#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 4.45 -0.08 4.33 2.12 -1.26 -5.03 118.70 123.24 1ckr s GLU 384 Ca 0.00 0.97 -0.07 0.00 0.36 0.00 0.00 54.97 56.23 1ckr s GLU 384 Cb 0.00 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 1ckr s GLU 384 CO 0.00 0.22 -0.13 -1.71 -0.54 0.00 0.00 175.26 173.11 1ckr n ASN 385 N 3.11 0.89 -3.75 -1.70 2.85 -1.26 -5.07 115.26 110.34 1ckr n ASN 385 Ca -0.03 0.29 -0.12 0.00 -0.11 0.00 0.00 54.58 54.61 1ckr n ASN 385 Cb 0.51 -0.64 -0.12 0.00 1.24 0.00 0.00 39.78 40.77 1ckr n ASN 385 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ckr s VAL 386 N -1.75 -0.02 -0.59 3.44 0.11 -1.26 -5.12 120.40 115.20 1ckr s VAL 386 Ca -0.11 0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1ckr s VAL 386 Cb 0.01 -0.44 0.15 0.00 -1.53 0.00 0.00 36.38 34.57 1ckr s VAL 386 CO 0.16 0.02 0.40 -1.10 -3.33 0.00 0.00 175.10 171.25 1ckr s GLN 387 N 0.67 2.48 -1.33 1.54 -1.52 -1.26 -5.04 119.66 115.20 1ckr s GLN 387 Ca -0.04 -2.44 -0.16 0.00 -1.95 0.00 0.00 55.36 50.77 1ckr s GLN 387 Cb -0.05 -3.70 0.09 0.00 -0.22 0.00 0.00 33.01 29.12 1ckr s GLN 387 CO -0.04 -1.16 1.83 -0.25 -0.25 0.00 0.00 175.29 175.42 1ckr n ASP 388 N 3.62 4.73 -4.73 5.90 8.00 -1.26 -4.98 116.55 127.82 1ckr n ASP 388 Ca 0.06 -2.93 -0.37 0.00 0.71 0.00 0.00 54.79 52.27 1ckr n ASP 388 Cb 0.38 -1.67 -0.06 0.00 -0.02 0.00 0.00 41.12 39.74 1ckr n ASP 388 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1ckr s LEU 389 N 2.90 4.28 -0.84 0.64 0.05 -1.26 -5.04 118.68 119.41 1ckr s LEU 389 Ca 0.49 0.72 -0.21 0.00 0.05 0.00 0.00 54.13 55.19 1ckr s LEU 389 Cb 0.06 -2.57 0.10 0.00 -2.05 0.00 0.00 46.19 41.72 1ckr s LEU 389 CO 0.02 0.07 1.12 -0.76 -0.55 0.00 0.00 176.35 176.24 1ckr s LEU 390 N 0.41 4.57 -0.84 1.48 1.43 -1.26 -4.99 118.68 119.49 1ckr s LEU 390 Ca 0.22 -1.56 -0.24 0.00 -1.03 0.00 0.00 54.13 51.51 1ckr s LEU 390 Cb -0.14 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.69 1ckr s LEU 390 CO 0.08 -1.27 1.28 -0.22 0.23 0.00 0.00 176.35 176.45 1ckr s LEU 391 N 3.54 3.57 -0.35 1.79 0.20 -1.26 -4.97 118.68 121.20 1ckr s LEU 391 Ca 0.31 -0.97 0.02 0.00 0.69 0.00 0.00 54.13 54.18 1ckr s LEU 391 Cb -0.08 -2.53 0.11 0.00 -0.43 0.00 0.00 46.19 43.25 1ckr s LEU 391 CO -0.02 -1.62 0.11 -0.76 -0.29 0.00 0.00 176.35 173.77 1ckr s LEU 392 N 5.05 3.35 -1.27 -0.68 1.43 -1.26 -5.05 118.68 120.24 1ckr s LEU 392 Ca 0.37 -2.06 -0.16 0.00 -1.03 0.00 0.00 54.13 51.25 1ckr s LEU 392 Cb -0.06 -1.21 0.11 0.00 0.03 0.00 0.00 46.19 45.05 1ckr s LEU 392 CO 0.04 -0.37 1.64 0.47 0.23 0.00 0.00 176.35 178.36 1ckr n ASP 393 N 4.33 5.03 -4.87 2.29 8.00 -1.26 -5.00 116.55 125.07 1ckr n ASP 393 Ca 0.02 -2.94 -0.37 0.00 0.71 0.00 0.00 54.79 52.21 1ckr n ASP 393 Cb 0.40 -1.68 -0.06 0.00 -0.02 0.00 0.00 41.12 39.77 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 3.12 5.49 0.00 2.53 -7.23 -1.26 -2.06 120.40 120.99 1ckr s VAL 394 Ca 0.49 0.20 -0.19 0.00 -1.81 0.00 0.00 61.98 60.68 1ckr s VAL 394 Cb 0.02 -3.40 -0.06 0.00 0.56 0.00 0.00 36.38 33.51 1ckr s VAL 394 CO 0.05 0.61 0.54 0.28 -0.31 0.00 0.00 175.10 176.27 1ckr s THR 395 N -0.95 4.91 0.52 5.32 -1.32 -0.68 -4.85 115.64 118.59 1ckr s THR 395 Ca 0.15 1.14 0.16 0.00 -1.21 0.00 0.00 61.69 61.93 1ckr s THR 395 Cb -0.12 -3.87 0.27 0.00 -1.51 0.00 0.00 72.50 67.27 1ckr s THR 395 CO 0.04 0.47 2.15 1.55 -2.21 0.00 0.00 174.62 176.61 1ckr h PRO 396 N 5.32 0.00 -6.10 7.08 0.13 -1.95 -2.65 132.00 133.83 1ckr h PRO 396 Ca -0.47 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.15 1ckr h PRO 396 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1ckr h PRO 396 CO 0.67 0.01 -0.42 -0.51 -0.23 0.00 0.00 178.00 177.52 1ckr s LEU 397 N -9.00 3.33 -0.54 1.56 1.43 -1.26 -2.40 118.68 111.80 1ckr s LEU 397 Ca -0.05 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.06 1ckr s LEU 397 Cb 0.17 -1.90 0.10 0.00 0.03 0.00 0.00 46.19 44.59 1ckr s LEU 397 CO 0.67 -0.58 0.58 -0.94 0.23 0.00 0.00 176.35 176.30 1ckr s SER 398 N -4.05 6.19 -0.21 2.29 1.04 -1.18 -4.48 113.70 113.30 1ckr s SER 398 Ca 0.45 -1.45 -0.20 0.00 0.48 0.00 0.00 55.95 55.23 1ckr s SER 398 Cb -0.02 -2.25 -0.02 0.00 0.10 0.00 0.00 66.02 63.83 1ckr s SER 398 CO 0.26 -0.92 0.62 -0.76 0.98 0.00 0.00 173.24 173.42 1ckr s LEU 399 N 2.16 4.13 0.00 2.42 1.43 -1.26 -3.09 118.68 124.47 1ckr s LEU 399 Ca 0.08 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1ckr s LEU 399 Cb -0.25 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.10 1ckr s LEU 399 CO 0.06 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1ckr n GLY 400 N 3.88 5.43 2.91 -3.19 0.00 -1.08 -4.38 105.19 108.76 1ckr n GLY 400 Ca -0.01 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 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 0.62 0.31 -0.50 -0.61 -4.36 -1.09 -2.25 121.20 113.32 1ckr s ILE 401 Ca 0.00 -0.12 -0.23 0.00 -0.26 0.00 0.00 60.65 60.04 1ckr s ILE 401 Cb 0.00 -0.30 0.04 0.00 1.25 0.00 0.00 42.46 43.45 1ckr s ILE 401 CO 0.00 0.11 0.83 -0.70 0.24 0.00 0.00 174.94 175.42 1ckr s GLU 402 N 0.20 3.33 0.14 0.37 -6.30 0.78 -1.66 118.70 115.56 1ckr s GLU 402 Ca -0.02 -0.30 0.07 0.00 -2.50 0.00 0.00 54.97 52.22 1ckr s GLU 402 Cb -0.05 -4.01 -0.04 0.00 0.00 0.00 0.00 34.13 30.03 1ckr s GLU 402 CO -0.00 -1.30 -0.15 0.95 0.02 0.00 0.00 175.26 174.77 1ckr s THR 403 N 3.48 1.48 0.00 -1.70 -4.23 0.02 -3.39 115.64 111.31 1ckr s THR 403 Ca 0.28 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1ckr s THR 403 Cb -0.13 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.06 1ckr s THR 403 CO 0.19 -0.40 0.00 0.00 -0.54 0.00 0.00 174.62 173.88 1ckr n ALA 404 N 0.43 0.00 -1.23 3.99 0.00 -1.26 -2.03 120.51 120.41 1ckr n ALA 404 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.06 1ckr n ALA 404 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 4.44 3.07 0.00 0.00 -1.26 -4.62 105.19 106.82 1ckr n GLY 405 Ca 0.00 -1.60 -0.07 0.00 0.00 0.00 0.00 46.02 44.35 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 0.41 -1.20 3.18 -0.02 0.00 -0.86 -4.97 105.19 101.73 1ckr n GLY 406 Ca 0.42 0.80 -0.12 0.00 0.00 0.00 0.00 46.02 47.12 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 0.08 -0.82 1.61 -7.23 -1.08 -3.34 120.40 106.84 1ckr s VAL 407 Ca 0.11 -0.65 -0.25 0.00 -1.81 0.00 0.00 61.98 59.38 1ckr s VAL 407 Cb -0.03 -0.63 0.05 0.00 0.56 0.00 0.00 36.38 36.33 1ckr s VAL 407 CO 0.78 -0.36 1.28 -0.32 -0.31 0.00 0.00 175.10 176.17 1ckr s MET 408 N -1.67 3.32 -0.28 4.82 1.75 -1.23 -0.80 119.30 125.21 1ckr s MET 408 Ca -0.12 -0.66 -0.20 0.00 -1.25 0.00 0.00 55.69 53.47 1ckr s MET 408 Cb -0.05 -4.57 -0.02 0.00 2.84 0.00 0.00 34.83 33.03 1ckr s MET 408 CO 0.01 -2.10 0.60 0.99 -0.65 0.00 0.00 175.02 173.87 1ckr s THR 409 N 5.13 4.98 -0.28 10.11 2.01 -0.66 -4.78 115.64 132.15 1ckr s THR 409 Ca 0.36 0.92 -0.02 0.00 0.31 0.00 0.00 61.69 63.26 1ckr s THR 409 Cb -0.07 -3.95 0.04 0.00 0.01 0.00 0.00 72.50 68.53 1ckr s THR 409 CO 0.06 -0.05 -0.02 0.54 -0.69 0.00 0.00 174.62 174.45 1ckr s VAL 410 N 2.52 3.01 -1.23 3.82 0.11 -1.26 -2.66 120.40 124.71 1ckr s VAL 410 Ca 0.24 -1.16 0.26 0.00 -2.93 0.00 0.00 61.98 58.39 1ckr s VAL 410 Cb -0.15 -2.62 0.10 0.00 -1.53 0.00 0.00 36.38 32.17 1ckr s VAL 410 CO 0.10 0.05 1.48 0.00 -3.33 0.00 0.00 175.10 173.41 1ckr n LEU 411 N 4.66 0.64 0.00 2.54 -0.00 -1.26 -4.89 117.00 118.69 1ckr n LEU 411 Ca -0.15 -0.07 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 1ckr n LEU 411 Cb 0.45 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 1ckr n LEU 411 CO 0.27 0.14 0.00 -0.38 -0.00 0.00 0.00 177.39 177.42 1ckr n ILE 412 N -1.24 0.00 -3.66 1.47 2.08 -1.26 -4.95 119.36 111.79 1ckr n ILE 412 Ca 0.08 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.30 1ckr n ILE 412 Cb 0.34 -0.88 -0.02 0.00 -0.75 0.00 0.00 39.64 38.32 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 2.91 1.45 0.23 0.38 0.00 -1.26 -4.95 119.74 118.50 1ckr s LYS 413 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 55.97 55.03 1ckr s LYS 413 Cb 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 37.83 38.30 1ckr s LYS 413 CO 0.00 -0.65 0.81 -0.98 0.00 0.00 0.00 175.35 174.52 1ckr s ARG 414 N -3.71 4.45 -1.22 1.78 1.70 -1.26 -3.12 118.95 117.57 1ckr s ARG 414 Ca 0.07 1.09 -0.04 0.00 -0.47 0.00 0.00 55.73 56.39 1ckr s ARG 414 Cb -0.03 -2.98 -0.01 0.00 -0.57 0.00 0.00 34.95 31.36 1ckr s ARG 414 CO -0.02 0.42 0.81 0.09 -1.08 0.00 0.00 175.30 175.52 1ckr n ASN 415 N 0.94 -2.77 -4.68 -2.89 3.02 -1.01 -4.96 115.26 102.91 1ckr n ASN 415 Ca -0.02 -0.79 -0.40 0.00 -0.03 0.00 0.00 54.58 53.34 1ckr n ASN 415 Cb 0.50 -4.38 -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 5.01 -1.16 3.41 -1.32 -1.01 -4.83 115.64 112.19 1ckr s THR 416 Ca 0.14 1.33 -0.21 0.00 -1.21 0.00 0.00 61.69 61.74 1ckr s THR 416 Cb -0.03 -4.00 -0.00 0.00 -1.51 0.00 0.00 72.50 66.96 1ckr s THR 416 CO 0.79 0.14 1.78 -0.89 -2.21 0.00 0.00 174.62 174.23 1ckr s THR 417 N 1.61 3.81 0.55 5.08 2.01 -1.26 -1.68 115.64 125.76 1ckr s THR 417 Ca 0.33 -1.19 -0.17 0.00 0.31 0.00 0.00 61.69 60.96 1ckr s THR 417 Cb -0.16 -4.81 -0.05 0.00 0.01 0.00 0.00 72.50 67.48 1ckr s THR 417 CO 0.13 -1.53 1.05 0.27 -0.69 0.00 0.00 174.62 173.84 1ckr s ILE 418 N 7.38 3.87 0.43 1.82 -4.36 -0.87 -4.52 121.20 124.95 1ckr s ILE 418 Ca 0.60 0.97 -0.25 0.00 -0.26 0.00 0.00 60.65 61.70 1ckr s ILE 418 Cb 0.00 -3.43 -0.08 0.00 1.25 0.00 0.00 42.46 40.20 1ckr s ILE 418 CO 0.06 -0.45 1.24 -2.16 0.24 0.00 0.00 174.94 173.87 1ckr s PRO 419 N -3.83 3.88 -0.17 0.37 0.04 -1.26 -4.61 135.00 129.42 1ckr s PRO 419 Ca 0.64 2.00 -0.10 0.00 0.04 0.00 0.00 61.00 63.58 1ckr s PRO 419 Cb -0.16 -2.62 0.06 0.00 0.04 0.00 0.00 34.50 31.82 1ckr s PRO 419 CO 0.31 -0.52 0.41 -0.08 0.04 0.00 0.00 177.00 177.17 1ckr s THR 420 N -1.36 -0.02 -0.34 1.26 -1.32 -1.09 -4.94 115.64 107.83 1ckr s THR 420 Ca 0.59 0.08 -0.09 0.00 -1.21 0.00 0.00 61.69 61.07 1ckr s THR 420 Cb -0.34 -0.61 0.02 0.00 -1.51 0.00 0.00 72.50 70.06 1ckr s THR 420 CO 0.43 0.03 0.14 -0.75 -2.21 0.00 0.00 174.62 172.27 1ckr s LYS 421 N 1.20 2.87 -0.08 7.08 2.20 -1.25 -0.94 119.74 130.82 1ckr s LYS 421 Ca -0.08 -1.03 0.04 0.00 -0.36 0.00 0.00 55.97 54.54 1ckr s LYS 421 Cb -0.07 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1ckr s LYS 421 CO -0.11 -0.61 -0.19 -0.65 -0.36 0.00 0.00 175.35 173.44 1ckr s GLN 422 N 1.50 2.80 -0.40 4.03 1.11 -0.61 -4.96 119.66 123.13 1ckr s GLN 422 Ca 0.01 -0.80 -0.02 0.00 0.01 0.00 0.00 55.36 54.56 1ckr s GLN 422 Cb -0.19 -2.35 0.11 0.00 -1.01 0.00 0.00 33.01 29.57 1ckr s GLN 422 CO 0.05 0.38 0.18 0.95 0.01 0.00 0.00 175.29 176.86 1ckr s THR 423 N -0.13 3.21 -0.39 -0.19 -4.23 -1.26 -0.68 115.64 111.98 1ckr s THR 423 Ca -0.03 -2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 58.30 1ckr s THR 423 Cb -0.14 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.52 1ckr s THR 423 CO 0.04 -0.65 0.31 -1.58 -0.54 0.00 0.00 174.62 172.19 1ckr s GLN 424 N 1.13 3.19 -0.37 3.99 2.00 -1.00 -4.97 119.66 123.64 1ckr s GLN 424 Ca 0.08 -0.82 -0.25 0.00 -2.00 0.00 0.00 55.36 52.36 1ckr s GLN 424 Cb -0.22 -3.91 0.01 0.00 0.80 0.00 0.00 33.01 29.69 1ckr s GLN 424 CO -0.04 -0.66 0.87 0.99 -0.50 0.00 0.00 175.29 175.96 1ckr s THR 425 N 1.78 4.64 0.31 -0.34 2.01 -1.26 -1.07 115.64 121.71 1ckr s THR 425 Ca 0.07 1.08 0.03 0.00 0.31 0.00 0.00 61.69 63.18 1ckr s THR 425 Cb -0.18 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 1ckr s THR 425 CO 0.11 -0.50 0.47 -0.36 -0.69 0.00 0.00 174.62 173.65 1ckr s PHE 426 N 3.34 3.44 0.00 4.92 0.40 0.68 -4.96 117.98 125.80 1ckr s PHE 426 Ca 0.36 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.83 1ckr s PHE 426 Cb -0.12 -1.79 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1ckr s PHE 426 CO 0.18 0.22 0.00 -2.37 0.70 0.00 0.00 175.22 173.95 1ckr n THR 427 N -1.63 0.00 -3.90 0.64 5.66 0.69 -0.58 114.28 115.15 1ckr n THR 427 Ca -0.06 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.83 1ckr n THR 427 Cb 0.57 -0.07 -0.11 0.00 -1.55 0.00 0.00 70.33 69.16 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 2.05 0.07 0.00 1.09 -4.23 -0.97 -3.98 115.64 109.67 1ckr s THR 428 Ca 0.00 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1ckr s THR 428 Cb 0.00 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.54 1ckr s THR 428 CO 0.00 -0.33 0.00 0.00 -0.54 0.00 0.00 174.62 173.75 1ckr n TYR 429 N 1.89 0.00 -1.57 3.99 9.36 -1.26 -1.21 117.16 128.36 1ckr n TYR 429 Ca -0.21 0.00 -0.47 0.00 3.32 0.00 0.00 57.90 60.54 1ckr n TYR 429 Cb 0.56 -0.16 -0.03 0.00 -0.63 0.00 0.00 39.34 39.09 1ckr n TYR 429 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1ckr n SER 430 N -1.66 1.13 -4.68 2.98 7.64 -1.26 -4.01 113.62 113.76 1ckr n SER 430 Ca 0.00 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 60.62 1ckr n SER 430 Cb 0.00 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 61.95 1ckr n SER 430 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1ckr s ASP 431 N -0.30 6.58 -0.21 6.43 1.11 -1.26 -4.19 116.67 124.83 1ckr s ASP 431 Ca 0.67 2.48 -0.05 0.00 0.18 0.00 0.00 52.55 55.83 1ckr s ASP 431 Cb -0.80 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 40.66 1ckr s ASP 431 CO 0.56 -0.92 0.09 0.59 1.18 0.00 0.00 175.17 176.67 1ckr n ASN 432 N 6.10 -4.07 -2.42 0.27 3.02 -0.25 -4.90 115.26 113.01 1ckr n ASN 432 Ca 0.17 1.14 -0.05 0.00 -0.03 0.00 0.00 54.58 55.81 1ckr n ASN 432 Cb 0.41 -4.53 -0.04 0.00 -0.61 0.00 0.00 39.78 35.01 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 0.94 -3.88 -0.06 3.52 7.27 -1.26 -4.90 117.38 119.02 1ckr n GLN 433 Ca -0.16 3.00 -0.03 0.00 0.07 0.00 0.00 57.00 59.88 1ckr n GLN 433 Cb 0.25 -4.46 -0.01 0.00 2.41 0.00 0.00 30.24 28.42 1ckr n GLN 433 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 1ckr h PRO 434 N 3.42 0.00 -0.19 3.69 0.11 -1.93 -3.48 132.00 133.62 1ckr h PRO 434 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ckr h PRO 434 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ckr h PRO 434 CO 0.01 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.21 1ckr n GLY 435 N 1.66 0.26 3.33 -0.55 0.00 -1.26 -4.99 105.19 103.65 1ckr n GLY 435 Ca -0.05 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.03 2.29 -0.26 1.61 -7.23 -0.20 -4.88 120.40 111.69 1ckr s VAL 436 Ca 0.00 -1.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.94 1ckr s VAL 436 Cb 0.00 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.10 1ckr s VAL 436 CO 0.00 0.58 0.71 -0.22 -0.31 0.00 0.00 175.10 175.86 1ckr s LEU 437 N -0.48 4.08 -0.24 1.32 2.96 -1.02 -1.25 118.68 124.05 1ckr s LEU 437 Ca 0.06 0.77 -0.07 0.00 -0.22 0.00 0.00 54.13 54.67 1ckr s LEU 437 Cb -0.11 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 1ckr s LEU 437 CO 0.01 -0.46 0.05 -0.63 -1.32 0.00 0.00 176.35 174.00 1ckr s ILE 438 N 2.68 4.26 -0.29 6.68 -1.09 0.29 -4.60 121.20 129.13 1ckr s ILE 438 Ca 0.30 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 1ckr s ILE 438 Cb -0.15 -2.98 0.06 0.00 -1.58 0.00 0.00 42.46 37.82 1ckr s ILE 438 CO 0.09 0.37 -0.04 -1.10 -1.23 0.00 0.00 174.94 173.02 1ckr s GLN 439 N 1.41 2.19 0.10 2.79 -0.21 -1.22 -0.79 119.66 123.93 1ckr s GLN 439 Ca 0.05 -1.42 -0.30 0.00 0.02 0.00 0.00 55.36 53.72 1ckr s GLN 439 Cb -0.15 -3.05 -0.06 0.00 1.00 0.00 0.00 33.01 30.76 1ckr s GLN 439 CO 0.03 -0.66 0.99 0.08 -2.12 0.00 0.00 175.29 173.61 1ckr s VAL 440 N 1.12 4.47 -0.07 1.09 1.01 -1.19 -0.16 120.40 126.67 1ckr s VAL 440 Ca -0.05 2.01 0.02 0.00 0.00 0.00 0.00 61.98 63.96 1ckr s VAL 440 Cb -0.20 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 31.92 1ckr s VAL 440 CO -0.04 0.29 -0.10 -0.31 0.00 0.00 0.00 175.10 174.93 1ckr s TYR 441 N 0.14 1.37 -0.39 5.22 1.51 -0.96 -0.56 117.35 123.68 1ckr s TYR 441 Ca 0.48 -0.53 -0.21 0.00 -1.01 0.00 0.00 57.07 55.81 1ckr s TYR 441 Cb -0.24 -1.05 0.01 0.00 -0.11 0.00 0.00 41.96 40.58 1ckr s TYR 441 CO 0.30 -0.31 0.64 -2.00 -1.11 0.00 0.00 175.55 173.07 1ckr s GLU 442 N 0.89 3.52 0.00 -0.62 2.12 0.13 -2.62 118.70 122.13 1ckr s GLU 442 Ca -0.10 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.11 1ckr s GLU 442 Cb -0.15 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.37 1ckr s GLU 442 CO 0.01 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.29 1ckr n GLY 443 N 4.82 0.17 0.00 -1.50 0.00 -1.18 -1.18 105.19 106.33 1ckr n GLY 443 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.56 120.64 117.45 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 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.00 3.44 -2.45 3.49 0.63 -1.26 -4.30 116.66 116.21 1ckr n ARG 445 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 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 3.65 -3.40 5.13 0.00 -1.26 -4.24 120.51 117.39 1ckr n ALA 446 Ca 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 53.44 49.63 1ckr n ALA 446 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 19.45 15.87 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 8.14 0.56 -3.17 0.00 3.85 -1.26 -4.80 117.12 120.44 1ckr n MET 447 Ca 0.49 -1.13 -0.20 0.00 -1.00 0.00 0.00 57.70 55.87 1ckr n MET 447 Cb 0.45 1.39 -0.04 0.00 -1.05 0.00 0.00 33.22 33.97 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 -0.27 -0.34 0.00 3.17 -2.24 -1.21 -3.28 114.28 110.11 1ckr n THR 448 Ca -0.04 -4.23 0.00 0.00 -2.27 0.00 0.00 64.05 57.51 1ckr n THR 448 Cb 0.30 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 0.70 0.00 0.00 -0.78 4.81 -1.26 -5.10 118.16 116.53 1ckr n LYS 449 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1ckr n LYS 449 Cb 0.62 -0.03 0.00 0.00 0.02 0.00 0.00 35.03 35.63 1ckr n LYS 449 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1ckr n ASP 450 N 0.00 0.00 0.00 3.14 5.75 -1.26 -5.18 116.55 119.00 1ckr n ASP 450 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ckr n ASP 450 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1ckr n ASP 450 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1ckr n ASN 451 N 0.00 0.00 -4.12 -1.12 5.03 -1.26 -4.99 115.26 108.80 1ckr n ASN 451 Ca 0.00 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.12 1ckr n ASN 451 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 38.62 1ckr n ASN 451 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1ckr s ASN 452 N -0.23 4.56 -0.15 6.41 -0.87 -0.33 -4.98 114.94 119.36 1ckr s ASN 452 Ca 0.00 -1.29 -0.29 0.00 -1.57 0.00 0.00 52.86 49.71 1ckr s ASN 452 Cb 0.00 -1.62 -0.02 0.00 -0.02 0.00 0.00 41.25 39.60 1ckr s ASN 452 CO 0.00 -0.21 1.30 -0.22 -2.57 0.00 0.00 177.10 175.40 1ckr s LEU 453 N 1.18 4.20 -0.26 0.60 2.96 -1.26 0.22 118.68 126.31 1ckr s LEU 453 Ca -0.07 1.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.62 1ckr s LEU 453 Cb -0.19 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.02 1ckr s LEU 453 CO -0.04 -0.77 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.36 1ckr s LEU 454 N 3.51 3.41 0.00 -0.68 1.02 0.27 -4.94 118.68 121.27 1ckr s LEU 454 Ca 0.56 -1.40 0.00 0.00 0.02 0.00 0.00 54.13 53.32 1ckr s LEU 454 Cb -0.23 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.46 1ckr s LEU 454 CO 0.16 -0.20 0.00 0.61 0.02 0.00 0.00 176.35 176.95 1ckr n GLY 455 N 4.44 1.90 1.69 -3.19 0.00 -1.26 -3.14 105.19 105.63 1ckr n GLY 455 Ca -0.14 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.63 -3.63 1.61 2.85 -1.26 -4.95 118.16 108.14 1ckr n LYS 456 Ca 0.00 3.48 -0.13 0.00 -1.05 0.00 0.00 58.31 60.61 1ckr n LYS 456 Cb 0.00 -4.04 -0.06 0.00 -0.65 0.00 0.00 35.03 30.28 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 -4.01 -0.31 -0.23 5.58 -0.71 0.03 -5.00 117.98 113.32 1ckr s PHE 457 Ca 0.00 0.27 -0.05 0.00 -1.04 0.00 0.00 56.93 56.11 1ckr s PHE 457 Cb 0.00 0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 42.06 1ckr s PHE 457 CO 0.00 -0.60 -0.01 -2.00 -1.34 0.00 0.00 175.22 171.27 1ckr s GLU 458 N -2.58 3.41 -0.22 1.99 2.12 -1.26 -0.55 118.70 121.60 1ckr s GLU 458 Ca -0.05 -0.62 -0.12 0.00 0.36 0.00 0.00 54.97 54.55 1ckr s GLU 458 Cb -0.01 -3.11 -0.05 0.00 0.26 0.00 0.00 34.13 31.22 1ckr s GLU 458 CO -0.03 -0.22 0.23 -1.17 -0.54 0.00 0.00 175.26 173.53 1ckr s LEU 459 N 1.51 4.14 0.02 2.70 2.96 -0.38 -4.97 118.68 124.66 1ckr s LEU 459 Ca 0.06 0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1ckr s LEU 459 Cb -0.15 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 1ckr s LEU 459 CO -0.01 0.04 -0.01 0.42 -1.32 0.00 0.00 176.35 175.47 1ckr s THR 460 N 1.01 0.10 0.00 3.68 -4.23 -1.26 -1.03 115.64 113.91 1ckr s THR 460 Ca 0.11 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1ckr s THR 460 Cb -0.14 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1ckr s THR 460 CO 0.05 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1ckr n GLY 461 N 1.62 0.31 3.86 3.99 0.00 -1.26 -5.08 105.19 108.63 1ckr n GLY 461 Ca -0.24 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 4.92 -0.04 -0.61 -1.09 -1.26 -4.89 121.20 118.23 1ckr s ILE 462 Ca 0.00 0.59 -0.30 0.00 -2.23 0.00 0.00 60.65 58.71 1ckr s ILE 462 Cb 0.00 -3.66 -0.06 0.00 -1.58 0.00 0.00 42.46 37.16 1ckr s ILE 462 CO 0.00 0.06 1.68 -2.16 -1.23 0.00 0.00 174.94 173.30 1ckr s PRO 463 N -2.45 4.18 -0.75 2.79 0.04 -1.26 -4.65 135.00 132.89 1ckr s PRO 463 Ca 0.43 2.23 -0.27 0.00 0.04 0.00 0.00 61.00 63.43 1ckr s PRO 463 Cb -0.13 -3.99 0.03 0.00 0.04 0.00 0.00 34.50 30.45 1ckr s PRO 463 CO 0.20 -0.85 1.35 -1.25 0.04 0.00 0.00 177.00 176.49 1ckr s PRO 464 N 4.04 3.17 0.37 0.56 0.04 -1.26 -4.34 135.00 137.57 1ckr s PRO 464 Ca 0.75 -0.23 0.08 0.00 0.04 0.00 0.00 61.00 61.63 1ckr s PRO 464 Cb -0.34 -4.29 -0.07 0.00 0.04 0.00 0.00 34.50 29.84 1ckr s PRO 464 CO 0.31 -2.21 -0.03 0.00 0.04 0.00 0.00 177.00 175.10 1ckr s ALA 465 N 6.00 2.94 -1.03 8.56 0.00 -1.26 -4.88 121.76 132.09 1ckr s ALA 465 Ca 0.39 -2.17 -0.17 0.00 0.00 0.00 0.00 51.96 50.01 1ckr s ALA 465 Cb -0.08 0.13 0.14 0.00 0.00 0.00 0.00 23.12 23.31 1ckr s ALA 465 CO 0.14 -0.06 1.25 -1.25 0.00 0.00 0.00 175.76 175.84 1ckr s PRO 466 N -3.69 3.76 0.21 0.00 0.04 -1.26 -1.09 135.00 132.97 1ckr s PRO 466 Ca 0.34 -1.99 0.00 0.00 0.04 0.00 0.00 61.00 59.39 1ckr s PRO 466 Cb 0.06 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.60 1ckr s PRO 466 CO 0.17 -1.81 0.00 -2.13 0.04 0.00 0.00 177.00 173.27 1ckr n ARG 467 N 6.44 -4.56 0.00 4.56 3.00 -1.26 -4.61 116.66 120.24 1ckr n ARG 467 Ca 0.29 3.31 0.00 0.00 -0.00 0.00 0.00 57.85 61.45 1ckr n ARG 467 Cb 0.47 -3.50 0.00 0.00 0.00 0.00 0.00 32.46 29.43 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 1.27 1.43 0.09 5.14 0.00 -0.35 -4.77 105.19 108.01 1ckr n GLY 468 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1ckr n GLY 468 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ckr h VAL 469 N 0.00 0.90 -3.47 1.61 3.04 -1.82 -3.42 116.25 113.10 1ckr h VAL 469 Ca 0.00 -2.70 -0.53 0.00 -1.01 0.00 0.00 66.70 62.46 1ckr h VAL 469 Cb 0.00 2.50 0.06 0.00 -2.01 0.00 0.00 31.29 31.84 1ckr h VAL 469 CO 0.00 0.63 0.75 -2.84 -1.01 0.00 0.00 177.57 175.10 1ckr s PRO 470 N -2.60 4.27 0.14 4.17 0.02 -1.26 -4.92 135.00 134.82 1ckr s PRO 470 Ca -0.08 2.31 -0.12 0.00 0.02 0.00 0.00 61.00 63.13 1ckr s PRO 470 Cb 0.08 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.51 1ckr s PRO 470 CO 0.82 -0.40 0.33 1.14 -0.33 0.00 0.00 177.00 178.56 1ckr s GLN 471 N -0.64 1.09 -0.04 5.54 -2.07 -1.26 -2.29 119.66 120.00 1ckr s GLN 471 Ca 0.58 -0.96 -0.01 0.00 -1.82 0.00 0.00 55.36 53.15 1ckr s GLN 471 Cb -0.42 0.41 0.03 0.00 -1.09 0.00 0.00 33.01 31.95 1ckr s GLN 471 CO 0.46 -0.41 0.07 0.96 -1.32 0.00 0.00 175.29 175.05 1ckr s ILE 472 N -3.89 -0.05 -0.61 3.63 -0.00 0.25 -4.54 121.20 115.99 1ckr s ILE 472 Ca 0.09 0.19 -0.19 0.00 -0.00 0.00 0.00 60.65 60.74 1ckr s ILE 472 Cb 0.03 -0.14 0.11 0.00 -0.00 0.00 0.00 42.46 42.46 1ckr s ILE 472 CO -0.06 0.08 0.72 -0.70 -0.00 0.00 0.00 174.94 174.98 1ckr s GLU 473 N 1.03 3.08 -0.80 0.37 2.12 0.11 -0.23 118.70 124.39 1ckr s GLU 473 Ca -0.08 -1.38 -0.26 0.00 0.36 0.00 0.00 54.97 53.61 1ckr s GLU 473 Cb -0.11 -4.30 0.02 0.00 0.26 0.00 0.00 34.13 30.00 1ckr s GLU 473 CO -0.04 -1.54 1.43 0.08 -0.54 0.00 0.00 175.26 174.65 1ckr s VAL 474 N 2.59 3.71 -0.26 3.70 1.01 -0.23 -0.55 120.40 130.37 1ckr s VAL 474 Ca 0.12 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 1ckr s VAL 474 Cb -0.23 -4.78 -0.05 0.00 0.00 0.00 0.00 36.38 31.33 1ckr s VAL 474 CO 0.05 -1.71 0.24 -0.89 0.00 0.00 0.00 175.10 172.80 1ckr s THR 475 N 6.23 5.28 -0.46 3.92 2.01 0.26 -2.37 115.64 130.50 1ckr s THR 475 Ca 0.44 0.31 -0.08 0.00 0.31 0.00 0.00 61.69 62.67 1ckr s THR 475 Cb -0.07 -3.58 0.12 0.00 0.01 0.00 0.00 72.50 68.98 1ckr s THR 475 CO 0.09 0.25 0.32 -0.36 -0.69 0.00 0.00 174.62 174.23 1ckr s PHE 476 N 1.63 3.46 -0.56 4.92 0.40 0.15 0.15 117.98 128.13 1ckr s PHE 476 Ca 0.10 -2.00 -0.12 0.00 -0.60 0.00 0.00 56.93 54.32 1ckr s PHE 476 Cb -0.15 -3.45 0.14 0.00 0.51 0.00 0.00 43.02 40.07 1ckr s PHE 476 CO 0.09 -0.99 0.46 0.34 0.70 0.00 0.00 175.22 175.82 1ckr s ASP 477 N 2.48 5.99 0.05 1.36 2.15 -0.95 -1.57 116.67 126.17 1ckr s ASP 477 Ca 0.06 -2.04 -0.24 0.00 0.43 0.00 0.00 52.55 50.76 1ckr s ASP 477 Cb -0.25 -2.10 -0.06 0.00 -0.30 0.00 0.00 42.92 40.21 1ckr s ASP 477 CO -0.02 -0.71 0.74 -0.63 -0.17 0.00 0.00 175.17 174.38 1ckr s ILE 478 N 1.18 4.72 0.23 4.11 1.01 -0.11 -0.77 121.20 131.57 1ckr s ILE 478 Ca 0.07 1.57 -0.12 0.00 0.00 0.00 0.00 60.65 62.17 1ckr s ILE 478 Cb -0.25 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.06 1ckr s ILE 478 CO -0.01 0.39 0.60 -1.81 0.00 0.00 0.00 174.94 174.11 1ckr s ASP 479 N -0.21 6.73 0.61 3.58 1.01 0.70 -2.66 116.67 126.43 1ckr s ASP 479 Ca 0.37 1.06 0.26 0.00 0.71 0.00 0.00 52.55 54.95 1ckr s ASP 479 Cb -0.20 -2.28 1.21 0.00 1.01 0.00 0.00 42.92 42.66 1ckr s ASP 479 CO 0.22 -0.05 1.64 0.00 0.21 0.00 0.00 175.17 177.19 1ckr h ALA 480 N 2.78 2.32 -0.85 5.23 0.00 -1.87 -2.36 119.26 124.51 1ckr h ALA 480 Ca -0.48 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 53.82 1ckr h ALA 480 Cb 1.18 0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.76 1ckr h ALA 480 CO 0.67 -1.03 0.77 0.09 0.00 0.00 0.00 179.25 179.75 1ckr n ASN 481 N -3.36 7.34 -3.85 0.00 3.02 -1.26 -4.81 115.26 112.34 1ckr n ASN 481 Ca 0.11 -3.59 -0.24 0.00 -0.03 0.00 0.00 54.58 50.83 1ckr n ASN 481 Cb 0.94 -1.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.49 -0.29 3.23 7.41 0.00 -0.91 -4.83 105.19 109.32 1ckr n GLY 482 Ca 0.53 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.74 3.14 -0.47 -0.61 1.01 -1.07 -4.26 121.20 115.20 1ckr s ILE 483 Ca 0.10 -0.98 -0.27 0.00 0.00 0.00 0.00 60.65 59.50 1ckr s ILE 483 Cb -0.05 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.83 1ckr s ILE 483 CO 0.85 0.14 1.02 -0.76 0.00 0.00 0.00 174.94 176.19 1ckr s LEU 484 N 1.36 3.85 -1.26 2.97 1.43 -0.88 -0.21 118.68 125.93 1ckr s LEU 484 Ca 0.00 0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 1ckr s LEU 484 Cb -0.17 -3.35 0.16 0.00 0.03 0.00 0.00 46.19 42.86 1ckr s LEU 484 CO -0.03 -1.14 1.71 -3.20 0.23 0.00 0.00 176.35 173.93 1ckr n ASN 485 N 7.47 5.08 -4.58 2.29 2.85 0.05 -0.37 115.26 128.05 1ckr n ASN 485 Ca 0.09 -3.04 -0.42 0.00 -0.11 0.00 0.00 54.58 51.10 1ckr n ASN 485 Cb 0.49 -1.54 -0.06 0.00 1.24 0.00 0.00 39.78 39.91 1ckr n ASN 485 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ckr s VAL 486 N 1.18 4.86 0.34 3.44 0.11 -0.36 -2.25 120.40 127.72 1ckr s VAL 486 Ca 0.42 0.69 0.08 0.00 -2.93 0.00 0.00 61.98 60.23 1ckr s VAL 486 Cb 0.05 -4.10 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 1ckr s VAL 486 CO 0.00 -0.32 0.24 -0.55 -3.33 0.00 0.00 175.10 171.15 1ckr s SER 487 N 1.78 5.07 -0.04 3.54 0.15 0.12 -2.18 113.70 122.13 1ckr s SER 487 Ca 0.26 -0.60 -0.02 0.00 0.70 0.00 0.00 55.95 56.29 1ckr s SER 487 Cb -0.14 -0.88 0.03 0.00 -1.71 0.00 0.00 66.02 63.32 1ckr s SER 487 CO 0.15 -0.34 0.05 0.00 1.20 0.00 0.00 173.24 174.30 1ckr s ALA 488 N -2.35 0.28 -0.16 5.45 0.00 -0.81 -0.58 121.76 123.60 1ckr s ALA 488 Ca 0.40 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1ckr s ALA 488 Cb -0.05 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 1ckr s ALA 488 CO 0.25 -0.46 -0.15 0.08 0.00 0.00 0.00 175.76 175.48 1ckr s VAL 489 N 2.07 2.64 -1.21 0.00 1.01 0.29 -2.57 120.40 122.63 1ckr s VAL 489 Ca 0.04 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 1ckr s VAL 489 Cb -0.12 -2.11 0.13 0.00 0.00 0.00 0.00 36.38 34.27 1ckr s VAL 489 CO -0.03 0.51 1.52 -1.81 0.00 0.00 0.00 175.10 175.29 1ckr s ASP 490 N 0.84 6.93 0.21 3.32 1.01 0.90 0.09 116.67 129.97 1ckr s ASP 490 Ca -0.05 -2.67 -0.03 0.00 0.71 0.00 0.00 52.55 50.52 1ckr s ASP 490 Cb -0.15 -2.47 0.16 0.00 1.01 0.00 0.00 42.92 41.47 1ckr s ASP 490 CO -0.01 -0.95 1.56 0.07 0.21 0.00 0.00 175.17 176.05 1ckr h LYS 491 N 7.54 0.59 0.00 8.23 5.09 -1.80 -0.76 116.57 135.47 1ckr h LYS 491 Ca 0.35 -0.32 -0.01 0.00 0.09 0.00 0.00 60.65 60.76 1ckr h LYS 491 Cb 0.89 0.02 -0.00 0.00 0.10 0.00 0.00 32.23 33.23 1ckr h LYS 491 CO 1.32 0.92 -0.03 0.77 -2.09 0.00 0.00 179.45 180.34 1ckr h SER 492 N 0.48 0.00 0.63 7.07 0.02 -1.90 -2.35 113.55 117.50 1ckr h SER 492 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1ckr h SER 492 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1ckr h SER 492 CO 0.09 0.03 -0.22 0.41 -1.14 0.00 0.00 176.83 176.00 1ckr n THR 493 N -4.41 0.00 -3.74 -2.27 -1.04 -0.92 -5.02 114.28 96.88 1ckr n THR 493 Ca -0.03 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.64 1ckr n THR 493 Cb 0.12 -0.09 0.03 0.00 -1.82 0.00 0.00 70.33 68.57 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 1.44 -1.00 2.80 3.41 0.00 -0.34 -5.02 105.19 106.48 1ckr n GLY 494 Ca 0.08 0.45 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 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 -6.04 0.13 0.08 1.61 2.47 -1.01 -5.03 119.74 111.94 1ckr s LYS 495 Ca 0.42 0.36 0.04 0.00 -1.56 0.00 0.00 55.97 55.23 1ckr s LYS 495 Cb -0.17 -0.82 -0.03 0.00 -1.46 0.00 0.00 37.83 35.35 1ckr s LYS 495 CO 0.88 -0.50 -0.11 -1.83 0.16 0.00 0.00 175.35 173.94 1ckr s GLU 496 N 2.31 0.79 -0.04 4.03 -1.05 -1.26 -0.07 118.70 123.42 1ckr s GLU 496 Ca 0.05 -1.01 0.03 0.00 -0.15 0.00 0.00 54.97 53.88 1ckr s GLU 496 Cb -0.14 -0.62 0.00 0.00 -0.44 0.00 0.00 34.13 32.93 1ckr s GLU 496 CO -0.09 0.12 -0.11 -0.80 0.95 0.00 0.00 175.26 175.33 1ckr s ASN 497 N -2.02 1.43 0.14 0.83 -0.87 -1.06 -4.98 114.94 108.41 1ckr s ASN 497 Ca -0.00 -0.23 0.02 0.00 -1.57 0.00 0.00 52.86 51.09 1ckr s ASN 497 Cb -0.07 -0.45 -0.04 0.00 -0.02 0.00 0.00 41.25 40.66 1ckr s ASN 497 CO 0.01 0.07 -0.05 -1.59 -2.57 0.00 0.00 177.10 172.97 1ckr s LYS 498 N 0.29 0.99 -0.04 -0.60 -2.85 -1.26 -1.92 119.74 114.35 1ckr s LYS 498 Ca -0.06 -1.44 -0.01 0.00 -1.00 0.00 0.00 55.97 53.46 1ckr s LYS 498 Cb -0.11 -0.32 0.03 0.00 -2.06 0.00 0.00 37.83 35.37 1ckr s LYS 498 CO 0.01 -0.04 0.08 -1.50 0.10 0.00 0.00 175.35 174.00 1ckr s ILE 499 N -3.57 -0.05 -0.47 3.79 2.07 -0.93 -5.00 121.20 117.04 1ckr s ILE 499 Ca 0.18 0.17 -0.13 0.00 -1.41 0.00 0.00 60.65 59.45 1ckr s ILE 499 Cb 0.05 -0.15 0.09 0.00 0.13 0.00 0.00 42.46 42.58 1ckr s ILE 499 CO -0.00 0.07 0.38 -0.89 -1.91 0.00 0.00 174.94 172.58 1ckr s THR 500 N 0.95 4.90 -0.44 4.00 2.01 -1.25 -1.23 115.64 124.57 1ckr s THR 500 Ca -0.08 -1.29 -0.24 0.00 0.31 0.00 0.00 61.69 60.39 1ckr s THR 500 Cb -0.10 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.42 1ckr s THR 500 CO -0.04 -0.63 0.85 -0.63 -0.69 0.00 0.00 174.62 173.48 1ckr s ILE 501 N 1.56 4.58 -0.52 1.82 1.01 0.50 -4.92 121.20 125.24 1ckr s ILE 501 Ca 0.04 0.66 -0.25 0.00 0.00 0.00 0.00 60.65 61.10 1ckr s ILE 501 Cb -0.25 -4.35 0.03 0.00 0.01 0.00 0.00 42.46 37.90 1ckr s ILE 501 CO 0.04 -0.72 0.97 0.42 0.00 0.00 0.00 174.94 175.66 1ckr s THR 502 N 3.46 4.37 0.00 2.92 -4.23 -1.26 -2.06 115.64 118.85 1ckr s THR 502 Ca 0.33 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.41 1ckr s THR 502 Cb -0.11 -4.52 0.00 0.00 1.34 0.00 0.00 72.50 69.21 1ckr s THR 502 CO 0.23 -1.02 1.05 -3.20 -0.54 0.00 0.00 174.62 171.14 1ckr n ASN 503 N 7.47 3.05 0.00 3.99 5.15 -1.26 -5.01 115.26 128.65 1ckr n ASN 503 Ca 0.05 -1.87 0.00 0.00 -0.60 0.00 0.00 54.58 52.16 1ckr n ASN 503 Cb 0.48 -0.55 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1ckr n ASN 503 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ckr n ASP 504 N 0.73 0.00 -3.15 1.20 2.03 -1.26 -4.72 116.55 111.38 1ckr n ASP 504 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 1ckr n ASP 504 Cb 0.45 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.84 1ckr n ASP 504 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1ckr s LYS 505 N 0.00 0.53 -1.24 -0.67 0.00 -1.26 -5.04 119.74 112.05 1ckr s LYS 505 Ca 0.00 0.87 -0.01 0.00 0.00 0.00 0.00 55.97 56.83 1ckr s LYS 505 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 37.83 38.31 1ckr s LYS 505 CO 0.00 -0.64 0.06 0.41 0.00 0.00 0.00 175.35 175.18 1ckr n GLY 506 N 5.43 -0.50 1.76 0.59 0.00 -1.26 -4.93 105.19 106.27 1ckr n GLY 506 Ca -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1ckr n GLY 506 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ckr n ARG 506 N -2.96 1.56 0.05 1.61 0.00 -1.26 -4.28 116.66 111.37 1ckr n ARG 506 Ca -0.16 -1.10 0.00 0.00 -0.00 0.00 0.00 57.85 56.60 1ckr n ARG 506 Cb 0.62 -1.43 0.00 0.00 -0.00 0.00 0.00 32.46 31.65 1ckr n ARG 506 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1ckr n LEU 507 N 0.64 -0.88 0.00 2.89 -0.00 -1.26 -5.04 117.00 113.35 1ckr n LEU 507 Ca 0.21 0.22 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 1ckr n LEU 507 Cb 0.57 1.12 0.00 0.00 -0.00 0.00 0.00 43.42 45.11 1ckr n LEU 507 CO 0.26 -0.20 0.00 -0.24 -0.00 0.00 0.00 177.39 177.21 1ckr n SER 508 N -2.54 0.00 -0.30 1.45 2.88 -1.26 -2.69 113.62 111.17 1ckr n SER 508 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1ckr n SER 508 Cb 0.00 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.68 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 0.63 0.03 -1.46 -0.00 -1.99 -2.69 116.57 111.09 1ckr h LYS 509 Ca 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.65 60.61 1ckr h LYS 509 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 32.23 32.09 1ckr h LYS 509 CO 0.00 0.42 -0.01 1.05 -0.00 0.00 0.00 179.45 180.91 1ckr h GLU 510 N 0.65 -0.03 -0.01 0.07 4.11 -1.99 -2.78 114.58 114.60 1ckr h GLU 510 Ca 0.45 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.88 1ckr h GLU 510 Cb 0.61 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ckr h GLU 510 CO -0.34 0.54 -0.03 -0.44 0.07 0.00 0.00 179.01 178.81 1ckr h ASP 511 N -0.64 0.03 -0.21 3.06 3.32 -1.60 -2.81 116.42 117.58 1ckr h ASP 511 Ca -0.00 -0.68 0.05 0.00 0.02 0.00 0.00 57.03 56.42 1ckr h ASP 511 Cb 0.59 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 1ckr h ASP 511 CO 0.01 0.70 -0.09 0.40 -1.72 0.00 0.00 179.24 178.54 1ckr h ILE 512 N -0.63 0.70 -0.60 0.35 5.03 -1.64 -0.96 117.51 119.77 1ckr h ILE 512 Ca -0.00 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.78 1ckr h ILE 512 Cb 0.70 0.70 -0.05 0.00 -3.03 0.00 0.00 36.82 35.15 1ckr h ILE 512 CO 0.01 0.00 0.34 -0.08 -0.68 0.00 0.00 178.15 177.74 1ckr h GLU 513 N -0.06 0.63 0.11 2.37 4.81 -1.63 -1.69 114.58 119.13 1ckr h GLU 513 Ca 0.11 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1ckr h GLU 513 Cb 0.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ckr h GLU 513 CO -0.25 0.42 -0.06 0.07 -0.73 0.00 0.00 179.01 178.47 1ckr h ARG 514 N 0.65 -0.15 0.10 1.92 0.11 -1.28 -3.40 114.38 112.35 1ckr h ARG 514 Ca 0.25 0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.34 1ckr h ARG 514 Cb 0.10 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1ckr h ARG 514 CO -0.14 0.12 -0.05 0.00 0.10 0.00 0.00 179.97 180.00 1ckr h MET 515 N -0.41 -0.14 -1.56 0.08 -0.00 -1.19 -3.40 114.93 108.32 1ckr h MET 515 Ca -0.02 0.01 -0.12 0.00 -0.00 0.00 0.00 59.70 59.57 1ckr h MET 515 Cb 0.33 0.03 -0.06 0.00 -0.00 0.00 0.00 31.60 31.91 1ckr h MET 515 CO 0.03 -0.03 0.16 1.55 -0.00 0.00 0.00 176.91 178.61 1ckr n VAL 516 N -4.86 2.04 -0.04 -0.10 3.14 -0.64 -0.45 118.33 117.41 1ckr n VAL 516 Ca -0.02 -0.78 -0.07 0.00 -2.96 0.00 0.00 64.34 60.50 1ckr n VAL 516 Cb 0.09 -1.27 -0.04 0.00 -1.06 0.00 0.00 33.84 31.56 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 0.77 0.21 0.10 1.45 6.02 -1.26 -4.48 117.38 120.20 1ckr n GLN 517 Ca 0.12 0.06 0.12 0.00 -0.01 0.00 0.00 57.00 57.29 1ckr n GLN 517 Cb 0.59 -1.08 0.14 0.00 1.02 0.00 0.00 30.24 30.91 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 -0.09 0.00 0.00 -1.09 4.11 -1.64 -3.36 114.58 112.51 1ckr h GLU 518 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1ckr h GLU 518 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1ckr h GLU 518 CO -0.06 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.02 1ckr n ALA 519 N -1.97 0.00 -0.31 1.06 0.00 0.40 -4.07 120.51 115.62 1ckr n ALA 519 Ca 0.03 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.62 1ckr n ALA 519 Cb 0.48 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.27 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 0.35 0.00 0.00 -0.00 -1.78 -0.49 114.58 112.66 1ckr h GLU 520 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1ckr h GLU 520 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 28.67 1ckr h GLU 520 CO 0.00 0.23 0.00 1.17 -0.00 0.00 0.00 179.01 180.41 1ckr n LYS 521 N -5.08 0.00 0.00 1.06 0.00 -1.26 -2.64 118.16 110.24 1ckr n LYS 521 Ca 0.24 0.45 0.03 0.00 0.00 0.00 0.00 58.31 59.03 1ckr n LYS 521 Cb 0.73 -1.27 0.13 0.00 0.00 0.00 0.00 35.03 34.61 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 -1.60 0.00 -0.10 5.64 4.19 -0.99 -2.69 117.16 121.62 1ckr n TYR 522 Ca 0.00 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.06 1ckr n TYR 522 Cb 0.00 -0.45 -0.06 0.00 0.49 0.00 0.00 39.34 39.32 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 -1.45 0.52 0.32 2.98 4.81 -0.23 0.22 118.16 125.33 1ckr n LYS 523 Ca 0.02 0.41 0.19 0.00 -0.87 0.00 0.00 58.31 58.06 1ckr n LYS 523 Cb 0.06 -1.61 1.05 0.00 0.02 0.00 0.00 35.03 34.56 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 1.27 0.03 3.14 0.00 -1.60 -1.18 119.26 120.05 1ckr h ALA 524 Ca -0.22 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1ckr h ALA 524 Cb 1.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1ckr h ALA 524 CO -0.13 0.01 -1.04 1.49 0.00 0.00 0.00 179.25 179.57 1ckr h GLU 525 N 0.00 0.09 0.00 0.00 4.81 -1.64 -2.92 114.58 114.91 1ckr h GLU 525 Ca -0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1ckr h GLU 525 Cb 0.02 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1ckr h GLU 525 CO 0.00 1.04 0.09 0.22 -0.73 0.00 0.00 179.01 179.64 1ckr h ASP 526 N 0.03 0.00 -2.28 1.04 1.82 0.10 -3.46 116.42 113.67 1ckr h ASP 526 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1ckr h ASP 526 Cb 1.79 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.80 1ckr h ASP 526 CO 0.15 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.16 1ckr n GLU 527 N -2.25 0.00 -3.40 0.28 -0.58 -1.02 -4.12 120.64 109.54 1ckr n GLU 527 Ca -0.01 0.23 -0.17 0.00 -0.42 0.00 0.00 57.16 56.79 1ckr n GLU 527 Cb 0.13 -1.14 0.03 0.00 -0.57 0.00 0.00 31.44 29.89 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 -0.91 -1.56 0.00 3.49 4.01 -1.17 -4.81 118.16 117.22 1ckr n LYS 528 Ca 0.00 0.90 0.00 0.00 -0.51 0.00 0.00 58.31 58.70 1ckr n LYS 528 Cb 0.38 -4.85 0.00 0.00 -0.51 0.00 0.00 35.03 30.05 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 -3.07 0.00 0.05 1.97 0.00 -0.96 -0.31 117.38 115.06 1ckr n GLN 529 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 57.00 57.03 1ckr n GLN 529 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.77 1ckr n GLN 529 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1ckr n ARG 530 N -0.04 0.54 -0.45 2.61 0.00 -1.26 -4.69 116.66 113.37 1ckr n ARG 530 Ca 0.00 -0.02 0.35 0.00 -0.00 0.00 0.00 57.85 58.18 1ckr n ARG 530 Cb 0.00 -1.66 0.56 0.00 0.00 0.00 0.00 32.46 31.36 1ckr n ARG 530 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ckr n ASP 531 N -2.35 0.06 -3.65 6.15 2.03 0.57 -2.85 116.55 116.51 1ckr n ASP 531 Ca -0.01 0.84 -0.41 0.00 0.52 0.00 0.00 54.79 55.73 1ckr n ASP 531 Cb 0.53 -0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 40.50 1ckr n ASP 531 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1ckr n LYS 532 N -3.70 2.96 -4.69 -0.67 -0.00 -1.23 -4.17 118.16 106.66 1ckr n LYS 532 Ca 0.31 -2.50 -0.30 0.00 -0.00 0.00 0.00 58.31 55.83 1ckr n LYS 532 Cb 1.35 -3.18 -0.13 0.00 -0.00 0.00 0.00 35.03 33.06 1ckr n LYS 532 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ckr s VAL 533 N 3.06 2.48 0.00 0.58 0.11 -0.76 -4.92 120.40 120.95 1ckr s VAL 533 Ca 0.51 -1.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1ckr s VAL 533 Cb 0.15 -2.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.96 1ckr s VAL 533 CO -0.08 0.30 0.00 -0.24 -3.33 0.00 0.00 175.10 171.75 1ckr n SER 534 N 1.49 0.00 0.01 3.54 2.88 -1.26 -2.39 113.62 117.88 1ckr n SER 534 Ca -0.17 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.16 1ckr n SER 534 Cb 0.52 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.37 0.00 -3.46 0.87 -1.92 -3.49 113.55 105.92 1ckr h SER 535 Ca 0.00 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 1ckr h SER 535 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1ckr h SER 535 CO 0.00 1.62 0.00 1.17 -0.53 0.00 0.00 176.83 179.09 1ckr n LYS 536 N -3.92 0.00 -3.15 2.24 0.00 -1.00 -4.90 118.16 107.43 1ckr n LYS 536 Ca -0.25 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 57.88 1ckr n LYS 536 Cb 0.90 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.90 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 -2.07 0.98 -4.96 3.14 3.02 -1.23 -1.82 115.26 112.32 1ckr n ASN 537 Ca 0.00 -3.01 -0.22 0.00 -0.03 0.00 0.00 54.58 51.32 1ckr n ASN 537 Cb 0.00 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.54 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 -2.51 6.31 -0.56 6.41 1.04 -1.14 -0.22 113.70 123.03 1ckr s SER 538 Ca 0.39 0.24 0.06 0.00 0.48 0.00 0.00 55.95 57.12 1ckr s SER 538 Cb 0.36 -1.94 0.21 0.00 0.10 0.00 0.00 66.02 64.74 1ckr s SER 538 CO -0.07 -0.17 0.53 0.00 0.98 0.00 0.00 173.24 174.51 1ckr n LEU 539 N -1.56 1.87 0.00 2.42 -0.00 -1.26 -4.22 117.00 114.26 1ckr n LEU 539 Ca -0.07 -4.98 0.00 0.00 -0.00 0.00 0.00 56.01 50.96 1ckr n LEU 539 Cb 0.57 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1ckr n LEU 539 CO 0.47 1.92 0.00 -1.84 -0.00 0.00 0.00 177.39 177.94