#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1knb n ASP 397 N 0.00 0.00 0.00 6.41 -0.08 -1.26 -3.55 116.55 118.07 1knb n ASP 397 Ca 0.00 0.08 0.10 0.00 -1.51 0.00 0.00 54.79 53.46 1knb n ASP 397 Cb 0.00 -0.09 0.52 0.00 2.34 0.00 0.00 41.12 43.89 1knb n ASP 397 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1knb n LYS 398 N -0.95 0.24 -0.08 -0.67 4.76 -1.26 -2.16 118.16 118.05 1knb n LYS 398 Ca 0.00 0.09 0.12 0.00 -2.87 0.00 0.00 58.31 55.65 1knb n LYS 398 Cb 0.00 -1.50 0.14 0.00 -1.84 0.00 0.00 35.03 31.83 1knb n LYS 398 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1knb n LEU 399 N -1.33 3.13 -3.91 -0.35 4.77 -1.26 -4.87 117.00 113.18 1knb n LEU 399 Ca 0.09 -1.21 -0.26 0.00 -0.03 0.00 0.00 56.01 54.60 1knb n LEU 399 Cb 0.19 -0.10 -0.17 0.00 -2.33 0.00 0.00 43.42 41.01 1knb n LEU 399 CO 0.17 0.59 -0.44 -0.89 -1.33 0.00 0.00 177.39 175.49 1knb s THR 400 N -1.74 1.00 -0.20 -5.08 2.01 -0.92 -0.85 115.64 109.86 1knb s THR 400 Ca 0.31 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 1knb s THR 400 Cb 0.20 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.71 1knb s THR 400 CO 0.30 0.36 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.25 1knb s LEU 401 N 1.57 2.58 0.36 4.42 2.96 -0.60 -1.35 118.68 128.62 1knb s LEU 401 Ca 0.02 -0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 53.41 1knb s LEU 401 Cb -0.13 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1knb s LEU 401 CO -0.06 0.01 0.53 -1.66 -1.32 0.00 0.00 176.35 173.84 1knb s TRP 402 N 1.30 0.96 -2.51 5.38 -2.14 -0.51 -1.09 118.94 120.33 1knb s TRP 402 Ca 0.04 -1.25 0.23 0.00 2.66 0.00 0.00 56.10 57.78 1knb s TRP 402 Cb -0.14 0.04 0.57 0.00 -3.10 0.00 0.00 33.47 30.84 1knb s TRP 402 CO -0.06 -1.21 1.47 0.25 -2.66 0.00 0.00 176.95 174.73 1knb n THR 403 N -0.57 0.25 0.00 0.66 -2.24 -0.96 -2.21 114.28 109.21 1knb n THR 403 Ca -0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1knb n THR 403 Cb 0.61 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 1knb n THR 403 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1knb n THR 404 N 0.92 0.00 0.22 4.28 -2.24 -1.25 -4.41 114.28 111.79 1knb n THR 404 Ca 0.17 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 1knb n THR 404 Cb 0.48 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.17 1knb n THR 404 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1knb h PRO 405 N 0.00 0.00 -2.23 -0.78 0.13 -1.94 -3.37 132.00 123.81 1knb h PRO 405 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1knb h PRO 405 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 1knb h PRO 405 CO 0.00 0.21 -0.96 0.00 -0.23 0.00 0.00 178.00 177.03 1knb n ALA 406 N -2.21 2.86 -1.44 -0.56 0.00 -1.26 -5.01 120.51 112.88 1knb n ALA 406 Ca 0.00 -3.57 -0.32 0.00 0.00 0.00 0.00 53.44 49.56 1knb n ALA 406 Cb 0.43 -0.82 0.06 0.00 0.00 0.00 0.00 19.45 19.12 1knb n ALA 406 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1knb s PRO 407 N -0.97 2.67 0.77 0.00 0.04 -1.26 -5.06 135.00 131.18 1knb s PRO 407 Ca 0.34 1.15 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 1knb s PRO 407 Cb 0.11 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.78 1knb s PRO 407 CO -0.13 -1.33 1.10 -1.12 0.04 0.00 0.00 177.00 175.57 1knb s SER 408 N -3.31 4.56 0.02 6.66 0.01 -1.26 -4.92 113.70 115.46 1knb s SER 408 Ca 0.61 0.57 -0.36 0.00 1.31 0.00 0.00 55.95 58.08 1knb s SER 408 Cb -0.17 -1.10 -0.15 0.00 0.21 0.00 0.00 66.02 64.81 1knb s SER 408 CO 0.51 -1.81 1.57 -2.65 0.41 0.00 0.00 173.24 171.27 1knb n PRO 409 N -3.14 1.62 0.00 12.44 -0.02 -1.26 -4.77 135.00 139.86 1knb n PRO 409 Ca 0.09 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1knb n PRO 409 Cb 0.61 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1knb n PRO 409 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1knb n ASN 410 N 3.95 0.00 -3.92 2.55 6.94 -0.57 -4.92 115.26 119.29 1knb n ASN 410 Ca 0.20 -1.00 -0.09 0.00 -0.02 0.00 0.00 54.58 53.67 1knb n ASN 410 Cb 0.23 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.58 1knb n ASN 410 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1knb s ARG 412 N -3.95 2.42 -0.15 0.00 3.52 0.27 -1.84 118.95 119.23 1knb s ARG 412 Ca 0.15 -1.25 -0.05 0.00 -0.13 0.00 0.00 55.73 54.45 1knb s ARG 412 Cb 0.03 -3.04 -0.24 0.00 -1.56 0.00 0.00 34.95 30.14 1knb s ARG 412 CO -0.01 -0.57 0.22 1.28 -0.81 0.00 0.00 175.30 175.41 1knb n LEU 413 N 4.56 2.72 0.00 -0.88 4.77 -1.26 -4.85 117.00 122.06 1knb n LEU 413 Ca -0.14 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1knb n LEU 413 Cb 0.43 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1knb n LEU 413 CO 0.24 0.88 -0.11 0.59 -1.33 0.00 0.00 177.39 177.67 1knb n ASN 414 N -3.43 0.44 -4.40 -1.43 3.02 -1.26 -4.67 115.26 103.52 1knb n ASN 414 Ca -0.35 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 53.99 1knb n ASN 414 Cb 1.03 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 40.10 1knb n ASN 414 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1knb s ALA 415 N -1.59 2.31 0.17 5.41 0.00 -1.26 -5.09 121.76 121.71 1knb s ALA 415 Ca 0.00 -1.80 -0.33 0.00 0.00 0.00 0.00 51.96 49.83 1knb s ALA 415 Cb 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 23.12 22.93 1knb s ALA 415 CO 0.00 0.07 1.43 -0.85 0.00 0.00 0.00 175.76 176.41 1knb n GLU 416 N -0.51 1.80 -4.20 0.00 -0.00 -1.26 -2.54 120.64 113.94 1knb n GLU 416 Ca -0.06 0.65 -0.33 0.00 -0.00 0.00 0.00 57.16 57.41 1knb n GLU 416 Cb 0.61 -2.32 -0.05 0.00 -0.00 0.00 0.00 31.44 29.68 1knb n GLU 416 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1knb n LYS 417 N 2.62 -2.48 -0.14 3.44 5.02 -1.12 -4.84 118.16 120.66 1knb n LYS 417 Ca 0.15 0.30 0.11 0.00 -2.02 0.00 0.00 58.31 56.85 1knb n LYS 417 Cb 0.27 -4.58 0.28 0.00 -0.02 0.00 0.00 35.03 30.98 1knb n LYS 417 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1knb n ASP 418 N -2.78 2.62 -3.74 4.39 5.75 -0.76 -4.77 116.55 117.26 1knb n ASP 418 Ca -0.12 -1.87 -0.10 0.00 -0.01 0.00 0.00 54.79 52.69 1knb n ASP 418 Cb 0.59 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.43 1knb n ASP 418 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1knb s ALA 419 N -1.63 -0.63 -0.32 2.12 0.00 -1.09 -0.47 121.76 119.73 1knb s ALA 419 Ca 0.35 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 1knb s ALA 419 Cb 0.20 0.55 0.05 0.00 0.00 0.00 0.00 23.12 23.92 1knb s ALA 419 CO 0.29 -0.55 0.05 0.15 0.00 0.00 0.00 175.76 175.70 1knb s LYS 420 N -3.59 2.47 -0.26 0.00 1.02 0.93 -1.51 119.74 118.80 1knb s LYS 420 Ca 0.02 -1.27 -0.12 0.00 0.02 0.00 0.00 55.97 54.62 1knb s LYS 420 Cb 0.02 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1knb s LYS 420 CO -0.10 -0.67 0.23 -1.17 -0.92 0.00 0.00 175.35 172.72 1knb s LEU 421 N 1.30 4.06 -0.32 3.17 2.96 -1.26 -1.84 118.68 126.75 1knb s LEU 421 Ca -0.03 0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 1knb s LEU 421 Cb -0.20 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.30 1knb s LEU 421 CO 0.00 -0.04 0.15 -0.89 -1.32 0.00 0.00 176.35 174.25 1knb s THR 422 N 1.55 4.45 -0.06 3.68 2.01 -0.19 -4.84 115.64 122.24 1knb s THR 422 Ca 0.09 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 1knb s THR 422 Cb -0.15 -3.33 0.03 0.00 0.01 0.00 0.00 72.50 69.05 1knb s THR 422 CO 0.09 -0.01 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.77 1knb s LEU 423 N 1.57 0.86 -0.13 4.42 2.96 -1.26 -1.45 118.68 125.65 1knb s LEU 423 Ca 0.03 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1knb s LEU 423 Cb -0.18 -0.43 0.02 0.00 0.50 0.00 0.00 46.19 46.10 1knb s LEU 423 CO 0.05 -0.14 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.08 1knb s VAL 424 N 1.58 1.72 -0.30 1.68 1.01 -0.86 -2.26 120.40 122.97 1knb s VAL 424 Ca -0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1knb s VAL 424 Cb -0.13 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.72 1knb s VAL 424 CO -0.03 0.48 0.04 -0.76 0.00 0.00 0.00 175.10 174.83 1knb s LEU 425 N 1.09 3.81 -0.21 3.92 1.43 -0.25 -2.28 118.68 126.19 1knb s LEU 425 Ca -0.03 -0.96 -0.04 0.00 -1.03 0.00 0.00 54.13 52.06 1knb s LEU 425 Cb -0.14 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1knb s LEU 425 CO -0.05 -0.22 -0.02 -0.89 0.23 0.00 0.00 176.35 175.40 1knb s THR 426 N 1.39 3.66 -0.23 5.49 2.01 0.57 -1.56 115.64 126.98 1knb s THR 426 Ca -0.01 -0.40 -0.27 0.00 0.31 0.00 0.00 61.69 61.32 1knb s THR 426 Cb -0.18 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1knb s THR 426 CO 0.00 0.42 0.96 -0.75 -0.69 0.00 0.00 174.62 174.57 1knb s LYS 427 N 1.26 4.24 -0.55 4.92 2.20 -0.03 -0.41 119.74 131.37 1knb s LYS 427 Ca 0.03 1.22 0.05 0.00 -0.36 0.00 0.00 55.97 56.91 1knb s LYS 427 Cb -0.14 -3.64 0.36 0.00 -1.51 0.00 0.00 37.83 32.90 1knb s LYS 427 CO -0.00 -0.57 1.03 0.00 -0.36 0.00 0.00 175.35 175.45 1knb n GLY 429 N -0.31 2.22 0.28 0.00 0.00 -1.26 -3.28 105.19 102.83 1knb n GLY 429 Ca 0.34 -0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.38 1knb n GLY 429 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1knb h SER 430 N 0.00 0.00 -3.83 1.61 0.87 -1.95 -3.44 113.55 106.80 1knb h SER 430 Ca 0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 1knb h SER 430 Cb 0.00 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 61.76 1knb h SER 430 CO 0.00 0.05 -0.80 -1.10 -0.53 0.00 0.00 176.83 174.45 1knb s GLN 431 N -3.86 1.21 -0.18 2.24 -0.21 -1.21 -0.66 119.66 116.99 1knb s GLN 431 Ca -0.01 -1.30 -0.05 0.00 0.02 0.00 0.00 55.36 54.02 1knb s GLN 431 Cb 0.11 -1.36 -0.03 0.00 1.00 0.00 0.00 33.01 32.73 1knb s GLN 431 CO 0.53 0.29 0.01 0.42 -2.12 0.00 0.00 175.29 174.43 1knb s ILE 432 N -1.65 4.25 -0.20 1.08 -1.09 -0.22 -1.16 121.20 122.21 1knb s ILE 432 Ca 0.12 -0.22 -0.14 0.00 -2.23 0.00 0.00 60.65 58.17 1knb s ILE 432 Cb -0.08 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 1knb s ILE 432 CO 0.06 0.46 0.31 -0.22 -1.23 0.00 0.00 174.94 174.31 1knb s LEU 433 N 0.55 4.18 0.09 2.97 2.96 0.46 -2.31 118.68 127.59 1knb s LEU 433 Ca -0.00 0.42 0.06 0.00 -0.22 0.00 0.00 54.13 54.39 1knb s LEU 433 Cb -0.14 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1knb s LEU 433 CO 0.02 0.02 -0.15 0.00 -1.32 0.00 0.00 176.35 174.91 1knb s ALA 434 N 0.95 1.40 -0.03 5.97 0.00 0.22 -0.31 121.76 129.95 1knb s ALA 434 Ca 0.16 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1knb s ALA 434 Cb -0.14 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1knb s ALA 434 CO 0.06 0.18 -0.07 -0.08 0.00 0.00 0.00 175.76 175.85 1knb s THR 435 N -1.54 0.64 0.03 0.00 -1.32 -0.97 -1.59 115.64 110.90 1knb s THR 435 Ca 0.03 -0.25 0.02 0.00 -1.21 0.00 0.00 61.69 60.28 1knb s THR 435 Cb -0.08 -0.60 -0.02 0.00 -1.51 0.00 0.00 72.50 70.29 1knb s THR 435 CO 0.03 0.22 -0.08 0.54 -2.21 0.00 0.00 174.62 173.12 1knb s VAL 436 N 0.42 0.55 -0.06 5.08 0.11 -0.25 -2.03 120.40 124.22 1knb s VAL 436 Ca -0.06 -0.88 -0.24 0.00 -2.93 0.00 0.00 61.98 57.88 1knb s VAL 436 Cb -0.10 -0.58 0.05 0.00 -1.53 0.00 0.00 36.38 34.22 1knb s VAL 436 CO 0.00 -0.24 0.53 -0.55 -3.33 0.00 0.00 175.10 171.52 1knb s SER 437 N -1.21 -0.49 0.02 3.54 0.15 -0.53 -1.68 113.70 113.50 1knb s SER 437 Ca -0.06 0.56 -0.00 0.00 0.70 0.00 0.00 55.95 57.14 1knb s SER 437 Cb -0.08 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1knb s SER 437 CO 0.00 -0.49 -0.02 0.54 1.20 0.00 0.00 173.24 174.47 1knb s VAL 438 N -1.02 0.11 -0.11 4.45 0.11 -1.26 -1.02 120.40 121.66 1knb s VAL 438 Ca -0.10 -0.93 -0.04 0.00 -2.93 0.00 0.00 61.98 57.98 1knb s VAL 438 Cb -0.02 -0.30 0.06 0.00 -1.53 0.00 0.00 36.38 34.58 1knb s VAL 438 CO 0.07 -0.51 0.22 -0.22 -3.33 0.00 0.00 175.10 171.33 1knb s LEU 439 N -1.50 -0.09 0.25 2.54 2.96 -0.77 -1.51 118.68 120.56 1knb s LEU 439 Ca -0.15 0.48 -0.28 0.00 -0.22 0.00 0.00 54.13 53.96 1knb s LEU 439 Cb -0.09 0.54 -0.09 0.00 0.50 0.00 0.00 46.19 47.05 1knb s LEU 439 CO -0.01 -0.23 0.91 0.00 -1.32 0.00 0.00 176.35 175.70 1knb s ALA 440 N 2.18 3.33 -0.11 5.97 0.00 -0.05 -0.05 121.76 133.02 1knb s ALA 440 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.54 1knb s ALA 440 Cb -0.12 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1knb s ALA 440 CO -0.07 0.22 0.14 1.33 0.00 0.00 0.00 175.76 177.38 1knb n VAL 441 N 1.26 0.00 -3.75 0.00 0.24 0.38 -4.77 118.33 111.69 1knb n VAL 441 Ca -0.02 -0.27 -0.07 0.00 -2.04 0.00 0.00 64.34 61.94 1knb n VAL 441 Cb 0.48 0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 33.58 1knb n VAL 441 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1knb s LYS 442 N -1.77 1.53 1.62 7.34 -2.85 -1.20 -4.95 119.74 119.45 1knb s LYS 442 Ca 0.00 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.18 1knb s LYS 442 Cb 0.03 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 1knb s LYS 442 CO 0.17 -0.69 0.00 0.41 0.10 0.00 0.00 175.35 175.34 1knb n GLY 443 N -0.44 -1.07 0.00 0.59 0.00 -1.26 -4.16 105.19 98.85 1knb n GLY 443 Ca -0.07 -1.46 0.07 0.00 0.00 0.00 0.00 46.02 44.56 1knb n GLY 443 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1knb n SER 444 N 0.28 0.00 -0.53 1.61 3.41 -1.26 -2.05 113.62 115.08 1knb n SER 444 Ca 0.00 0.35 0.06 0.00 -0.26 0.00 0.00 58.87 59.02 1knb n SER 444 Cb 0.00 -0.42 0.08 0.00 -0.26 0.00 0.00 64.21 63.61 1knb n SER 444 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1knb n LEU 445 N -1.42 2.24 -3.41 1.04 4.77 -1.26 -1.90 117.00 117.06 1knb n LEU 445 Ca 0.04 -1.25 -0.27 0.00 -0.03 0.00 0.00 56.01 54.51 1knb n LEU 445 Cb 0.14 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1knb n LEU 445 CO 0.12 0.47 -0.30 0.00 -1.33 0.00 0.00 177.39 176.34 1knb n ALA 446 N 0.65 2.88 -2.02 -1.18 0.00 -0.87 -1.66 120.51 118.31 1knb n ALA 446 Ca 0.08 -3.19 -0.25 0.00 0.00 0.00 0.00 53.44 50.08 1knb n ALA 446 Cb 0.33 -0.77 0.05 0.00 0.00 0.00 0.00 19.45 19.06 1knb n ALA 446 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1knb s PRO 447 N -0.06 2.58 0.19 0.00 0.04 -1.26 -4.36 135.00 132.13 1knb s PRO 447 Ca 0.33 -0.25 -0.32 0.00 0.04 0.00 0.00 61.00 60.80 1knb s PRO 447 Cb 0.04 -2.28 -0.12 0.00 0.04 0.00 0.00 34.50 32.18 1knb s PRO 447 CO -0.20 -0.89 1.74 -0.89 0.04 0.00 0.00 177.00 176.80 1knb n ILE 448 N -2.65 0.07 -3.38 0.56 5.41 0.43 -4.69 119.36 115.11 1knb n ILE 448 Ca 0.06 -0.01 -0.23 0.00 1.00 0.00 0.00 62.75 63.57 1knb n ILE 448 Cb 0.59 -1.98 0.04 0.00 -0.71 0.00 0.00 39.64 37.58 1knb n ILE 448 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1knb s SER 449 N 1.45 4.86 0.00 4.38 1.04 -0.80 -0.76 113.70 123.87 1knb s SER 449 Ca 0.77 -1.07 0.30 0.00 0.48 0.00 0.00 55.95 56.43 1knb s SER 449 Cb -0.51 0.49 1.64 0.00 0.10 0.00 0.00 66.02 67.74 1knb s SER 449 CO 0.34 -1.33 2.09 0.61 0.98 0.00 0.00 173.24 175.93 1knb n GLY 450 N -2.11 -1.15 0.39 7.32 0.00 -1.26 -3.64 105.19 104.73 1knb n GLY 450 Ca 0.09 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1knb n GLY 450 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1knb n THR 451 N -1.17 0.00 -4.49 2.61 -2.24 -1.26 -4.90 114.28 102.83 1knb n THR 451 Ca 0.18 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 1knb n THR 451 Cb 0.19 0.79 -0.16 0.00 -2.10 0.00 0.00 70.33 69.05 1knb n THR 451 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1knb s VAL 452 N -2.44 0.94 -0.03 2.28 -7.23 -1.24 -5.00 120.40 107.68 1knb s VAL 452 Ca 0.23 -0.44 0.05 0.00 -1.81 0.00 0.00 61.98 60.01 1knb s VAL 452 Cb 0.19 -0.83 0.07 0.00 0.56 0.00 0.00 36.38 36.38 1knb s VAL 452 CO 0.52 0.29 0.92 0.00 -0.31 0.00 0.00 175.10 176.51 1knb n GLN 453 N 3.29 1.21 -3.55 4.82 6.02 -1.26 -4.77 117.38 123.15 1knb n GLN 453 Ca -0.18 -1.43 -0.08 0.00 -0.01 0.00 0.00 57.00 55.29 1knb n GLN 453 Cb 0.54 -0.90 -0.02 0.00 1.02 0.00 0.00 30.24 30.87 1knb n GLN 453 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1knb s SER 454 N -1.24 -0.37 -0.01 1.08 1.04 -1.26 -1.43 113.70 111.51 1knb s SER 454 Ca 0.08 -0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 1knb s SER 454 Cb 0.07 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 1knb s SER 454 CO 0.01 -0.80 0.07 0.00 0.98 0.00 0.00 173.24 173.50 1knb s ALA 455 N -3.34 -0.15 0.02 5.32 0.00 -0.25 -5.00 121.76 118.36 1knb s ALA 455 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1knb s ALA 455 Cb -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1knb s ALA 455 CO -0.07 -0.13 -0.05 -1.01 0.00 0.00 0.00 175.76 174.50 1knb s HIS 456 N -0.88 0.39 -0.06 0.00 3.76 -1.26 -0.91 115.29 116.34 1knb s HIS 456 Ca -0.10 -0.42 -0.02 0.00 -0.15 0.00 0.00 55.06 54.37 1knb s HIS 456 Cb -0.06 -0.25 0.04 0.00 1.11 0.00 0.00 32.58 33.42 1knb s HIS 456 CO 0.00 -0.12 0.12 -1.17 -0.85 0.00 0.00 174.74 172.72 1knb s LEU 457 N -1.22 0.46 -0.19 0.89 2.96 -0.19 -4.69 118.68 116.71 1knb s LEU 457 Ca -0.11 0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1knb s LEU 457 Cb -0.08 0.19 0.00 0.00 0.50 0.00 0.00 46.19 46.80 1knb s LEU 457 CO -0.00 -0.19 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.07 1knb s ILE 458 N 1.63 2.67 -0.23 6.68 1.01 -1.26 -0.35 121.20 131.35 1knb s ILE 458 Ca -0.04 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 1knb s ILE 458 Cb -0.12 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1knb s ILE 458 CO -0.05 0.49 0.09 -0.63 0.00 0.00 0.00 174.94 174.84 1knb s ILE 459 N 1.21 4.66 -0.04 2.92 1.01 0.18 -4.47 121.20 126.67 1knb s ILE 459 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.65 1knb s ILE 459 Cb -0.14 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 1knb s ILE 459 CO -0.06 0.37 -0.17 -0.13 0.00 0.00 0.00 174.94 174.95 1knb s ARG 460 N 1.16 2.44 0.12 2.79 0.52 -1.26 -1.25 118.95 123.47 1knb s ARG 460 Ca 0.05 -0.74 0.07 0.00 -0.52 0.00 0.00 55.73 54.58 1knb s ARG 460 Cb -0.14 -2.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1knb s ARG 460 CO 0.04 0.60 -0.16 -0.06 0.02 0.00 0.00 175.30 175.74 1knb s PHE 461 N -0.68 1.54 0.44 -0.53 0.08 -0.18 -1.78 117.98 116.87 1knb s PHE 461 Ca 0.11 -0.50 -0.05 0.00 0.12 0.00 0.00 56.93 56.61 1knb s PHE 461 Cb -0.11 -0.81 0.10 0.00 -0.57 0.00 0.00 43.02 41.63 1knb s PHE 461 CO 0.00 0.19 0.61 -0.40 -0.10 0.00 0.00 175.22 175.52 1knb n ASP 462 N 0.63 0.35 0.34 1.36 5.68 0.20 -0.85 116.55 124.26 1knb n ASP 462 Ca -0.16 -1.41 0.22 0.00 -0.50 0.00 0.00 54.79 52.94 1knb n ASP 462 Cb 0.56 -0.44 1.16 0.00 -1.14 0.00 0.00 41.12 41.27 1knb n ASP 462 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1knb h GLU 463 N 0.00 0.00 -0.44 0.11 9.09 -1.94 -0.06 114.58 121.34 1knb h GLU 463 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.21 1knb h GLU 463 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.72 1knb h GLU 463 CO 0.17 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.32 1knb n ASN 464 N -3.04 3.38 -0.30 3.06 3.02 -1.26 -4.89 115.26 115.22 1knb n ASN 464 Ca -0.03 -1.98 -0.04 0.00 -0.03 0.00 0.00 54.58 52.51 1knb n ASN 464 Cb 0.12 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 38.99 1knb n ASN 464 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1knb n GLY 465 N 1.50 0.60 3.89 7.41 0.00 -0.04 -0.96 105.19 117.59 1knb n GLY 465 Ca 0.20 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1knb n GLY 465 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1knb s VAL 466 N -2.14 5.45 0.34 1.61 1.01 -1.26 -4.42 120.40 121.00 1knb s VAL 466 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1knb s VAL 466 Cb 0.00 -3.45 -0.11 0.00 0.00 0.00 0.00 36.38 32.82 1knb s VAL 466 CO 0.00 0.49 1.49 0.18 0.00 0.00 0.00 175.10 177.26 1knb n LEU 467 N 1.54 4.42 -4.78 3.92 4.77 -1.26 -0.63 117.00 124.97 1knb n LEU 467 Ca -0.16 1.20 -0.35 0.00 -0.03 0.00 0.00 56.01 56.66 1knb n LEU 467 Cb 0.54 -1.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.04 1knb n LEU 467 CO 0.36 0.04 0.78 -0.76 -1.33 0.00 0.00 177.39 176.48 1knb s LEU 468 N -1.38 3.85 0.27 2.23 1.43 -0.73 -4.78 118.68 119.56 1knb s LEU 468 Ca 0.57 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 1knb s LEU 468 Cb -0.50 -4.47 0.61 0.00 0.03 0.00 0.00 46.19 41.86 1knb s LEU 468 CO 0.59 -1.05 1.70 -0.55 0.23 0.00 0.00 176.35 177.27 1knb h ASN 469 N 1.53 0.25 -1.22 2.29 -1.07 -1.93 -2.43 115.58 112.99 1knb h ASN 469 Ca -0.50 0.14 -0.58 0.00 0.07 0.00 0.00 56.30 55.44 1knb h ASN 469 Cb 1.25 0.14 -0.18 0.00 -2.07 0.00 0.00 38.32 37.46 1knb h ASN 469 CO 0.58 0.01 0.81 -3.20 0.07 0.00 0.00 177.43 175.70 1knb n ASN 470 N -5.06 6.87 -4.74 6.14 5.15 -1.26 -4.97 115.26 117.38 1knb n ASN 470 Ca 0.19 -3.28 -0.41 0.00 -0.60 0.00 0.00 54.58 50.48 1knb n ASN 470 Cb 0.56 -1.23 -0.05 0.00 -0.53 0.00 0.00 39.78 38.53 1knb n ASN 470 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1knb s SER 471 N 0.15 7.43 0.09 1.20 1.04 -0.92 -4.92 113.70 117.77 1knb s SER 471 Ca 0.57 1.98 0.23 0.00 0.48 0.00 0.00 55.95 59.20 1knb s SER 471 Cb 0.35 -2.60 0.91 0.00 0.10 0.00 0.00 66.02 64.78 1knb s SER 471 CO -0.22 -0.08 1.70 0.49 0.98 0.00 0.00 173.24 176.12 1knb n PHE 472 N 2.20 0.34 -4.02 5.02 3.72 -1.26 -4.49 117.46 118.97 1knb n PHE 472 Ca 0.01 0.12 -0.35 0.00 -0.05 0.00 0.00 57.45 57.18 1knb n PHE 472 Cb 0.47 -0.69 -0.11 0.00 -0.94 0.00 0.00 39.48 38.21 1knb n PHE 472 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1knb s LEU 473 N -3.58 3.54 0.02 4.37 2.96 -1.26 -0.56 118.68 124.15 1knb s LEU 473 Ca 0.09 -0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.62 1knb s LEU 473 Cb 0.13 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 1knb s LEU 473 CO 0.43 0.10 1.38 -0.62 -1.32 0.00 0.00 176.35 176.31 1knb s ASP 474 N 0.82 6.87 0.50 3.68 -1.08 0.73 -4.93 116.67 123.26 1knb s ASP 474 Ca 0.02 2.12 0.33 0.00 -0.52 0.00 0.00 52.55 54.50 1knb s ASP 474 Cb -0.14 -2.56 1.37 0.00 -1.46 0.00 0.00 42.92 40.13 1knb s ASP 474 CO 0.02 -0.69 1.96 1.55 0.52 0.00 0.00 175.17 178.53 1knb h PRO 475 N 7.62 0.00 -0.63 4.34 0.13 -1.92 -3.36 132.00 138.18 1knb h PRO 475 Ca -0.38 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.88 1knb h PRO 475 Cb 1.18 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1knb h PRO 475 CO 0.89 0.00 0.02 1.49 -0.23 0.00 0.00 178.00 180.17 1knb h GLU 476 N 0.00 0.13 -0.34 0.86 4.81 -1.98 -2.54 114.58 115.52 1knb h GLU 476 Ca 0.00 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1knb h GLU 476 Cb 0.44 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.68 1knb h GLU 476 CO 0.00 0.09 -0.13 0.66 -0.73 0.00 0.00 179.01 178.90 1knb n TYR 477 N -5.26 1.07 -3.64 0.92 4.01 -1.26 -4.87 117.16 108.13 1knb n TYR 477 Ca 0.09 -1.65 -0.39 0.00 -0.16 0.00 0.00 57.90 55.80 1knb n TYR 477 Cb 0.36 -0.48 -0.10 0.00 -0.31 0.00 0.00 39.34 38.81 1knb n TYR 477 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1knb s TRP 478 N -3.28 3.46 0.24 -0.72 -0.11 -0.96 -3.95 118.94 113.63 1knb s TRP 478 Ca 0.45 -2.00 -0.21 0.00 1.22 0.00 0.00 56.10 55.56 1knb s TRP 478 Cb 0.41 -3.29 0.07 0.00 -1.50 0.00 0.00 33.47 29.16 1knb s TRP 478 CO -0.01 -0.96 0.96 1.21 -4.62 0.00 0.00 176.95 173.53 1knb s ASN 479 N 2.27 -0.02 0.59 5.86 3.84 -0.94 -4.87 114.94 121.68 1knb s ASN 479 Ca 0.06 -0.77 -0.18 0.00 0.21 0.00 0.00 52.86 52.17 1knb s ASN 479 Cb -0.24 0.60 -0.03 0.00 -0.55 0.00 0.00 41.25 41.02 1knb s ASN 479 CO -0.01 -1.18 1.16 -0.36 -2.79 0.00 0.00 177.10 173.92 1knb s PHE 480 N -2.37 2.51 0.55 0.43 0.08 -1.26 -1.42 117.98 116.49 1knb s PHE 480 Ca 0.19 1.54 -0.19 0.00 0.12 0.00 0.00 56.93 58.59 1knb s PHE 480 Cb -0.03 -3.36 -0.06 0.00 -0.57 0.00 0.00 43.02 39.00 1knb s PHE 480 CO 0.07 -1.92 1.09 0.50 -0.10 0.00 0.00 175.22 174.86 1knb s ARG 481 N -3.46 3.40 -0.34 0.44 3.52 -0.45 -1.30 118.95 120.77 1knb s ARG 481 Ca 0.74 1.47 0.04 0.00 -0.13 0.00 0.00 55.73 57.85 1knb s ARG 481 Cb -0.26 -2.03 0.17 0.00 -1.56 0.00 0.00 34.95 31.27 1knb s ARG 481 CO 0.33 -0.78 0.48 1.21 -0.81 0.00 0.00 175.30 175.72 1knb s ASN 482 N -2.05 -0.15 1.67 -2.12 3.04 -0.80 -4.49 114.94 110.04 1knb s ASN 482 Ca 0.69 -0.68 0.00 0.00 0.04 0.00 0.00 52.86 52.92 1knb s ASN 482 Cb -0.20 1.30 0.00 0.00 -1.54 0.00 0.00 41.25 40.81 1knb s ASN 482 CO 0.28 -0.28 0.00 0.61 -3.04 0.00 0.00 177.10 174.67 1knb n GLY 483 N 4.89 2.71 1.57 1.21 0.00 -1.26 -1.19 105.19 113.12 1knb n GLY 483 Ca 0.06 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.93 1knb n GLY 483 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1knb n ASP 484 N 6.18 4.64 0.00 1.61 8.00 -1.26 -4.93 116.55 130.78 1knb n ASP 484 Ca 0.00 -2.33 0.00 0.00 0.71 0.00 0.00 54.79 53.17 1knb n ASP 484 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1knb n ASP 484 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1knb n LEU 485 N 1.31 0.00 -4.38 0.64 4.77 -0.34 -4.22 117.00 114.79 1knb n LEU 485 Ca 0.26 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.04 1knb n LEU 485 Cb 0.84 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.83 1knb n LEU 485 CO 0.23 0.00 -0.43 0.42 -1.33 0.00 0.00 177.39 176.27 1knb s THR 486 N 1.06 1.82 0.50 -5.08 -4.23 -1.26 -1.90 115.64 106.55 1knb s THR 486 Ca 0.00 -2.22 -0.22 0.00 -1.18 0.00 0.00 61.69 58.07 1knb s THR 486 Cb 0.00 -2.15 -0.08 0.00 1.34 0.00 0.00 72.50 71.61 1knb s THR 486 CO 0.00 -0.52 1.07 -0.62 -0.54 0.00 0.00 174.62 174.01 1knb n GLU 487 N -0.45 1.33 0.04 3.99 -0.58 -0.42 -4.65 120.64 119.91 1knb n GLU 487 Ca -0.07 0.49 0.02 0.00 -0.42 0.00 0.00 57.16 57.17 1knb n GLU 487 Cb 0.61 -2.20 0.37 0.00 -0.57 0.00 0.00 31.44 29.64 1knb n GLU 487 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1knb h GLY 488 N 1.25 0.46 -4.73 0.62 0.00 -1.98 -3.43 103.07 95.25 1knb h GLY 488 Ca -0.47 -0.24 -0.67 0.00 0.00 0.00 0.00 47.33 45.95 1knb h GLY 488 CO 0.55 0.23 -0.69 -1.08 0.00 0.00 0.00 176.54 175.55 1knb s THR 489 N -5.03 3.77 0.25 4.70 -1.32 -1.26 -5.08 115.64 111.67 1knb s THR 489 Ca -0.07 -0.80 -0.31 0.00 -1.21 0.00 0.00 61.69 59.30 1knb s THR 489 Cb 0.16 -2.68 -0.11 0.00 -1.51 0.00 0.00 72.50 68.36 1knb s THR 489 CO 0.74 0.34 1.64 0.00 -2.21 0.00 0.00 174.62 175.13 1knb s ALA 490 N -1.06 3.82 0.69 11.08 0.00 -1.26 -4.94 121.76 130.09 1knb s ALA 490 Ca 0.19 1.55 -0.14 0.00 0.00 0.00 0.00 51.96 53.56 1knb s ALA 490 Cb -0.11 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.36 1knb s ALA 490 CO 0.10 -0.94 1.13 1.52 0.00 0.00 0.00 175.76 177.57 1knb s TYR 491 N 0.54 2.46 -0.19 0.00 -0.85 -1.26 -4.96 117.35 113.10 1knb s TYR 491 Ca 0.68 1.57 0.06 0.00 -0.52 0.00 0.00 57.07 58.86 1knb s TYR 491 Cb -0.48 -3.22 -0.08 0.00 0.38 0.00 0.00 41.96 38.56 1knb s TYR 491 CO 0.40 -1.93 0.22 0.25 -1.52 0.00 0.00 175.55 172.97 1knb n THR 492 N -2.65 0.00 -3.68 -3.49 -2.24 -1.26 -4.99 114.28 95.96 1knb n THR 492 Ca 0.11 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1knb n THR 492 Cb 0.52 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 1knb n THR 492 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1knb s ASN 493 N -1.99 -0.43 -0.12 3.42 3.84 -1.26 -4.84 114.94 113.57 1knb s ASN 493 Ca 0.01 0.96 0.23 0.00 0.21 0.00 0.00 52.86 54.26 1knb s ASN 493 Cb 0.04 1.04 0.43 0.00 -0.55 0.00 0.00 41.25 42.21 1knb s ASN 493 CO 0.25 -0.21 1.15 0.00 -2.79 0.00 0.00 177.10 175.51 1knb n ALA 494 N 4.73 2.56 0.13 1.71 0.00 -0.14 -4.92 120.51 124.58 1knb n ALA 494 Ca -0.17 -2.33 0.10 0.00 0.00 0.00 0.00 53.44 51.04 1knb n ALA 494 Cb 0.53 -0.77 0.60 0.00 0.00 0.00 0.00 19.45 19.80 1knb n ALA 494 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1knb h VAL 495 N 6.19 0.96 0.00 0.00 2.07 -1.88 -0.69 116.25 122.91 1knb h VAL 495 Ca -0.23 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1knb h VAL 495 Cb 1.60 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1knb h VAL 495 CO 0.09 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.32 1knb n GLY 496 N -1.54 -0.91 0.47 2.17 0.00 -1.26 -1.68 105.19 102.44 1knb n GLY 496 Ca 0.02 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1knb n GLY 496 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1knb n PHE 497 N -1.69 0.00 -2.89 1.61 3.01 -0.27 -4.56 117.46 112.67 1knb n PHE 497 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.15 1knb n PHE 497 Cb 0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.53 1knb n PHE 497 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1knb s MET 498 N -1.84 4.21 0.05 -1.08 -1.94 -0.68 -4.91 119.30 113.13 1knb s MET 498 Ca 0.16 1.04 -0.31 0.00 -1.71 0.00 0.00 55.69 54.87 1knb s MET 498 Cb 0.14 -2.30 -0.07 0.00 2.01 0.00 0.00 34.83 34.61 1knb s MET 498 CO 0.37 0.05 1.44 -2.14 -0.01 0.00 0.00 175.02 174.73 1knb s PRO 499 N -3.01 4.28 -0.02 2.03 0.02 -1.26 -0.33 135.00 136.70 1knb s PRO 499 Ca 0.59 2.07 -0.36 0.00 0.02 0.00 0.00 61.00 63.32 1knb s PRO 499 Cb -0.10 -3.46 -0.14 0.00 0.02 0.00 0.00 34.50 30.81 1knb s PRO 499 CO 0.15 -0.55 1.65 -1.71 -0.33 0.00 0.00 177.00 176.20 1knb n ASN 500 N 4.91 2.72 0.12 2.53 2.85 -0.12 -4.55 115.26 123.72 1knb n ASN 500 Ca 0.13 1.06 0.12 0.00 -0.11 0.00 0.00 54.58 55.78 1knb n ASN 500 Cb 0.43 -1.30 0.47 0.00 1.24 0.00 0.00 39.78 40.62 1knb n ASN 500 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1knb n LEU 501 N 4.57 0.68 0.01 1.20 4.77 -1.26 -0.74 117.00 126.23 1knb n LEU 501 Ca 0.21 0.64 -0.22 0.00 -0.03 0.00 0.00 56.01 56.61 1knb n LEU 501 Cb 0.23 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 1knb n LEU 501 CO 0.70 -0.46 -0.55 0.28 -1.33 0.00 0.00 177.39 176.02 1knb h SER 502 N 0.00 0.42 -0.35 -1.43 0.02 -1.97 -3.04 113.55 107.20 1knb h SER 502 Ca 0.00 -0.87 -0.17 0.00 -0.84 0.00 0.00 61.79 59.91 1knb h SER 502 Cb 0.45 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1knb h SER 502 CO 0.00 1.71 -0.43 0.00 -1.14 0.00 0.00 176.83 176.97 1knb h ALA 503 N -0.01 0.56 -2.67 3.77 0.00 -1.93 -3.37 119.26 115.60 1knb h ALA 503 Ca -0.35 -0.47 -0.60 0.00 0.00 0.00 0.00 54.91 53.49 1knb h ALA 503 Cb 1.87 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 19.16 1knb h ALA 503 CO 0.07 0.68 -0.80 0.71 0.00 0.00 0.00 179.25 179.91 1knb s TYR 504 N -4.32 2.14 0.55 0.00 2.02 0.08 -4.74 117.35 113.08 1knb s TYR 504 Ca -0.11 -2.75 -0.21 0.00 -0.37 0.00 0.00 57.07 53.63 1knb s TYR 504 Cb 0.11 -1.68 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 1knb s TYR 504 CO 0.88 -0.71 1.34 -2.14 -1.57 0.00 0.00 175.55 173.35 1knb s PRO 505 N -0.57 3.12 0.30 -1.71 0.02 -1.15 -4.36 135.00 130.65 1knb s PRO 505 Ca 0.29 2.18 -0.29 0.00 0.02 0.00 0.00 61.00 63.20 1knb s PRO 505 Cb -0.00 -2.22 -0.13 0.00 0.02 0.00 0.00 34.50 32.17 1knb s PRO 505 CO -0.18 -1.19 1.39 1.17 -0.33 0.00 0.00 177.00 177.85 1knb n LYS 506 N -1.09 2.21 0.00 5.54 3.00 -1.26 -1.71 118.16 124.85 1knb n LYS 506 Ca 0.11 0.78 0.00 0.00 -0.00 0.00 0.00 58.31 59.20 1knb n LYS 506 Cb 0.46 -2.42 0.00 0.00 0.00 0.00 0.00 35.03 33.06 1knb n LYS 506 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1knb n SER 507 N 1.44 0.00 -1.42 3.14 7.64 -0.61 -4.87 113.62 118.95 1knb n SER 507 Ca 0.07 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.91 1knb n SER 507 Cb 0.35 -0.17 0.02 0.00 -1.01 0.00 0.00 64.21 63.40 1knb n SER 507 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1knb n HIS 508 N -1.98 0.49 0.31 1.43 8.25 -0.69 -4.41 115.22 118.61 1knb n HIS 508 Ca 0.00 -1.03 0.19 0.00 -0.26 0.00 0.00 57.72 56.62 1knb n HIS 508 Cb 0.00 -0.51 0.99 0.00 1.12 0.00 0.00 29.99 31.59 1knb n HIS 508 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1knb h GLY 509 N 3.18 0.00 2.00 -1.41 0.00 -1.79 0.00 103.07 105.05 1knb h GLY 509 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 1knb h GLY 509 CO 0.21 0.00 -0.27 0.07 0.00 0.00 0.00 176.54 176.55 1knb h LYS 510 N 0.00 0.00 -6.55 4.80 5.09 -1.96 -3.44 116.57 114.51 1knb h LYS 510 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 60.65 60.21 1knb h LYS 510 Cb 0.14 0.00 0.05 0.00 0.10 0.00 0.00 32.23 32.51 1knb h LYS 510 CO 0.00 0.27 1.06 2.41 -2.09 0.00 0.00 179.45 181.10 1knb n THR 511 N -3.32 0.23 -0.21 0.07 -1.04 -0.01 -4.90 114.28 105.10 1knb n THR 511 Ca 0.01 -0.04 0.01 0.00 -2.04 0.00 0.00 64.05 61.99 1knb n THR 511 Cb 0.51 -2.03 0.11 0.00 -1.82 0.00 0.00 70.33 67.10 1knb n THR 511 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1knb h ALA 512 N 7.81 0.64 -0.34 2.41 0.00 -1.86 -1.92 119.26 126.00 1knb h ALA 512 Ca -0.45 0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1knb h ALA 512 Cb 1.22 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1knb h ALA 512 CO 0.95 -0.38 0.23 -0.22 0.00 0.00 0.00 179.25 179.83 1knb h LYS 513 N 0.14 0.19 0.00 0.00 3.64 -1.93 -1.68 116.57 116.93 1knb h LYS 513 Ca 0.33 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1knb h LYS 513 Cb 0.54 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1knb h LYS 513 CO -0.52 0.13 0.00 0.43 -2.27 0.00 0.00 179.45 177.22 1knb n SER 514 N -4.47 0.00 -4.38 4.20 7.64 -0.72 -4.76 113.62 111.12 1knb n SER 514 Ca 0.04 -0.87 -0.32 0.00 1.01 0.00 0.00 58.87 58.73 1knb n SER 514 Cb 0.27 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.33 1knb n SER 514 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1knb s ASN 515 N -1.93 3.48 -0.17 6.43 0.01 -0.63 -0.85 114.94 121.28 1knb s ASN 515 Ca 0.35 -0.35 0.01 0.00 -0.71 0.00 0.00 52.86 52.16 1knb s ASN 515 Cb 0.16 -0.61 0.02 0.00 0.41 0.00 0.00 41.25 41.23 1knb s ASN 515 CO 0.27 0.32 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.36 1knb s ILE 516 N -0.61 2.02 -0.08 0.60 1.01 -0.09 -4.97 121.20 119.07 1knb s ILE 516 Ca 0.09 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.85 1knb s ILE 516 Cb -0.11 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.55 1knb s ILE 516 CO 0.00 0.54 -0.17 -0.69 0.00 0.00 0.00 174.94 174.61 1knb s VAL 517 N 1.21 1.53 0.22 2.92 1.01 -1.26 -0.46 120.40 125.58 1knb s VAL 517 Ca 0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1knb s VAL 517 Cb -0.13 -1.36 0.03 0.00 0.00 0.00 0.00 36.38 34.91 1knb s VAL 517 CO -0.11 0.44 0.41 -0.24 0.00 0.00 0.00 175.10 175.61 1knb n SER 518 N 3.71 -1.20 -4.47 3.32 2.88 -0.42 -5.01 113.62 112.43 1knb n SER 518 Ca -0.21 -1.98 -0.33 0.00 -1.33 0.00 0.00 58.87 55.02 1knb n SER 518 Cb 0.52 2.04 -0.13 0.00 -0.75 0.00 0.00 64.21 65.89 1knb n SER 518 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1knb s GLN 519 N -2.16 2.88 0.46 -1.46 -0.21 -1.26 -0.58 119.66 117.32 1knb s GLN 519 Ca 0.11 -0.65 0.05 0.00 0.02 0.00 0.00 55.36 54.90 1knb s GLN 519 Cb -0.02 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 1knb s GLN 519 CO 0.08 0.49 0.13 0.14 -2.12 0.00 0.00 175.29 174.01 1knb s VAL 520 N -0.38 1.85 -0.06 1.09 -7.23 0.67 -4.92 120.40 111.42 1knb s VAL 520 Ca 0.04 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1knb s VAL 520 Cb -0.12 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.16 1knb s VAL 520 CO 0.02 0.00 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.38 1knb s TYR 521 N -2.72 1.47 0.14 2.82 1.51 -1.26 -0.37 117.35 118.94 1knb s TYR 521 Ca 0.30 -0.53 -0.31 0.00 -1.01 0.00 0.00 57.07 55.52 1knb s TYR 521 Cb 0.04 -1.07 -0.10 0.00 -0.11 0.00 0.00 41.96 40.72 1knb s TYR 521 CO 0.16 -0.26 1.68 -1.17 -1.11 0.00 0.00 175.55 174.85 1knb s LEU 522 N 0.58 4.38 -1.36 -1.29 2.96 0.04 -1.67 118.68 122.32 1knb s LEU 522 Ca -0.13 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.45 1knb s LEU 522 Cb -0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1knb s LEU 522 CO 0.04 -0.91 0.00 0.59 -1.32 0.00 0.00 176.35 174.74 1knb n ASN 523 N 4.71 -4.30 -1.31 3.68 3.02 0.12 -0.68 115.26 120.49 1knb n ASN 523 Ca 0.16 0.21 -0.17 0.00 -0.03 0.00 0.00 54.58 54.74 1knb n ASN 523 Cb 0.38 -3.72 -0.07 0.00 -0.61 0.00 0.00 39.78 35.75 1knb n ASN 523 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1knb n GLY 524 N -0.68 1.69 3.57 7.41 0.00 -0.73 -4.95 105.19 111.51 1knb n GLY 524 Ca -0.17 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1knb n GLY 524 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1knb s ASP 525 N -2.80 6.33 0.65 1.61 -1.08 0.14 -4.95 116.67 116.56 1knb s ASP 525 Ca 0.00 0.11 0.33 0.00 -0.52 0.00 0.00 52.55 52.47 1knb s ASP 525 Cb 0.00 -2.26 1.82 0.00 -1.46 0.00 0.00 42.92 41.01 1knb s ASP 525 CO 0.00 -0.41 2.06 0.07 0.52 0.00 0.00 175.17 177.41 1knb h LYS 526 N 8.34 0.00 -0.01 4.34 2.10 -1.92 -0.14 116.57 129.28 1knb h LYS 526 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1knb h LYS 526 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1knb h LYS 526 CO 0.75 0.00 -0.03 0.25 -2.00 0.00 0.00 179.45 178.42 1knb n THR 527 N -3.16 0.00 -3.43 0.07 -2.24 -1.26 -4.50 114.28 99.76 1knb n THR 527 Ca -0.01 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 1knb n THR 527 Cb 0.32 0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 1knb n THR 527 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1knb n LYS 528 N -0.11 2.00 -2.26 -0.78 5.02 -0.06 -5.09 118.16 116.88 1knb n LYS 528 Ca 0.19 -4.31 -0.36 0.00 -2.02 0.00 0.00 58.31 51.81 1knb n LYS 528 Cb 0.32 -2.03 -0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1knb n LYS 528 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1knb s PRO 529 N -2.00 3.59 -0.03 1.97 0.04 -1.26 -0.78 135.00 136.52 1knb s PRO 529 Ca 0.37 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1knb s PRO 529 Cb 0.13 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1knb s PRO 529 CO -0.06 -0.68 0.00 0.08 0.04 0.00 0.00 177.00 176.39 1knb s VAL 530 N -1.64 0.21 0.03 -0.36 1.01 0.50 -4.83 120.40 115.32 1knb s VAL 530 Ca 0.67 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.47 1knb s VAL 530 Cb -0.27 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1knb s VAL 530 CO 0.32 0.16 0.89 -0.89 0.00 0.00 0.00 175.10 175.57 1knb s THR 531 N 1.16 4.78 -0.16 3.92 2.01 -0.10 -0.24 115.64 127.01 1knb s THR 531 Ca -0.08 1.88 -0.01 0.00 0.31 0.00 0.00 61.69 63.79 1knb s THR 531 Cb -0.13 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 1knb s THR 531 CO -0.02 0.25 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.82 1knb s LEU 532 N 0.51 2.64 -0.19 4.42 0.20 0.25 -0.47 118.68 126.05 1knb s LEU 532 Ca 0.46 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.88 1knb s LEU 532 Cb -0.21 -1.61 0.02 0.00 -0.43 0.00 0.00 46.19 43.96 1knb s LEU 532 CO 0.26 0.09 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.33 1knb s THR 533 N 0.79 2.07 -0.22 3.68 2.01 0.07 -1.30 115.64 122.73 1knb s THR 533 Ca -0.05 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 60.90 1knb s THR 533 Cb -0.15 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1knb s THR 533 CO 0.01 0.50 0.05 -0.63 -0.69 0.00 0.00 174.62 173.86 1knb s ILE 534 N 1.28 4.30 -0.12 1.82 1.01 0.39 -0.78 121.20 129.11 1knb s ILE 534 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1knb s ILE 534 Cb -0.13 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1knb s ILE 534 CO -0.12 0.39 -0.16 -0.89 0.00 0.00 0.00 174.94 174.15 1knb s THR 535 N 1.17 2.77 -0.22 2.92 2.01 -0.43 -0.91 115.64 122.93 1knb s THR 535 Ca 0.04 -0.76 -0.09 0.00 0.31 0.00 0.00 61.69 61.19 1knb s THR 535 Cb -0.14 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1knb s THR 535 CO 0.03 0.53 0.10 -0.76 -0.69 0.00 0.00 174.62 173.84 1knb s LEU 536 N 0.36 3.88 -1.34 4.42 1.43 -0.02 -1.03 118.68 126.37 1knb s LEU 536 Ca -0.13 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1knb s LEU 536 Cb -0.16 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1knb s LEU 536 CO 0.07 0.10 0.29 0.59 0.23 0.00 0.00 176.35 177.62 1knb n ASN 537 N 4.07 -4.68 0.04 2.29 3.02 0.31 -4.68 115.26 115.63 1knb n ASN 537 Ca -0.16 -0.12 -0.21 0.00 -0.03 0.00 0.00 54.58 54.06 1knb n ASN 537 Cb 0.52 -3.87 -0.14 0.00 -0.61 0.00 0.00 39.78 35.67 1knb n ASN 537 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1knb h GLY 538 N -0.63 0.33 0.00 7.41 0.00 -1.79 -1.61 103.07 106.78 1knb h GLY 538 Ca -0.42 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.07 1knb h GLY 538 CO 0.49 0.74 0.00 -0.37 0.00 0.00 0.00 176.54 177.40 1knb n THR 539 N -4.02 0.00 -3.00 4.70 5.66 -1.26 -3.79 114.28 112.57 1knb n THR 539 Ca -0.19 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.72 1knb n THR 539 Cb 0.87 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.66 1knb n THR 539 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1knb n GLN 540 N 0.00 -2.03 -1.54 1.09 1.13 -1.26 -4.85 117.38 109.92 1knb n GLN 540 Ca 0.00 1.84 -0.52 0.00 -1.94 0.00 0.00 57.00 56.39 1knb n GLN 540 Cb 0.00 -5.26 -0.05 0.00 0.11 0.00 0.00 30.24 25.04 1knb n GLN 540 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1knb n GLU 541 N -0.78 0.76 -1.51 -1.09 4.71 -1.26 -4.81 120.64 116.65 1knb n GLU 541 Ca 0.05 0.27 -0.40 0.00 -0.01 0.00 0.00 57.16 57.08 1knb n GLU 541 Cb 0.50 -1.74 -0.05 0.00 -1.01 0.00 0.00 31.44 29.14 1knb n GLU 541 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1knb n THR 542 N 1.51 2.15 0.00 2.62 -1.04 -1.26 -4.88 114.28 113.38 1knb n THR 542 Ca 0.17 -1.99 0.00 0.00 -2.04 0.00 0.00 64.05 60.19 1knb n THR 542 Cb 0.20 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.39 1knb n THR 542 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1knb n GLY 543 N 4.83 3.88 3.55 3.41 0.00 -1.26 -3.97 105.19 115.63 1knb n GLY 543 Ca 0.49 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 1knb n GLY 543 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1knb s ASP 544 N -4.00 6.72 0.00 1.61 2.15 -1.26 -4.87 116.67 117.02 1knb s ASP 544 Ca 0.00 -2.10 0.00 0.00 0.43 0.00 0.00 52.55 50.88 1knb s ASP 544 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1knb s ASP 544 CO 0.00 -1.25 0.00 0.35 -0.17 0.00 0.00 175.17 174.10 1knb n THR 545 N 6.38 0.00 -3.60 1.71 -2.24 -1.25 -5.14 114.28 110.13 1knb n THR 545 Ca 0.40 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.80 1knb n THR 545 Cb 0.48 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.60 1knb n THR 545 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1knb s THR 546 N -1.86 5.03 0.37 4.28 -1.32 -1.26 -5.04 115.64 115.83 1knb s THR 546 Ca 0.00 -0.16 -0.27 0.00 -1.21 0.00 0.00 61.69 60.06 1knb s THR 546 Cb 0.00 -3.50 -0.09 0.00 -1.51 0.00 0.00 72.50 67.40 1knb s THR 546 CO 0.00 0.12 1.21 -2.84 -2.21 0.00 0.00 174.62 170.90 1knb s PRO 547 N 1.70 4.19 0.22 7.08 0.02 -1.26 -4.97 135.00 141.97 1knb s PRO 547 Ca 0.06 1.97 0.05 0.00 0.02 0.00 0.00 61.00 63.09 1knb s PRO 547 Cb -0.17 -2.85 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 1knb s PRO 547 CO 0.09 -0.24 0.31 -1.54 -0.33 0.00 0.00 177.00 175.28 1knb s SER 548 N -0.89 6.18 -0.02 2.53 1.04 -1.26 -4.97 113.70 116.30 1knb s SER 548 Ca 0.53 0.04 0.06 0.00 0.48 0.00 0.00 55.95 57.06 1knb s SER 548 Cb -0.34 -1.79 -0.24 0.00 0.10 0.00 0.00 66.02 63.75 1knb s SER 548 CO 0.44 -0.03 0.75 0.00 0.98 0.00 0.00 173.24 175.38 1knb h ALA 549 N 1.50 0.56 -2.35 5.32 0.00 -1.23 -3.48 119.26 119.57 1knb h ALA 549 Ca -0.50 -1.30 -0.12 0.00 0.00 0.00 0.00 54.91 52.99 1knb h ALA 549 Cb 1.22 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 19.24 1knb h ALA 549 CO 0.63 1.40 -0.61 0.71 0.00 0.00 0.00 179.25 181.38 1knb s TYR 550 N -2.61 0.42 0.08 0.00 2.02 -1.04 -4.95 117.35 111.26 1knb s TYR 550 Ca -0.07 -0.91 -0.26 0.00 -0.37 0.00 0.00 57.07 55.45 1knb s TYR 550 Cb 0.08 -0.30 0.07 0.00 -0.40 0.00 0.00 41.96 41.40 1knb s TYR 550 CO 0.82 -0.40 0.62 -1.54 -1.57 0.00 0.00 175.55 173.49 1knb s SER 551 N -2.78 -0.60 -0.04 2.29 1.04 -1.26 -1.01 113.70 111.34 1knb s SER 551 Ca 0.05 0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 1knb s SER 551 Cb 0.06 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.78 1knb s SER 551 CO -0.09 -0.82 0.03 -0.04 0.98 0.00 0.00 173.24 173.29 1knb s MET 552 N -2.74 0.21 0.04 4.02 -1.94 -0.38 -0.53 119.30 117.98 1knb s MET 552 Ca -0.04 0.21 0.09 0.00 -1.71 0.00 0.00 55.69 54.24 1knb s MET 552 Cb -0.01 -0.60 -0.03 0.00 2.01 0.00 0.00 34.83 36.20 1knb s MET 552 CO -0.04 -0.26 -0.25 -1.54 -0.01 0.00 0.00 175.02 172.92 1knb s SER 553 N 1.72 3.01 -0.13 3.03 1.04 -0.20 -0.64 113.70 121.53 1knb s SER 553 Ca -0.00 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1knb s SER 553 Cb -0.13 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.72 1knb s SER 553 CO -0.03 0.25 -0.19 -0.36 0.98 0.00 0.00 173.24 173.88 1knb s PHE 554 N -0.78 2.70 -0.17 5.02 0.40 0.53 -1.32 117.98 124.35 1knb s PHE 554 Ca 0.11 -1.07 -0.00 0.00 -0.60 0.00 0.00 56.93 55.37 1knb s PHE 554 Cb -0.10 -1.82 0.04 0.00 0.51 0.00 0.00 43.02 41.66 1knb s PHE 554 CO 0.02 -0.46 -0.06 0.45 0.70 0.00 0.00 175.22 175.86 1knb s SER 555 N 0.63 2.95 -0.18 1.36 0.15 0.04 -1.02 113.70 117.63 1knb s SER 555 Ca -0.10 -0.71 -0.07 0.00 0.70 0.00 0.00 55.95 55.76 1knb s SER 555 Cb -0.16 -0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 63.12 1knb s SER 555 CO 0.03 -0.17 0.06 0.26 1.20 0.00 0.00 173.24 174.61 1knb s TRP 556 N 1.58 3.26 -0.04 3.44 0.51 -0.08 -0.75 118.94 126.86 1knb s TRP 556 Ca 0.00 0.08 0.01 0.00 -2.12 0.00 0.00 56.10 54.08 1knb s TRP 556 Cb -0.15 -2.07 0.02 0.00 -0.81 0.00 0.00 33.47 30.45 1knb s TRP 556 CO -0.08 0.17 -0.04 0.34 -0.51 0.00 0.00 176.95 176.83 1knb s ASP 557 N 0.32 0.83 -0.15 2.95 -1.08 0.38 -1.09 116.67 118.84 1knb s ASP 557 Ca 0.03 -0.11 0.17 0.00 -0.52 0.00 0.00 52.55 52.12 1knb s ASP 557 Cb -0.12 -0.38 0.43 0.00 -1.46 0.00 0.00 42.92 41.39 1knb s ASP 557 CO 0.00 -0.04 1.19 -2.67 0.52 0.00 0.00 175.17 174.17 1knb n TRP 558 N 3.92 0.37 -1.61 -5.34 2.14 -0.51 -0.92 117.44 115.48 1knb n TRP 558 Ca -0.25 -1.27 -0.48 0.00 2.07 0.00 0.00 57.50 57.58 1knb n TRP 558 Cb 0.51 -0.22 -0.04 0.00 -0.81 0.00 0.00 31.31 30.75 1knb n TRP 558 CO 0.00 0.00 0.00 0.43 2.07 0.00 0.00 177.69 180.19 1knb n SER 559 N -0.46 1.97 0.00 -0.67 7.64 -1.22 -1.17 113.62 119.71 1knb n SER 559 Ca 0.16 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1knb n SER 559 Cb 0.89 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1knb n SER 559 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1knb n GLY 560 N 2.32 0.93 3.47 0.23 0.00 -1.26 -5.04 105.19 105.85 1knb n GLY 560 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1knb n GLY 560 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1knb s HIS 561 N -2.88 2.53 -0.53 1.61 4.02 -0.31 -5.08 115.29 114.65 1knb s HIS 561 Ca 0.00 -0.27 -0.08 0.00 1.02 0.00 0.00 55.06 55.73 1knb s HIS 561 Cb 0.00 -1.38 0.14 0.00 -1.02 0.00 0.00 32.58 30.31 1knb s HIS 561 CO 0.00 0.33 0.40 1.21 1.02 0.00 0.00 174.74 177.70 1knb s ASN 562 N -1.89 5.72 -0.19 1.40 3.04 -1.26 -4.86 114.94 116.90 1knb s ASN 562 Ca 0.17 -2.14 0.16 0.00 0.04 0.00 0.00 52.86 51.08 1knb s ASN 562 Cb -0.11 -2.00 0.49 0.00 -1.54 0.00 0.00 41.25 38.10 1knb s ASN 562 CO 0.08 -0.63 1.39 -1.22 -3.04 0.00 0.00 177.10 173.69 1knb n TYR 563 N 4.58 0.83 -1.68 0.43 4.01 -1.26 -5.03 117.16 119.04 1knb n TYR 563 Ca -0.03 -0.99 -0.44 0.00 -0.16 0.00 0.00 57.90 56.28 1knb n TYR 563 Cb 0.41 -0.32 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1knb n TYR 563 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1knb n ILE 564 N -0.72 0.83 -0.98 -0.72 5.41 -1.26 -1.64 119.36 120.28 1knb n ILE 564 Ca 0.22 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1knb n ILE 564 Cb 0.88 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 1knb n ILE 564 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1knb n ASN 565 N 2.33 -0.08 -4.88 4.38 5.03 0.06 -4.94 115.26 117.16 1knb n ASN 565 Ca 0.12 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.24 1knb n ASN 565 Cb 0.32 -0.01 -0.05 0.00 -1.02 0.00 0.00 39.78 39.01 1knb n ASN 565 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1knb s GLU 566 N -0.02 3.70 0.08 3.52 0.41 -0.65 -4.75 118.70 120.98 1knb s GLU 566 Ca 0.00 0.07 -0.28 0.00 -0.41 0.00 0.00 54.97 54.35 1knb s GLU 566 Cb 0.00 -2.88 -0.05 0.00 -1.78 0.00 0.00 34.13 29.42 1knb s GLU 566 CO 0.00 0.48 0.90 0.42 -0.49 0.00 0.00 175.26 176.58 1knb s ILE 567 N -1.57 4.61 -0.60 -1.63 -1.09 -1.26 -0.43 121.20 119.22 1knb s ILE 567 Ca 0.39 1.94 -0.27 0.00 -2.23 0.00 0.00 60.65 60.47 1knb s ILE 567 Cb -0.13 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.49 1knb s ILE 567 CO 0.21 0.31 1.67 0.12 -1.23 0.00 0.00 174.94 176.03 1knb s PHE 568 N 0.10 1.89 -0.09 3.97 5.36 -0.67 -4.75 117.98 123.79 1knb s PHE 568 Ca 0.45 0.57 -0.05 0.00 -0.96 0.00 0.00 56.93 56.94 1knb s PHE 568 Cb -0.22 -4.24 0.04 0.00 -0.34 0.00 0.00 43.02 38.26 1knb s PHE 568 CO 0.28 -2.26 0.22 0.00 -1.46 0.00 0.00 175.22 172.00 1knb s ALA 569 N 7.77 -0.47 0.27 11.12 0.00 -1.26 -0.88 121.76 138.31 1knb s ALA 569 Ca 0.60 0.91 0.09 0.00 0.00 0.00 0.00 51.96 53.55 1knb s ALA 569 Cb -0.12 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 1knb s ALA 569 CO 0.21 -0.20 0.08 0.95 0.00 0.00 0.00 175.76 176.80 1knb s THR 570 N 1.28 3.74 0.81 0.00 -4.23 -0.57 0.16 115.64 116.83 1knb s THR 570 Ca -0.09 -1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 58.59 1knb s THR 570 Cb -0.11 -3.04 0.08 0.00 1.34 0.00 0.00 72.50 70.77 1knb s THR 570 CO -0.08 -0.35 1.09 -0.94 -0.54 0.00 0.00 174.62 173.80 1knb s SER 571 N -3.75 4.28 0.39 3.99 1.04 -0.67 -4.50 113.70 114.48 1knb s SER 571 Ca 0.33 1.46 -0.24 0.00 0.48 0.00 0.00 55.95 57.98 1knb s SER 571 Cb -0.07 -2.19 -0.09 0.00 0.10 0.00 0.00 66.02 63.77 1knb s SER 571 CO 0.22 -2.13 1.01 -0.44 0.98 0.00 0.00 173.24 172.88 1knb s SER 572 N -3.68 6.88 -0.02 7.02 0.01 -1.26 -4.72 113.70 117.92 1knb s SER 572 Ca 0.61 1.93 0.01 0.00 1.31 0.00 0.00 55.95 59.81 1knb s SER 572 Cb -0.16 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.51 1knb s SER 572 CO 0.55 -0.40 -0.04 -0.47 0.41 0.00 0.00 173.24 173.29 1knb s TYR 573 N -1.76 0.54 -0.12 2.43 5.04 -0.68 -4.97 117.35 117.82 1knb s TYR 573 Ca 0.58 -0.11 -0.05 0.00 -2.44 0.00 0.00 57.07 55.05 1knb s TYR 573 Cb -0.19 -0.43 -0.04 0.00 0.35 0.00 0.00 41.96 41.66 1knb s TYR 573 CO 0.24 -0.08 0.05 0.99 -1.34 0.00 0.00 175.55 175.41 1knb s THR 574 N 0.34 4.72 0.22 4.34 2.01 -1.26 -1.09 115.64 124.91 1knb s THR 574 Ca -0.04 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.72 1knb s THR 574 Cb -0.08 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.40 1knb s THR 574 CO -0.00 0.57 0.51 0.72 -0.69 0.00 0.00 174.62 175.72 1knb s PHE 575 N -0.54 0.06 0.10 4.92 -0.71 -0.62 -5.01 117.98 116.18 1knb s PHE 575 Ca 0.10 -0.43 -0.01 0.00 -1.04 0.00 0.00 56.93 55.55 1knb s PHE 575 Cb -0.12 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 1knb s PHE 575 CO 0.02 -0.95 0.02 -1.54 -1.34 0.00 0.00 175.22 171.43 1knb s SER 576 N -2.93 0.38 0.11 1.98 1.04 -1.26 -0.61 113.70 112.41 1knb s SER 576 Ca 0.14 -1.12 -0.17 0.00 0.48 0.00 0.00 55.95 55.27 1knb s SER 576 Cb -0.01 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.41 1knb s SER 576 CO 0.02 -0.68 0.43 -0.72 0.98 0.00 0.00 173.24 173.27 1knb s TYR 577 N -4.00 -0.26 0.04 5.02 -0.85 -0.98 -4.96 117.35 111.36 1knb s TYR 577 Ca 0.17 0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.43 1knb s TYR 577 Cb 0.08 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.65 1knb s TYR 577 CO -0.03 -0.70 1.22 0.42 -1.52 0.00 0.00 175.55 174.94 1knb s ILE 578 N -3.54 4.03 0.46 -3.49 1.01 -1.26 -1.06 121.20 117.35 1knb s ILE 578 Ca 0.01 1.44 -0.16 0.00 0.00 0.00 0.00 60.65 61.94 1knb s ILE 578 Cb 0.01 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 1knb s ILE 578 CO -0.10 0.08 0.92 0.00 0.00 0.00 0.00 174.94 175.84 1knb s ALA 579 N 1.36 3.13 0.24 9.38 0.00 0.16 -0.94 121.76 135.09 1knb s ALA 579 Ca 0.59 0.15 -0.06 0.00 0.00 0.00 0.00 51.96 52.64 1knb s ALA 579 Cb -0.29 -3.02 0.24 0.00 0.00 0.00 0.00 23.12 20.04 1knb s ALA 579 CO 0.28 -0.07 1.80 0.37 0.00 0.00 0.00 175.76 178.15 1knb h GLN 580 N 1.31 1.11 0.00 0.00 5.75 -0.85 -3.37 115.11 119.06 1knb h GLN 580 Ca -0.47 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 57.83 1knb h GLN 580 Cb 1.18 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1knb h GLN 580 CO 0.62 0.90 0.00 -0.85 -2.65 0.00 0.00 178.83 176.85