#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtn s ARG 391 N 0.00 3.42 0.01 -0.78 1.81 -1.26 -5.10 118.95 117.05 1qtn s ARG 391 Ca 0.00 -0.43 0.08 0.00 -1.72 0.00 0.00 55.73 53.66 1qtn s ARG 391 Cb 0.00 -3.04 -0.02 0.00 -0.45 0.00 0.00 34.95 31.44 1qtn s ARG 391 CO 0.00 0.62 -0.24 0.71 -0.68 0.00 0.00 175.30 175.71 1qtn s TYR 392 N -1.47 2.12 0.35 -0.53 1.51 -1.26 -5.14 117.35 112.92 1qtn s TYR 392 Ca 0.34 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 56.04 1qtn s TYR 392 Cb -0.13 -1.33 -0.07 0.00 -0.11 0.00 0.00 41.96 40.33 1qtn s TYR 392 CO 0.26 0.02 0.05 0.96 -1.11 0.00 0.00 175.55 175.73 1qtn s ILE 393 N -0.65 1.34 0.45 2.71 -4.36 -1.26 -5.13 121.20 114.29 1qtn s ILE 393 Ca 0.09 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.24 1qtn s ILE 393 Cb -0.09 -2.82 -0.08 0.00 1.25 0.00 0.00 42.46 40.72 1qtn s ILE 393 CO 0.00 0.00 1.27 -2.84 0.24 0.00 0.00 174.94 173.61 1qtn s PRO 394 N -3.85 3.76 0.40 0.37 0.02 -1.26 -4.91 135.00 129.54 1qtn s PRO 394 Ca 0.36 2.04 0.19 0.00 0.02 0.00 0.00 61.00 63.61 1qtn s PRO 394 Cb 0.09 -2.56 1.13 0.00 0.02 0.00 0.00 34.50 33.18 1qtn s PRO 394 CO 0.16 -0.63 1.76 0.22 -0.33 0.00 0.00 177.00 178.18 1qtn h ASP 395 N 2.27 0.42 -0.62 2.53 3.58 -2.05 -1.97 116.42 120.59 1qtn h ASP 395 Ca -0.50 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1qtn h ASP 395 Cb 1.26 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1qtn h ASP 395 CO 0.61 0.07 0.00 -0.62 -2.88 0.00 0.00 179.24 176.42 1qtn n GLU 396 N -4.62 4.04 -1.37 0.28 1.02 -1.26 -4.98 120.64 113.74 1qtn n GLU 396 Ca 0.26 -2.96 -0.31 0.00 -0.02 0.00 0.00 57.16 54.12 1qtn n GLU 396 Cb 0.92 -1.99 0.08 0.00 -0.02 0.00 0.00 31.44 30.42 1qtn n GLU 396 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qtn s ALA 397 N -2.12 2.38 -0.84 0.62 0.00 -0.74 -4.36 121.76 116.70 1qtn s ALA 397 Ca 0.52 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1qtn s ALA 397 Cb 0.35 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1qtn s ALA 397 CO 0.22 -1.59 0.00 -0.25 0.00 0.00 0.00 175.76 174.14 1qtn n ASP 398 N -3.36 -3.46 -4.87 0.00 8.00 -0.70 -4.94 116.55 107.22 1qtn n ASP 398 Ca 0.09 0.07 -0.33 0.00 0.71 0.00 0.00 54.79 55.33 1qtn n ASP 398 Cb 0.53 -2.41 -0.05 0.00 -0.02 0.00 0.00 41.12 39.16 1qtn n ASP 398 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qtn s PHE 399 N -2.41 3.46 -0.07 1.24 0.40 -1.26 -4.78 117.98 114.56 1qtn s PHE 399 Ca 0.00 0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.62 1qtn s PHE 399 Cb 0.00 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.77 1qtn s PHE 399 CO 0.00 0.61 -0.04 -1.17 0.70 0.00 0.00 175.22 175.32 1qtn s LEU 400 N -1.98 1.04 -0.25 -0.37 2.96 -1.26 -0.54 118.68 118.29 1qtn s LEU 400 Ca 0.27 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1qtn s LEU 400 Cb -0.12 -0.57 0.04 0.00 0.50 0.00 0.00 46.19 46.04 1qtn s LEU 400 CO 0.19 -0.12 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.80 1qtn s LEU 401 N 1.48 3.20 -0.50 -0.68 2.96 0.14 -5.01 118.68 120.28 1qtn s LEU 401 Ca -0.02 -1.04 -0.16 0.00 -0.22 0.00 0.00 54.13 52.70 1qtn s LEU 401 Cb -0.13 -1.61 0.08 0.00 0.50 0.00 0.00 46.19 45.03 1qtn s LEU 401 CO -0.04 -0.14 0.46 -0.83 -1.32 0.00 0.00 176.35 174.48 1qtn s GLY 402 N 1.25 2.01 0.00 7.98 0.00 -1.26 -0.91 107.32 116.39 1qtn s GLY 402 Ca -0.02 -2.15 -0.14 0.00 0.00 0.00 0.00 44.72 42.40 1qtn s GLY 402 CO -0.05 1.16 0.40 1.06 0.00 0.00 0.00 173.10 175.67 1qtn s MET 403 N 1.82 3.88 0.53 2.90 -1.94 -0.92 -4.98 119.30 120.59 1qtn s MET 403 Ca 0.06 0.37 0.31 0.00 -1.71 0.00 0.00 55.69 54.72 1qtn s MET 403 Cb -0.25 -3.20 1.41 0.00 2.01 0.00 0.00 34.83 34.80 1qtn s MET 403 CO 0.07 0.69 2.01 0.00 -0.01 0.00 0.00 175.02 177.77 1qtn h ALA 404 N 4.64 1.06 -2.51 3.03 0.00 -1.92 -1.21 119.26 122.35 1qtn h ALA 404 Ca -0.52 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 1qtn h ALA 404 Cb 1.22 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 1qtn h ALA 404 CO 0.62 0.10 -0.26 -0.08 0.00 0.00 0.00 179.25 179.62 1qtn s THR 405 N -3.83 0.06 0.94 0.00 -1.32 -1.26 -3.26 115.64 106.98 1qtn s THR 405 Ca -0.01 -0.53 -0.10 0.00 -1.21 0.00 0.00 61.69 59.84 1qtn s THR 405 Cb 0.11 -0.72 0.15 0.00 -1.51 0.00 0.00 72.50 70.53 1qtn s THR 405 CO 0.56 -0.29 1.07 1.33 -2.21 0.00 0.00 174.62 175.08 1qtn n VAL 406 N 1.06 0.00 -1.39 5.08 0.24 -0.25 -4.65 118.33 118.41 1qtn n VAL 406 Ca -0.21 -0.05 -0.35 0.00 -2.04 0.00 0.00 64.34 61.70 1qtn n VAL 406 Cb 0.57 -0.97 0.10 0.00 -1.47 0.00 0.00 33.84 32.07 1qtn n VAL 406 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1qtn s ASN 407 N -2.57 4.06 0.00 -1.34 2.47 -1.26 -3.52 114.94 112.78 1qtn s ASN 407 Ca 0.66 2.43 0.00 0.00 0.42 0.00 0.00 52.86 56.37 1qtn s ASN 407 Cb -0.23 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 36.97 1qtn s ASN 407 CO 0.59 -2.36 0.00 0.59 -3.72 0.00 0.00 177.10 172.21 1qtn n ASN 408 N -2.73 0.00 -4.52 -4.21 5.03 -1.26 -5.00 115.26 102.56 1qtn n ASN 408 Ca 0.14 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.35 1qtn n ASN 408 Cb 0.50 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.17 1qtn n ASN 408 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qtn s VAL 410 N -2.46 3.80 0.24 0.00 -7.23 -1.26 -4.91 120.40 108.57 1qtn s VAL 410 Ca 0.30 0.58 0.09 0.00 -1.81 0.00 0.00 61.98 61.14 1qtn s VAL 410 Cb -0.05 -3.34 -0.05 0.00 0.56 0.00 0.00 36.38 33.50 1qtn s VAL 410 CO 0.16 -0.76 -0.14 -0.94 -0.31 0.00 0.00 175.10 173.11 1qtn s SER 411 N -3.85 2.85 -0.03 4.85 1.04 -1.26 -4.87 113.70 112.43 1qtn s SER 411 Ca 0.59 -1.05 -0.00 0.00 0.48 0.00 0.00 55.95 55.96 1qtn s SER 411 Cb -0.14 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 1qtn s SER 411 CO 0.55 -0.15 0.03 -0.31 0.98 0.00 0.00 173.24 174.33 1qtn s TYR 412 N -2.87 3.17 -0.11 5.02 2.02 -1.26 -5.08 117.35 118.24 1qtn s TYR 412 Ca 0.25 0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 57.10 1qtn s TYR 412 Cb -0.01 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.85 1qtn s TYR 412 CO 0.10 0.49 -0.04 0.50 -1.57 0.00 0.00 175.55 175.03 1qtn s ARG 413 N -1.40 1.14 -0.30 -0.62 3.52 -1.26 -2.15 118.95 117.88 1qtn s ARG 413 Ca 0.18 -0.17 -0.21 0.00 -0.13 0.00 0.00 55.73 55.41 1qtn s ARG 413 Cb -0.12 -1.46 -0.01 0.00 -1.56 0.00 0.00 34.95 31.81 1qtn s ARG 413 CO 0.09 -0.32 0.65 1.21 -0.81 0.00 0.00 175.30 176.11 1qtn s ASN 414 N 1.80 6.52 0.57 -2.12 3.04 0.03 -4.96 114.94 119.82 1qtn s ASN 414 Ca 0.04 0.47 0.27 0.00 0.04 0.00 0.00 52.86 53.68 1qtn s ASN 414 Cb -0.13 -2.34 1.55 0.00 -1.54 0.00 0.00 41.25 38.79 1qtn s ASN 414 CO -0.07 -0.49 2.06 -0.65 -3.04 0.00 0.00 177.10 174.91 1qtn h PRO 415 N 8.16 0.00 -0.00 0.43 0.11 -2.00 0.14 132.00 138.84 1qtn h PRO 415 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1qtn h PRO 415 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1qtn h PRO 415 CO 0.81 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 178.19 1qtn n ALA 416 N -2.41 3.36 0.00 -0.75 0.00 -1.26 -4.61 120.51 114.84 1qtn n ALA 416 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1qtn n ALA 416 Cb 0.40 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1qtn n ALA 416 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qtn n GLU 417 N -1.21 3.33 0.00 0.00 -0.58 -0.65 -5.17 120.64 116.36 1qtn n GLU 417 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1qtn n GLU 417 Cb 0.34 -0.59 0.00 0.00 -0.57 0.00 0.00 31.44 30.62 1qtn n GLU 417 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qtn n GLY 418 N 0.63 -1.06 3.87 0.62 0.00 0.39 -4.96 105.19 104.69 1qtn n GLY 418 Ca 0.00 -2.21 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 1qtn n GLY 418 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qtn s THR 419 N -0.45 4.80 0.16 2.61 -4.23 -1.26 -0.79 115.64 116.48 1qtn s THR 419 Ca 0.00 0.60 -0.16 0.00 -1.18 0.00 0.00 61.69 60.96 1qtn s THR 419 Cb 0.00 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 70.16 1qtn s THR 419 CO 0.00 -0.47 1.75 -0.50 -0.54 0.00 0.00 174.62 174.86 1qtn h TRP 420 N 1.40 0.23 0.36 3.99 4.06 -1.83 -1.80 115.95 122.36 1qtn h TRP 420 Ca -0.47 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.48 1qtn h TRP 420 Cb 1.19 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1qtn h TRP 420 CO 0.61 0.09 -0.17 -0.92 -3.56 0.00 0.00 178.44 174.48 1qtn h TYR 421 N 0.28 -0.45 -0.60 0.49 3.20 -1.91 -2.33 116.97 115.65 1qtn h TYR 421 Ca 0.18 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1qtn h TYR 421 Cb 0.16 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1qtn h TYR 421 CO -0.15 -0.13 0.10 0.82 -1.64 0.00 0.00 178.16 177.16 1qtn h ILE 422 N -0.80 1.26 -0.64 1.81 1.08 -1.94 0.11 117.51 118.39 1qtn h ILE 422 Ca -0.05 -0.99 -0.04 0.00 -0.39 0.00 0.00 64.86 63.39 1qtn h ILE 422 Cb 0.52 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 1qtn h ILE 422 CO 0.08 0.36 0.25 1.56 -0.69 0.00 0.00 178.15 179.72 1qtn h GLN 423 N 0.89 0.96 -0.40 2.37 1.08 -1.41 -0.48 115.11 118.13 1qtn h GLN 423 Ca 0.18 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1qtn h GLN 423 Cb 0.42 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1qtn h GLN 423 CO 0.01 0.81 0.07 1.03 -0.95 0.00 0.00 178.83 179.79 1qtn h SER 424 N 0.90 0.63 -0.19 1.46 0.87 -1.20 -1.72 113.55 114.30 1qtn h SER 424 Ca 0.21 -0.26 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 1qtn h SER 424 Cb 0.21 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 1qtn h SER 424 CO -0.02 0.73 -0.10 0.25 -0.53 0.00 0.00 176.83 177.16 1qtn h LEU 425 N 0.50 -0.34 -0.64 2.23 5.85 -0.57 -1.18 115.31 121.17 1qtn h LEU 425 Ca 0.12 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 1qtn h LEU 425 Cb 0.37 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1qtn h LEU 425 CO 0.01 -0.14 0.04 0.00 -0.34 0.00 0.00 178.44 178.01 1qtn h GLN 427 N 1.01 0.75 -0.44 0.00 4.15 -1.12 -0.73 115.11 118.73 1qtn h GLN 427 Ca 0.19 -0.09 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 1qtn h GLN 427 Cb 0.52 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1qtn h GLN 427 CO 0.02 0.58 -0.10 0.77 -1.93 0.00 0.00 178.83 178.18 1qtn h SER 428 N 0.72 0.85 -0.21 -0.69 0.02 -1.00 -1.84 113.55 111.40 1qtn h SER 428 Ca 0.19 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1qtn h SER 428 Cb 0.05 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1qtn h SER 428 CO -0.03 1.01 0.13 -0.07 -1.14 0.00 0.00 176.83 176.73 1qtn h LEU 429 N 0.68 0.24 -1.28 5.07 3.38 -0.94 0.02 115.31 122.48 1qtn h LEU 429 Ca 0.11 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1qtn h LEU 429 Cb 0.63 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1qtn h LEU 429 CO 0.04 0.19 0.12 0.03 0.09 0.00 0.00 178.44 178.92 1qtn h ARG 430 N 0.27 0.62 -0.01 1.13 3.08 -0.98 -0.89 114.38 117.59 1qtn h ARG 430 Ca 0.07 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 1qtn h ARG 430 Cb -0.01 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 29.94 1qtn h ARG 430 CO -0.02 0.55 -0.59 0.93 -1.07 0.00 0.00 179.97 179.78 1qtn h GLU 431 N 0.61 0.41 0.00 0.04 5.08 -1.22 -3.41 114.58 116.09 1qtn h GLU 431 Ca 0.14 -0.44 -0.27 0.00 -1.00 0.00 0.00 59.36 57.80 1qtn h GLU 431 Cb 0.20 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1qtn h GLU 431 CO -0.01 1.10 -2.16 0.54 -1.00 0.00 0.00 179.01 177.48 1qtn n ARG 432 N -4.22 0.67 -0.35 2.33 1.74 -0.02 -4.32 116.66 112.49 1qtn n ARG 432 Ca -0.10 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.04 1qtn n ARG 432 Cb 0.67 -1.57 0.24 0.00 -1.02 0.00 0.00 32.46 30.77 1qtn n ARG 432 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qtn h PRO 434 N 1.02 0.00 -0.00 0.00 0.11 -1.79 -1.39 132.00 129.95 1qtn h PRO 434 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1qtn h PRO 434 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1qtn h PRO 434 CO -0.22 0.04 -0.15 0.54 -0.21 0.00 0.00 178.00 178.00 1qtn n ARG 435 N -3.51 0.52 -0.83 1.05 5.12 -0.66 -4.94 116.66 113.42 1qtn n ARG 435 Ca -0.02 -0.18 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1qtn n ARG 435 Cb 0.14 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 1qtn n ARG 435 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qtn n GLY 436 N 1.34 0.57 3.77 -0.13 0.00 -0.52 -5.04 105.19 105.18 1qtn n GLY 436 Ca 0.12 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1qtn n GLY 436 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qtn s ASP 437 N -2.09 6.03 0.62 1.61 1.01 -1.08 -4.97 116.67 117.80 1qtn s ASP 437 Ca 0.00 2.45 -0.06 0.00 0.71 0.00 0.00 52.55 55.65 1qtn s ASP 437 Cb 0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.33 1qtn s ASP 437 CO 0.00 -1.02 0.93 1.51 0.21 0.00 0.00 175.17 176.80 1qtn s ASP 438 N -1.18 5.43 0.32 0.27 -4.77 -1.26 -4.66 116.67 110.82 1qtn s ASP 438 Ca 0.64 0.67 0.05 0.00 -3.30 0.00 0.00 52.55 50.60 1qtn s ASP 438 Cb -0.32 -1.58 0.54 0.00 -1.09 0.00 0.00 42.92 40.46 1qtn s ASP 438 CO 0.39 -1.18 1.79 -0.29 0.70 0.00 0.00 175.17 176.59 1qtn h ILE 439 N -0.27 1.24 -0.27 2.11 6.09 -1.20 -1.41 117.51 123.80 1qtn h ILE 439 Ca -0.45 -1.11 -0.12 0.00 -1.37 0.00 0.00 64.86 61.81 1qtn h ILE 439 Cb 1.27 1.30 -0.01 0.00 0.47 0.00 0.00 36.82 39.85 1qtn h ILE 439 CO 0.61 0.35 -0.35 -0.07 -3.07 0.00 0.00 178.15 175.62 1qtn h LEU 440 N 0.36 0.60 -0.41 2.19 3.38 -1.94 0.94 115.31 120.42 1qtn h LEU 440 Ca 0.06 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1qtn h LEU 440 Cb 0.56 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1qtn h LEU 440 CO 0.04 0.90 0.04 0.74 0.09 0.00 0.00 178.44 180.25 1qtn h THR 441 N 0.49 1.25 -0.54 0.22 2.02 -1.84 -1.05 112.91 113.46 1qtn h THR 441 Ca 0.05 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1qtn h THR 441 Cb 0.83 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1qtn h THR 441 CO 0.07 0.32 0.35 0.40 0.37 0.00 0.00 175.52 177.03 1qtn h ILE 442 N 0.55 1.15 0.00 3.11 2.04 -1.07 -2.16 117.51 121.13 1qtn h ILE 442 Ca 0.12 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1qtn h ILE 442 Cb 0.42 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1qtn h ILE 442 CO 0.01 0.14 -0.33 -0.07 0.00 0.00 0.00 178.15 177.90 1qtn h LEU 443 N 0.73 0.00 -0.49 1.44 3.38 -0.67 -0.88 115.31 118.83 1qtn h LEU 443 Ca 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1qtn h LEU 443 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1qtn h LEU 443 CO -0.04 0.33 0.18 0.74 0.09 0.00 0.00 178.44 179.75 1qtn h THR 444 N 0.00 1.22 -0.78 0.22 2.02 -0.77 -1.06 112.91 113.76 1qtn h THR 444 Ca -0.00 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1qtn h THR 444 Cb 0.64 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1qtn h THR 444 CO 0.04 0.25 0.36 -0.08 0.37 0.00 0.00 175.52 176.47 1qtn h GLU 445 N 0.65 1.12 -0.63 6.66 4.81 -0.73 -1.05 114.58 125.41 1qtn h GLU 445 Ca 0.16 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1qtn h GLU 445 Cb 0.22 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1qtn h GLU 445 CO -0.01 0.88 0.41 0.28 -0.73 0.00 0.00 179.01 179.84 1qtn h VAL 446 N 1.10 1.17 -0.43 0.32 2.07 -0.98 0.51 116.25 120.00 1qtn h VAL 446 Ca 0.27 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1qtn h VAL 446 Cb 0.13 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.09 1qtn h VAL 446 CO -0.03 0.16 0.02 0.78 0.02 0.00 0.00 177.57 178.52 1qtn h ASN 447 N 0.86 -0.13 -0.14 0.57 -0.26 -0.67 -0.49 115.58 115.31 1qtn h ASN 447 Ca 0.23 0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1qtn h ASN 447 Cb -0.08 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 1qtn h ASN 447 CO -0.05 -0.03 0.08 0.22 -1.06 0.00 0.00 177.43 176.59 1qtn h TYR 448 N 0.14 0.18 -0.08 1.19 5.03 -0.52 -1.57 116.97 121.35 1qtn h TYR 448 Ca 0.21 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.51 1qtn h TYR 448 Cb 0.30 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.52 1qtn h TYR 448 CO -0.26 0.17 -0.00 0.93 -1.32 0.00 0.00 178.16 177.68 1qtn h GLU 449 N 0.14 0.14 -0.32 1.82 4.39 -0.63 -2.94 114.58 117.18 1qtn h GLU 449 Ca 0.05 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1qtn h GLU 449 Cb 0.04 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1qtn h GLU 449 CO -0.01 0.42 0.02 0.28 -1.16 0.00 0.00 179.01 178.56 1qtn h VAL 450 N -0.15 1.18 0.00 3.13 2.07 -1.13 -1.99 116.25 119.36 1qtn h VAL 450 Ca 0.02 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1qtn h VAL 450 Cb 0.35 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1qtn h VAL 450 CO 0.00 0.24 -0.02 0.28 0.02 0.00 0.00 177.57 178.10 1qtn h SER 451 N 0.47 0.00 0.65 0.57 0.02 -1.11 -2.15 113.55 112.00 1qtn h SER 451 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1qtn h SER 451 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1qtn h SER 451 CO 0.01 0.02 -0.49 0.59 -1.14 0.00 0.00 176.83 175.82 1qtn n ASN 452 N -3.26 0.50 -4.84 3.07 3.02 -0.75 -4.90 115.26 108.10 1qtn n ASN 452 Ca -0.02 -0.08 -0.32 0.00 -0.03 0.00 0.00 54.58 54.13 1qtn n ASN 452 Cb 0.14 0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.43 1qtn n ASN 452 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qtn s LYS 453 N -3.05 3.96 0.07 3.52 1.02 -0.81 -5.08 119.74 119.37 1qtn s LYS 453 Ca 0.10 0.93 -0.08 0.00 0.02 0.00 0.00 55.97 56.95 1qtn s LYS 453 Cb 0.17 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1qtn s LYS 453 CO 0.69 -0.24 0.15 0.16 -0.92 0.00 0.00 175.35 175.20 1qtn s ASP 454 N -3.01 0.15 -0.52 2.83 1.47 -1.26 -4.62 116.67 111.71 1qtn s ASP 454 Ca 0.59 -0.62 -0.10 0.00 1.18 0.00 0.00 52.55 53.60 1qtn s ASP 454 Cb -0.10 0.30 0.13 0.00 -0.34 0.00 0.00 42.92 42.91 1qtn s ASP 454 CO 0.30 -0.65 0.41 -0.62 0.68 0.00 0.00 175.17 175.29 1qtn s ASP 455 N -2.61 5.83 0.00 2.11 2.15 -0.16 -4.96 116.67 119.03 1qtn s ASP 455 Ca 0.02 -2.02 0.20 0.00 0.43 0.00 0.00 52.55 51.18 1qtn s ASP 455 Cb 0.03 -2.05 1.18 0.00 -0.30 0.00 0.00 42.92 41.78 1qtn s ASP 455 CO -0.09 -0.69 1.74 0.29 -0.17 0.00 0.00 175.17 176.26 1qtn n LYS 456 N 4.80 0.98 -0.02 4.34 4.76 -1.26 -0.81 118.16 130.94 1qtn n LYS 456 Ca -0.06 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.19 1qtn n LYS 456 Cb 0.41 -1.31 -0.13 0.00 -1.84 0.00 0.00 35.03 32.15 1qtn n LYS 456 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1qtn h LYS 457 N 0.00 0.15 -0.30 1.97 1.79 -1.97 -3.39 116.57 114.81 1qtn h LYS 457 Ca 0.00 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 1qtn h LYS 457 Cb 0.00 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1qtn h LYS 457 CO 0.00 1.12 0.00 0.09 -1.08 0.00 0.00 179.45 179.58 1qtn n ASN 458 N -4.28 2.82 -3.69 0.86 3.02 -1.20 -4.98 115.26 107.81 1qtn n ASN 458 Ca -0.18 -1.88 -0.22 0.00 -0.03 0.00 0.00 54.58 52.28 1qtn n ASN 458 Cb 0.71 -0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.72 1qtn n ASN 458 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1qtn n MET 459 N 0.72 -5.26 -4.05 3.52 2.81 0.01 -4.98 117.12 109.88 1qtn n MET 459 Ca 0.12 0.65 -0.29 0.00 -1.81 0.00 0.00 57.70 56.37 1qtn n MET 459 Cb 0.42 -5.31 -0.06 0.00 -0.71 0.00 0.00 33.22 27.56 1qtn n MET 459 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1qtn s GLY 460 N -4.23 1.91 0.43 3.03 0.00 -0.57 -4.95 107.32 102.94 1qtn s GLY 460 Ca 0.09 -1.08 0.03 0.00 0.00 0.00 0.00 44.72 43.76 1qtn s GLY 460 CO 0.80 -1.07 0.07 0.54 0.00 0.00 0.00 173.10 173.45 1qtn s LYS 461 N -2.67 1.97 -0.08 2.90 -0.14 -1.26 -0.99 119.74 119.47 1qtn s LYS 461 Ca 0.30 -2.21 -0.04 0.00 -1.36 0.00 0.00 55.97 52.67 1qtn s LYS 461 Cb -0.11 -0.99 0.04 0.00 -1.68 0.00 0.00 37.83 35.09 1qtn s LYS 461 CO 0.23 -0.38 0.19 -1.14 -0.76 0.00 0.00 175.35 173.49 1qtn s GLN 462 N -3.78 0.14 -0.33 1.68 0.74 -1.26 -4.97 119.66 111.88 1qtn s GLN 462 Ca 0.21 0.44 0.04 0.00 0.05 0.00 0.00 55.36 56.09 1qtn s GLN 462 Cb 0.04 -0.15 0.09 0.00 1.10 0.00 0.00 33.01 34.09 1qtn s GLN 462 CO 0.11 -0.16 0.03 1.41 -0.55 0.00 0.00 175.29 176.13 1qtn s MET 463 N 1.18 1.59 1.04 1.67 -2.45 -1.26 -4.03 119.30 117.03 1qtn s MET 463 Ca -0.09 -1.79 -0.12 0.00 -1.25 0.00 0.00 55.69 52.44 1qtn s MET 463 Cb -0.11 -3.14 0.21 0.00 1.25 0.00 0.00 34.83 33.04 1qtn s MET 463 CO -0.07 -0.88 1.07 -2.14 1.05 0.00 0.00 175.02 174.05 1qtn s PRO 464 N 0.94 0.11 -0.29 4.11 0.02 -1.20 -1.10 135.00 137.59 1qtn s PRO 464 Ca 0.08 0.68 -0.00 0.00 0.02 0.00 0.00 61.00 61.78 1qtn s PRO 464 Cb -0.19 -1.69 0.18 0.00 0.02 0.00 0.00 34.50 32.83 1qtn s PRO 464 CO -0.08 -2.99 0.57 -1.14 -0.33 0.00 0.00 177.00 173.03 1qtn s GLN 465 N -4.80 0.54 0.38 5.54 0.74 -0.46 -4.69 119.66 116.92 1qtn s GLN 465 Ca 0.66 0.90 -0.12 0.00 0.05 0.00 0.00 55.36 56.84 1qtn s GLN 465 Cb -0.21 0.40 -0.07 0.00 1.10 0.00 0.00 33.01 34.23 1qtn s GLN 465 CO 0.60 -0.68 0.77 -2.14 -0.55 0.00 0.00 175.29 173.29 1qtn s PRO 466 N 2.82 3.87 0.01 1.67 0.02 -1.26 -2.17 135.00 139.95 1qtn s PRO 466 Ca 0.19 0.56 0.02 0.00 0.02 0.00 0.00 61.00 61.79 1qtn s PRO 466 Cb -0.14 -2.40 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 1qtn s PRO 466 CO -0.21 0.02 -0.07 0.99 -0.33 0.00 0.00 177.00 177.40 1qtn s THR 467 N -2.24 0.53 -0.02 0.99 2.01 -0.09 -4.98 115.64 111.84 1qtn s THR 467 Ca 0.53 -0.49 -0.18 0.00 0.31 0.00 0.00 61.69 61.85 1qtn s THR 467 Cb -0.10 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 71.96 1qtn s THR 467 CO 0.26 0.01 0.39 0.72 -0.69 0.00 0.00 174.62 175.31 1qtn s PHE 468 N -0.47 -0.28 -0.11 4.92 -0.71 -1.26 -0.68 117.98 119.39 1qtn s PHE 468 Ca -0.01 0.46 0.16 0.00 -1.04 0.00 0.00 56.93 56.50 1qtn s PHE 468 Cb -0.04 0.16 0.24 0.00 -1.21 0.00 0.00 43.02 42.17 1qtn s PHE 468 CO 0.00 -0.43 1.12 0.25 -1.34 0.00 0.00 175.22 174.82 1qtn n THR 469 N 1.21 1.69 -1.72 -4.49 -2.24 0.30 -5.00 114.28 104.03 1qtn n THR 469 Ca -0.21 -2.01 -0.42 0.00 -2.27 0.00 0.00 64.05 59.14 1qtn n THR 469 Cb 0.56 -0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1qtn n THR 469 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qtn n LEU 470 N -1.26 3.95 -0.16 3.22 4.77 -1.14 -1.72 117.00 124.65 1qtn n LEU 470 Ca 0.13 1.20 0.03 0.00 -0.03 0.00 0.00 56.01 57.35 1qtn n LEU 470 Cb 0.60 -1.52 -0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1qtn n LEU 470 CO 0.01 -0.33 0.19 0.54 -1.33 0.00 0.00 177.39 176.46 1qtn n ARG 471 N 0.45 2.31 -4.14 3.23 1.74 -1.26 -4.88 116.66 114.11 1qtn n ARG 471 Ca 0.04 -0.50 -0.10 0.00 -0.77 0.00 0.00 57.85 56.52 1qtn n ARG 471 Cb 0.37 -0.99 -0.10 0.00 -1.02 0.00 0.00 32.46 30.73 1qtn n ARG 471 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1qtn s LYS 472 N -1.10 1.03 0.34 5.56 1.02 -1.26 -5.14 119.74 120.19 1qtn s LYS 472 Ca 0.06 -1.46 -0.29 0.00 0.02 0.00 0.00 55.97 54.30 1qtn s LYS 472 Cb 0.06 0.27 -0.11 0.00 -0.52 0.00 0.00 37.83 37.53 1qtn s LYS 472 CO 0.18 -0.32 1.41 0.15 -0.92 0.00 0.00 175.35 175.85 1qtn s LYS 473 N -4.07 4.24 -0.27 1.68 1.02 -1.26 -5.01 119.74 116.07 1qtn s LYS 473 Ca 0.28 2.38 -0.04 0.00 0.02 0.00 0.00 55.97 58.61 1qtn s LYS 473 Cb 0.07 -3.04 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 1qtn s LYS 473 CO 0.05 -0.37 -0.00 -1.17 -0.92 0.00 0.00 175.35 172.93 1qtn s LEU 474 N -1.65 3.45 0.10 3.17 2.96 -1.26 -5.05 118.68 120.39 1qtn s LEU 474 Ca 0.52 -0.80 0.10 0.00 -0.22 0.00 0.00 54.13 53.73 1qtn s LEU 474 Cb -0.43 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1qtn s LEU 474 CO 0.55 -0.15 -0.25 0.68 -1.32 0.00 0.00 176.35 175.87 1qtn s VAL 475 N 1.40 2.03 -0.68 1.68 -7.23 -1.26 -0.52 120.40 115.82 1qtn s VAL 475 Ca 0.01 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1qtn s VAL 475 Cb -0.17 -1.79 0.17 0.00 0.56 0.00 0.00 36.38 35.15 1qtn s VAL 475 CO -0.02 0.13 0.49 -0.36 -0.31 0.00 0.00 175.10 175.03 1qtn s PHE 476 N -1.00 3.49 0.41 2.82 0.08 -1.26 -5.04 117.98 117.48 1qtn s PHE 476 Ca 0.11 -3.00 -0.26 0.00 0.12 0.00 0.00 56.93 53.89 1qtn s PHE 476 Cb -0.10 -3.04 -0.09 0.00 -0.57 0.00 0.00 43.02 39.23 1qtn s PHE 476 CO 0.04 -0.74 1.37 -2.14 -0.10 0.00 0.00 175.22 173.65 1qtn s PRO 477 N -0.66 3.92 0.00 0.24 0.02 -1.26 -4.75 135.00 132.51 1qtn s PRO 477 Ca 0.21 2.30 0.29 0.00 0.02 0.00 0.00 61.00 63.81 1qtn s PRO 477 Cb -0.16 -2.78 1.20 0.00 0.02 0.00 0.00 34.50 32.78 1qtn s PRO 477 CO -0.07 -0.58 1.86 -1.13 -0.33 0.00 0.00 177.00 176.74 1qtn n SER 478 N 0.12 0.30 -0.69 2.53 3.41 -1.26 -5.05 113.62 112.98 1qtn n SER 478 Ca 0.03 -0.25 0.09 0.00 -0.26 0.00 0.00 58.87 58.48 1qtn n SER 478 Cb 0.42 -0.15 0.07 0.00 -0.26 0.00 0.00 64.21 64.29 1qtn n SER 478 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98