#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 3.33 -2.55 1.43 4.71 -1.26 -4.89 120.64 121.41 1ckr n GLU 384 Ca 0.00 -2.73 -0.43 0.00 -0.01 0.00 0.00 57.16 53.99 1ckr n GLU 384 Cb 0.00 -3.05 0.00 0.00 -1.01 0.00 0.00 31.44 27.38 1ckr n GLU 384 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ckr n ASN 385 N 4.74 5.29 -4.33 1.62 4.13 -1.26 -4.91 115.26 120.55 1ckr n ASN 385 Ca 0.57 -3.13 -0.45 0.00 1.68 0.00 0.00 54.58 53.26 1ckr n ASN 385 Cb 0.33 -1.46 -0.01 0.00 -1.54 0.00 0.00 39.78 37.10 1ckr n ASN 385 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1ckr s VAL 386 N 0.13 5.81 -1.31 2.41 -7.23 -1.26 -4.98 120.40 113.97 1ckr s VAL 386 Ca 0.39 -3.14 -0.09 0.00 -1.81 0.00 0.00 61.98 57.33 1ckr s VAL 386 Cb 0.06 -4.52 0.14 0.00 0.56 0.00 0.00 36.38 32.62 1ckr s VAL 386 CO 0.01 -1.13 2.06 0.00 -0.31 0.00 0.00 175.10 175.74 1ckr n GLN 387 N 3.09 3.84 -2.00 4.82 3.00 -1.26 -4.92 117.38 123.95 1ckr n GLN 387 Ca 0.20 -3.42 -0.41 0.00 -0.01 0.00 0.00 57.00 53.36 1ckr n GLN 387 Cb 0.42 -2.86 -0.00 0.00 0.00 0.00 0.00 30.24 27.79 1ckr n GLN 387 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1ckr n ASP 388 N 3.40 5.90 -4.45 1.08 8.00 -1.26 -4.88 116.55 124.34 1ckr n ASP 388 Ca 0.47 -2.99 -0.44 0.00 0.71 0.00 0.00 54.79 52.54 1ckr n ASP 388 Cb 0.33 -1.50 -0.00 0.00 -0.02 0.00 0.00 41.12 39.92 1ckr n ASP 388 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ckr s LEU 389 N -0.01 5.21 0.19 0.64 2.96 -1.26 -4.97 118.68 121.44 1ckr s LEU 389 Ca 0.48 -3.02 -0.09 0.00 -0.22 0.00 0.00 54.13 51.28 1ckr s LEU 389 Cb 0.14 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 1ckr s LEU 389 CO -0.05 -0.71 0.30 -1.48 -1.32 0.00 0.00 176.35 173.10 1ckr s LEU 390 N 1.29 0.86 -0.75 -0.68 0.05 -1.26 -5.12 118.68 113.07 1ckr s LEU 390 Ca 0.41 -0.96 -0.27 0.00 0.05 0.00 0.00 54.13 53.35 1ckr s LEU 390 Cb -0.04 1.19 0.03 0.00 -2.05 0.00 0.00 46.19 45.32 1ckr s LEU 390 CO -0.01 -0.94 1.33 -0.76 -0.55 0.00 0.00 176.35 175.42 1ckr s LEU 391 N -3.01 3.19 -0.01 1.48 1.43 -1.26 -4.99 118.68 115.51 1ckr s LEU 391 Ca 0.22 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1ckr s LEU 391 Cb 0.03 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1ckr s LEU 391 CO 0.04 -1.86 -0.02 -1.48 0.23 0.00 0.00 176.35 173.26 1ckr s LEU 392 N 5.95 1.86 -1.02 1.79 0.05 -1.26 -5.10 118.68 120.95 1ckr s LEU 392 Ca 0.38 -0.03 -0.12 0.00 0.05 0.00 0.00 54.13 54.41 1ckr s LEU 392 Cb -0.08 -0.12 0.24 0.00 -2.05 0.00 0.00 46.19 44.18 1ckr s LEU 392 CO 0.14 0.00 1.03 -1.81 -0.55 0.00 0.00 176.35 175.17 1ckr s ASP 393 N 0.13 7.09 -0.04 1.48 1.01 -1.26 -5.05 116.67 120.02 1ckr s ASP 393 Ca -0.01 -3.18 -0.03 0.00 0.71 0.00 0.00 52.55 50.04 1ckr s ASP 393 Cb -0.03 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 1ckr s ASP 393 CO -0.00 -0.46 0.12 0.68 0.21 0.00 0.00 175.17 175.72 1ckr s VAL 394 N -0.37 5.11 -0.05 -1.27 -7.23 -1.26 -1.47 120.40 113.86 1ckr s VAL 394 Ca 0.28 -0.17 -0.18 0.00 -1.81 0.00 0.00 61.98 60.10 1ckr s VAL 394 Cb -0.09 -3.31 -0.05 0.00 0.56 0.00 0.00 36.38 33.49 1ckr s VAL 394 CO -0.08 0.43 0.50 0.28 -0.31 0.00 0.00 175.10 175.92 1ckr s THR 395 N -1.17 5.05 0.57 5.32 -1.32 -0.72 -4.87 115.64 118.50 1ckr s THR 395 Ca 0.22 1.03 0.27 0.00 -1.21 0.00 0.00 61.69 61.99 1ckr s THR 395 Cb -0.12 -3.83 0.35 0.00 -1.51 0.00 0.00 72.50 67.39 1ckr s THR 395 CO 0.12 0.42 2.11 1.55 -2.21 0.00 0.00 174.62 176.62 1ckr h PRO 396 N 5.85 0.00 -6.12 7.08 0.13 -1.94 -2.76 132.00 134.23 1ckr h PRO 396 Ca -0.45 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.08 1ckr h PRO 396 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1ckr h PRO 396 CO 0.70 0.00 -0.70 -1.17 -0.23 0.00 0.00 178.00 176.60 1ckr s LEU 397 N -7.95 2.79 -0.47 1.56 2.96 -1.26 -2.96 118.68 113.35 1ckr s LEU 397 Ca -0.05 -0.99 -0.24 0.00 -0.22 0.00 0.00 54.13 52.63 1ckr s LEU 397 Cb 0.16 -1.23 0.03 0.00 0.50 0.00 0.00 46.19 45.65 1ckr s LEU 397 CO 0.59 -0.06 0.86 -0.94 -1.32 0.00 0.00 176.35 175.47 1ckr s SER 398 N -3.59 6.42 -0.13 3.68 1.04 -1.21 -4.64 113.70 115.26 1ckr s SER 398 Ca 0.32 -0.10 -0.17 0.00 0.48 0.00 0.00 55.95 56.48 1ckr s SER 398 Cb -0.03 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1ckr s SER 398 CO 0.17 -1.02 0.45 -0.76 0.98 0.00 0.00 173.24 173.06 1ckr s LEU 399 N 3.55 4.26 0.00 2.42 1.43 -1.26 -3.52 118.68 125.56 1ckr s LEU 399 Ca 0.32 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 1ckr s LEU 399 Cb -0.12 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1ckr s LEU 399 CO 0.23 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.42 1ckr n GLY 400 N 3.35 4.94 3.11 -3.19 0.00 -1.11 -4.35 105.19 107.94 1ckr n GLY 400 Ca -0.08 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 0.81 0.05 -0.40 -0.61 -4.36 -1.10 -2.21 121.20 113.38 1ckr s ILE 401 Ca 0.00 -0.39 -0.24 0.00 -0.26 0.00 0.00 60.65 59.76 1ckr s ILE 401 Cb 0.00 -0.38 0.02 0.00 1.25 0.00 0.00 42.46 43.34 1ckr s ILE 401 CO 0.00 -0.21 0.84 -1.61 0.24 0.00 0.00 174.94 174.20 1ckr s GLU 402 N -0.76 3.66 0.00 0.37 2.02 0.36 -2.24 118.70 122.11 1ckr s GLU 402 Ca -0.09 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1ckr s GLU 402 Cb -0.05 -3.86 0.00 0.00 0.10 0.00 0.00 34.13 30.33 1ckr s GLU 402 CO 0.01 -0.99 0.00 0.25 0.02 0.00 0.00 175.26 174.55 1ckr n THR 403 N 6.02 0.00 -2.02 3.63 -2.24 -0.07 -3.52 114.28 116.08 1ckr n THR 403 Ca 0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.40 1ckr n THR 403 Cb 0.48 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 1ckr n THR 403 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ckr s ALA 404 N -2.73 3.15 -0.00 6.98 0.00 -1.22 -1.12 121.76 126.81 1ckr s ALA 404 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1ckr s ALA 404 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1ckr s ALA 404 CO 0.00 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 174.00 1ckr n GLY 405 N 4.94 0.46 2.35 0.00 0.00 -1.25 -4.51 105.19 107.19 1ckr n GLY 405 Ca 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.69 -1.49 3.31 -0.02 0.00 -0.28 -5.07 105.19 98.95 1ckr n GLY 406 Ca -0.00 0.69 -0.10 0.00 0.00 0.00 0.00 46.02 46.60 1ckr n GLY 406 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ckr s VAL 407 N -1.88 0.08 -0.54 1.61 -7.23 -1.25 -4.33 120.40 106.85 1ckr s VAL 407 Ca 0.14 -0.63 -0.28 0.00 -1.81 0.00 0.00 61.98 59.40 1ckr s VAL 407 Cb -0.04 -1.18 0.03 0.00 0.56 0.00 0.00 36.38 35.76 1ckr s VAL 407 CO 0.49 -0.35 1.12 -0.32 -0.31 0.00 0.00 175.10 175.74 1ckr s MET 408 N -3.79 3.54 -0.15 4.82 1.75 -1.22 -0.89 119.30 123.36 1ckr s MET 408 Ca 0.03 0.24 -0.14 0.00 -1.25 0.00 0.00 55.69 54.57 1ckr s MET 408 Cb 0.02 -3.99 -0.05 0.00 2.84 0.00 0.00 34.83 33.66 1ckr s MET 408 CO -0.12 -1.55 0.29 0.99 -0.65 0.00 0.00 175.02 173.98 1ckr s THR 409 N 4.61 5.30 -0.23 10.11 2.01 -0.95 -4.74 115.64 131.75 1ckr s THR 409 Ca 0.42 0.55 -0.00 0.00 0.31 0.00 0.00 61.69 62.97 1ckr s THR 409 Cb -0.08 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.86 1ckr s THR 409 CO 0.26 0.41 -0.02 0.54 -0.69 0.00 0.00 174.62 175.13 1ckr s VAL 410 N 0.30 1.18 -0.26 3.82 0.11 -1.26 -2.71 120.40 121.58 1ckr s VAL 410 Ca 0.17 -1.03 0.19 0.00 -2.93 0.00 0.00 61.98 58.38 1ckr s VAL 410 Cb -0.13 -1.55 0.11 0.00 -1.53 0.00 0.00 36.38 33.28 1ckr s VAL 410 CO 0.04 -0.17 1.32 0.17 -3.33 0.00 0.00 175.10 173.13 1ckr h LEU 411 N 8.05 0.00 0.00 2.54 8.10 -1.97 -3.47 115.31 128.56 1ckr h LEU 411 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.82 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 0.39 0.25 0.00 -0.38 -4.11 0.00 0.00 178.44 174.59 1ckr n ILE 412 N -3.02 0.00 -3.44 0.15 2.08 -1.26 -5.02 119.36 108.85 1ckr n ILE 412 Ca 0.00 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 1ckr n ILE 412 Cb 0.65 -1.80 -0.02 0.00 -0.75 0.00 0.00 39.64 37.72 1ckr n ILE 412 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1ckr s LYS 413 N -0.21 1.15 0.19 0.38 0.00 -1.26 -4.93 119.74 115.06 1ckr s LYS 413 Ca 0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 55.97 55.23 1ckr s LYS 413 Cb 0.00 0.53 -0.11 0.00 0.00 0.00 0.00 37.83 38.26 1ckr s LYS 413 CO 0.00 -0.50 1.60 0.50 0.00 0.00 0.00 175.35 176.95 1ckr s ARG 414 N -3.58 4.19 -1.12 1.78 6.06 -1.26 -3.14 118.95 121.88 1ckr s ARG 414 Ca 0.02 2.43 -0.14 0.00 -2.50 0.00 0.00 55.73 55.54 1ckr s ARG 414 Cb -0.01 -3.13 -0.03 0.00 0.06 0.00 0.00 34.95 31.85 1ckr s ARG 414 CO -0.12 -0.64 0.83 0.09 -2.50 0.00 0.00 175.30 172.96 1ckr n ASN 415 N 3.82 -5.41 -4.69 -2.12 3.02 -1.15 -4.97 115.26 103.76 1ckr n ASN 415 Ca 0.14 -0.90 -0.41 0.00 -0.03 0.00 0.00 54.58 53.38 1ckr n ASN 415 Cb 0.38 -4.03 -0.04 0.00 -0.61 0.00 0.00 39.78 35.48 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 -3.46 4.94 -0.80 3.41 -1.32 -1.05 -4.83 115.64 112.53 1ckr s THR 416 Ca 0.43 1.63 -0.25 0.00 -1.21 0.00 0.00 61.69 62.29 1ckr s THR 416 Cb -0.12 -4.13 -0.04 0.00 -1.51 0.00 0.00 72.50 66.70 1ckr s THR 416 CO 0.82 0.12 1.95 -0.89 -2.21 0.00 0.00 174.62 174.41 1ckr s THR 417 N 1.51 3.39 0.24 5.08 2.01 -1.26 -1.76 115.64 124.85 1ckr s THR 417 Ca 0.40 -0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.12 1ckr s THR 417 Cb -0.18 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.34 1ckr s THR 417 CO 0.17 -0.88 0.58 0.27 -0.69 0.00 0.00 174.62 174.07 1ckr s ILE 418 N 10.00 4.88 0.51 1.82 -4.36 -0.54 -4.38 121.20 129.12 1ckr s ILE 418 Ca 0.71 0.60 -0.22 0.00 -0.26 0.00 0.00 60.65 61.47 1ckr s ILE 418 Cb -0.09 -3.63 -0.06 0.00 1.25 0.00 0.00 42.46 39.93 1ckr s ILE 418 CO 0.07 -0.06 1.23 -2.16 0.24 0.00 0.00 174.94 174.26 1ckr s PRO 419 N -2.76 3.45 -0.17 0.37 0.04 -1.26 -4.63 135.00 130.03 1ckr s PRO 419 Ca 0.48 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 63.36 1ckr s PRO 419 Cb -0.11 -2.28 0.07 0.00 0.04 0.00 0.00 34.50 32.21 1ckr s PRO 419 CO 0.20 -0.85 0.39 -0.08 0.04 0.00 0.00 177.00 176.71 1ckr s THR 420 N -1.48 -0.21 -0.49 1.26 -1.32 -1.10 -4.94 115.64 107.36 1ckr s THR 420 Ca 0.68 0.13 -0.13 0.00 -1.21 0.00 0.00 61.69 61.16 1ckr s THR 420 Cb -0.32 -0.60 0.11 0.00 -1.51 0.00 0.00 72.50 70.18 1ckr s THR 420 CO 0.38 0.05 0.41 -0.75 -2.21 0.00 0.00 174.62 172.50 1ckr s LYS 421 N 1.77 2.77 -0.22 7.08 2.20 -1.25 -1.04 119.74 131.05 1ckr s LYS 421 Ca -0.07 -1.66 -0.04 0.00 -0.36 0.00 0.00 55.97 53.84 1ckr s LYS 421 Cb -0.10 -4.09 -0.01 0.00 -1.51 0.00 0.00 37.83 32.12 1ckr s LYS 421 CO -0.12 -1.20 -0.03 -0.65 -0.36 0.00 0.00 175.35 172.98 1ckr s GLN 422 N 1.50 3.42 -0.50 4.03 -0.21 -0.34 -4.94 119.66 122.61 1ckr s GLN 422 Ca 0.04 -0.61 -0.14 0.00 0.02 0.00 0.00 55.36 54.67 1ckr s GLN 422 Cb -0.27 -3.02 0.11 0.00 1.00 0.00 0.00 33.01 30.83 1ckr s GLN 422 CO 0.02 -0.16 0.43 0.95 -2.12 0.00 0.00 175.29 174.42 1ckr s THR 423 N 1.39 4.95 -0.38 -0.19 -4.23 -1.26 -0.84 115.64 115.08 1ckr s THR 423 Ca 0.05 -1.47 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 1ckr s THR 423 Cb -0.14 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.56 1ckr s THR 423 CO -0.02 -0.77 0.33 -1.58 -0.54 0.00 0.00 174.62 172.04 1ckr s GLN 424 N 1.55 3.29 -0.21 3.99 2.00 -0.91 -4.97 119.66 124.40 1ckr s GLN 424 Ca 0.04 -0.70 -0.25 0.00 -2.00 0.00 0.00 55.36 52.44 1ckr s GLN 424 Cb -0.28 -3.89 -0.01 0.00 0.80 0.00 0.00 33.01 29.64 1ckr s GLN 424 CO 0.03 -0.64 0.85 0.99 -0.50 0.00 0.00 175.29 176.02 1ckr s THR 425 N 1.89 4.84 0.23 -0.34 2.01 -1.26 -1.11 115.64 121.90 1ckr s THR 425 Ca 0.09 1.63 0.07 0.00 0.31 0.00 0.00 61.69 63.79 1ckr s THR 425 Cb -0.17 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 1ckr s THR 425 CO 0.11 -0.04 0.12 -0.36 -0.69 0.00 0.00 174.62 173.76 1ckr s PHE 426 N 2.60 2.99 0.00 4.92 0.40 0.10 -4.97 117.98 124.03 1ckr s PHE 426 Ca 0.37 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 1ckr s PHE 426 Cb -0.16 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.01 1ckr s PHE 426 CO 0.09 0.54 0.00 -2.37 0.70 0.00 0.00 175.22 174.19 1ckr n THR 427 N -0.87 0.00 -4.06 0.64 5.66 0.74 -0.44 114.28 115.95 1ckr n THR 427 Ca -0.08 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.79 1ckr n THR 427 Cb 0.57 -0.37 -0.13 0.00 -1.55 0.00 0.00 70.33 68.86 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 1.80 0.37 -0.11 1.09 -4.23 -0.84 -3.96 115.64 109.76 1ckr s THR 428 Ca 0.00 -0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 59.76 1ckr s THR 428 Cb 0.00 -0.41 -0.06 0.00 1.34 0.00 0.00 72.50 73.37 1ckr s THR 428 CO 0.00 -0.21 0.14 0.22 -0.54 0.00 0.00 174.62 174.22 1ckr h TYR 429 N 5.15 0.00 -3.82 3.99 3.20 -1.91 -0.85 116.97 122.73 1ckr h TYR 429 Ca -0.32 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.02 1ckr h TYR 429 Cb 1.20 0.00 0.19 0.00 1.54 0.00 0.00 36.73 39.66 1ckr h TYR 429 CO 0.55 0.23 -0.03 0.43 -1.64 0.00 0.00 178.16 177.70 1ckr n SER 430 N -4.72 -0.18 -4.66 -2.11 7.64 -1.26 -3.83 113.62 104.50 1ckr n SER 430 Ca -0.03 0.52 -0.43 0.00 1.01 0.00 0.00 58.87 59.94 1ckr n SER 430 Cb 0.13 -1.38 -0.02 0.00 -1.01 0.00 0.00 64.21 61.93 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 -2.00 6.81 -0.12 6.43 1.11 -1.26 -3.77 116.67 123.88 1ckr s ASP 431 Ca 0.68 1.85 -0.08 0.00 0.18 0.00 0.00 52.55 55.17 1ckr s ASP 431 Cb -0.28 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.20 1ckr s ASP 431 CO 0.57 -0.85 0.16 0.59 1.18 0.00 0.00 175.17 176.82 1ckr n ASN 432 N 6.92 -2.14 -2.97 0.27 3.02 -0.50 -4.89 115.26 114.96 1ckr n ASN 432 Ca 0.15 1.17 -0.03 0.00 -0.03 0.00 0.00 54.58 55.84 1ckr n ASN 432 Cb 0.44 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.19 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 1.40 -1.72 -2.80 3.52 7.27 -1.26 -4.95 117.38 118.84 1ckr n GLN 433 Ca -0.28 1.73 -0.42 0.00 0.07 0.00 0.00 57.00 58.10 1ckr n GLN 433 Cb 0.43 -5.70 -0.03 0.00 2.41 0.00 0.00 30.24 27.34 1ckr n GLN 433 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1ckr s PRO 434 N -2.84 4.07 0.15 3.69 0.02 -1.26 -4.91 135.00 133.91 1ckr s PRO 434 Ca 0.10 0.90 -0.31 0.00 0.02 0.00 0.00 61.00 61.71 1ckr s PRO 434 Cb -0.03 -3.71 -0.08 0.00 0.02 0.00 0.00 34.50 30.70 1ckr s PRO 434 CO 0.75 -0.72 1.39 0.20 -0.33 0.00 0.00 177.00 178.29 1ckr s GLY 435 N 1.53 2.08 -0.10 0.52 0.00 -1.26 -4.90 107.32 105.19 1ckr s GLY 435 Ca 0.38 1.15 -0.00 0.00 0.00 0.00 0.00 44.72 46.25 1ckr s GLY 435 CO 0.12 2.30 -0.08 -1.34 0.00 0.00 0.00 173.10 174.09 1ckr s VAL 436 N 0.77 3.57 -0.25 1.40 -7.23 -0.45 -4.94 120.40 113.27 1ckr s VAL 436 Ca 0.63 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 60.08 1ckr s VAL 436 Cb -0.38 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 1ckr s VAL 436 CO 0.33 0.55 0.67 -0.22 -0.31 0.00 0.00 175.10 176.13 1ckr s LEU 437 N -0.26 4.07 -0.22 1.32 2.96 -1.21 -1.11 118.68 124.24 1ckr s LEU 437 Ca 0.03 0.77 -0.07 0.00 -0.22 0.00 0.00 54.13 54.64 1ckr s LEU 437 Cb -0.13 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1ckr s LEU 437 CO 0.03 -0.40 0.06 -0.63 -1.32 0.00 0.00 176.35 174.08 1ckr s ILE 438 N 2.58 4.43 -0.25 6.68 -1.09 0.50 -4.67 121.20 129.37 1ckr s ILE 438 Ca 0.28 -0.14 -0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1ckr s ILE 438 Cb -0.15 -3.03 0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1ckr s ILE 438 CO 0.08 0.39 -0.08 -1.10 -1.23 0.00 0.00 174.94 173.01 1ckr s GLN 439 N 1.09 2.63 0.12 2.79 -0.21 -1.23 -1.05 119.66 123.80 1ckr s GLN 439 Ca 0.04 -1.11 -0.28 0.00 0.02 0.00 0.00 55.36 54.04 1ckr s GLN 439 Cb -0.14 -2.95 -0.06 0.00 1.00 0.00 0.00 33.01 30.85 1ckr s GLN 439 CO 0.03 -0.46 0.87 0.08 -2.12 0.00 0.00 175.29 173.69 1ckr s VAL 440 N 1.25 4.49 -0.06 1.09 1.01 -1.19 -0.49 120.40 126.51 1ckr s VAL 440 Ca -0.03 1.88 0.01 0.00 0.00 0.00 0.00 61.98 63.84 1ckr s VAL 440 Cb -0.18 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1ckr s VAL 440 CO -0.05 0.39 -0.05 -0.31 0.00 0.00 0.00 175.10 175.09 1ckr s TYR 441 N -0.38 0.86 -0.51 5.22 1.51 -0.94 -0.91 117.35 122.20 1ckr s TYR 441 Ca 0.42 -0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 56.00 1ckr s TYR 441 Cb -0.23 -0.78 0.06 0.00 -0.11 0.00 0.00 41.96 40.90 1ckr s TYR 441 CO 0.27 -0.25 0.66 -2.00 -1.11 0.00 0.00 175.55 173.12 1ckr s GLU 442 N 1.17 3.15 0.00 -0.62 2.12 -0.03 -2.74 118.70 121.75 1ckr s GLU 442 Ca -0.07 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.45 1ckr s GLU 442 Cb -0.14 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.16 1ckr s GLU 442 CO -0.01 -1.25 0.00 0.41 -0.54 0.00 0.00 175.26 173.87 1ckr n GLY 443 N 5.16 2.60 0.00 -1.50 0.00 -1.23 -1.38 105.19 108.84 1ckr n GLY 443 Ca -0.05 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1ckr n GLY 443 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ckr n GLU 444 N 0.96 0.00 0.00 1.61 0.00 -1.26 -4.18 120.64 117.77 1ckr n GLU 444 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ckr n GLU 444 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ckr n GLU 444 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1ckr n ARG 445 N 0.00 0.00 -2.62 3.44 0.63 -1.26 -4.64 116.66 112.20 1ckr n ARG 445 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 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 -1.00 3.75 -3.23 5.13 0.00 -1.26 -4.48 120.51 119.41 1ckr n ALA 446 Ca 0.00 -3.95 -0.01 0.00 0.00 0.00 0.00 53.44 49.48 1ckr n ALA 446 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 19.45 15.98 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 7.60 0.30 -2.55 0.00 3.85 -1.26 -4.76 117.12 120.29 1ckr n MET 447 Ca 0.46 -0.65 -0.16 0.00 -1.00 0.00 0.00 57.70 56.36 1ckr n MET 447 Cb 0.45 0.78 0.02 0.00 -1.05 0.00 0.00 33.22 33.41 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 -0.15 1.67 0.00 3.17 -2.24 -1.26 -3.39 114.28 112.08 1ckr n THR 448 Ca -0.02 -3.81 0.00 0.00 -2.27 0.00 0.00 64.05 57.95 1ckr n THR 448 Cb 0.17 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.35 1.83 -0.87 -0.78 0.00 -1.26 -4.87 118.16 111.87 1ckr n LYS 449 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.43 1ckr n LYS 449 Cb 0.78 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.75 1ckr n LYS 449 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ckr n ASP 450 N 0.00 5.68 -4.72 3.14 8.00 -1.26 -4.94 116.55 122.45 1ckr n ASP 450 Ca 0.00 -2.66 -0.39 0.00 0.71 0.00 0.00 54.79 52.45 1ckr n ASP 450 Cb 0.00 -1.22 -0.05 0.00 -0.02 0.00 0.00 41.12 39.82 1ckr n ASP 450 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ckr s ASN 451 N 1.44 6.82 -0.50 -2.24 6.03 -1.26 -4.67 114.94 120.56 1ckr s ASN 451 Ca 0.35 0.98 -0.24 0.00 -1.03 0.00 0.00 52.86 52.92 1ckr s ASN 451 Cb 0.20 -2.34 0.03 0.00 -3.03 0.00 0.00 41.25 36.11 1ckr s ASN 451 CO -0.03 -0.06 0.88 0.20 -2.03 0.00 0.00 177.10 176.05 1ckr s ASN 452 N 0.73 6.39 -0.20 3.54 0.01 -0.48 -4.74 114.94 120.19 1ckr s ASN 452 Ca 0.31 -0.19 -0.29 0.00 -0.71 0.00 0.00 52.86 51.98 1ckr s ASN 452 Cb -0.16 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1ckr s ASN 452 CO 0.14 -1.08 1.87 -0.22 -1.51 0.00 0.00 177.10 176.30 1ckr s LEU 453 N 3.65 3.77 -0.16 0.60 0.20 -1.26 -0.85 118.68 124.63 1ckr s LEU 453 Ca 0.31 1.78 0.00 0.00 0.69 0.00 0.00 54.13 56.92 1ckr s LEU 453 Cb -0.12 -3.52 0.03 0.00 -0.43 0.00 0.00 46.19 42.14 1ckr s LEU 453 CO 0.22 -1.52 -0.12 -0.76 -0.29 0.00 0.00 176.35 173.88 1ckr s LEU 454 N 6.31 1.77 0.00 -0.68 1.02 -0.09 -4.98 118.68 122.03 1ckr s LEU 454 Ca 0.84 -0.58 0.00 0.00 0.02 0.00 0.00 54.13 54.41 1ckr s LEU 454 Cb -0.29 -1.14 0.00 0.00 0.02 0.00 0.00 46.19 44.78 1ckr s LEU 454 CO 0.34 -0.09 0.00 0.61 0.02 0.00 0.00 176.35 177.22 1ckr n GLY 455 N 4.78 1.32 1.70 -3.19 0.00 -1.26 -3.14 105.19 105.39 1ckr n GLY 455 Ca -0.16 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.81 -3.69 1.61 2.85 -1.26 -4.94 118.16 107.92 1ckr n LYS 456 Ca 0.00 3.61 -0.11 0.00 -1.05 0.00 0.00 58.31 60.75 1ckr n LYS 456 Cb 0.00 -4.13 -0.06 0.00 -0.65 0.00 0.00 35.03 30.19 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 -3.88 -0.18 -0.14 5.58 -0.71 -0.21 -5.00 117.98 113.44 1ckr s PHE 457 Ca 0.00 -0.01 -0.01 0.00 -1.04 0.00 0.00 56.93 55.87 1ckr s PHE 457 Cb 0.00 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 1ckr s PHE 457 CO 0.00 -0.60 -0.10 -2.00 -1.34 0.00 0.00 175.22 171.17 1ckr s GLU 458 N -3.07 3.45 -0.18 1.99 2.12 -1.26 -0.37 118.70 121.38 1ckr s GLU 458 Ca -0.01 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.62 1ckr s GLU 458 Cb 0.01 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 1ckr s GLU 458 CO -0.07 0.19 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.67 1ckr s LEU 459 N 0.42 3.36 -0.08 2.70 2.96 -0.26 -5.00 118.68 122.78 1ckr s LEU 459 Ca -0.08 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1ckr s LEU 459 Cb -0.15 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 44.75 1ckr s LEU 459 CO 0.04 0.13 0.15 0.42 -1.32 0.00 0.00 176.35 175.77 1ckr s THR 460 N 0.58 -0.24 0.00 3.68 -4.23 -1.26 -1.34 115.64 112.84 1ckr s THR 460 Ca -0.01 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 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 0.02 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1ckr n GLY 461 N 5.32 -1.80 3.82 3.99 0.00 -1.26 -5.08 105.19 110.17 1ckr n GLY 461 Ca -0.04 0.67 -0.35 0.00 0.00 0.00 0.00 46.02 46.30 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 4.53 -0.22 -0.61 -1.09 -1.26 -4.84 121.20 117.71 1ckr s ILE 462 Ca 0.00 1.29 -0.29 0.00 -2.23 0.00 0.00 60.65 59.42 1ckr s ILE 462 Cb 0.00 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1ckr s ILE 462 CO 0.00 0.05 1.72 -2.16 -1.23 0.00 0.00 174.94 173.32 1ckr s PRO 463 N -2.36 3.68 -0.77 2.79 0.04 -1.26 -4.74 135.00 132.38 1ckr s PRO 463 Ca 0.49 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.97 1ckr s PRO 463 Cb -0.15 -4.10 0.03 0.00 0.04 0.00 0.00 34.50 30.33 1ckr s PRO 463 CO 0.20 -1.44 1.29 -1.25 0.04 0.00 0.00 177.00 175.84 1ckr s PRO 464 N 4.98 3.23 0.51 0.56 0.04 -1.26 -4.35 135.00 138.71 1ckr s PRO 464 Ca 0.77 -0.35 0.03 0.00 0.04 0.00 0.00 61.00 61.49 1ckr s PRO 464 Cb -0.26 -4.31 -0.00 0.00 0.04 0.00 0.00 34.50 29.97 1ckr s PRO 464 CO 0.31 -2.15 0.13 0.00 0.04 0.00 0.00 177.00 175.34 1ckr s ALA 465 N 5.62 4.13 -0.62 8.56 0.00 -1.26 -4.88 121.76 133.30 1ckr s ALA 465 Ca 0.36 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 51.30 1ckr s ALA 465 Cb -0.07 -0.21 0.12 0.00 0.00 0.00 0.00 23.12 22.96 1ckr s ALA 465 CO 0.12 -0.16 0.69 -1.25 0.00 0.00 0.00 175.76 175.16 1ckr s PRO 466 N -3.99 3.12 0.01 0.00 0.04 -1.26 -1.42 135.00 131.51 1ckr s PRO 466 Ca 0.18 -1.55 -0.00 0.00 0.04 0.00 0.00 61.00 59.66 1ckr s PRO 466 Cb 0.01 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1ckr s PRO 466 CO 0.10 -1.48 0.01 -2.13 0.04 0.00 0.00 177.00 173.54 1ckr n ARG 467 N 5.86 -4.73 0.00 4.56 3.00 -1.25 -4.36 116.66 119.74 1ckr n ARG 467 Ca -0.06 3.48 0.00 0.00 -0.00 0.00 0.00 57.85 61.27 1ckr n ARG 467 Cb 0.43 -4.37 0.00 0.00 0.00 0.00 0.00 32.46 28.51 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 1.67 1.51 0.13 5.14 0.00 -0.33 -4.84 105.19 108.47 1ckr n GLY 468 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.90 1.72 -1.76 1.61 0.31 -1.26 -4.63 118.33 112.42 1ckr n VAL 469 Ca 0.00 -0.47 -0.41 0.00 -0.01 0.00 0.00 64.34 63.45 1ckr n VAL 469 Cb 0.00 -1.83 -0.01 0.00 -0.91 0.00 0.00 33.84 31.09 1ckr n VAL 469 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1ckr s PRO 470 N -2.50 4.10 0.15 5.55 0.02 -1.26 -4.84 135.00 136.22 1ckr s PRO 470 Ca -0.24 2.60 -0.16 0.00 0.02 0.00 0.00 61.00 63.22 1ckr s PRO 470 Cb 0.06 -3.00 0.03 0.00 0.02 0.00 0.00 34.50 31.62 1ckr s PRO 470 CO 0.72 -0.62 0.43 1.14 -0.33 0.00 0.00 177.00 178.34 1ckr s GLN 471 N -1.06 1.18 -0.02 5.54 -2.07 -1.26 -1.98 119.66 119.98 1ckr s GLN 471 Ca 0.60 -0.80 -0.02 0.00 -1.82 0.00 0.00 55.36 53.33 1ckr s GLN 471 Cb -0.48 0.48 0.01 0.00 -1.09 0.00 0.00 33.01 31.93 1ckr s GLN 471 CO 0.54 -0.47 0.05 0.96 -1.32 0.00 0.00 175.29 175.04 1ckr s ILE 472 N -3.84 -0.00 -0.51 3.63 -0.00 0.41 -4.41 121.20 116.48 1ckr s ILE 472 Ca 0.06 0.02 -0.17 0.00 -0.00 0.00 0.00 60.65 60.56 1ckr s ILE 472 Cb 0.01 -0.08 0.09 0.00 -0.00 0.00 0.00 42.46 42.48 1ckr s ILE 472 CO -0.08 0.01 0.50 -0.70 -0.00 0.00 0.00 174.94 174.67 1ckr s GLU 473 N 0.10 3.02 -0.84 0.37 2.12 0.59 0.02 118.70 124.07 1ckr s GLU 473 Ca -0.01 -1.35 -0.25 0.00 0.36 0.00 0.00 54.97 53.72 1ckr s GLU 473 Cb -0.01 -4.18 0.03 0.00 0.26 0.00 0.00 34.13 30.23 1ckr s GLU 473 CO -0.00 -1.20 1.40 0.08 -0.54 0.00 0.00 175.26 175.00 1ckr s VAL 474 N 1.94 3.76 -0.27 3.70 1.01 -0.27 -0.93 120.40 129.35 1ckr s VAL 474 Ca 0.07 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1ckr s VAL 474 Cb -0.25 -4.87 -0.04 0.00 0.00 0.00 0.00 36.38 31.22 1ckr s VAL 474 CO 0.07 -1.79 0.34 -0.89 0.00 0.00 0.00 175.10 172.82 1ckr s THR 475 N 5.84 5.20 -0.48 3.92 2.01 0.42 -2.13 115.64 130.42 1ckr s THR 475 Ca 0.42 0.50 -0.11 0.00 0.31 0.00 0.00 61.69 62.81 1ckr s THR 475 Cb -0.05 -3.67 0.11 0.00 0.01 0.00 0.00 72.50 68.90 1ckr s THR 475 CO 0.06 0.17 0.38 -0.36 -0.69 0.00 0.00 174.62 174.17 1ckr s PHE 476 N 2.01 3.36 -0.57 4.92 0.40 -0.02 0.11 117.98 128.19 1ckr s PHE 476 Ca 0.14 -1.63 -0.14 0.00 -0.60 0.00 0.00 56.93 54.70 1ckr s PHE 476 Cb -0.16 -3.49 0.14 0.00 0.51 0.00 0.00 43.02 40.03 1ckr s PHE 476 CO 0.10 -0.97 0.50 0.34 0.70 0.00 0.00 175.22 175.89 1ckr s ASP 477 N 2.83 6.13 0.02 1.36 2.15 -0.72 -1.20 116.67 127.24 1ckr s ASP 477 Ca 0.05 -2.00 -0.23 0.00 0.43 0.00 0.00 52.55 50.80 1ckr s ASP 477 Cb -0.27 -2.15 -0.05 0.00 -0.30 0.00 0.00 42.92 40.15 1ckr s ASP 477 CO 0.01 -0.76 0.68 -0.63 -0.17 0.00 0.00 175.17 174.30 1ckr s ILE 478 N 1.25 4.82 0.23 4.11 1.01 -0.20 -0.89 121.20 131.52 1ckr s ILE 478 Ca 0.07 1.44 -0.13 0.00 0.00 0.00 0.00 60.65 62.02 1ckr s ILE 478 Cb -0.26 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.12 1ckr s ILE 478 CO -0.00 0.39 0.61 -1.81 0.00 0.00 0.00 174.94 174.13 1ckr s ASP 479 N -0.14 6.74 0.59 3.58 1.01 0.62 -2.69 116.67 126.39 1ckr s ASP 479 Ca 0.35 1.09 0.30 0.00 0.71 0.00 0.00 52.55 54.99 1ckr s ASP 479 Cb -0.19 -2.29 1.34 0.00 1.01 0.00 0.00 42.92 42.78 1ckr s ASP 479 CO 0.20 -0.06 1.72 0.00 0.21 0.00 0.00 175.17 177.24 1ckr h ALA 480 N 2.77 2.52 -0.68 5.23 0.00 -1.87 -2.26 119.26 124.97 1ckr h ALA 480 Ca -0.48 -0.03 -0.47 0.00 0.00 0.00 0.00 54.91 53.94 1ckr h ALA 480 Cb 1.18 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 1ckr h ALA 480 CO 0.67 -1.12 0.60 0.09 0.00 0.00 0.00 179.25 179.50 1ckr n ASN 481 N -3.62 6.96 -3.92 0.00 3.02 -1.26 -4.81 115.26 111.63 1ckr n ASN 481 Ca 0.15 -3.35 -0.25 0.00 -0.03 0.00 0.00 54.58 51.09 1ckr n ASN 481 Cb 1.00 -1.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.14 -0.25 3.23 7.41 0.00 -0.87 -4.83 105.19 109.74 1ckr n GLY 482 Ca 0.43 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.86 3.17 -0.47 -0.61 1.01 -1.08 -4.37 121.20 114.99 1ckr s ILE 483 Ca 0.06 -1.02 -0.26 0.00 0.00 0.00 0.00 60.65 59.43 1ckr s ILE 483 Cb -0.03 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 39.80 1ckr s ILE 483 CO 0.88 0.10 0.96 -0.22 0.00 0.00 0.00 174.94 176.66 1ckr s LEU 484 N 1.35 3.94 -1.12 2.97 0.20 -0.82 -0.27 118.68 124.92 1ckr s LEU 484 Ca -0.00 0.17 -0.15 0.00 0.69 0.00 0.00 54.13 54.83 1ckr s LEU 484 Cb -0.17 -3.25 0.16 0.00 -0.43 0.00 0.00 46.19 42.49 1ckr s LEU 484 CO -0.02 -1.09 1.33 0.21 -0.29 0.00 0.00 176.35 176.49 1ckr s ASN 485 N 2.31 6.95 -0.28 3.68 3.84 -0.07 -0.57 114.94 130.81 1ckr s ASN 485 Ca 0.39 -2.74 -0.22 0.00 0.21 0.00 0.00 52.86 50.51 1ckr s ASN 485 Cb -0.10 -2.39 -0.01 0.00 -0.55 0.00 0.00 41.25 38.20 1ckr s ASN 485 CO 0.27 -0.82 0.69 -0.69 -2.79 0.00 0.00 177.10 173.76 1ckr s VAL 486 N 1.82 4.91 0.28 -5.21 1.01 0.04 -1.76 120.40 121.49 1ckr s VAL 486 Ca 0.39 1.14 0.10 0.00 0.00 0.00 0.00 61.98 63.61 1ckr s VAL 486 Cb -0.04 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1ckr s VAL 486 CO -0.03 -0.08 -0.05 -0.55 0.00 0.00 0.00 175.10 174.39 1ckr s SER 487 N 1.52 4.27 -0.07 3.32 0.15 0.12 -1.21 113.70 121.79 1ckr s SER 487 Ca 0.28 -0.78 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 1ckr s SER 487 Cb -0.15 -0.67 0.03 0.00 -1.71 0.00 0.00 66.02 63.52 1ckr s SER 487 CO 0.10 -0.02 0.02 0.00 1.20 0.00 0.00 173.24 174.53 1ckr s ALA 488 N -2.39 0.61 -0.17 5.45 0.00 -0.74 -0.44 121.76 124.08 1ckr s ALA 488 Ca 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 1ckr s ALA 488 Cb -0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 1ckr s ALA 488 CO 0.19 -0.50 -0.10 0.08 0.00 0.00 0.00 175.76 175.42 1ckr s VAL 489 N 2.01 3.11 -1.15 0.00 1.01 -0.11 -2.39 120.40 122.88 1ckr s VAL 489 Ca 0.05 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 1ckr s VAL 489 Cb -0.12 -2.35 0.11 0.00 0.00 0.00 0.00 36.38 34.01 1ckr s VAL 489 CO -0.05 0.49 1.49 -1.81 0.00 0.00 0.00 175.10 175.21 1ckr s ASP 490 N 0.87 6.81 0.40 3.32 1.01 0.81 -0.30 116.67 129.59 1ckr s ASP 490 Ca -0.03 -2.36 0.08 0.00 0.71 0.00 0.00 52.55 50.96 1ckr s ASP 490 Cb -0.15 -2.49 0.82 0.00 1.01 0.00 0.00 42.92 42.11 1ckr s ASP 490 CO 0.00 -1.09 1.97 0.50 0.21 0.00 0.00 175.17 176.77 1ckr h LYS 491 N 8.08 0.36 -0.70 8.23 3.64 -1.83 -0.40 116.57 133.96 1ckr h LYS 491 Ca 0.31 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1ckr h LYS 491 Cb 0.92 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1ckr h LYS 491 CO 1.33 0.37 0.46 1.03 -2.27 0.00 0.00 179.45 180.36 1ckr h SER 492 N 0.35 0.80 0.54 4.20 0.87 -1.89 -1.81 113.55 116.61 1ckr h SER 492 Ca 0.08 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1ckr h SER 492 Cb 0.20 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ckr h SER 492 CO 0.00 0.59 0.00 1.07 -0.53 0.00 0.00 176.83 177.96 1ckr n THR 493 N -4.59 0.03 -3.70 2.23 5.66 -1.02 -5.00 114.28 107.88 1ckr n THR 493 Ca 0.06 0.01 -0.33 0.00 -3.05 0.00 0.00 64.05 60.74 1ckr n THR 493 Cb 0.02 -0.52 0.04 0.00 -1.55 0.00 0.00 70.33 68.32 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 1.21 -0.99 2.72 1.09 0.00 -0.20 -5.02 105.19 104.00 1ckr n GLY 494 Ca 0.14 0.45 -0.18 0.00 0.00 0.00 0.00 46.02 46.44 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 -6.06 -0.06 0.15 1.61 0.00 -0.95 -4.98 119.74 109.45 1ckr s LYS 495 Ca 0.48 0.29 0.06 0.00 0.00 0.00 0.00 55.97 56.80 1ckr s LYS 495 Cb -0.18 -0.38 -0.04 0.00 0.00 0.00 0.00 37.83 37.23 1ckr s LYS 495 CO 0.87 -0.25 -0.13 -1.83 0.00 0.00 0.00 175.35 174.01 1ckr s GLU 496 N 1.64 1.10 -0.03 1.78 -1.05 -1.26 -0.13 118.70 120.74 1ckr s GLU 496 Ca -0.02 -1.39 0.03 0.00 -0.15 0.00 0.00 54.97 53.44 1ckr s GLU 496 Cb -0.12 -0.83 0.00 0.00 -0.44 0.00 0.00 34.13 32.73 1ckr s GLU 496 CO -0.03 0.14 -0.10 1.21 0.95 0.00 0.00 175.26 177.43 1ckr s ASN 497 N -2.90 1.27 0.02 0.83 2.47 -1.01 -4.98 114.94 110.64 1ckr s ASN 497 Ca 0.15 -0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.23 1ckr s ASN 497 Cb -0.01 -0.33 -0.02 0.00 -1.45 0.00 0.00 41.25 39.44 1ckr s ASN 497 CO 0.03 0.07 -0.02 -1.59 -3.72 0.00 0.00 177.10 171.87 1ckr s LYS 498 N 0.16 0.24 -0.08 0.43 -2.85 -1.26 -1.80 119.74 114.59 1ckr s LYS 498 Ca -0.03 -0.47 0.05 0.00 -1.00 0.00 0.00 55.97 54.52 1ckr s LYS 498 Cb -0.09 0.07 -0.01 0.00 -2.06 0.00 0.00 37.83 35.75 1ckr s LYS 498 CO 0.01 -0.03 -0.24 -1.50 0.10 0.00 0.00 175.35 173.68 1ckr s ILE 499 N -1.10 2.14 -0.48 3.79 2.07 -0.35 -4.96 121.20 122.30 1ckr s ILE 499 Ca -0.12 -1.02 -0.14 0.00 -1.41 0.00 0.00 60.65 57.96 1ckr s ILE 499 Cb -0.08 -1.80 0.09 0.00 0.13 0.00 0.00 42.46 40.81 1ckr s ILE 499 CO -0.01 0.56 0.40 -0.89 -1.91 0.00 0.00 174.94 173.10 1ckr s THR 500 N 0.07 5.03 -0.38 4.00 2.01 -1.26 -0.78 115.64 124.33 1ckr s THR 500 Ca -0.10 -1.26 -0.22 0.00 0.31 0.00 0.00 61.69 60.42 1ckr s THR 500 Cb -0.16 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.28 1ckr s THR 500 CO 0.06 -0.65 0.70 -0.63 -0.69 0.00 0.00 174.62 173.41 1ckr s ILE 501 N 1.59 4.80 -0.10 1.82 1.01 0.27 -4.93 121.20 125.66 1ckr s ILE 501 Ca 0.04 0.59 -0.23 0.00 0.00 0.00 0.00 60.65 61.05 1ckr s ILE 501 Cb -0.26 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 1ckr s ILE 501 CO 0.05 -0.44 0.70 0.42 0.00 0.00 0.00 174.94 175.67 1ckr s THR 502 N 2.91 5.03 -1.33 2.92 -4.23 -1.26 -1.95 115.64 117.73 1ckr s THR 502 Ca 0.27 1.41 -0.12 0.00 -1.18 0.00 0.00 61.69 62.07 1ckr s THR 502 Cb -0.14 -4.03 0.12 0.00 1.34 0.00 0.00 72.50 69.79 1ckr s THR 502 CO 0.17 0.21 1.91 -3.20 -0.54 0.00 0.00 174.62 173.17 1ckr n ASN 503 N 4.10 4.70 -0.12 3.99 2.85 -1.26 -4.63 115.26 124.88 1ckr n ASN 503 Ca -0.01 -2.99 -0.26 0.00 -0.11 0.00 0.00 54.58 51.21 1ckr n ASN 503 Cb 0.51 -1.58 -0.09 0.00 1.24 0.00 0.00 39.78 39.86 1ckr n ASN 503 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1ckr n ASP 504 N 5.32 1.76 -4.40 1.20 8.00 -1.26 -4.80 116.55 122.37 1ckr n ASP 504 Ca 0.44 0.31 -0.44 0.00 0.71 0.00 0.00 54.79 55.81 1ckr n ASP 504 Cb 0.39 -0.73 -0.05 0.00 -0.02 0.00 0.00 41.12 40.71 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 -2.47 3.08 0.00 -1.24 1.02 -1.26 -4.55 119.74 114.31 1ckr s LYS 505 Ca -0.35 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.51 1ckr s LYS 505 Cb 0.13 -4.20 0.00 0.00 -0.52 0.00 0.00 37.83 33.24 1ckr s LYS 505 CO 0.44 -1.44 0.00 0.41 -0.92 0.00 0.00 175.35 173.83 1ckr n GLY 506 N 5.24 0.54 4.08 -3.33 0.00 -1.26 -5.03 105.19 105.43 1ckr n GLY 506 Ca -0.08 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.86 -0.30 1.61 3.00 -1.26 -4.94 116.66 113.91 1ckr n ARG 506 Ca 0.00 0.16 0.03 0.00 -0.01 0.00 0.00 57.85 58.03 1ckr n ARG 506 Cb 0.00 -3.20 0.10 0.00 0.00 0.00 0.00 32.46 29.36 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 -2.25 -0.85 0.00 0.55 -0.00 -1.99 -3.47 115.31 107.30 1ckr h LEU 507 Ca -0.69 0.26 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1ckr h LEU 507 Cb 1.40 0.55 0.00 0.00 -0.00 0.00 0.00 40.66 42.60 1ckr h LEU 507 CO 0.57 -0.28 0.00 -0.24 -0.00 0.00 0.00 178.44 178.49 1ckr n SER 508 N -5.54 0.00 -0.30 0.17 2.88 -1.26 -2.71 113.62 106.85 1ckr n SER 508 Ca 0.12 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.77 1ckr n SER 508 Cb 0.43 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.48 0.27 -1.46 -0.00 -1.99 -2.70 116.57 111.17 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 -0.11 0.00 0.00 -0.00 0.00 0.00 32.23 32.12 1ckr h LYS 509 CO 0.00 0.32 -0.13 1.05 -0.00 0.00 0.00 179.45 180.69 1ckr h GLU 510 N 0.50 -0.35 -0.15 0.07 4.11 -1.93 -2.85 114.58 113.98 1ckr h GLU 510 Ca 0.53 0.02 -0.16 0.00 0.07 0.00 0.00 59.36 59.82 1ckr h GLU 510 Cb 0.91 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1ckr h GLU 510 CO -0.46 -0.13 -0.57 -0.44 0.07 0.00 0.00 179.01 177.48 1ckr h ASP 511 N -1.05 0.51 0.33 3.06 3.32 -1.63 -2.87 116.42 118.09 1ckr h ASP 511 Ca -0.04 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1ckr h ASP 511 Cb 0.37 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1ckr h ASP 511 CO 0.06 0.97 -0.16 0.40 -1.72 0.00 0.00 179.24 178.79 1ckr h ILE 512 N 0.35 0.65 -0.62 0.35 5.03 -1.65 -1.48 117.51 120.13 1ckr h ILE 512 Ca 0.00 -0.55 0.01 0.00 -0.12 0.00 0.00 64.86 64.21 1ckr h ILE 512 Cb 1.10 0.92 -0.03 0.00 -3.03 0.00 0.00 36.82 35.77 1ckr h ILE 512 CO 0.10 0.10 0.41 -0.08 -0.68 0.00 0.00 178.15 178.00 1ckr h GLU 513 N -0.77 0.79 0.11 2.37 4.57 -1.59 -2.03 114.58 118.03 1ckr h GLU 513 Ca -0.05 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1ckr h GLU 513 Cb 0.51 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1ckr h GLU 513 CO 0.08 0.52 -0.05 0.07 -1.18 0.00 0.00 179.01 178.45 1ckr h ARG 514 N 0.82 -0.14 0.01 1.92 0.11 -1.59 -3.37 114.38 112.13 1ckr h ARG 514 Ca 0.23 0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.32 1ckr h ARG 514 Cb -0.06 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1ckr h ARG 514 CO -0.05 0.34 -0.01 0.52 0.10 0.00 0.00 179.97 180.87 1ckr h MET 515 N -0.75 -0.02 -0.87 0.08 2.86 -1.23 -3.36 114.93 111.64 1ckr h MET 515 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1ckr h MET 515 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1ckr h MET 515 CO 0.02 0.73 0.00 1.55 1.06 0.00 0.00 176.91 180.28 1ckr n VAL 516 N -4.68 0.01 -2.18 -2.22 3.14 -0.77 -0.49 118.33 111.14 1ckr n VAL 516 Ca -0.08 -0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.06 1ckr n VAL 516 Cb 0.36 -0.44 0.02 0.00 -1.06 0.00 0.00 33.84 32.73 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 -0.06 3.45 0.15 1.45 6.02 -1.26 -4.55 117.38 122.58 1ckr n GLN 517 Ca 0.00 -4.21 0.00 0.00 -0.01 0.00 0.00 57.00 52.78 1ckr n GLN 517 Cb 0.22 -2.23 0.00 0.00 1.02 0.00 0.00 30.24 29.26 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 -0.64 0.00 0.00 -1.09 0.28 -1.13 -5.05 120.64 113.01 1ckr n GLU 518 Ca 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 1ckr n GLU 518 Cb 0.89 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.76 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 -3.15 0.00 -0.33 -1.84 0.00 0.35 -1.99 120.51 113.55 1ckr n ALA 519 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 1ckr n ALA 519 Cb 0.00 0.00 0.51 0.00 0.00 0.00 0.00 19.45 19.96 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 0.37 0.00 0.00 -0.00 -1.83 -2.02 114.58 111.10 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 0.25 0.00 1.63 -0.00 0.00 0.00 179.01 180.89 1ckr n LYS 521 N -4.64 0.00 0.19 1.06 5.02 -1.25 -2.65 118.16 115.89 1ckr n LYS 521 Ca 0.26 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.60 1ckr n LYS 521 Cb 0.90 -0.96 0.30 0.00 -0.02 0.00 0.00 35.03 35.25 1ckr n LYS 521 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1ckr h TYR 522 N 0.00 0.00 0.00 2.13 5.03 -1.33 -2.53 116.97 120.27 1ckr h TYR 522 Ca 0.00 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 1ckr h TYR 522 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1ckr h TYR 522 CO 0.00 0.00 -0.99 1.17 -1.32 0.00 0.00 178.16 177.02 1ckr n LYS 523 N -2.09 0.51 0.32 1.82 4.81 -0.77 -0.37 118.16 122.38 1ckr n LYS 523 Ca -0.01 0.38 0.21 0.00 -0.87 0.00 0.00 58.31 58.02 1ckr n LYS 523 Cb 0.47 -1.57 1.13 0.00 0.02 0.00 0.00 35.03 35.08 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 -0.95 1.01 0.00 3.14 0.00 -1.48 -0.26 119.26 120.72 1ckr h ALA 524 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1ckr h ALA 524 Cb 0.90 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1ckr h ALA 524 CO -0.06 -0.01 -1.29 1.49 0.00 0.00 0.00 179.25 179.37 1ckr h GLU 525 N 0.00 0.00 0.00 0.00 4.81 -1.61 -3.06 114.58 114.72 1ckr h GLU 525 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ckr h GLU 525 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1ckr h GLU 525 CO 0.00 0.77 0.27 0.22 -0.73 0.00 0.00 179.01 179.54 1ckr h ASP 526 N 0.00 0.00 -2.04 1.04 1.82 0.11 -3.46 116.42 113.90 1ckr h ASP 526 Ca -0.13 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1ckr h ASP 526 Cb 1.87 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.88 1ckr h ASP 526 CO 0.11 0.00 0.00 -0.62 -1.61 0.00 0.00 179.24 177.12 1ckr n GLU 527 N -2.66 0.00 -3.35 0.28 -0.58 -1.04 -4.26 120.64 109.04 1ckr n GLU 527 Ca -0.02 0.32 -0.15 0.00 -0.42 0.00 0.00 57.16 56.89 1ckr n GLU 527 Cb 0.31 -1.02 0.04 0.00 -0.57 0.00 0.00 31.44 30.20 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 -0.70 -1.65 0.00 3.49 4.01 -1.18 -4.84 118.16 117.30 1ckr n LYS 528 Ca 0.00 0.95 0.00 0.00 -0.51 0.00 0.00 58.31 58.75 1ckr n LYS 528 Cb 0.34 -5.09 0.00 0.00 -0.51 0.00 0.00 35.03 29.77 1ckr n LYS 528 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ckr n GLN 529 N -2.98 0.00 -0.02 1.97 0.00 -1.09 -0.90 117.38 114.35 1ckr n GLN 529 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 57.00 56.98 1ckr n GLN 529 Cb 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.67 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 -0.21 0.66 -0.35 2.61 0.00 -1.26 -4.74 116.66 113.36 1ckr n ARG 530 Ca 0.00 -0.12 0.30 0.00 -0.00 0.00 0.00 57.85 58.02 1ckr n ARG 530 Cb 0.00 -1.55 0.50 0.00 0.00 0.00 0.00 32.46 31.41 1ckr n ARG 530 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1ckr n ASP 531 N -2.42 0.14 -4.06 6.15 9.92 -0.08 -2.62 116.55 123.59 1ckr n ASP 531 Ca -0.10 0.97 -0.42 0.00 -0.53 0.00 0.00 54.79 54.70 1ckr n ASP 531 Cb 0.71 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1ckr n ASP 531 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1ckr n LYS 532 N -4.06 3.01 0.00 -1.24 -0.00 -1.22 -4.05 118.16 110.60 1ckr n LYS 532 Ca 0.29 -2.90 0.00 0.00 -0.00 0.00 0.00 58.31 55.70 1ckr n LYS 532 Cb 1.16 -3.35 0.00 0.00 -0.00 0.00 0.00 35.03 32.84 1ckr n LYS 532 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1ckr n VAL 533 N 5.49 0.00 -0.13 0.58 3.14 -1.08 -4.98 118.33 121.35 1ckr n VAL 533 Ca 0.50 0.00 0.08 0.00 -2.96 0.00 0.00 64.34 61.96 1ckr n VAL 533 Cb 0.41 0.00 0.40 0.00 -1.06 0.00 0.00 33.84 33.60 1ckr n VAL 533 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1ckr h SER 534 N 0.00 0.56 0.00 6.55 0.87 -1.86 -3.43 113.55 116.24 1ckr h SER 534 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ckr h SER 534 Cb 0.00 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1ckr h SER 534 CO 0.00 0.36 0.00 -1.54 -0.53 0.00 0.00 176.83 175.12 1ckr n SER 535 N -4.48 0.00 0.00 6.23 3.41 -1.26 -4.89 113.62 112.63 1ckr n SER 535 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1ckr n SER 535 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1ckr n SER 535 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ckr n LYS 536 N -0.54 0.00 -3.23 4.33 0.00 -1.26 -4.95 118.16 112.51 1ckr n LYS 536 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.07 1ckr n LYS 536 Cb 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 35.03 34.88 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 -2.04 0.85 -4.98 3.14 3.02 -1.26 -3.29 115.26 110.71 1ckr n ASN 537 Ca 0.00 -2.84 -0.20 0.00 -0.03 0.00 0.00 54.58 51.50 1ckr n ASN 537 Cb 0.00 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 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 -1.49 5.88 -0.42 6.41 1.04 -1.26 -0.18 113.70 123.69 1ckr s SER 538 Ca 0.36 -0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.82 1ckr s SER 538 Cb 0.18 -1.31 0.19 0.00 0.10 0.00 0.00 66.02 65.18 1ckr s SER 538 CO -0.09 -0.57 0.41 0.00 0.98 0.00 0.00 173.24 173.97 1ckr n LEU 539 N -1.83 -0.64 0.00 2.42 -0.00 -1.25 -3.43 117.00 112.27 1ckr n LEU 539 Ca 0.01 -4.30 0.00 0.00 -0.00 0.00 0.00 56.01 51.72 1ckr n LEU 539 Cb 0.58 0.59 0.00 0.00 -0.00 0.00 0.00 43.42 44.59 1ckr n LEU 539 CO 0.44 1.90 0.00 -1.84 -0.00 0.00 0.00 177.39 177.89