#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1r s THR 389 N 0.00 4.93 0.66 6.31 -4.23 -1.26 -5.11 115.64 116.94 3k1r s THR 389 Ca 0.00 -0.60 -0.15 0.00 -1.18 0.00 0.00 61.69 59.76 3k1r s THR 389 Cb 0.00 -3.39 -0.00 0.00 1.34 0.00 0.00 72.50 70.45 3k1r s THR 389 CO 0.00 0.13 1.10 -0.94 -0.54 0.00 0.00 174.62 174.37 3k1r s SER 390 N -2.47 5.14 0.38 3.99 1.04 -1.26 -4.89 113.70 115.63 3k1r s SER 390 Ca 0.32 1.97 0.12 0.00 0.48 0.00 0.00 55.95 58.84 3k1r s SER 390 Cb -0.12 -2.55 0.92 0.00 0.10 0.00 0.00 66.02 64.37 3k1r s SER 390 CO 0.25 -1.61 1.85 -0.65 0.98 0.00 0.00 173.24 174.06 3k1r h PRO 391 N 0.00 0.56 -0.35 4.02 0.11 -2.00 -2.19 132.00 132.16 3k1r h PRO 391 Ca -0.47 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 3k1r h PRO 391 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3k1r h PRO 391 CO 0.54 0.37 -0.26 1.25 -0.21 0.00 0.00 178.00 179.69 3k1r h LEU 392 N 0.58 0.84 -0.61 2.35 5.85 -1.95 -1.72 115.31 120.65 3k1r h LEU 392 Ca 0.47 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3k1r h LEU 392 Cb 0.92 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3k1r h LEU 392 CO -0.21 1.10 0.40 -0.33 -0.34 0.00 0.00 178.44 179.06 3k1r h GLU 393 N 0.59 0.79 -0.22 1.25 5.08 -1.77 -0.78 114.58 119.51 3k1r h GLU 393 Ca 0.07 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 3k1r h GLU 393 Cb 0.83 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.91 3k1r h GLU 393 CO 0.07 0.52 -0.67 1.15 -1.00 0.00 0.00 179.01 179.08 3k1r h THR 394 N 0.81 1.27 -0.13 1.13 2.02 -1.48 -2.14 112.91 114.40 3k1r h THR 394 Ca 0.23 -1.86 0.03 0.00 0.77 0.00 0.00 66.41 65.58 3k1r h THR 394 Cb -0.07 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 3k1r h THR 394 CO -0.06 0.60 -0.06 0.15 0.37 0.00 0.00 175.52 176.52 3k1r h PHE 395 N 0.61 -0.13 0.00 3.16 3.57 -1.09 -1.92 116.94 121.14 3k1r h PHE 395 Ca -0.02 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 3k1r h PHE 395 Cb 1.30 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 3k1r h PHE 395 CO 0.08 -0.09 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.56 3k1r h LEU 396 N -0.04 0.00 -0.76 0.59 3.38 -1.17 -2.99 115.31 114.32 3k1r h LEU 396 Ca 0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3k1r h LEU 396 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3k1r h LEU 396 CO -0.16 0.44 -0.36 0.00 0.09 0.00 0.00 178.44 178.46 3k1r h ALA 397 N 1.56 0.93 0.00 1.53 0.00 -1.06 0.31 119.26 122.53 3k1r h ALA 397 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3k1r h ALA 397 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3k1r h ALA 397 CO 0.06 0.62 0.00 -1.13 0.00 0.00 0.00 179.25 178.80 3k1r n SER 398 N -4.05 0.67 -0.76 0.00 3.41 -0.75 -2.71 113.62 109.43 3k1r n SER 398 Ca -0.01 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.32 3k1r n SER 398 Cb 0.48 -0.80 0.18 0.00 -0.26 0.00 0.00 64.21 63.82 3k1r n SER 398 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k1r n LEU 399 N -2.23 3.15 -3.79 1.04 4.77 -1.03 -4.97 117.00 113.94 3k1r n LEU 399 Ca 0.02 -2.07 -0.28 0.00 -0.03 0.00 0.00 56.01 53.65 3k1r n LEU 399 Cb 0.25 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3k1r n LEU 399 CO 0.21 0.76 0.14 1.41 -1.33 0.00 0.00 177.39 178.58 3k1r n HIS 400 N 0.60 -2.44 -2.18 -1.77 8.25 -1.10 -4.91 115.22 111.67 3k1r n HIS 400 Ca 0.14 0.91 -0.00 0.00 -0.26 0.00 0.00 57.72 58.51 3k1r n HIS 400 Cb 0.49 -4.24 0.09 0.00 1.12 0.00 0.00 29.99 27.45 3k1r n HIS 400 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3k1r n MET 401 N -4.73 1.34 -0.15 -0.41 2.00 0.11 -4.81 117.12 110.46 3k1r n MET 401 Ca 0.03 -3.00 0.07 0.00 0.00 0.00 0.00 57.70 54.80 3k1r n MET 401 Cb 0.54 -1.13 0.38 0.00 0.00 0.00 0.00 33.22 33.00 3k1r n MET 401 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3k1r h GLU 402 N 1.42 0.68 0.00 0.03 3.07 -1.87 -2.40 114.58 115.50 3k1r h GLU 402 Ca -0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3k1r h GLU 402 Cb 1.44 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 3k1r h GLU 402 CO 0.17 0.45 0.00 -0.40 -1.40 0.00 0.00 179.01 177.83 3k1r n ASP 403 N -4.47 0.00 -0.39 1.42 5.68 -1.26 -1.61 116.55 115.91 3k1r n ASP 403 Ca 0.09 0.35 0.12 0.00 -0.50 0.00 0.00 54.79 54.85 3k1r n ASP 403 Cb 0.22 -0.42 0.16 0.00 -1.14 0.00 0.00 41.12 39.94 3k1r n ASP 403 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3k1r n PHE 404 N -1.42 0.00 -0.10 2.11 3.72 -0.90 -4.39 117.46 116.48 3k1r n PHE 404 Ca 0.04 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.43 3k1r n PHE 404 Cb 0.13 -0.05 0.23 0.00 -0.94 0.00 0.00 39.48 38.85 3k1r n PHE 404 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k1r h ALA 405 N 3.80 1.30 -0.30 4.37 0.00 -1.43 -2.36 119.26 124.63 3k1r h ALA 405 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3k1r h ALA 405 Cb 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3k1r h ALA 405 CO 0.00 0.50 0.10 0.00 0.00 0.00 0.00 179.25 179.85 3k1r h ALA 406 N 1.42 0.40 -0.58 0.00 0.00 -1.78 -1.86 119.26 116.86 3k1r h ALA 406 Ca 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3k1r h ALA 406 Cb 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3k1r h ALA 406 CO -0.00 0.03 0.24 1.25 0.00 0.00 0.00 179.25 180.76 3k1r h LEU 407 N 0.33 0.79 -0.35 0.00 6.46 -1.79 -1.73 115.31 119.02 3k1r h LEU 407 Ca 0.10 -0.16 -0.12 0.00 -0.12 0.00 0.00 57.88 57.57 3k1r h LEU 407 Cb 0.24 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 3k1r h LEU 407 CO -0.00 0.74 -0.25 -0.07 -0.62 0.00 0.00 178.44 178.23 3k1r h LEU 408 N 0.79 0.82 -0.81 2.25 4.07 -1.38 -2.14 115.31 118.91 3k1r h LEU 408 Ca 0.19 -0.44 -0.11 0.00 0.08 0.00 0.00 57.88 57.60 3k1r h LEU 408 Cb 0.19 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3k1r h LEU 408 CO -0.02 1.09 -0.34 -0.09 -1.08 0.00 0.00 178.44 178.01 3k1r h ARG 409 N 0.57 0.50 -0.77 1.13 2.43 -1.34 0.15 114.38 117.04 3k1r h ARG 409 Ca 0.07 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3k1r h ARG 409 Cb 0.82 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3k1r h ARG 409 CO 0.07 0.78 0.43 0.37 -1.51 0.00 0.00 179.97 180.10 3k1r h GLN 410 N 0.43 1.07 -0.54 0.20 4.15 -1.21 -2.09 115.11 117.12 3k1r h GLN 410 Ca 0.05 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3k1r h GLN 410 Cb 0.79 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.27 3k1r h GLN 410 CO 0.06 0.78 0.00 0.39 -1.93 0.00 0.00 178.83 178.13 3k1r n GLU 411 N -4.36 2.09 -3.71 1.69 -0.58 -0.82 -4.91 120.64 110.04 3k1r n GLU 411 Ca 0.08 -1.15 -0.26 0.00 -0.42 0.00 0.00 57.16 55.41 3k1r n GLU 411 Cb 0.09 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.53 3k1r n GLU 411 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3k1r n LYS 412 N 0.31 -6.85 -3.84 3.49 4.01 -0.79 -4.99 118.16 109.50 3k1r n LYS 412 Ca 0.10 0.74 -0.36 0.00 -0.51 0.00 0.00 58.31 58.28 3k1r n LYS 412 Cb 0.42 -5.71 -0.13 0.00 -0.51 0.00 0.00 35.03 29.11 3k1r n LYS 412 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3k1r s ILE 413 N -3.33 3.28 0.72 -0.18 1.01 0.48 -5.01 121.20 118.17 3k1r s ILE 413 Ca 0.55 -1.35 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 3k1r s ILE 413 Cb -0.26 -2.91 0.15 0.00 0.01 0.00 0.00 42.46 39.45 3k1r s ILE 413 CO 0.77 -0.18 0.99 -0.90 0.00 0.00 0.00 174.94 175.62 3k1r n ASP 414 N 4.68 1.21 -0.29 3.58 5.68 -1.26 -4.14 116.55 126.01 3k1r n ASP 414 Ca -0.12 -2.05 -0.05 0.00 -0.50 0.00 0.00 54.79 52.07 3k1r n ASP 414 Cb 0.44 -0.65 0.07 0.00 -1.14 0.00 0.00 41.12 39.83 3k1r n ASP 414 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3k1r h LEU 415 N 0.00 1.03 -0.56 -2.12 5.85 -1.95 -0.19 115.31 117.36 3k1r h LEU 415 Ca -0.33 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.34 3k1r h LEU 415 Cb 1.18 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 3k1r h LEU 415 CO 0.34 0.86 0.25 -0.08 -0.34 0.00 0.00 178.44 179.47 3k1r h GLU 416 N 1.13 0.46 -0.23 1.25 4.81 -1.99 -1.82 114.58 118.19 3k1r h GLU 416 Ca 0.28 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 3k1r h GLU 416 Cb 0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3k1r h GLU 416 CO -0.04 0.31 -0.41 0.00 -0.73 0.00 0.00 179.01 178.14 3k1r h ALA 417 N 1.34 0.86 -0.32 2.92 0.00 -1.79 -3.21 119.26 119.06 3k1r h ALA 417 Ca 0.27 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3k1r h ALA 417 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3k1r h ALA 417 CO -0.22 0.64 -0.11 1.25 0.00 0.00 0.00 179.25 180.81 3k1r h LEU 418 N 0.45 0.53 -2.31 0.00 5.85 -0.49 -2.50 115.31 116.83 3k1r h LEU 418 Ca 0.04 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3k1r h LEU 418 Cb 0.90 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 3k1r h LEU 418 CO 0.08 0.67 0.14 0.24 -0.34 0.00 0.00 178.44 179.24 3k1r h MET 419 N 0.51 0.00 -0.40 1.25 2.86 -1.35 -1.56 114.93 116.25 3k1r h MET 419 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3k1r h MET 419 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3k1r h MET 419 CO 0.03 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.28 3k1r n LEU 420 N -3.76 3.29 -4.71 1.22 4.77 -0.95 -4.97 117.00 111.89 3k1r n LEU 420 Ca 0.00 -1.62 -0.42 0.00 -0.03 0.00 0.00 56.01 53.94 3k1r n LEU 420 Cb 0.25 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3k1r n LEU 420 CO 0.27 0.74 0.63 0.00 -1.33 0.00 0.00 177.39 177.70 3k1r s SER 422 N 0.98 4.48 0.21 0.00 1.04 -1.26 -4.96 113.70 114.20 3k1r s SER 422 Ca 0.48 0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.89 3k1r s SER 422 Cb -0.20 -0.59 0.23 0.00 0.10 0.00 0.00 66.02 65.57 3k1r s SER 422 CO 0.24 -1.78 1.82 -0.78 0.98 0.00 0.00 173.24 173.72 3k1r h ASP 423 N -0.62 0.63 -0.80 7.02 3.58 -1.97 -2.60 116.42 121.66 3k1r h ASP 423 Ca -0.41 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.06 3k1r h ASP 423 Cb 1.28 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 42.18 3k1r h ASP 423 CO 0.49 0.42 0.52 0.25 -2.88 0.00 0.00 179.24 178.04 3k1r h LEU 424 N 0.77 0.94 -0.50 2.28 5.85 -1.99 -1.10 115.31 121.57 3k1r h LEU 424 Ca 0.30 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3k1r h LEU 424 Cb 0.13 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3k1r h LEU 424 CO -0.16 0.69 0.28 0.44 -0.34 0.00 0.00 178.44 179.35 3k1r h ASP 425 N 1.09 0.42 0.45 1.25 3.32 -1.85 -1.05 116.42 120.05 3k1r h ASP 425 Ca 0.29 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.16 3k1r h ASP 425 Cb -0.10 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3k1r h ASP 425 CO -0.06 0.30 -0.84 -0.07 -1.72 0.00 0.00 179.24 176.84 3k1r h LEU 426 N 0.54 0.36 -0.79 1.55 3.38 -1.33 -2.93 115.31 116.10 3k1r h LEU 426 Ca 0.21 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3k1r h LEU 426 Cb 0.07 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3k1r h LEU 426 CO -0.12 1.05 0.47 0.03 0.09 0.00 0.00 178.44 179.96 3k1r h ARG 427 N 0.17 0.81 0.00 1.13 3.08 -0.98 -1.44 114.38 117.16 3k1r h ARG 427 Ca -0.05 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 3k1r h ARG 427 Cb 1.45 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 3k1r h ARG 427 CO 0.14 0.54 -0.17 0.77 -1.07 0.00 0.00 179.97 180.17 3k1r h SER 428 N 0.83 0.00 -0.56 7.04 0.02 -1.01 -2.29 113.55 117.58 3k1r h SER 428 Ca 0.36 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.20 3k1r h SER 428 Cb 0.22 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 3k1r h SER 428 CO -0.19 0.17 0.12 2.30 -1.14 0.00 0.00 176.83 178.08 3k1r n ILE 429 N -3.68 2.73 -2.73 3.27 -5.35 -1.04 -4.97 119.36 107.59 3k1r n ILE 429 Ca -0.01 -1.73 -0.15 0.00 -0.27 0.00 0.00 62.75 60.59 3k1r n ILE 429 Cb 0.29 -0.31 0.02 0.00 -1.74 0.00 0.00 39.64 37.90 3k1r n ILE 429 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3k1r n SER 430 N -0.12 -4.60 -4.62 7.28 7.64 -0.86 -5.01 113.62 113.32 3k1r n SER 430 Ca 0.33 -0.18 -0.41 0.00 1.01 0.00 0.00 58.87 59.62 3k1r n SER 430 Cb 1.20 -3.50 -0.06 0.00 -1.01 0.00 0.00 64.21 60.85 3k1r n SER 430 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k1r s VAL 431 N -2.94 4.93 0.88 0.44 1.01 -0.57 -5.04 120.40 119.10 3k1r s VAL 431 Ca 0.19 1.16 -0.10 0.00 0.00 0.00 0.00 61.98 63.22 3k1r s VAL 431 Cb -0.08 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.41 3k1r s VAL 431 CO 0.23 -0.06 1.12 -2.84 0.00 0.00 0.00 175.10 173.55 3k1r s PRO 432 N 2.64 1.36 0.14 2.72 0.02 -1.26 -4.44 135.00 136.18 3k1r s PRO 432 Ca 0.28 1.32 -0.27 0.00 0.02 0.00 0.00 61.00 62.35 3k1r s PRO 432 Cb -0.15 -1.78 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 3k1r s PRO 432 CO 0.09 -2.32 1.59 1.25 -0.33 0.00 0.00 177.00 177.29 3k1r h LEU 433 N -1.63 -1.18 0.18 -5.54 5.85 -1.98 0.42 115.31 111.43 3k1r h LEU 433 Ca -0.45 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3k1r h LEU 433 Cb 1.26 0.50 -0.04 0.00 0.37 0.00 0.00 40.66 42.75 3k1r h LEU 433 CO 0.46 -0.38 -0.40 1.23 -0.34 0.00 0.00 178.44 179.01 3k1r h GLY 434 N -0.41 -0.84 1.41 3.75 0.00 -2.00 -1.07 103.07 103.92 3k1r h GLY 434 Ca 0.10 0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.93 3k1r h GLY 434 CO -0.42 -0.28 0.34 -2.55 0.00 0.00 0.00 176.54 173.64 3k1r h PRO 435 N -0.68 0.60 -0.61 4.80 0.11 -1.91 -2.38 132.00 131.94 3k1r h PRO 435 Ca 0.01 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 3k1r h PRO 435 Cb 0.68 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 3k1r h PRO 435 CO -0.20 0.39 0.14 -0.09 -0.21 0.00 0.00 178.00 178.04 3k1r h ARG 436 N 0.61 0.98 0.00 1.05 2.43 -0.38 -2.09 114.38 116.98 3k1r h ARG 436 Ca 0.20 -0.24 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 3k1r h ARG 436 Cb 0.06 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3k1r h ARG 436 CO -0.05 0.90 -0.78 0.93 -1.51 0.00 0.00 179.97 179.45 3k1r h GLU 437 N 0.89 0.00 -0.08 0.20 5.08 -1.02 -2.05 114.58 117.59 3k1r h GLU 437 Ca 0.19 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3k1r h GLU 437 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3k1r h GLU 437 CO 0.00 0.78 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.53 3k1r h LYS 438 N 0.00 0.18 0.07 2.33 3.64 -1.34 -1.64 116.57 119.82 3k1r h LYS 438 Ca -0.01 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3k1r h LYS 438 Cb 1.40 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 3k1r h LYS 438 CO 0.10 0.56 -0.08 0.82 -2.27 0.00 0.00 179.45 178.58 3k1r h ILE 439 N -0.20 0.80 -0.83 2.00 2.04 -1.41 -1.99 117.51 117.92 3k1r h ILE 439 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3k1r h ILE 439 Cb 0.51 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3k1r h ILE 439 CO 0.01 0.00 0.49 -0.07 0.00 0.00 0.00 178.15 178.59 3k1r h LEU 440 N -0.18 1.01 -0.62 1.44 4.07 -1.41 0.03 115.31 119.65 3k1r h LEU 440 Ca 0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 3k1r h LEU 440 Cb 0.18 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 3k1r h LEU 440 CO -0.03 0.78 0.35 1.23 -1.08 0.00 0.00 178.44 179.68 3k1r h GLY 441 N 1.14 0.92 1.37 0.83 0.00 -1.26 -2.21 103.07 103.86 3k1r h GLY 441 Ca 0.30 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 3k1r h GLY 441 CO -0.05 0.39 -0.22 0.00 0.00 0.00 0.00 176.54 176.66 3k1r h ALA 442 N 1.17 0.92 -0.19 3.60 0.00 -0.75 -1.56 119.26 122.44 3k1r h ALA 442 Ca 0.22 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3k1r h ALA 442 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3k1r h ALA 442 CO -0.04 0.62 0.07 0.28 0.00 0.00 0.00 179.25 180.18 3k1r h VAL 443 N 0.64 0.96 -0.66 0.00 2.07 -0.91 -0.95 116.25 117.40 3k1r h VAL 443 Ca 0.09 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 3k1r h VAL 443 Cb 0.71 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3k1r h VAL 443 CO 0.05 0.03 0.39 0.03 0.02 0.00 0.00 177.57 178.09 3k1r h ARG 444 N 0.16 0.90 -0.45 1.57 3.08 -1.17 0.32 114.38 118.79 3k1r h ARG 444 Ca 0.08 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3k1r h ARG 444 Cb 0.05 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3k1r h ARG 444 CO -0.08 0.65 -0.08 0.00 -1.07 0.00 0.00 179.97 179.39 3k1r h ARG 445 N 0.90 0.79 -0.17 0.04 3.08 -1.21 -1.54 114.38 116.26 3k1r h ARG 445 Ca 0.24 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3k1r h ARG 445 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3k1r h ARG 445 CO -0.04 0.85 0.04 -0.09 -1.07 0.00 0.00 179.97 179.65 3k1r h ARG 446 N 0.72 0.27 -0.75 0.04 2.43 -0.69 -2.07 114.38 114.32 3k1r h ARG 446 Ca 0.13 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3k1r h ARG 446 Cb 0.55 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 3k1r h ARG 446 CO 0.03 0.41 0.42 -0.09 -1.51 0.00 0.00 179.97 179.23 3k1r h ARG 447 N 0.07 1.05 -0.30 0.20 2.43 -0.84 -1.23 114.38 115.76 3k1r h ARG 447 Ca 0.05 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3k1r h ARG 447 Cb 0.27 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3k1r h ARG 447 CO 0.00 0.77 -0.21 0.37 -1.51 0.00 0.00 179.97 179.39 3k1r h GLN 448 N 1.04 0.56 -0.38 0.20 4.15 -1.25 -0.49 115.11 118.95 3k1r h GLN 448 Ca 0.27 -0.20 -0.14 0.00 0.77 0.00 0.00 58.65 59.34 3k1r h GLN 448 Cb 0.03 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3k1r h GLN 448 CO -0.04 0.74 -0.30 0.00 -1.93 0.00 0.00 178.83 177.29 3k1r h ALA 449 N 1.27 0.54 -0.31 3.38 0.00 -1.10 -0.36 119.26 122.69 3k1r h ALA 449 Ca 0.08 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3k1r h ALA 449 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3k1r h ALA 449 CO 0.05 0.59 -0.41 0.52 0.00 0.00 0.00 179.25 179.99 3k1r h MET 450 N 0.68 0.76 0.10 0.00 2.86 -1.06 -2.78 114.93 115.48 3k1r h MET 450 Ca 0.07 -0.40 -0.30 0.00 -2.06 0.00 0.00 59.70 57.00 3k1r h MET 450 Cb 0.89 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3k1r h MET 450 CO 0.08 1.03 -1.57 0.93 1.06 0.00 0.00 176.91 178.43 3k1r h GLU 451 N 0.62 0.20 -2.17 1.72 5.08 -1.12 -3.39 114.58 115.52 3k1r h GLU 451 Ca 0.05 -0.35 -0.56 0.00 -1.00 0.00 0.00 59.36 57.50 3k1r h GLU 451 Cb 0.97 0.13 -0.41 0.00 0.50 0.00 0.00 28.75 29.93 3k1r h GLU 451 CO 0.09 1.03 -0.83 0.54 -1.00 0.00 0.00 179.01 178.85 3k1r n ARG 452 N -3.40 2.25 -2.06 2.33 1.74 -0.15 -5.08 116.66 112.30 3k1r n ARG 452 Ca -0.17 -4.27 -0.41 0.00 -0.77 0.00 0.00 57.85 52.22 3k1r n ARG 452 Cb 1.04 -2.00 -0.02 0.00 -1.02 0.00 0.00 32.46 30.46 3k1r n ARG 452 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3k1r s PRO 453 N -2.77 4.30 0.00 5.56 0.04 -1.05 -4.71 135.00 136.37 3k1r s PRO 453 Ca 0.43 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.72 3k1r s PRO 453 Cb 0.26 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.68 3k1r s PRO 453 CO -0.10 -0.36 0.00 -0.35 0.04 0.00 0.00 177.00 176.24 3k1r n PRO 454 N 2.15 0.62 -1.99 0.56 -0.04 -1.26 -5.05 135.00 130.00 3k1r n PRO 454 Ca 0.06 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 3k1r n PRO 454 Cb 0.41 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.90 3k1r n PRO 454 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k1r s ALA 455 N -3.77 2.55 0.05 0.55 0.00 -1.26 -4.98 121.76 114.90 3k1r s ALA 455 Ca 0.00 0.76 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 3k1r s ALA 455 Cb 0.00 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 3k1r s ALA 455 CO 0.00 -1.09 1.46 -0.51 0.00 0.00 0.00 175.76 175.63 3k1r s LEU 456 N -4.30 4.34 0.10 0.00 1.43 -1.26 -5.02 118.68 113.97 3k1r s LEU 456 Ca 0.72 2.28 0.04 0.00 -1.03 0.00 0.00 54.13 56.13 3k1r s LEU 456 Cb -0.24 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 3k1r s LEU 456 CO 0.34 -0.75 -0.10 -1.61 0.23 0.00 0.00 176.35 174.47 3k1r s GLU 457 N 2.05 0.86 -0.03 1.70 2.02 -1.26 -5.14 118.70 118.88 3k1r s GLU 457 Ca 0.67 -1.17 -0.18 0.00 0.02 0.00 0.00 54.97 54.30 3k1r s GLU 457 Cb -0.35 -0.54 -0.05 0.00 0.10 0.00 0.00 34.13 33.29 3k1r s GLU 457 CO 0.29 0.08 0.51 -0.51 0.02 0.00 0.00 175.26 175.65 3k1r s ASP 458 N -2.48 6.85 -0.29 -0.19 1.01 -1.26 -5.06 116.67 115.25 3k1r s ASP 458 Ca 0.06 1.01 -0.11 0.00 0.71 0.00 0.00 52.55 54.22 3k1r s ASP 458 Cb -0.03 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 3k1r s ASP 458 CO -0.00 0.14 0.18 -0.89 0.21 0.00 0.00 175.17 174.81 3k1r s THR 459 N -0.22 5.13 -0.07 -1.27 2.01 -1.26 -5.07 115.64 114.90 3k1r s THR 459 Ca 0.27 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 3k1r s THR 459 Cb -0.17 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 3k1r s THR 459 CO 0.14 0.22 1.01 -0.70 -0.69 0.00 0.00 174.62 174.60 3k1r s GLU 460 N 1.73 4.46 0.00 4.92 2.12 -1.26 -5.38 118.70 125.29 3k1r s GLU 460 Ca 0.07 1.42 0.00 0.00 0.36 0.00 0.00 54.97 56.81 3k1r s GLU 460 Cb -0.16 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.71 3k1r s GLU 460 CO 0.10 -0.24 0.35 1.28 -0.54 0.00 0.00 175.26 176.20