 -0.06 117.98 127.31 1ckr s PHE 476 Ca 0.08 -2.39 -0.13 0.00 -0.60 0.00 0.00 56.93 53.89 1ckr s PHE 476 Cb -0.13 -3.26 0.15 0.00 0.51 0.00 0.00 43.02 40.29 1ckr s PHE 476 CO 0.03 -0.96 0.50 0.34 0.70 0.00 0.00 175.22 175.83 1ckr s ASP 477 N 1.80 6.09 0.05 1.36 2.15 -0.83 -1.47 116.67 125.81 1ckr s ASP 477 Ca 0.09 -2.07 -0.21 0.00 0.43 0.00 0.00 52.55 50.79 1ckr s ASP 477 Cb -0.23 -2.13 -0.06 0.00 -0.30 0.00 0.00 42.92 40.20 1ckr s ASP 477 CO -0.04 -0.72 0.63 -0.63 -0.17 0.00 0.00 175.17 174.24 1ckr s ILE 478 N 1.15 4.76 0.26 4.11 1.01 0.07 -0.81 121.20 131.75 1ckr s ILE 478 Ca 0.08 1.34 -0.08 0.00 0.00 0.00 0.00 60.65 61.98 1ckr s ILE 478 Cb -0.24 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.19 1ckr s ILE 478 CO -0.01 0.47 0.57 -1.81 0.00 0.00 0.00 174.94 174.16 1ckr s ASP 479 N -0.59 6.57 0.59 3.58 1.01 0.76 -2.43 116.67 126.16 1ckr s ASP 479 Ca 0.32 0.88 0.29 0.00 0.71 0.00 0.00 52.55 54.75 1ckr s ASP 479 Cb -0.20 -2.21 1.42 0.00 1.01 0.00 0.00 42.92 42.95 1ckr s ASP 479 CO 0.20 -0.14 1.83 0.00 0.21 0.00 0.00 175.17 177.27 1ckr h ALA 480 N 2.18 2.23 -0.52 5.23 0.00 -1.87 -2.01 119.26 124.50 1ckr h ALA 480 Ca -0.47 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.10 1ckr h ALA 480 Cb 1.18 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 1ckr h ALA 480 CO 0.68 -0.81 0.41 0.09 0.00 0.00 0.00 179.25 179.62 1ckr n ASN 481 N -3.62 5.26 -3.94 0.00 4.13 -1.26 -4.82 115.26 111.01 1ckr n ASN 481 Ca 0.10 -3.01 -0.29 0.00 1.68 0.00 0.00 54.58 53.05 1ckr n ASN 481 Cb 0.75 -0.90 0.01 0.00 -1.54 0.00 0.00 39.78 38.11 1ckr n ASN 481 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ckr n GLY 482 N -0.02 -0.42 3.39 7.41 0.00 -0.78 -4.75 105.19 110.02 1ckr n GLY 482 Ca 0.32 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.44 4.13 -0.46 -0.61 1.01 -1.09 -4.30 121.20 116.45 1ckr s ILE 483 Ca 0.49 -0.47 -0.24 0.00 0.00 0.00 0.00 60.65 60.42 1ckr s ILE 483 Cb -0.25 -3.05 0.03 0.00 0.01 0.00 0.00 42.46 39.20 1ckr s ILE 483 CO 0.85 0.18 0.85 -0.22 0.00 0.00 0.00 174.94 176.61 1ckr s LEU 484 N 1.55 4.13 -1.07 2.97 0.20 -0.88 -0.17 118.68 125.41 1ckr s LEU 484 Ca 0.04 -0.00 -0.17 0.00 0.69 0.00 0.00 54.13 54.69 1ckr s LEU 484 Cb -0.16 -3.08 0.14 0.00 -0.43 0.00 0.00 46.19 42.66 1ckr s LEU 484 CO 0.03 -0.98 1.31 0.21 -0.29 0.00 0.00 176.35 176.62 1ckr s ASN 485 N 2.20 6.82 -0.36 3.68 3.84 0.01 -0.67 114.94 130.45 1ckr s ASN 485 Ca 0.33 -2.43 -0.22 0.00 0.21 0.00 0.00 52.86 50.76 1ckr s ASN 485 Cb -0.11 -2.42 0.01 0.00 -0.55 0.00 0.00 41.25 38.18 1ckr s ASN 485 CO 0.25 -0.96 0.72 -0.69 -2.79 0.00 0.00 177.10 173.62 1ckr s VAL 486 N 2.45 4.80 0.16 -5.21 1.01 0.10 -1.96 120.40 121.76 1ckr s VAL 486 Ca 0.39 0.77 0.05 0.00 0.00 0.00 0.00 61.98 63.19 1ckr s VAL 486 Cb -0.03 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1ckr s VAL 486 CO -0.05 -0.38 0.13 -0.55 0.00 0.00 0.00 175.10 174.26 1ckr s SER 487 N 1.81 5.51 -0.15 3.32 0.15 0.91 -1.20 113.70 124.05 1ckr s SER 487 Ca 0.28 -0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.80 1ckr s SER 487 Cb -0.14 -1.44 0.04 0.00 -1.71 0.00 0.00 66.02 62.77 1ckr s SER 487 CO 0.16 0.07 -0.04 0.00 1.20 0.00 0.00 173.24 174.63 1ckr s ALA 488 N -1.74 1.29 -0.16 5.45 0.00 -0.92 -0.49 121.76 125.19 1ckr s ALA 488 Ca 0.31 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1ckr s ALA 488 Cb -0.10 -1.05 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 1ckr s ALA 488 CO 0.23 -0.74 -0.15 0.08 0.00 0.00 0.00 175.76 175.18 1ckr s VAL 489 N 1.72 2.70 -1.15 0.00 1.01 0.14 -2.66 120.40 122.15 1ckr s VAL 489 Ca 0.02 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1ckr s VAL 489 Cb -0.15 -2.14 0.13 0.00 0.00 0.00 0.00 36.38 34.22 1ckr s VAL 489 CO -0.07 0.51 1.44 -1.81 0.00 0.00 0.00 175.10 175.16 1ckr s ASP 490 N 0.83 6.88 0.23 3.32 1.01 0.51 -0.08 116.67 129.37 1ckr s ASP 490 Ca -0.05 -2.54 -0.02 0.00 0.71 0.00 0.00 52.55 50.65 1ckr s ASP 490 Cb -0.15 -2.45 0.23 0.00 1.01 0.00 0.00 42.92 41.56 1ckr s ASP 490 CO -0.00 -0.97 1.63 0.07 0.21 0.00 0.00 175.17 176.10 1ckr h LYS 491 N 7.84 0.64 -0.34 8.23 5.09 -1.81 -0.48 116.57 135.73 1ckr h LYS 491 Ca 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 60.65 60.74 1ckr h LYS 491 Cb 0.92 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 33.21 1ckr h LYS 491 CO 1.28 0.87 0.15 0.77 -2.09 0.00 0.00 179.45 180.42 1ckr h SER 492 N 0.55 0.43 1.24 7.07 0.02 -1.90 -2.60 113.55 118.35 1ckr h SER 492 Ca 0.06 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1ckr h SER 492 Cb 0.80 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1ckr h SER 492 CO 0.07 0.38 0.00 0.41 -1.14 0.00 0.00 176.83 176.55 1ckr n THR 493 N -4.41 0.36 -3.63 -2.27 -1.04 -0.99 -5.01 114.28 97.29 1ckr n THR 493 Ca 0.02 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.05 61.60 1ckr n THR 493 Cb 0.13 -0.57 0.04 0.00 -1.82 0.00 0.00 70.33 68.11 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 1.33 -1.03 2.75 3.41 0.00 -0.23 -5.03 105.19 106.40 1ckr n GLY 494 Ca 0.06 0.47 -0.19 0.00 0.00 0.00 0.00 46.02 46.36 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 -5.71 0.10 0.14 1.61 2.47 -0.98 -5.03 119.74 112.35 1ckr s LYS 495 Ca 0.44 0.28 0.06 0.00 -1.56 0.00 0.00 55.97 55.19 1ckr s LYS 495 Cb -0.15 -0.98 -0.04 0.00 -1.46 0.00 0.00 37.83 35.20 1ckr s LYS 495 CO 0.85 -0.53 -0.14 -1.83 0.16 0.00 0.00 175.35 173.87 1ckr s GLU 496 N 2.28 1.10 -0.05 4.03 -1.05 -1.26 -0.36 118.70 123.38 1ckr s GLU 496 Ca 0.04 -1.34 0.00 0.00 -0.15 0.00 0.00 54.97 53.53 1ckr s GLU 496 Cb -0.14 -0.94 0.02 0.00 -0.44 0.00 0.00 34.13 32.63 1ckr s GLU 496 CO -0.09 0.17 -0.03 1.21 0.95 0.00 0.00 175.26 177.47 1ckr s ASN 497 N -2.71 1.18 -0.03 0.83 2.47 -1.09 -4.99 114.94 110.59 1ckr s ASN 497 Ca 0.13 -0.12 0.02 0.00 0.42 0.00 0.00 52.86 53.31 1ckr s ASN 497 Cb -0.03 -0.46 0.01 0.00 -1.45 0.00 0.00 41.25 39.31 1ckr s ASN 497 CO 0.04 -0.10 -0.08 -1.59 -3.72 0.00 0.00 177.10 171.65 1ckr s LYS 498 N 1.25 0.97 -0.12 0.43 -2.85 -1.26 -2.16 119.74 115.99 1ckr s LYS 498 Ca -0.06 -0.26 -0.03 0.00 -1.00 0.00 0.00 55.97 54.62 1ckr s LYS 498 Cb -0.14 -0.90 -0.03 0.00 -2.06 0.00 0.00 37.83 34.70 1ckr s LYS 498 CO -0.02 0.06 -0.01 -1.50 0.10 0.00 0.00 175.35 173.98 1ckr s ILE 499 N 0.39 4.17 -0.43 3.79 2.07 -0.34 -4.93 121.20 125.92 1ckr s ILE 499 Ca -0.06 -0.28 -0.14 0.00 -1.41 0.00 0.00 60.65 58.76 1ckr s ILE 499 Cb -0.10 -2.80 0.05 0.00 0.13 0.00 0.00 42.46 39.74 1ckr s ILE 499 CO 0.01 0.54 0.32 -0.89 -1.91 0.00 0.00 174.94 173.01 1ckr s THR 500 N -0.25 5.06 -0.37 4.00 2.01 -1.26 -0.72 115.64 124.11 1ckr s THR 500 Ca 0.05 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 60.97 1ckr s THR 500 Cb -0.12 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1ckr s THR 500 CO 0.02 -0.41 0.51 -0.63 -0.69 0.00 0.00 174.62 173.42 1ckr s ILE 501 N 1.63 5.01 -0.43 1.82 1.01 0.15 -4.94 121.20 125.45 1ckr s ILE 501 Ca 0.04 0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.66 1ckr s ILE 501 Cb -0.21 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.29 1ckr s ILE 501 CO 0.08 -0.28 0.81 0.42 0.00 0.00 0.00 174.94 175.97 1ckr s THR 502 N 2.38 4.64 -1.31 2.92 -4.23 -1.26 -2.07 115.64 116.72 1ckr s THR 502 Ca 0.18 0.60 -0.13 0.00 -1.18 0.00 0.00 61.69 61.16 1ckr s THR 502 Cb -0.16 -4.31 0.12 0.00 1.34 0.00 0.00 72.50 69.49 1ckr s THR 502 CO 0.14 -0.66 1.81 -3.20 -0.54 0.00 0.00 174.62 172.17 1ckr n ASN 503 N 6.72 4.82 0.00 3.99 2.85 -1.26 -4.46 115.26 127.92 1ckr n ASN 503 Ca 0.03 -2.98 0.00 0.00 -0.11 0.00 0.00 54.58 51.52 1ckr n ASN 503 Cb 0.48 -1.60 0.00 0.00 1.24 0.00 0.00 39.78 39.91 1ckr n ASN 503 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1ckr n ASP 504 N 5.72 2.81 -4.43 1.20 2.03 -1.26 -4.91 116.55 117.70 1ckr n ASP 504 Ca 0.44 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 55.31 1ckr n ASP 504 Cb 0.40 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.77 1ckr n ASP 504 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ckr s LYS 505 N -1.74 3.17 0.00 -0.67 1.02 -1.26 -4.47 119.74 115.79 1ckr s LYS 505 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1ckr s LYS 505 Cb 0.00 -4.35 0.00 0.00 -0.52 0.00 0.00 37.83 32.96 1ckr s LYS 505 CO 0.00 -1.74 0.00 0.41 -0.92 0.00 0.00 175.35 173.10 1ckr n GLY 506 N 5.33 -0.75 3.53 -3.33 0.00 -1.26 -5.07 105.19 103.64 1ckr n GLY 506 Ca -0.01 0.36 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 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 -6.31 -0.27 1.61 3.00 -1.26 -4.97 116.66 108.46 1ckr n ARG 506 Ca 0.00 0.78 -0.07 0.00 -0.01 0.00 0.00 57.85 58.55 1ckr n ARG 506 Cb 0.00 -5.69 -0.03 0.00 0.00 0.00 0.00 32.46 26.74 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 -1.98 -1.59 0.00 0.55 -0.00 -1.99 -3.46 115.31 106.84 1ckr h LEU 507 Ca -0.59 0.27 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 1ckr h LEU 507 Cb 1.35 0.74 0.00 0.00 -0.00 0.00 0.00 40.66 42.75 1ckr h LEU 507 CO 0.53 -0.31 0.00 -0.24 -0.00 0.00 0.00 178.44 178.41 1ckr n SER 508 N -5.39 0.00 -0.34 0.17 2.88 -1.26 -2.75 113.62 106.93 1ckr n SER 508 Ca 0.03 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.69 1ckr n SER 508 Cb 0.34 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.13 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 0.77 0.09 -1.46 -0.00 -1.99 -2.85 116.57 111.13 1ckr h LYS 509 Ca 0.00 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.65 60.60 1ckr h LYS 509 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 32.23 32.06 1ckr h LYS 509 CO 0.00 0.51 -0.05 1.05 -0.00 0.00 0.00 179.45 180.96 1ckr h GLU 510 N 0.79 -0.12 -0.56 0.07 4.11 -1.93 -2.73 114.58 114.21 1ckr h GLU 510 Ca 0.54 0.01 -0.07 0.00 0.07 0.00 0.00 59.36 59.91 1ckr h GLU 510 Cb 0.80 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1ckr h GLU 510 CO -0.31 0.24 0.07 -0.44 0.07 0.00 0.00 179.01 178.64 1ckr h ASP 511 N -0.98 0.86 0.21 3.06 3.32 -1.61 -2.07 116.42 119.22 1ckr h ASP 511 Ca -0.01 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1ckr h ASP 511 Cb 0.42 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1ckr h ASP 511 CO 0.02 0.88 -0.10 0.40 -1.72 0.00 0.00 179.24 178.72 1ckr h ILE 512 N 0.85 0.71 -0.76 0.35 5.03 -1.68 -1.82 117.51 120.19 1ckr h ILE 512 Ca 0.17 -0.98 0.10 0.00 -0.12 0.00 0.00 64.86 64.04 1ckr h ILE 512 Cb 0.40 1.16 -0.08 0.00 -3.03 0.00 0.00 36.82 35.28 1ckr h ILE 512 CO 0.01 0.17 0.39 -0.08 -0.68 0.00 0.00 178.15 177.97 1ckr h GLU 513 N -0.89 0.62 0.04 2.37 4.81 -1.56 -1.86 114.58 118.11 1ckr h GLU 513 Ca -0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1ckr h GLU 513 Cb 0.51 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1ckr h GLU 513 CO 0.05 0.41 -0.02 0.07 -0.73 0.00 0.00 179.01 178.79 1ckr h ARG 514 N 0.64 -0.05 0.00 1.92 0.11 -1.49 -3.41 114.38 112.10 1ckr h ARG 514 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 1ckr h ARG 514 Cb 0.42 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1ckr h ARG 514 CO -0.29 0.27 -0.44 0.52 0.10 0.00 0.00 179.97 180.13 1ckr h MET 515 N -0.37 0.00 0.00 0.08 2.86 -1.27 -3.41 114.93 112.81 1ckr h MET 515 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ckr h MET 515 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1ckr h MET 515 CO 0.01 0.00 0.00 1.55 1.06 0.00 0.00 176.91 179.53 1ckr n VAL 516 N -4.49 0.00 -0.08 -2.22 3.14 -0.71 -0.07 118.33 113.90 1ckr n VAL 516 Ca -0.06 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.12 1ckr n VAL 516 Cb 0.23 -0.31 -0.12 0.00 -1.06 0.00 0.00 33.84 32.58 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 -0.55 0.68 0.01 1.45 6.02 -1.26 -4.21 117.38 119.53 1ckr n GLN 517 Ca 0.01 0.22 0.12 0.00 -0.01 0.00 0.00 57.00 57.34 1ckr n GLN 517 Cb 0.01 -1.59 0.27 0.00 1.02 0.00 0.00 30.24 29.94 1ckr n GLN 517 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1ckr n GLU 518 N -3.47 0.05 0.00 -1.09 0.28 -0.82 -4.40 120.64 111.20 1ckr n GLU 518 Ca -0.41 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.60 1ckr n GLU 518 Cb 0.99 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 32.33 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 -1.56 0.00 -0.34 -1.84 0.00 0.90 -4.22 120.51 113.44 1ckr n ALA 519 Ca 0.05 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.70 1ckr n ALA 519 Cb 0.35 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.24 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 0.46 0.00 0.00 -0.00 -1.73 -1.32 114.58 111.99 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 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 28.65 1ckr h GLU 520 CO 0.00 0.30 0.00 1.17 -0.00 0.00 0.00 179.01 180.48 1ckr n LYS 521 N -4.88 0.00 0.00 1.06 0.00 -1.26 -2.08 118.16 111.00 1ckr n LYS 521 Ca 0.28 0.48 0.01 0.00 0.00 0.00 0.00 58.31 59.09 1ckr n LYS 521 Cb 0.85 -1.27 0.06 0.00 0.00 0.00 0.00 35.03 34.68 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 -1.63 0.00 -0.06 5.64 9.36 -0.82 -2.39 117.16 127.27 1ckr n TYR 522 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1ckr n TYR 522 Cb 0.00 -0.15 -0.02 0.00 -0.63 0.00 0.00 39.34 38.53 1ckr n TYR 522 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ckr n LYS 523 N -1.15 0.39 0.32 2.98 4.81 -0.56 -0.87 118.16 124.08 1ckr n LYS 523 Ca 0.01 0.15 0.20 0.00 -0.87 0.00 0.00 58.31 57.81 1ckr n LYS 523 Cb 0.01 -1.18 1.08 0.00 0.02 0.00 0.00 35.03 34.97 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 -0.86 1.18 0.06 3.14 0.00 -1.49 0.13 119.26 121.43 1ckr h ALA 524 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1ckr h ALA 524 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1ckr h ALA 524 CO 0.00 -0.10 -1.23 1.49 0.00 0.00 0.00 179.25 179.40 1ckr h GLU 525 N 0.00 0.13 0.00 0.00 4.81 -1.65 -2.93 114.58 114.94 1ckr h GLU 525 Ca 0.01 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1ckr h GLU 525 Cb 0.20 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1ckr h GLU 525 CO -0.00 1.05 0.01 -3.47 -0.73 0.00 0.00 179.01 175.87 1ckr n ASP 526 N -3.40 0.00 -1.51 1.04 2.03 -0.00 -4.86 116.55 109.84 1ckr n ASP 526 Ca -0.07 0.44 -0.00 0.00 0.52 0.00 0.00 54.79 55.68 1ckr n ASP 526 Cb 1.00 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1ckr n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ckr n GLU 527 N -1.44 -0.01 -3.69 -0.67 -0.58 -0.96 -3.93 120.64 109.36 1ckr n GLU 527 Ca 0.00 0.37 -0.27 0.00 -0.42 0.00 0.00 57.16 56.84 1ckr n GLU 527 Cb 0.01 -1.53 0.03 0.00 -0.57 0.00 0.00 31.44 29.38 1ckr n GLU 527 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ckr n LYS 528 N -1.14 -2.41 0.00 3.49 4.01 -1.18 -4.86 118.16 116.06 1ckr n LYS 528 Ca -0.00 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 58.32 1ckr n LYS 528 Cb 0.50 -4.57 0.00 0.00 -0.51 0.00 0.00 35.03 30.45 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 -4.15 0.00 -0.04 1.97 0.00 -1.22 -0.98 117.38 112.97 1ckr n GLN 529 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 57.00 56.96 1ckr n GLN 529 Cb 0.63 0.00 0.32 0.00 0.00 0.00 0.00 30.24 31.19 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 -0.39 2.00 -0.07 2.61 5.12 -1.26 -4.32 116.66 120.35 1ckr n ARG 530 Ca 0.00 -1.47 -0.11 0.00 -1.93 0.00 0.00 57.85 54.34 1ckr n ARG 530 Cb 0.00 -1.46 -0.04 0.00 -1.16 0.00 0.00 32.46 29.79 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 3.36 0.32 -2.70 0.55 3.58 -1.29 -3.37 116.42 116.88 1ckr h ASP 531 Ca 0.00 -0.21 -0.58 0.00 0.42 0.00 0.00 57.03 56.66 1ckr h ASP 531 Cb 0.72 -0.08 -0.11 0.00 1.72 0.00 0.00 39.33 41.58 1ckr h ASP 531 CO 0.00 0.45 0.80 -1.59 -2.88 0.00 0.00 179.24 176.02 1ckr s LYS 532 N -5.36 3.23 0.03 0.28 0.00 -1.09 -4.24 119.74 112.59 1ckr s LYS 532 Ca -0.14 -0.36 -0.20 0.00 0.00 0.00 0.00 55.97 55.27 1ckr s LYS 532 Cb 0.07 -4.15 0.04 0.00 0.00 0.00 0.00 37.83 33.80 1ckr s LYS 532 CO 0.72 -1.87 0.46 0.54 0.00 0.00 0.00 175.35 175.20 1ckr s VAL 533 N 4.81 0.04 0.00 1.79 0.11 0.23 -4.99 120.40 122.40 1ckr s VAL 533 Ca 0.31 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1ckr s VAL 533 Cb -0.11 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1ckr s VAL 533 CO 0.16 -0.19 0.00 -0.24 -3.33 0.00 0.00 175.10 171.50 1ckr n SER 534 N 0.57 0.00 -0.09 3.54 2.88 -1.26 -2.56 113.62 116.69 1ckr n SER 534 Ca -0.19 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.15 1ckr n SER 534 Cb 0.59 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.93 1ckr n SER 534 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ckr h SER 535 N 0.00 0.01 0.00 -3.46 0.87 -1.85 -3.49 113.55 105.64 1ckr h SER 535 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1ckr h SER 535 Cb 0.00 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ckr h SER 535 CO 0.00 1.40 0.00 1.17 -0.53 0.00 0.00 176.83 178.87 1ckr n LYS 536 N -4.45 0.00 -3.12 2.24 0.00 -1.10 -4.98 118.16 106.74 1ckr n LYS 536 Ca -0.28 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 57.82 1ckr n LYS 536 Cb 0.65 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.64 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 -2.40 2.08 -4.27 3.14 4.13 -1.22 -0.60 115.26 116.11 1ckr n ASN 537 Ca 0.00 -3.22 -0.34 0.00 1.68 0.00 0.00 54.58 52.70 1ckr n ASN 537 Cb 0.00 -0.61 -0.15 0.00 -1.54 0.00 0.00 39.78 37.49 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 -2.65 3.91 -1.52 6.41 1.04 -1.06 -0.23 113.70 119.60 1ckr s SER 538 Ca 0.42 -0.44 -0.09 0.00 0.48 0.00 0.00 55.95 56.32 1ckr s SER 538 Cb 0.30 -1.64 -0.02 0.00 0.10 0.00 0.00 66.02 64.77 1ckr s SER 538 CO -0.10 0.03 2.72 0.00 0.98 0.00 0.00 173.24 176.88 1ckr n LEU 539 N 4.42 8.39 0.00 2.42 -0.00 -1.26 -4.37 117.00 126.59 1ckr n LEU 539 Ca -0.19 -4.51 0.00 0.00 -0.00 0.00 0.00 56.01 51.32 1ckr n LEU 539 Cb 0.51 -1.51 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 1ckr n LEU 539 CO 0.29 1.98 0.00 -1.84 -0.00 0.00 0.00 177.39 177.82