#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipk h ALA 387 N 0.00 0.71 -0.34 0.00 0.00 -2.05 -0.57 119.26 117.00 3ipk h ALA 387 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ipk h ALA 387 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ipk h ALA 387 CO 0.00 -0.11 0.16 -0.91 0.00 0.00 0.00 179.25 178.40 3ipk h ASN 388 N 0.49 0.45 -0.48 0.00 2.35 -2.05 -1.45 115.58 114.89 3ipk h ASN 388 Ca 0.25 -0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.94 3ipk h ASN 388 Cb 0.20 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.40 3ipk h ASN 388 CO -0.20 0.45 0.16 -0.08 -1.65 0.00 0.00 177.43 176.11 3ipk h GLU 389 N 0.41 0.32 -0.78 0.81 4.57 -1.81 0.60 114.58 118.71 3ipk h GLU 389 Ca 0.12 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3ipk h GLU 389 Cb 0.12 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3ipk h GLU 389 CO -0.01 0.21 0.45 0.00 -1.18 0.00 0.00 179.01 178.48 3ipk h ALA 390 N 1.33 0.99 -0.07 2.92 0.00 -0.92 0.98 119.26 124.49 3ipk h ALA 390 Ca 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ipk h ALA 390 Cb 0.25 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ipk h ALA 390 CO -0.25 0.48 0.04 0.22 0.00 0.00 0.00 179.25 179.74 3ipk h ASP 391 N 1.07 0.09 -0.14 0.00 3.58 -0.08 -1.68 116.42 119.25 3ipk h ASP 391 Ca 0.28 -0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.68 3ipk h ASP 391 Cb -0.00 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 3ipk h ASP 391 CO -0.05 0.14 -0.06 0.22 -2.88 0.00 0.00 179.24 176.61 3ipk h TYR 392 N 0.02 -0.14 -0.64 0.28 3.20 0.63 -1.51 116.97 118.82 3ipk h TYR 392 Ca 0.02 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3ipk h TYR 392 Cb 0.07 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3ipk h TYR 392 CO -0.05 -0.10 0.42 1.96 -1.64 0.00 0.00 178.16 178.76 3ipk h GLN 393 N -0.04 0.67 -0.42 1.82 1.08 -0.67 0.45 115.11 117.99 3ipk h GLN 393 Ca 0.08 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.12 3ipk h GLN 393 Cb 0.16 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3ipk h GLN 393 CO -0.17 0.44 -0.17 0.00 -0.95 0.00 0.00 178.83 177.98 3ipk h ALA 394 N 1.64 0.59 -0.22 3.87 0.00 -0.71 -1.22 119.26 123.21 3ipk h ALA 394 Ca 0.27 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 3ipk h ALA 394 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ipk h ALA 394 CO -0.08 0.53 -0.44 0.87 0.00 0.00 0.00 179.25 180.13 3ipk h LYS 395 N 0.69 0.55 -0.21 0.00 1.57 -0.26 -2.51 116.57 116.39 3ipk h LYS 395 Ca 0.10 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3ipk h LYS 395 Cb 0.73 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3ipk h LYS 395 CO 0.06 0.89 0.12 1.25 -0.57 0.00 0.00 179.45 181.20 3ipk h LEU 396 N 0.44 0.25 -0.45 2.94 5.85 0.07 -0.87 115.31 123.54 3ipk h LEU 396 Ca 0.03 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3ipk h LEU 396 Cb 0.95 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3ipk h LEU 396 CO 0.08 0.22 0.19 0.74 -0.34 0.00 0.00 178.44 179.34 3ipk h THR 397 N 0.25 0.90 -0.98 1.05 2.02 -1.11 -0.22 112.91 114.82 3ipk h THR 397 Ca 0.07 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.15 3ipk h THR 397 Cb 0.02 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 3ipk h THR 397 CO -0.01 0.07 0.65 0.00 0.37 0.00 0.00 175.52 176.59 3ipk h ALA 398 N 1.27 1.28 0.32 6.16 0.00 -1.12 -1.29 119.26 125.88 3ipk h ALA 398 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ipk h ALA 398 Cb 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ipk h ALA 398 CO -0.18 0.58 -0.15 -0.92 0.00 0.00 0.00 179.25 178.57 3ipk h TYR 399 N 1.28 -0.39 -0.87 0.00 3.20 -0.27 -1.30 116.97 118.61 3ipk h TYR 399 Ca 0.38 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.33 3ipk h TYR 399 Cb -0.06 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.26 3ipk h TYR 399 CO -0.00 -0.13 0.51 1.96 -1.64 0.00 0.00 178.16 178.85 3ipk h GLN 400 N -0.60 0.83 -0.31 1.82 4.20 -0.82 0.27 115.11 120.50 3ipk h GLN 400 Ca -0.04 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 3ipk h GLN 400 Cb 0.44 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3ipk h GLN 400 CO 0.07 0.55 -0.08 1.15 -0.67 0.00 0.00 178.83 179.86 3ipk h THR 401 N 0.86 1.28 -0.37 -0.54 2.02 -1.18 -2.05 112.91 112.93 3ipk h THR 401 Ca 0.41 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 3ipk h THR 401 Cb 0.36 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3ipk h THR 401 CO -0.24 0.36 0.13 -0.08 0.37 0.00 0.00 175.52 176.05 3ipk h GLU 402 N 0.36 0.57 -0.74 6.66 4.57 -0.55 -2.00 114.58 123.47 3ipk h GLU 402 Ca 0.08 -0.12 0.10 0.00 -1.18 0.00 0.00 59.36 58.24 3ipk h GLU 402 Cb 0.56 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 3ipk h GLU 402 CO 0.03 0.58 0.37 1.25 -1.18 0.00 0.00 179.01 180.06 3ipk h LEU 403 N 0.46 0.48 -0.87 1.64 6.46 -0.44 -0.60 115.31 122.45 3ipk h LEU 403 Ca 0.12 0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 3ipk h LEU 403 Cb 0.23 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 3ipk h LEU 403 CO -0.01 0.27 0.29 0.00 -0.62 0.00 0.00 178.44 178.37 3ipk h ALA 404 N 1.45 1.10 0.17 1.25 0.00 -1.02 -1.84 119.26 120.36 3ipk h ALA 404 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ipk h ALA 404 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ipk h ALA 404 CO -0.28 0.64 -0.08 -0.09 0.00 0.00 0.00 179.25 179.44 3ipk h ARG 405 N 1.09 -0.22 -0.98 0.00 2.43 -0.47 -1.49 114.38 114.74 3ipk h ARG 405 Ca 0.25 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.54 3ipk h ARG 405 Cb 0.22 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.74 3ipk h ARG 405 CO -0.02 0.00 0.63 0.28 -1.51 0.00 0.00 179.97 179.35 3ipk h VAL 406 N -0.41 0.97 -0.15 0.20 2.07 -1.03 0.68 116.25 118.58 3ipk h VAL 406 Ca -0.02 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3ipk h VAL 406 Cb 0.32 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3ipk h VAL 406 CO 0.04 0.19 -0.14 1.56 0.02 0.00 0.00 177.57 179.23 3ipk h GLN 407 N 1.02 0.36 -0.36 1.57 4.20 -1.19 -1.56 115.11 119.14 3ipk h GLN 407 Ca 0.47 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.94 3ipk h GLN 407 Cb 0.40 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3ipk h GLN 407 CO -0.22 0.73 0.02 -0.22 -0.67 0.00 0.00 178.83 178.47 3ipk h LYS 408 N -0.01 0.55 -0.27 1.46 3.64 -0.88 0.80 116.57 121.86 3ipk h LYS 408 Ca 0.02 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3ipk h LYS 408 Cb 0.66 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3ipk h LYS 408 CO 0.04 0.56 0.13 0.00 -2.27 0.00 0.00 179.45 177.91 3ipk h ALA 409 N 1.50 0.35 -0.42 5.00 0.00 -0.75 -0.98 119.26 123.95 3ipk h ALA 409 Ca 0.12 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3ipk h ALA 409 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ipk h ALA 409 CO 0.01 -0.09 -0.23 -0.91 0.00 0.00 0.00 179.25 178.02 3ipk h ASN 410 N 0.30 0.87 -0.58 0.00 2.35 -0.77 -0.54 115.58 117.20 3ipk h ASN 410 Ca 0.09 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3ipk h ASN 410 Cb 0.12 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3ipk h ASN 410 CO -0.01 1.06 0.37 0.00 -1.65 0.00 0.00 177.43 177.20 3ipk h ALA 411 N 1.00 0.75 -0.30 -0.83 0.00 -0.62 0.57 119.26 119.81 3ipk h ALA 411 Ca 0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3ipk h ALA 411 Cb 0.77 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3ipk h ALA 411 CO 0.06 0.14 -0.21 -0.44 0.00 0.00 0.00 179.25 178.80 3ipk h ASP 412 N 0.75 0.57 -0.65 0.00 3.32 -0.99 -0.35 116.42 119.07 3ipk h ASP 412 Ca 0.22 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 3ipk h ASP 412 Cb -0.04 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3ipk h ASP 412 CO -0.07 0.78 0.07 0.00 -1.72 0.00 0.00 179.24 178.31 3ipk h ALA 413 N 1.27 0.87 -0.41 3.45 0.00 0.23 -2.26 119.26 122.41 3ipk h ALA 413 Ca 0.08 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 3ipk h ALA 413 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ipk h ALA 413 CO 0.05 0.66 -0.28 -0.22 0.00 0.00 0.00 179.25 179.45 3ipk h LYS 414 N 1.01 0.91 -0.87 0.00 3.64 0.48 -1.94 116.57 119.81 3ipk h LYS 414 Ca 0.19 -0.43 0.08 0.00 -1.27 0.00 0.00 60.65 59.21 3ipk h LYS 414 Cb 0.48 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.23 3ipk h LYS 414 CO 0.02 1.09 0.53 0.00 -2.27 0.00 0.00 179.45 178.81 3ipk h ALA 415 N 0.80 1.21 -0.25 5.00 0.00 -0.86 0.22 119.26 125.38 3ipk h ALA 415 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3ipk h ALA 415 Cb 0.86 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ipk h ALA 415 CO 0.08 0.23 -0.13 0.00 0.00 0.00 0.00 179.25 179.43 3ipk h ALA 416 N 1.43 0.35 -0.33 0.00 0.00 -1.26 -2.28 119.26 117.17 3ipk h ALA 416 Ca 0.39 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3ipk h ALA 416 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3ipk h ALA 416 CO -0.20 0.22 0.12 -0.92 0.00 0.00 0.00 179.25 178.46 3ipk h TYR 417 N 0.24 0.21 -0.91 0.00 3.20 -0.68 0.58 116.97 119.62 3ipk h TYR 417 Ca 0.05 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.96 3ipk h TYR 417 Cb 0.63 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 3ipk h TYR 417 CO 0.06 0.09 0.59 0.93 -1.64 0.00 0.00 178.16 178.20 3ipk h GLU 418 N 0.26 1.15 -0.55 1.82 5.08 -0.95 0.57 114.58 121.96 3ipk h GLU 418 Ca 0.15 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3ipk h GLU 418 Cb 0.11 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3ipk h GLU 418 CO -0.15 0.76 0.05 0.00 -1.00 0.00 0.00 179.01 178.68 3ipk h ALA 419 N 1.35 1.05 -0.59 3.43 0.00 -0.75 -0.92 119.26 122.83 3ipk h ALA 419 Ca 0.35 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3ipk h ALA 419 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3ipk h ALA 419 CO -0.09 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.72 3ipk h ALA 420 N 1.20 0.80 -0.57 0.00 0.00 -0.01 -2.38 119.26 118.29 3ipk h ALA 420 Ca 0.17 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3ipk h ALA 420 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ipk h ALA 420 CO 0.01 0.66 0.12 0.28 0.00 0.00 0.00 179.25 180.33 3ipk h VAL 421 N 0.95 1.24 -0.15 0.00 2.07 -0.47 -1.21 116.25 118.69 3ipk h VAL 421 Ca 0.16 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3ipk h VAL 421 Cb 0.60 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3ipk h VAL 421 CO 0.04 0.33 0.06 0.00 0.02 0.00 0.00 177.57 178.02 3ipk h ALA 422 N 1.27 0.19 -0.34 1.67 0.00 -0.91 -1.20 119.26 119.94 3ipk h ALA 422 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ipk h ALA 422 Cb 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ipk h ALA 422 CO 0.00 -0.23 0.13 0.00 0.00 0.00 0.00 179.25 179.15 3ipk h ALA 423 N 0.91 0.44 -0.91 0.00 0.00 -1.28 -1.34 119.26 117.09 3ipk h ALA 423 Ca 0.05 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ipk h ALA 423 Cb 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3ipk h ALA 423 CO -0.00 0.05 0.59 -0.97 0.00 0.00 0.00 179.25 178.91 3ipk h ASN 424 N 0.40 0.98 -0.46 0.00 -0.73 -1.14 0.27 115.58 114.90 3ipk h ASN 424 Ca 0.11 -0.01 -0.12 0.00 1.87 0.00 0.00 56.30 58.15 3ipk h ASN 424 Cb 0.20 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 3ipk h ASN 424 CO -0.01 0.68 -0.17 0.78 -0.37 0.00 0.00 177.43 178.34 3ipk h ASN 425 N 1.15 0.94 -0.54 1.15 -0.26 -0.99 -1.64 115.58 115.39 3ipk h ASN 425 Ca 0.36 -0.39 -0.07 0.00 -0.56 0.00 0.00 56.30 55.64 3ipk h ASN 425 Cb -0.01 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.96 3ipk h ASN 425 CO -0.11 1.12 0.08 0.00 -1.06 0.00 0.00 177.43 177.46 3ipk h ALA 426 N 0.86 1.04 -0.28 -0.83 0.00 -0.78 0.33 119.26 119.60 3ipk h ALA 426 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3ipk h ALA 426 Cb 0.74 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ipk h ALA 426 CO 0.06 0.61 0.07 0.00 0.00 0.00 0.00 179.25 179.99 3ipk h ALA 427 N 1.19 0.37 -0.26 0.00 0.00 -0.77 -2.13 119.26 117.68 3ipk h ALA 427 Ca 0.18 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3ipk h ALA 427 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ipk h ALA 427 CO 0.01 0.04 -0.20 -0.91 0.00 0.00 0.00 179.25 178.19 3ipk h ASN 428 N 0.29 0.62 -0.55 0.00 2.35 -1.14 0.26 115.58 117.42 3ipk h ASN 428 Ca 0.09 -0.45 0.08 0.00 -0.55 0.00 0.00 56.30 55.47 3ipk h ASN 428 Cb 0.29 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 3ipk h ASN 428 CO 0.00 0.94 0.20 0.00 -1.65 0.00 0.00 177.43 176.92 3ipk h ALA 429 N 0.70 0.69 -0.14 -0.83 0.00 -0.92 0.48 119.26 119.24 3ipk h ALA 429 Ca 0.05 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3ipk h ALA 429 Cb 0.74 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3ipk h ALA 429 CO 0.05 -0.20 -0.54 0.00 0.00 0.00 0.00 179.25 178.56 3ipk h ALA 430 N 1.37 0.82 -0.28 0.00 0.00 -1.33 -2.47 119.26 117.37 3ipk h ALA 430 Ca 0.27 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3ipk h ALA 430 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ipk h ALA 430 CO -0.27 0.69 -0.30 1.25 0.00 0.00 0.00 179.25 180.61 3ipk h LEU 431 N 0.31 0.59 0.20 0.00 5.85 0.38 -0.33 115.31 122.31 3ipk h LEU 431 Ca 0.01 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3ipk h LEU 431 Cb 1.05 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3ipk h LEU 431 CO 0.09 0.87 -0.10 0.74 -0.34 0.00 0.00 178.44 179.70 3ipk h THR 432 N 0.50 0.89 -0.63 1.05 2.02 0.02 0.07 112.91 116.83 3ipk h THR 432 Ca 0.06 -0.79 0.02 0.00 0.77 0.00 0.00 66.41 66.47 3ipk h THR 432 Cb 0.77 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3ipk h THR 432 CO 0.06 0.17 0.42 0.00 0.37 0.00 0.00 175.52 176.54 3ipk h ALA 433 N -0.02 1.60 -0.21 6.16 0.00 -1.42 -0.43 119.26 124.94 3ipk h ALA 433 Ca -0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3ipk h ALA 433 Cb 0.48 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ipk h ALA 433 CO 0.04 0.35 -0.36 1.49 0.00 0.00 0.00 179.25 180.77 3ipk h GLU 434 N 0.81 0.63 -0.52 0.00 4.57 -1.00 -1.69 114.58 117.37 3ipk h GLU 434 Ca 0.24 -0.39 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 3ipk h GLU 434 Cb -0.02 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3ipk h GLU 434 CO -0.06 1.00 0.16 -0.91 -1.18 0.00 0.00 179.01 178.02 3ipk h ASN 435 N 0.32 0.70 -0.31 1.04 2.35 -0.40 0.20 115.58 119.47 3ipk h ASN 435 Ca 0.02 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3ipk h ASN 435 Cb 0.96 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 3ipk h ASN 435 CO 0.08 0.67 -0.02 0.74 -1.65 0.00 0.00 177.43 177.25 3ipk h THR 436 N 0.75 1.26 0.11 2.81 2.02 -1.01 -0.70 112.91 118.15 3ipk h THR 436 Ca 0.17 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 3ipk h THR 436 Cb 0.22 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3ipk h THR 436 CO -0.01 0.32 -0.05 0.00 0.37 0.00 0.00 175.52 176.15 3ipk h ALA 437 N 0.83 -0.15 -1.00 6.16 0.00 -0.79 -1.49 119.26 122.82 3ipk h ALA 437 Ca 0.09 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.13 3ipk h ALA 437 Cb 0.48 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 3ipk h ALA 437 CO 0.02 -0.57 0.62 0.82 0.00 0.00 0.00 179.25 180.13 3ipk h ILE 438 N -0.17 0.74 -0.68 0.00 2.04 -0.52 0.15 117.51 119.07 3ipk h ILE 438 Ca -0.02 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 3ipk h ILE 438 Cb 0.13 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 3ipk h ILE 438 CO 0.02 0.15 0.18 0.50 0.00 0.00 0.00 178.15 179.00 3ipk h LYS 439 N 0.80 1.07 0.17 2.37 3.64 -0.44 -2.25 116.57 121.93 3ipk h LYS 439 Ca 0.56 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 3ipk h LYS 439 Cb 0.84 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3ipk h LYS 439 CO -0.36 0.94 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.46 3ipk h LYS 440 N 1.02 -0.22 -0.48 1.90 3.64 0.23 -2.77 116.57 119.89 3ipk h LYS 440 Ca 0.22 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.70 3ipk h LYS 440 Cb 0.34 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.14 3ipk h LYS 440 CO -0.00 0.12 0.06 0.00 -2.27 0.00 0.00 179.45 177.36 3ipk h ARG 441 N -0.59 0.18 -0.38 1.90 3.08 -1.06 0.45 114.38 117.96 3ipk h ARG 441 Ca -0.02 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3ipk h ARG 441 Cb 0.44 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3ipk h ARG 441 CO 0.04 0.12 0.25 -0.91 -1.07 0.00 0.00 179.97 178.40 3ipk h ASN 442 N 0.19 0.43 -0.12 7.04 2.35 -1.44 0.19 115.58 124.21 3ipk h ASN 442 Ca 0.24 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 3ipk h ASN 442 Cb 0.34 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 3ipk h ASN 442 CO -0.35 0.31 -0.12 0.00 -1.65 0.00 0.00 177.43 175.63 3ipk h ALA 443 N 1.76 0.18 0.20 -0.83 0.00 -0.76 -1.51 119.26 118.30 3ipk h ALA 443 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ipk h ALA 443 Cb -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ipk h ALA 443 CO -0.03 0.03 -0.09 -0.44 0.00 0.00 0.00 179.25 178.72 3ipk h ASP 444 N -0.10 -0.22 -0.92 0.00 3.32 -0.41 -0.39 116.42 117.70 3ipk h ASP 444 Ca 0.02 -0.07 0.13 0.00 0.02 0.00 0.00 57.03 57.13 3ipk h ASP 444 Cb 0.64 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.16 3ipk h ASP 444 CO 0.03 -0.07 0.54 0.00 -1.72 0.00 0.00 179.24 178.02 3ipk h ALA 445 N 0.42 1.39 -0.27 3.45 0.00 -0.70 0.27 119.26 123.82 3ipk h ALA 445 Ca -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ipk h ALA 445 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ipk h ALA 445 CO 0.04 0.08 0.08 -0.22 0.00 0.00 0.00 179.25 179.23 3ipk h LYS 446 N 0.82 0.43 0.16 0.00 3.64 -0.96 -1.45 116.57 119.20 3ipk h LYS 446 Ca 0.47 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 3ipk h LYS 446 Cb 0.55 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3ipk h LYS 446 CO -0.30 0.50 -0.07 0.00 -2.27 0.00 0.00 179.45 177.30 3ipk h ALA 447 N 0.91 -0.21 -0.67 5.00 0.00 0.29 -1.27 119.26 123.31 3ipk h ALA 447 Ca 0.09 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3ipk h ALA 447 Cb 0.25 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3ipk h ALA 447 CO -0.00 -0.53 0.44 -0.44 0.00 0.00 0.00 179.25 178.72 3ipk h ASP 448 N -0.39 0.52 -0.10 0.00 3.32 -0.54 0.21 116.42 119.45 3ipk h ASP 448 Ca -0.02 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3ipk h ASP 448 Cb 0.30 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3ipk h ASP 448 CO 0.04 0.32 0.00 0.22 -1.72 0.00 0.00 179.24 178.10 3ipk h TYR 449 N 0.58 0.18 0.00 4.55 3.20 -0.97 -1.74 116.97 122.76 3ipk h TYR 449 Ca 0.30 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 3ipk h TYR 449 Cb 0.42 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 3ipk h TYR 449 CO -0.00 0.41 -0.11 0.93 -1.64 0.00 0.00 178.16 177.75 3ipk h GLU 450 N -0.10 0.00 -0.08 1.82 5.08 -0.31 -0.95 114.58 120.03 3ipk h GLU 450 Ca 0.03 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 3ipk h GLU 450 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3ipk h GLU 450 CO 0.00 0.11 -0.75 0.00 -1.00 0.00 0.00 179.01 177.38 3ipk h ALA 451 N 1.89 0.54 -0.00 3.43 0.00 -0.64 -2.59 119.26 121.89 3ipk h ALA 451 Ca -0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 3ipk h ALA 451 Cb 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ipk h ALA 451 CO 0.01 0.75 -0.72 0.87 0.00 0.00 0.00 179.25 180.16 3ipk h LYS 452 N 0.31 0.01 -0.11 0.00 1.57 -0.39 -3.09 116.57 114.87 3ipk h LYS 452 Ca -0.04 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 3ipk h LYS 452 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 3ipk h LYS 452 CO 0.13 0.73 -0.52 -0.07 -0.57 0.00 0.00 179.45 179.15 3ipk h LEU 453 N 0.01 0.33 -0.49 2.94 3.38 -1.11 0.48 115.31 120.85 3ipk h LEU 453 Ca -0.01 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3ipk h LEU 453 Cb 1.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3ipk h LEU 453 CO 0.10 0.80 -0.04 0.00 0.09 0.00 0.00 178.44 179.38 3ipk h ALA 454 N 1.21 0.66 -0.26 1.53 0.00 -1.42 0.33 119.26 121.31 3ipk h ALA 454 Ca 0.01 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 3ipk h ALA 454 Cb 1.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ipk h ALA 454 CO 0.08 0.50 -0.58 -0.22 0.00 0.00 0.00 179.25 179.03 3ipk h LYS 455 N 0.74 0.84 -0.30 0.00 3.64 -1.45 -2.87 116.57 117.17 3ipk h LYS 455 Ca 0.13 -0.56 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 3ipk h LYS 455 Cb 0.57 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3ipk h LYS 455 CO 0.03 1.19 0.11 -0.92 -2.27 0.00 0.00 179.45 177.59 3ipk h TYR 456 N 0.64 0.47 -0.81 1.91 3.20 -0.71 0.35 116.97 122.02 3ipk h TYR 456 Ca 0.00 -0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.93 3ipk h TYR 456 Cb 1.19 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 3ipk h TYR 456 CO 0.07 0.47 0.53 0.37 -1.64 0.00 0.00 178.16 177.97 3ipk h GLN 457 N 0.33 0.74 0.01 1.82 4.15 -0.35 0.41 115.11 122.22 3ipk h GLN 457 Ca 0.10 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 3ipk h GLN 457 Cb 0.21 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3ipk h GLN 457 CO -0.01 0.49 -0.00 0.00 -1.93 0.00 0.00 178.83 177.38 3ipk h ALA 458 N 1.59 -0.01 -0.80 3.38 0.00 -1.23 -2.52 119.26 119.67 3ipk h ALA 458 Ca 0.37 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ipk h ALA 458 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3ipk h ALA 458 CO -0.15 -0.11 0.48 -0.44 0.00 0.00 0.00 179.25 179.04 3ipk h ASP 459 N -0.80 0.95 -0.49 0.00 3.32 -0.58 -1.57 116.42 117.26 3ipk h ASP 459 Ca -0.00 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 3ipk h ASP 459 Cb 0.78 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3ipk h ASP 459 CO 0.00 0.73 -0.03 0.25 -1.72 0.00 0.00 179.24 178.47 3ipk h LEU 460 N 1.10 0.91 -0.57 1.55 5.85 -0.27 -0.28 115.31 123.59 3ipk h LEU 460 Ca 0.29 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3ipk h LEU 460 Cb -0.05 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3ipk h LEU 460 CO -0.05 0.99 0.12 0.00 -0.34 0.00 0.00 178.44 179.15 3ipk h ALA 461 N 1.10 0.76 -0.54 1.25 0.00 -0.94 -1.75 119.26 119.14 3ipk h ALA 461 Ca 0.15 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3ipk h ALA 461 Cb 0.55 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ipk h ALA 461 CO 0.03 0.48 -0.12 -0.22 0.00 0.00 0.00 179.25 179.42 3ipk h LYS 462 N 0.83 1.03 0.37 0.00 3.64 -1.05 -2.23 116.57 119.16 3ipk h LYS 462 Ca 0.18 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 3ipk h LYS 462 Cb 0.38 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3ipk h LYS 462 CO 0.01 1.08 -0.19 -0.92 -2.27 0.00 0.00 179.45 177.16 3ipk h TYR 463 N 0.92 -0.48 -0.82 1.91 3.20 -0.83 0.15 116.97 121.01 3ipk h TYR 463 Ca 0.14 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.02 3ipk h TYR 463 Cb 0.69 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.08 3ipk h TYR 463 CO 0.05 -0.30 0.54 1.96 -1.64 0.00 0.00 178.16 178.77 3ipk h GLN 464 N -0.51 1.02 -0.03 1.82 4.20 -1.31 0.31 115.11 120.62 3ipk h GLN 464 Ca -0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3ipk h GLN 464 Cb 0.40 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3ipk h GLN 464 CO 0.08 0.67 0.00 -0.22 -0.67 0.00 0.00 178.83 178.69 3ipk h LYS 465 N 1.05 0.04 -0.84 1.46 1.63 -1.19 -1.65 116.57 117.08 3ipk h LYS 465 Ca 0.32 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.07 3ipk h LYS 465 Cb -0.03 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 3ipk h LYS 465 CO -0.08 0.33 0.38 -0.44 -3.45 0.00 0.00 179.45 176.19 3ipk h ASP 466 N -0.25 1.11 -0.70 4.20 3.32 -0.59 -1.20 116.42 122.31 3ipk h ASP 466 Ca 0.01 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 3ipk h ASP 466 Cb 0.31 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3ipk h ASP 466 CO 0.00 0.95 0.28 0.25 -1.72 0.00 0.00 179.24 179.00 3ipk h LEU 467 N 1.20 0.97 -0.84 1.55 5.85 -0.89 0.31 115.31 123.47 3ipk h LEU 467 Ca 0.28 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3ipk h LEU 467 Cb 0.15 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3ipk h LEU 467 CO -0.03 0.87 0.07 0.00 -0.34 0.00 0.00 178.44 179.01 3ipk h ALA 468 N 1.27 1.04 0.00 1.25 0.00 -0.64 -3.07 119.26 119.11 3ipk h ALA 468 Ca 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ipk h ALA 468 Cb 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ipk h ALA 468 CO -0.02 0.61 -0.55 -0.44 0.00 0.00 0.00 179.25 178.85 3ipk h ASP 469 N 0.88 0.00 -0.82 0.00 3.32 -0.68 -3.40 116.42 115.73 3ipk h ASP 469 Ca 0.18 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.35 3ipk h ASP 469 Cb 0.42 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.84 3ipk h ASP 469 CO 0.01 0.09 -0.41 0.22 -1.72 0.00 0.00 179.24 177.43 3ipk h TYR 470 N 0.00 -1.20 -0.93 4.55 3.20 -0.29 -1.20 116.97 121.11 3ipk h TYR 470 Ca -0.01 0.10 0.03 0.00 3.14 0.00 0.00 58.73 61.99 3ipk h TYR 470 Cb 1.08 0.64 -0.05 0.00 1.54 0.00 0.00 36.73 39.94 3ipk h TYR 470 CO 0.00 -0.40 0.61 -1.35 -1.64 0.00 0.00 178.16 175.38 3ipk h PRO 471 N -0.09 1.14 -0.43 1.82 0.11 -1.77 0.15 132.00 132.93 3ipk h PRO 471 Ca 0.26 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 66.17 3ipk h PRO 471 Cb 0.56 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3ipk h PRO 471 CO -0.85 0.75 -0.27 0.28 -0.21 0.00 0.00 178.00 177.70 3ipk h VAL 472 N 1.17 1.27 -0.28 3.15 2.07 -1.55 -1.15 116.25 120.93 3ipk h VAL 472 Ca 0.37 -1.43 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 3ipk h VAL 472 Cb 0.00 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3ipk h VAL 472 CO -0.11 0.48 -0.19 0.11 0.02 0.00 0.00 177.57 177.89 3ipk h LYS 473 N 0.78 0.62 -0.81 1.57 1.57 -0.88 -2.65 116.57 116.77 3ipk h LYS 473 Ca 0.09 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 3ipk h LYS 473 Cb 0.84 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 3ipk h LYS 473 CO 0.07 0.88 0.36 1.25 -0.57 0.00 0.00 179.45 181.45 3ipk h LEU 474 N 0.36 1.09 -0.67 2.94 5.85 -0.90 -1.57 115.31 122.40 3ipk h LEU 474 Ca 0.06 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3ipk h LEU 474 Cb 0.72 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3ipk h LEU 474 CO 0.05 0.93 0.41 0.50 -0.34 0.00 0.00 178.44 179.99 3ipk h LYS 475 N 1.17 0.91 -0.69 1.25 3.64 -1.14 0.15 116.57 121.85 3ipk h LYS 475 Ca 0.28 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3ipk h LYS 475 Cb 0.16 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3ipk h LYS 475 CO -0.03 0.64 0.22 0.00 -2.27 0.00 0.00 179.45 178.02 3ipk h ALA 476 N 1.21 1.08 0.32 5.00 0.00 -1.10 0.13 119.26 125.90 3ipk h ALA 476 Ca 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ipk h ALA 476 Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3ipk h ALA 476 CO -0.05 0.63 -0.15 -0.92 0.00 0.00 0.00 179.25 178.76 3ipk h TYR 477 N 1.02 -0.39 -0.77 0.00 3.20 -0.62 -1.48 116.97 117.93 3ipk h TYR 477 Ca 0.23 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3ipk h TYR 477 Cb 0.28 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3ipk h TYR 477 CO 0.02 -0.11 0.44 0.93 -1.64 0.00 0.00 178.16 177.80 3ipk h GLU 478 N -0.65 1.07 -0.25 1.82 4.39 -0.60 -0.67 114.58 119.68 3ipk h GLU 478 Ca -0.04 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.56 3ipk h GLU 478 Cb 0.46 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 3ipk h GLU 478 CO 0.07 0.78 0.12 -0.44 -1.16 0.00 0.00 179.01 178.39 3ipk h ASP 479 N 1.07 0.18 -0.52 1.42 3.32 -0.72 -0.92 116.42 120.24 3ipk h ASP 479 Ca 0.27 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 3ipk h ASP 479 Cb 0.01 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3ipk h ASP 479 CO -0.05 0.14 0.11 -0.08 -1.72 0.00 0.00 179.24 177.64 3ipk h GLU 480 N 0.26 0.84 -0.95 3.56 4.81 -0.90 -1.13 114.58 121.06 3ipk h GLU 480 Ca 0.10 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3ipk h GLU 480 Cb 0.03 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 3ipk h GLU 480 CO -0.08 0.81 0.62 1.96 -0.73 0.00 0.00 179.01 181.60 3ipk h GLN 481 N 0.73 1.16 -0.48 1.92 1.08 -0.89 0.25 115.11 118.88 3ipk h GLN 481 Ca 0.16 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 3ipk h GLN 481 Cb 0.36 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 3ipk h GLN 481 CO 0.00 0.77 -0.08 1.15 -0.95 0.00 0.00 178.83 179.72 3ipk h THR 482 N 1.20 1.27 -0.64 -0.54 2.02 -0.88 -1.43 112.91 113.92 3ipk h THR 482 Ca 0.38 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 3ipk h THR 482 Cb 0.01 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3ipk h THR 482 CO -0.12 0.41 0.24 -1.28 0.37 0.00 0.00 175.52 175.15 3ipk h SER 483 N 0.74 0.89 -0.30 4.18 0.87 -0.05 -2.21 113.55 117.68 3ipk h SER 483 Ca 0.12 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 3ipk h SER 483 Cb 0.62 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3ipk h SER 483 CO 0.04 0.83 0.04 0.40 -0.53 0.00 0.00 176.83 177.61 3ipk h ILE 484 N 0.90 1.24 -0.71 2.23 2.04 -0.45 -1.18 117.51 121.57 3ipk h ILE 484 Ca 0.21 -0.82 0.10 0.00 1.00 0.00 0.00 64.86 65.35 3ipk h ILE 484 Cb 0.23 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3ipk h ILE 484 CO -0.01 0.27 0.34 0.50 0.00 0.00 0.00 178.15 179.25 3ipk h LYS 485 N 0.31 0.56 -0.46 2.37 3.64 -1.09 0.67 116.57 122.58 3ipk h LYS 485 Ca 0.09 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 3ipk h LYS 485 Cb 0.35 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3ipk h LYS 485 CO 0.01 0.37 -0.25 0.00 -2.27 0.00 0.00 179.45 177.31 3ipk h ALA 486 N 1.44 0.69 -0.76 5.00 0.00 -1.21 -2.16 119.26 122.27 3ipk h ALA 486 Ca 0.35 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ipk h ALA 486 Cb 0.40 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3ipk h ALA 486 CO -0.28 0.67 0.28 0.00 0.00 0.00 0.00 179.25 179.92 3ipk h ALA 487 N 0.88 0.99 -0.39 0.00 0.00 -0.36 -1.89 119.26 118.49 3ipk h ALA 487 Ca 0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3ipk h ALA 487 Cb 0.83 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3ipk h ALA 487 CO 0.07 0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 179.79 3ipk h LEU 488 N 1.10 0.65 -0.63 0.00 3.38 -0.75 0.51 115.31 119.58 3ipk h LEU 488 Ca 0.25 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3ipk h LEU 488 Cb 0.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3ipk h LEU 488 CO -0.02 0.78 0.11 0.00 0.09 0.00 0.00 178.44 179.41 3ipk h ALA 489 N 1.28 0.84 -0.31 1.53 0.00 -0.98 -2.21 119.26 119.40 3ipk h ALA 489 Ca 0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3ipk h ALA 489 Cb 0.52 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ipk h ALA 489 CO 0.03 0.59 -0.03 1.49 0.00 0.00 0.00 179.25 181.33 3ipk h GLU 490 N 0.95 0.57 -0.21 0.00 4.57 -0.95 -2.95 114.58 116.57 3ipk h GLU 490 Ca 0.19 -0.20 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3ipk h GLU 490 Cb 0.42 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3ipk h GLU 490 CO 0.01 0.73 0.15 -0.07 -1.18 0.00 0.00 179.01 178.65 3ipk h LEU 491 N 0.36 0.00 -2.03 1.64 3.38 -0.66 -1.26 115.31 116.73 3ipk h LEU 491 Ca 0.09 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.18 3ipk h LEU 491 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3ipk h LEU 491 CO 0.02 0.00 0.35 -0.08 0.09 0.00 0.00 178.44 178.82 3ipk h GLU 492 N 0.00 0.00 0.00 1.13 4.57 -1.21 0.14 114.58 119.21 3ipk h GLU 492 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3ipk h GLU 492 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3ipk h GLU 492 CO -0.00 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.46 3ipk n LYS 493 N -4.18 0.36 -0.19 1.92 5.02 -0.48 -3.67 118.16 116.94 3ipk n LYS 493 Ca 0.07 0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.39 3ipk n LYS 493 Cb 0.54 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.08 3ipk n LYS 493 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3ipk n HIS 494 N -1.32 0.00 0.16 2.13 8.25 0.44 -4.85 115.22 120.04 3ipk n HIS 494 Ca 0.13 -0.30 0.02 0.00 -0.26 0.00 0.00 57.72 57.31 3ipk n HIS 494 Cb 0.25 -0.06 0.10 0.00 1.12 0.00 0.00 29.99 31.40 3ipk n HIS 494 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3ipk n LYS 495 N -0.40 0.02 -0.14 -0.41 2.85 -0.85 -1.47 118.16 117.77 3ipk n LYS 495 Ca 0.04 0.36 0.05 0.00 -1.05 0.00 0.00 58.31 57.70 3ipk n LYS 495 Cb 0.56 -1.50 0.12 0.00 -0.65 0.00 0.00 35.03 33.56 3ipk n LYS 495 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3ipk n ASN 496 N -1.42 2.70 -4.85 -5.58 3.02 -1.26 -4.01 115.26 103.86 3ipk n ASN 496 Ca 0.01 -1.94 -0.35 0.00 -0.03 0.00 0.00 54.58 52.27 3ipk n ASN 496 Cb 0.04 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 3ipk n ASN 496 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ipk s GLU 497 N -0.98 3.89 0.18 3.52 2.02 -0.54 -4.85 118.70 121.94 3ipk s GLU 497 Ca 0.19 0.37 -0.30 0.00 0.02 0.00 0.00 54.97 55.24 3ipk s GLU 497 Cb 0.10 -2.96 -0.17 0.00 0.10 0.00 0.00 34.13 31.20 3ipk s GLU 497 CO 0.14 0.51 0.75 -0.25 0.02 0.00 0.00 175.26 176.43 3ipk n ASP 498 N 0.86 -0.42 0.00 -0.19 8.00 -1.26 -1.58 116.55 121.96 3ipk n ASP 498 Ca -0.06 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.58 3ipk n ASP 498 Cb 0.52 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 3ipk n ASP 498 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ipk n GLY 499 N 1.81 2.18 3.83 0.44 0.00 0.46 -4.94 105.19 108.97 3ipk n GLY 499 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3ipk n GLY 499 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ipk s ASN 500 N -3.58 6.74 0.12 1.61 0.01 -0.62 -0.23 114.94 119.00 3ipk s ASN 500 Ca 0.00 0.88 -0.31 0.00 -0.71 0.00 0.00 52.86 52.72 3ipk s ASN 500 Cb 0.00 -2.23 -0.09 0.00 0.41 0.00 0.00 41.25 39.34 3ipk s ASN 500 CO 0.00 0.31 1.65 -0.76 -1.51 0.00 0.00 177.10 176.79 3ipk s LEU 501 N -0.92 4.37 0.55 0.60 1.43 -1.26 -0.20 118.68 123.26 3ipk s LEU 501 Ca 0.23 2.60 0.24 0.00 -1.03 0.00 0.00 54.13 56.16 3ipk s LEU 501 Cb -0.16 -3.58 1.51 0.00 0.03 0.00 0.00 46.19 44.00 3ipk s LEU 501 CO 0.12 -0.88 2.14 0.71 0.23 0.00 0.00 176.35 178.66 3ipk h THR 502 N 4.42 0.72 -3.37 5.49 1.35 -1.04 -3.25 112.91 117.23 3ipk h THR 502 Ca -0.43 0.00 -0.64 0.00 -0.55 0.00 0.00 66.41 64.79 3ipk h THR 502 Cb 1.20 0.92 -0.41 0.00 -1.73 0.00 0.00 68.15 68.13 3ipk h THR 502 CO 0.93 0.00 -0.65 -1.61 -0.25 0.00 0.00 175.52 173.94 3ipk s GLU 503 N -4.85 1.86 0.07 4.72 2.02 -1.26 -4.88 118.70 116.37 3ipk s GLU 503 Ca -0.05 -2.50 -0.35 0.00 0.02 0.00 0.00 54.97 52.10 3ipk s GLU 503 Cb 0.17 -3.21 -0.18 0.00 0.10 0.00 0.00 34.13 31.00 3ipk s GLU 503 CO 0.62 -1.10 0.85 -2.30 0.02 0.00 0.00 175.26 173.35 3ipk n PRO 504 N 3.26 0.00 -3.50 0.39 -0.02 -1.23 -4.97 135.00 128.94 3ipk n PRO 504 Ca 0.05 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.39 3ipk n PRO 504 Cb 0.33 -1.28 -0.04 0.00 -0.02 0.00 0.00 33.50 32.49 3ipk n PRO 504 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ipk s SER 505 N -0.34 -0.55 0.43 2.55 0.15 -1.26 -5.10 113.70 109.57 3ipk s SER 505 Ca 0.79 0.37 -0.02 0.00 0.70 0.00 0.00 55.95 57.79 3ipk s SER 505 Cb -1.11 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 63.67 3ipk s SER 505 CO 0.55 -0.68 0.67 0.00 1.20 0.00 0.00 173.24 174.99 3ipk s ALA 506 N -2.16 3.59 -0.40 5.45 0.00 -1.26 -4.38 121.76 122.59 3ipk s ALA 506 Ca -0.04 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.05 3ipk s ALA 506 Cb -0.00 -2.30 0.08 0.00 0.00 0.00 0.00 23.12 20.89 3ipk s ALA 506 CO -0.00 -0.26 0.22 -1.14 0.00 0.00 0.00 175.76 174.58 3ipk s GLN 507 N -4.55 2.51 0.00 0.00 2.00 0.99 -4.77 119.66 115.85 3ipk s GLN 507 Ca 0.45 -1.46 0.27 0.00 -2.00 0.00 0.00 55.36 52.62 3ipk s GLN 507 Cb -0.10 -3.67 0.98 0.00 0.80 0.00 0.00 33.01 31.02 3ipk s GLN 507 CO 0.40 -0.91 1.70 0.27 -0.50 0.00 0.00 175.29 176.25 3ipk n ASN 508 N 4.84 1.58 -4.27 6.67 0.23 -1.26 -1.94 115.26 121.11 3ipk n ASN 508 Ca -0.09 -1.55 -0.37 0.00 -0.53 0.00 0.00 54.58 52.04 3ipk n ASN 508 Cb 0.43 -0.02 -0.13 0.00 -2.08 0.00 0.00 39.78 37.98 3ipk n ASN 508 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3ipk s LEU 509 N -1.94 4.05 -0.45 -4.53 2.96 -1.26 0.04 118.68 117.55 3ipk s LEU 509 Ca 0.37 -1.04 -0.14 0.00 -0.22 0.00 0.00 54.13 53.10 3ipk s LEU 509 Cb 0.20 -1.83 0.06 0.00 0.50 0.00 0.00 46.19 45.13 3ipk s LEU 509 CO 0.32 -0.27 0.34 -0.69 -1.32 0.00 0.00 176.35 174.74 3ipk s VAL 510 N 1.39 4.98 -0.39 1.68 1.01 0.10 -4.73 120.40 124.44 3ipk s VAL 510 Ca -0.01 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 60.97 3ipk s VAL 510 Cb -0.19 -3.95 0.17 0.00 0.00 0.00 0.00 36.38 32.42 3ipk s VAL 510 CO 0.01 -0.50 0.54 -0.47 0.00 0.00 0.00 175.10 174.68 3ipk s TYR 511 N 1.60 -1.21 0.00 5.22 5.04 -1.26 -0.39 117.35 126.35 3ipk s TYR 511 Ca 0.04 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 3ipk s TYR 511 Cb -0.23 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.13 3ipk s TYR 511 CO 0.06 -1.10 0.00 -0.40 -1.34 0.00 0.00 175.55 172.77 3ipk n ASP 512 N 4.38 0.00 -3.20 4.32 5.68 -1.26 0.06 116.55 126.53 3ipk n ASP 512 Ca 0.11 -0.70 0.01 0.00 -0.50 0.00 0.00 54.79 53.71 3ipk n ASP 512 Cb 0.53 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 3ipk n ASP 512 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3ipk s LEU 513 N 0.00 -1.23 -0.40 -2.12 2.96 -1.26 -4.94 118.68 111.69 3ipk s LEU 513 Ca 0.00 0.68 0.09 0.00 -0.22 0.00 0.00 54.13 54.68 3ipk s LEU 513 Cb 0.00 1.92 0.29 0.00 0.50 0.00 0.00 46.19 48.90 3ipk s LEU 513 CO 0.00 -0.27 0.62 -0.62 -1.32 0.00 0.00 176.35 174.76 3ipk n GLU 514 N 5.41 0.95 0.09 1.98 -0.58 -1.26 -4.51 120.64 122.73 3ipk n GLU 514 Ca -0.01 -3.39 0.08 0.00 -0.42 0.00 0.00 57.16 53.42 3ipk n GLU 514 Cb 0.51 -1.47 0.54 0.00 -0.57 0.00 0.00 31.44 30.45 3ipk n GLU 514 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ipk h PRO 515 N 3.60 0.26 -0.64 3.49 0.11 -1.96 -2.68 132.00 134.18 3ipk h PRO 515 Ca 0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3ipk h PRO 515 Cb 0.89 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3ipk h PRO 515 CO 0.50 0.17 0.00 0.09 -0.21 0.00 0.00 178.00 178.55 3ipk n ASN 516 N -4.49 3.95 -4.76 -2.05 3.02 -1.26 -4.83 115.26 104.84 3ipk n ASN 516 Ca 0.02 -2.25 -0.37 0.00 -0.03 0.00 0.00 54.58 51.95 3ipk n ASN 516 Cb 0.17 -0.50 0.02 0.00 -0.61 0.00 0.00 39.78 38.85 3ipk n ASN 516 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ipk s ALA 517 N -1.57 2.82 -0.10 5.41 0.00 -1.01 -4.87 121.76 122.44 3ipk s ALA 517 Ca 0.44 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 3ipk s ALA 517 Cb 0.27 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 3ipk s ALA 517 CO 0.24 -0.99 0.01 -0.80 0.00 0.00 0.00 175.76 174.23 3ipk s ASN 518 N -1.30 5.32 -0.11 0.00 0.01 -0.39 -4.67 114.94 113.79 3ipk s ASN 518 Ca 0.69 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.99 3ipk s ASN 518 Cb -0.32 -1.59 -0.02 0.00 0.41 0.00 0.00 41.25 39.73 3ipk s ASN 518 CO 0.38 0.35 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.98 3ipk s LEU 519 N -0.68 2.81 -0.05 0.60 2.96 -1.26 -1.12 118.68 121.94 3ipk s LEU 519 Ca 0.11 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3ipk s LEU 519 Cb -0.12 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3ipk s LEU 519 CO 0.02 0.21 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.61 3ipk s SER 520 N 0.09 1.55 -0.07 3.68 0.15 -0.56 -4.99 113.70 113.56 3ipk s SER 520 Ca -0.05 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.40 3ipk s SER 520 Cb -0.14 -0.65 -0.01 0.00 -1.71 0.00 0.00 66.02 63.51 3ipk s SER 520 CO 0.04 0.04 -0.23 -0.76 1.20 0.00 0.00 173.24 173.52 3ipk s LEU 521 N 0.56 2.17 0.26 3.45 1.43 -1.26 -1.01 118.68 124.27 3ipk s LEU 521 Ca -0.11 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 52.61 3ipk s LEU 521 Cb -0.14 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3ipk s LEU 521 CO 0.02 0.24 -0.04 0.42 0.23 0.00 0.00 176.35 177.22 3ipk s THR 522 N -0.11 3.27 -0.14 5.49 -4.23 -0.86 -4.86 115.64 114.20 3ipk s THR 522 Ca -0.05 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.18 3ipk s THR 522 Cb -0.14 -2.74 0.09 0.00 1.34 0.00 0.00 72.50 71.05 3ipk s THR 522 CO 0.04 -0.37 0.80 0.28 -0.54 0.00 0.00 174.62 174.83 3ipk s THR 523 N -2.33 0.00 -2.01 3.99 -1.32 -1.26 -0.20 115.64 112.50 3ipk s THR 523 Ca 0.31 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.96 3ipk s THR 523 Cb -0.06 -1.00 0.49 0.00 -1.51 0.00 0.00 72.50 70.42 3ipk s THR 523 CO 0.19 0.00 1.41 -0.90 -2.21 0.00 0.00 174.62 173.11 3ipk n ASP 524 N 1.33 2.96 0.00 8.08 5.75 -1.11 -4.90 116.55 128.65 3ipk n ASP 524 Ca -0.15 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 3ipk n ASP 524 Cb 0.57 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3ipk n ASP 524 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ipk n GLY 525 N 1.38 2.61 3.22 6.12 0.00 -1.26 -4.91 105.19 112.35 3ipk n GLY 525 Ca 0.19 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 3ipk n GLY 525 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ipk s LYS 526 N 4.78 2.61 0.32 1.61 -0.14 -0.67 -4.97 119.74 123.27 3ipk s LYS 526 Ca 0.00 -0.83 -0.27 0.00 -1.36 0.00 0.00 55.97 53.51 3ipk s LYS 526 Cb 0.00 -2.10 -0.10 0.00 -1.68 0.00 0.00 37.83 33.95 3ipk s LYS 526 CO 0.00 0.26 0.96 -0.06 -0.76 0.00 0.00 175.35 175.76 3ipk s PHE 527 N 0.12 3.68 -0.12 3.18 0.08 -1.26 -0.45 117.98 123.21 3ipk s PHE 527 Ca -0.11 1.78 -0.01 0.00 0.12 0.00 0.00 56.93 58.72 3ipk s PHE 527 Cb -0.15 -2.98 -0.02 0.00 -0.57 0.00 0.00 43.02 39.30 3ipk s PHE 527 CO 0.06 0.11 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.70 3ipk s LEU 528 N -1.96 3.05 0.48 -0.37 1.43 -0.69 -0.58 118.68 120.04 3ipk s LEU 528 Ca 0.49 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 53.19 3ipk s LEU 528 Cb -0.21 -1.70 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 3ipk s LEU 528 CO 0.26 0.23 1.41 -0.54 0.23 0.00 0.00 176.35 177.95 3ipk s LYS 529 N -0.03 3.50 0.34 1.70 1.02 0.06 -4.48 119.74 121.85 3ipk s LYS 529 Ca -0.01 2.37 0.03 0.00 0.02 0.00 0.00 55.97 58.39 3ipk s LYS 529 Cb -0.14 -2.53 0.62 0.00 -0.52 0.00 0.00 37.83 35.27 3ipk s LYS 529 CO 0.03 -0.95 1.93 0.00 -0.92 0.00 0.00 175.35 175.44 3ipk h ALA 530 N 2.04 1.44 0.00 5.17 0.00 -1.87 -1.39 119.26 124.65 3ipk h ALA 530 Ca -0.51 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 3ipk h ALA 530 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3ipk h ALA 530 CO 0.60 0.42 -0.41 0.66 0.00 0.00 0.00 179.25 180.53 3ipk h SER 531 N 0.65 0.00 -0.07 0.00 4.64 -1.94 -0.54 113.55 116.28 3ipk h SER 531 Ca 0.16 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.25 3ipk h SER 531 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3ipk h SER 531 CO -0.01 0.41 -0.82 0.00 -0.87 0.00 0.00 176.83 175.54 3ipk h ALA 532 N 1.59 0.32 -0.52 5.18 0.00 -1.61 -1.56 119.26 122.66 3ipk h ALA 532 Ca -0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 3ipk h ALA 532 Cb 0.74 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3ipk h ALA 532 CO 0.05 0.70 -0.11 0.28 0.00 0.00 0.00 179.25 180.17 3ipk h VAL 533 N 0.49 1.27 -0.41 0.00 2.07 -1.03 -1.22 116.25 117.41 3ipk h VAL 533 Ca -0.06 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 3ipk h VAL 533 Cb 1.45 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 3ipk h VAL 533 CO 0.16 0.44 0.17 -0.78 0.02 0.00 0.00 177.57 177.59 3ipk h ASP 534 N 0.87 0.56 -0.33 0.57 3.58 -1.04 -1.52 116.42 119.11 3ipk h ASP 534 Ca 0.14 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 3ipk h ASP 534 Cb 0.66 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 3ipk h ASP 534 CO 0.05 0.57 0.03 -0.78 -2.88 0.00 0.00 179.24 176.23 3ipk h ASP 535 N 0.52 0.62 -0.39 2.28 3.58 -1.10 -2.09 116.42 119.84 3ipk h ASP 535 Ca 0.14 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 3ipk h ASP 535 Cb 0.17 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3ipk h ASP 535 CO -0.01 0.67 -0.03 0.00 -2.88 0.00 0.00 179.24 176.98 3ipk h ALA 536 N 1.41 0.53 -0.01 -0.78 0.00 -0.86 -2.77 119.26 116.78 3ipk h ALA 536 Ca 0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3ipk h ALA 536 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ipk h ALA 536 CO 0.01 0.33 -0.20 0.74 0.00 0.00 0.00 179.25 180.13 3ipk h PHE 537 N 0.52 0.01 -0.00 0.00 0.04 -0.99 -2.61 116.94 113.91 3ipk h PHE 537 Ca 0.11 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3ipk h PHE 537 Cb 0.52 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3ipk h PHE 537 CO 0.04 0.21 -0.03 -1.13 -0.60 0.00 0.00 178.31 176.79 3ipk n SER 538 N -4.30 0.18 -4.70 2.17 3.41 -0.81 -3.32 113.62 106.24 3ipk n SER 538 Ca -0.02 -0.48 -0.31 0.00 -0.26 0.00 0.00 58.87 57.79 3ipk n SER 538 Cb 0.26 -0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 63.97 3ipk n SER 538 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ipk s LYS 539 N -2.41 2.10 2.52 4.33 1.02 -0.98 -4.56 119.74 121.76 3ipk s LYS 539 Ca 0.33 -2.28 0.00 0.00 0.02 0.00 0.00 55.97 54.04 3ipk s LYS 539 Cb 0.21 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 3ipk s LYS 539 CO 0.44 -0.23 0.00 0.45 -0.92 0.00 0.00 175.35 175.09 3ipk n SER 540 N -1.14 0.00 0.30 2.83 2.88 -1.26 -2.93 113.62 114.30 3ipk n SER 540 Ca -0.13 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.59 3ipk n SER 540 Cb 0.67 0.00 0.96 0.00 -0.75 0.00 0.00 64.21 65.09 3ipk n SER 540 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3ipk h THR 541 N 0.00 0.24 -0.04 2.46 1.35 -1.92 -2.68 112.91 112.32 3ipk h THR 541 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3ipk h THR 541 Cb 0.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3ipk h THR 541 CO 0.00 0.03 0.00 -1.54 -0.25 0.00 0.00 175.52 173.76 3ipk n SER 542 N -3.36 2.68 -0.07 5.36 3.41 -1.14 -4.53 113.62 115.98 3ipk n SER 542 Ca -0.02 -1.89 -0.10 0.00 -0.26 0.00 0.00 58.87 56.60 3ipk n SER 542 Cb 0.15 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 3ipk n SER 542 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ipk h LYS 543 N 4.17 0.34 -0.55 4.33 3.64 -1.35 -0.81 116.57 126.34 3ipk h LYS 543 Ca 0.00 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3ipk h LYS 543 Cb 0.89 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.56 3ipk h LYS 543 CO 0.00 0.26 0.12 0.00 -2.27 0.00 0.00 179.45 177.56 3ipk h ALA 544 N 1.07 0.64 -0.39 5.00 0.00 -1.79 0.50 119.26 124.29 3ipk h ALA 544 Ca 0.09 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3ipk h ALA 544 Cb -0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ipk h ALA 544 CO -0.02 -0.30 -0.20 0.87 0.00 0.00 0.00 179.25 179.61 3ipk h LYS 545 N 0.26 0.82 -0.75 0.00 1.79 -1.82 -3.15 116.57 113.72 3ipk h LYS 545 Ca 0.28 -0.36 0.05 0.00 -2.18 0.00 0.00 60.65 58.44 3ipk h LYS 545 Cb 0.40 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 3ipk h LYS 545 CO -0.36 0.99 0.46 -0.92 -1.08 0.00 0.00 179.45 178.55 3ipk h TYR 546 N 0.62 0.85 0.00 -1.35 3.20 -0.21 0.99 116.97 121.07 3ipk h TYR 546 Ca 0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3ipk h TYR 546 Cb 0.75 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3ipk h TYR 546 CO 0.06 0.46 0.00 -0.25 -1.64 0.00 0.00 178.16 176.78 3ipk n ASP 547 N -4.67 0.00 -1.16 -2.11 8.00 0.08 -1.15 116.55 115.55 3ipk n ASP 547 Ca 0.09 0.29 0.07 0.00 0.71 0.00 0.00 54.79 55.95 3ipk n ASP 547 Cb 0.13 -0.39 0.29 0.00 -0.02 0.00 0.00 41.12 41.13 3ipk n ASP 547 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ipk n GLN 548 N -1.39 3.27 -3.23 -1.24 6.02 0.26 -4.94 117.38 116.13 3ipk n GLN 548 Ca 0.05 -2.94 -0.23 0.00 -0.01 0.00 0.00 57.00 53.87 3ipk n GLN 548 Cb 0.12 -1.95 0.05 0.00 1.02 0.00 0.00 30.24 29.49 3ipk n GLN 548 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3ipk n LYS 549 N -0.33 -6.02 -4.68 -1.09 5.02 -0.30 -4.94 118.16 105.82 3ipk n LYS 549 Ca 0.24 0.88 -0.25 0.00 -2.02 0.00 0.00 58.31 57.16 3ipk n LYS 549 Cb 0.99 -5.81 -0.16 0.00 -0.02 0.00 0.00 35.03 30.03 3ipk n LYS 549 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ipk s ILE 550 N -3.23 1.25 -0.53 -0.18 1.01 -0.69 -1.74 121.20 117.08 3ipk s ILE 550 Ca 0.41 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 3ipk s ILE 550 Cb -0.18 -1.12 0.11 0.00 0.01 0.00 0.00 42.46 41.29 3ipk s ILE 550 CO 0.50 0.38 0.51 -0.76 0.00 0.00 0.00 174.94 175.57 3ipk s LEU 551 N 0.49 5.95 -0.83 2.97 1.43 0.23 -2.61 118.68 126.30 3ipk s LEU 551 Ca -0.12 -1.63 -0.16 0.00 -1.03 0.00 0.00 54.13 51.19 3ipk s LEU 551 Cb -0.15 -2.22 0.18 0.00 0.03 0.00 0.00 46.19 44.03 3ipk s LEU 551 CO 0.04 -0.85 0.86 -1.58 0.23 0.00 0.00 176.35 175.05 3ipk s GLN 552 N 1.77 3.53 0.27 1.70 2.00 -1.26 -2.44 119.66 125.23 3ipk s GLN 552 Ca 0.05 -2.11 -0.01 0.00 -2.00 0.00 0.00 55.36 51.29 3ipk s GLN 552 Cb -0.28 -4.56 0.49 0.00 0.80 0.00 0.00 33.01 29.46 3ipk s GLN 552 CO 0.04 -1.47 1.83 -0.07 -0.50 0.00 0.00 175.29 175.13 3ipk h LEU 553 N 8.85 0.85 0.00 3.68 4.07 -1.96 -1.50 115.31 129.30 3ipk h LEU 553 Ca 0.07 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3ipk h LEU 553 Cb 1.04 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.66 3ipk h LEU 553 CO 0.91 0.46 0.00 -0.90 -1.08 0.00 0.00 178.44 177.83 3ipk n ASP 554 N -4.66 0.00 -0.12 -0.43 5.75 -1.26 -2.05 116.55 113.79 3ipk n ASP 554 Ca 0.17 -0.46 0.07 0.00 -0.01 0.00 0.00 54.79 54.55 3ipk n ASP 554 Cb 0.32 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.27 3ipk n ASP 554 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ipk n ASP 555 N -1.08 0.96 -4.67 -1.12 8.00 -0.58 -4.99 116.55 113.08 3ipk n ASP 555 Ca 0.14 -0.98 -0.42 0.00 0.71 0.00 0.00 54.79 54.24 3ipk n ASP 555 Cb 0.10 0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 41.98 3ipk n ASP 555 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ipk s LEU 556 N -2.39 4.34 -0.50 0.64 0.20 -0.87 -2.88 118.68 117.22 3ipk s LEU 556 Ca 0.08 2.33 -0.23 0.00 0.69 0.00 0.00 54.13 57.00 3ipk s LEU 556 Cb 0.11 -3.54 0.04 0.00 -0.43 0.00 0.00 46.19 42.37 3ipk s LEU 556 CO 0.49 -0.92 0.85 -0.62 -0.29 0.00 0.00 176.35 175.86 3ipk s ASP 557 N 3.23 6.36 0.00 3.68 2.15 -1.26 -4.72 116.67 126.11 3ipk s ASP 557 Ca 0.75 -0.29 0.16 0.00 0.43 0.00 0.00 52.55 53.60 3ipk s ASP 557 Cb -0.36 -2.40 0.89 0.00 -0.30 0.00 0.00 42.92 40.75 3ipk s ASP 557 CO 0.31 -1.07 1.43 2.30 -0.17 0.00 0.00 175.17 177.97 3ipk n ILE 558 N 6.13 0.29 -0.31 4.11 -5.35 -0.54 -3.33 119.36 120.35 3ipk n ILE 558 Ca 0.01 0.07 0.15 0.00 -0.27 0.00 0.00 62.75 62.71 3ipk n ILE 558 Cb 0.48 -0.81 0.38 0.00 -1.74 0.00 0.00 39.64 37.95 3ipk n ILE 558 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3ipk h THR 559 N 0.00 0.72 -0.26 7.28 2.02 -1.88 -0.93 112.91 119.86 3ipk h THR 559 Ca 0.00 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 3ipk h THR 559 Cb 0.08 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 3ipk h THR 559 CO 0.00 0.12 0.02 0.59 0.37 0.00 0.00 175.52 176.62 3ipk n ASN 560 N -4.65 3.04 0.00 4.18 3.02 -1.21 -3.42 115.26 116.22 3ipk n ASN 560 Ca 0.21 -2.42 0.00 0.00 -0.03 0.00 0.00 54.58 52.35 3ipk n ASN 560 Cb 0.59 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 3ipk n ASN 560 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ipk n LEU 561 N 0.24 1.49 -1.25 3.41 4.77 -0.35 -4.70 117.00 120.60 3ipk n LEU 561 Ca 0.13 -1.49 0.09 0.00 -0.03 0.00 0.00 56.01 54.71 3ipk n LEU 561 Cb 0.68 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 42.06 3ipk n LEU 561 CO 0.15 0.37 0.76 -0.62 -1.33 0.00 0.00 177.39 176.71 3ipk n GLU 562 N -0.34 3.25 -3.85 3.23 1.02 -1.22 -4.91 120.64 117.81 3ipk n GLU 562 Ca 0.00 -2.65 -0.28 0.00 -0.02 0.00 0.00 57.16 54.21 3ipk n GLU 562 Cb 0.26 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 3ipk n GLU 562 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3ipk s GLN 563 N -1.58 3.48 0.46 3.49 1.11 -1.26 -5.00 119.66 120.36 3ipk s GLN 563 Ca 0.44 -0.45 0.13 0.00 0.01 0.00 0.00 55.36 55.49 3ipk s GLN 563 Cb 0.27 -2.94 1.08 0.00 -1.01 0.00 0.00 33.01 30.40 3ipk s GLN 563 CO 0.23 0.50 2.06 0.66 0.01 0.00 0.00 175.29 178.75 3ipk h SER 564 N 2.37 0.26 0.13 5.90 4.64 -1.99 -1.06 113.55 123.80 3ipk h SER 564 Ca -0.47 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3ipk h SER 564 Cb 1.18 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3ipk h SER 564 CO 0.70 0.18 0.00 -0.46 -0.87 0.00 0.00 176.83 176.38 3ipk n ASN 565 N -4.48 0.00 0.05 4.97 0.23 -1.26 -2.49 115.26 112.28 3ipk n ASN 565 Ca 0.04 -0.49 0.12 0.00 -0.53 0.00 0.00 54.58 53.71 3ipk n ASN 565 Cb 0.21 -0.09 0.06 0.00 -2.08 0.00 0.00 39.78 37.88 3ipk n ASN 565 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3ipk n ASP 566 N -1.09 0.67 -4.70 0.53 8.00 -0.40 -4.92 116.55 114.64 3ipk n ASP 566 Ca 0.15 0.02 -0.42 0.00 0.71 0.00 0.00 54.79 55.25 3ipk n ASP 566 Cb 0.11 0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 3ipk n ASP 566 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ipk s VAL 567 N -3.23 4.05 0.32 2.53 1.01 -1.04 -0.76 120.40 123.28 3ipk s VAL 567 Ca 0.03 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.49 3ipk s VAL 567 Cb 0.13 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3ipk s VAL 567 CO 0.77 0.04 0.47 0.00 0.00 0.00 0.00 175.10 176.39 3ipk s ALA 568 N 1.79 4.00 -1.04 5.51 0.00 0.25 -4.73 121.76 127.55 3ipk s ALA 568 Ca 0.59 -1.26 0.29 0.00 0.00 0.00 0.00 51.96 51.58 3ipk s ALA 568 Cb -0.28 -1.81 1.24 0.00 0.00 0.00 0.00 23.12 22.27 3ipk s ALA 568 CO 0.26 0.01 1.93 -1.13 0.00 0.00 0.00 175.76 176.82 3ipk n SER 569 N -1.65 0.02 -3.57 0.00 3.41 -1.26 -4.42 113.62 106.14 3ipk n SER 569 Ca -0.03 0.42 -0.02 0.00 -0.26 0.00 0.00 58.87 58.98 3ipk n SER 569 Cb 0.57 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3ipk n SER 569 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ipk s SER 570 N -2.96 -0.08 0.41 4.04 1.04 -1.26 -5.07 113.70 109.81 3ipk s SER 570 Ca 0.15 -0.48 -0.27 0.00 0.48 0.00 0.00 55.95 55.84 3ipk s SER 570 Cb 0.19 0.44 -0.10 0.00 0.10 0.00 0.00 66.02 66.66 3ipk s SER 570 CO 0.53 -0.84 1.45 -0.32 0.98 0.00 0.00 173.24 175.03 3ipk s MET 571 N -2.66 3.91 -0.01 4.02 1.75 -1.26 -4.76 119.30 120.28 3ipk s MET 571 Ca 0.17 2.48 0.01 0.00 -1.25 0.00 0.00 55.69 57.10 3ipk s MET 571 Cb -0.01 -2.81 0.00 0.00 2.84 0.00 0.00 34.83 34.85 3ipk s MET 571 CO 0.03 -0.66 -0.05 -1.21 -0.65 0.00 0.00 175.02 172.48 3ipk s GLU 572 N -2.26 0.51 0.14 4.11 2.02 -1.26 -5.08 118.70 116.88 3ipk s GLU 572 Ca 0.57 -0.15 -0.12 0.00 0.02 0.00 0.00 54.97 55.29 3ipk s GLU 572 Cb -0.45 -0.52 -0.07 0.00 0.10 0.00 0.00 34.13 33.20 3ipk s GLU 572 CO 0.59 0.06 0.50 -0.51 0.02 0.00 0.00 175.26 175.91 3ipk s LEU 573 N 0.19 4.30 0.03 1.80 1.43 -1.26 -3.98 118.68 121.19 3ipk s LEU 573 Ca -0.02 0.94 -0.09 0.00 -1.03 0.00 0.00 54.13 53.93 3ipk s LEU 573 Cb -0.06 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.89 3ipk s LEU 573 CO -0.00 0.08 0.19 -0.47 0.23 0.00 0.00 176.35 176.38 3ipk s TYR 574 N -1.53 0.05 -5.00 0.29 5.04 -0.72 -4.81 117.35 110.68 3ipk s TYR 574 Ca 0.38 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 3ipk s TYR 574 Cb -0.14 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.14 3ipk s TYR 574 CO 0.19 -0.40 0.00 0.41 -1.34 0.00 0.00 175.55 174.41 3ipk n GLY 575 N 0.83 -0.63 2.62 8.97 0.00 -1.26 -0.93 105.19 114.78 3ipk n GLY 575 Ca -0.20 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 3ipk n GLY 575 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ipk n ASN 576 N 1.17 7.12 -3.88 1.61 6.94 -0.98 -4.73 115.26 122.51 3ipk n ASN 576 Ca 0.00 -3.18 -0.16 0.00 -0.02 0.00 0.00 54.58 51.22 3ipk n ASN 576 Cb 0.00 -1.38 -0.09 0.00 -2.36 0.00 0.00 39.78 35.95 3ipk n ASN 576 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3ipk s PHE 577 N -0.99 1.45 0.00 -2.53 -0.71 -1.19 -3.97 117.98 110.04 3ipk s PHE 577 Ca 0.48 -1.47 0.00 0.00 -1.04 0.00 0.00 56.93 54.90 3ipk s PHE 577 Cb 0.15 -0.68 0.00 0.00 -1.21 0.00 0.00 43.02 41.29 3ipk s PHE 577 CO -0.06 -0.69 0.00 0.41 -1.34 0.00 0.00 175.22 173.54 3ipk n GLY 578 N -0.45 3.39 0.00 1.99 0.00 -1.26 -1.39 105.19 107.47 3ipk n GLY 578 Ca 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.98 3ipk n GLY 578 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ipk n ASP 579 N 5.68 0.00 -0.91 1.61 5.75 -1.26 -1.75 116.55 125.67 3ipk n ASP 579 Ca 0.00 -0.37 0.05 0.00 -0.01 0.00 0.00 54.79 54.46 3ipk n ASP 579 Cb 0.00 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.21 3ipk n ASP 579 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ipk n LYS 580 N -0.99 0.86 0.31 0.11 5.02 -0.49 -4.82 118.16 118.17 3ipk n LYS 580 Ca 0.09 -2.62 0.19 0.00 -2.02 0.00 0.00 58.31 53.95 3ipk n LYS 580 Cb 0.04 -0.92 1.04 0.00 -0.02 0.00 0.00 35.03 35.17 3ipk n LYS 580 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ipk h ALA 581 N 0.87 1.15 -0.64 7.82 0.00 -1.40 -1.99 119.26 125.07 3ipk h ALA 581 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ipk h ALA 581 Cb 1.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3ipk h ALA 581 CO 0.04 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3ipk n GLY 582 N -0.96 2.51 3.93 0.00 0.00 -1.26 -4.81 105.19 104.61 3ipk n GLY 582 Ca -0.02 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 3ipk n GLY 582 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ipk s TRP 583 N -1.02 3.04 0.25 1.61 0.52 -0.75 -5.08 118.94 117.51 3ipk s TRP 583 Ca 0.43 0.43 0.09 0.00 0.02 0.00 0.00 56.10 57.07 3ipk s TRP 583 Cb 0.23 -2.93 -0.04 0.00 -1.15 0.00 0.00 33.47 29.58 3ipk s TRP 583 CO 0.30 -1.07 0.03 -1.12 0.02 0.00 0.00 176.95 175.11 3ipk s SER 584 N -4.42 4.75 0.08 2.95 0.01 -0.71 -4.91 113.70 111.45 3ipk s SER 584 Ca 0.57 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 3ipk s SER 584 Cb -0.11 -0.97 -0.04 0.00 0.21 0.00 0.00 66.02 65.12 3ipk s SER 584 CO 0.43 0.01 0.01 0.42 0.41 0.00 0.00 173.24 174.52 3ipk s THR 585 N -2.21 0.18 -1.82 1.44 -4.23 -1.26 -0.60 115.64 107.13 3ipk s THR 585 Ca 0.31 -1.80 0.29 0.00 -1.18 0.00 0.00 61.69 59.31 3ipk s THR 585 Cb -0.07 -1.67 0.54 0.00 1.34 0.00 0.00 72.50 72.64 3ipk s THR 585 CO 0.21 -0.81 1.90 0.35 -0.54 0.00 0.00 174.62 175.73 3ipk n THR 586 N 0.03 0.00 0.04 3.99 -2.24 -1.02 -3.92 114.28 111.16 3ipk n THR 586 Ca -0.11 -0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.39 3ipk n THR 586 Cb 0.62 -0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.64 3ipk n THR 586 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3ipk h VAL 587 N 0.73 1.47 -3.16 2.28 2.07 -1.96 -3.48 116.25 114.20 3ipk h VAL 587 Ca 0.00 -2.40 -0.11 0.00 0.82 0.00 0.00 66.70 65.00 3ipk h VAL 587 Cb 0.32 2.99 -0.19 0.00 -1.52 0.00 0.00 31.29 32.89 3ipk h VAL 587 CO 0.00 0.69 -0.30 -0.55 0.02 0.00 0.00 177.57 177.43 3ipk s SER 588 N -6.95 -0.15 -0.36 0.57 0.15 -1.25 -5.07 113.70 100.64 3ipk s SER 588 Ca -0.13 -0.02 0.13 0.00 0.70 0.00 0.00 55.95 56.63 3ipk s SER 588 Cb 0.02 0.31 0.45 0.00 -1.71 0.00 0.00 66.02 65.08 3ipk s SER 588 CO 0.84 -0.48 1.02 -0.46 1.20 0.00 0.00 173.24 175.36 3ipk n ASN 589 N 1.12 2.73 0.00 5.45 2.04 -1.26 -4.25 115.26 121.09 3ipk n ASN 589 Ca -0.21 -3.10 0.00 0.00 -0.44 0.00 0.00 54.58 50.83 3ipk n ASN 589 Cb 0.57 -0.50 0.00 0.00 -2.53 0.00 0.00 39.78 37.32 3ipk n ASN 589 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 3ipk n ASN 590 N -0.24 0.00 -3.52 0.53 6.94 -1.26 -5.14 115.26 112.57 3ipk n ASN 590 Ca 0.21 -0.75 -0.09 0.00 -0.02 0.00 0.00 54.58 53.93 3ipk n ASN 590 Cb 0.76 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.15 3ipk n ASN 590 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3ipk s SER 591 N 0.00 -0.36 0.30 0.53 1.04 -1.26 -5.15 113.70 108.80 3ipk s SER 591 Ca 0.00 0.07 -0.20 0.00 0.48 0.00 0.00 55.95 56.30 3ipk s SER 591 Cb 0.00 0.36 -0.09 0.00 0.10 0.00 0.00 66.02 66.39 3ipk s SER 591 CO 0.00 -0.55 0.80 0.00 0.98 0.00 0.00 173.24 174.47 3ipk s GLN 592 N -2.74 4.25 0.08 4.02 -2.07 -1.26 -4.78 119.66 117.16 3ipk s GLN 592 Ca 0.04 0.94 0.07 0.00 -1.82 0.00 0.00 55.36 54.59 3ipk s GLN 592 Cb -0.01 -2.64 -0.03 0.00 -1.09 0.00 0.00 33.01 29.24 3ipk s GLN 592 CO -0.07 0.24 -0.17 0.14 -1.32 0.00 0.00 175.29 174.11 3ipk s VAL 593 N -1.77 1.39 0.01 3.63 -7.23 -1.26 -5.01 120.40 110.16 3ipk s VAL 593 Ca 0.50 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 59.31 3ipk s VAL 593 Cb -0.14 -1.29 -0.01 0.00 0.56 0.00 0.00 36.38 35.50 3ipk s VAL 593 CO 0.19 -0.12 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.25 3ipk s LYS 594 N -1.75 0.49 0.00 4.82 1.02 -1.26 -2.32 119.74 120.73 3ipk s LYS 594 Ca 0.02 -0.37 -0.12 0.00 0.02 0.00 0.00 55.97 55.52 3ipk s LYS 594 Cb -0.10 -0.41 0.01 0.00 -0.52 0.00 0.00 37.83 36.81 3ipk s LYS 594 CO 0.03 0.10 0.24 1.67 -0.92 0.00 0.00 175.35 176.47 3ipk s TRP 595 N -0.50 -0.07 -0.00 3.18 -2.14 -0.11 -0.86 118.94 118.44 3ipk s TRP 595 Ca -0.01 0.04 -0.06 0.00 2.66 0.00 0.00 56.10 58.73 3ipk s TRP 595 Cb -0.05 0.03 -0.05 0.00 -3.10 0.00 0.00 33.47 30.31 3ipk s TRP 595 CO 0.00 -0.37 0.25 0.20 -2.66 0.00 0.00 176.95 174.37 3ipk s GLY 596 N -1.49 2.24 0.08 3.67 0.00 0.23 -1.76 107.32 110.29 3ipk s GLY 596 Ca -0.12 -0.60 0.09 0.00 0.00 0.00 0.00 44.72 44.09 3ipk s GLY 596 CO 0.02 -0.42 -0.23 -0.56 0.00 0.00 0.00 173.10 171.91 3ipk s SER 597 N -1.69 3.50 0.04 1.64 0.01 -1.26 -0.52 113.70 115.42 3ipk s SER 597 Ca 0.27 -0.58 -0.03 0.00 1.31 0.00 0.00 55.95 56.92 3ipk s SER 597 Cb -0.13 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.68 3ipk s SER 597 CO 0.16 0.22 0.03 0.68 0.41 0.00 0.00 173.24 174.75 3ipk s VAL 598 N -0.96 0.15 -0.18 3.43 -7.23 -0.64 -1.71 120.40 113.25 3ipk s VAL 598 Ca 0.14 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.09 3ipk s VAL 598 Cb -0.10 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.97 3ipk s VAL 598 CO 0.05 -0.66 -0.08 -0.22 -0.31 0.00 0.00 175.10 173.88 3ipk s LEU 599 N -2.11 2.83 0.11 1.32 2.96 0.41 -1.02 118.68 123.17 3ipk s LEU 599 Ca -0.05 -0.35 0.05 0.00 -0.22 0.00 0.00 54.13 53.56 3ipk s LEU 599 Cb -0.02 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3ipk s LEU 599 CO -0.05 0.07 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.16 3ipk s LEU 600 N 0.93 2.38 0.46 -0.68 1.43 0.49 -1.67 118.68 122.02 3ipk s LEU 600 Ca -0.01 -0.78 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 3ipk s LEU 600 Cb -0.15 -0.49 0.00 0.00 0.03 0.00 0.00 46.19 45.58 3ipk s LEU 600 CO 0.00 -0.16 0.43 -1.61 0.23 0.00 0.00 176.35 175.24 3ipk s GLU 601 N -2.55 2.46 0.30 1.70 2.02 -1.26 -0.13 118.70 121.24 3ipk s GLU 601 Ca 0.06 -1.64 -0.30 0.00 0.02 0.00 0.00 54.97 53.12 3ipk s GLU 601 Cb -0.05 -2.35 -0.12 0.00 0.10 0.00 0.00 34.13 31.70 3ipk s GLU 601 CO 0.02 -0.35 1.41 0.54 0.02 0.00 0.00 175.26 176.90 3ipk n ARG 602 N -1.67 2.25 0.00 1.61 1.74 -1.26 -1.38 116.66 117.94 3ipk n ARG 602 Ca 0.04 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 3ipk n ARG 602 Cb 0.62 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 3ipk n ARG 602 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ipk n GLY 603 N 1.55 2.95 3.89 -0.13 0.00 0.34 -4.91 105.19 108.87 3ipk n GLY 603 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3ipk n GLY 603 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ipk s GLN 604 N -0.31 3.57 0.27 1.61 -0.21 -0.48 -4.80 119.66 119.31 3ipk s GLN 604 Ca 0.00 0.44 -0.04 0.00 0.02 0.00 0.00 55.36 55.78 3ipk s GLN 604 Cb 0.00 -2.25 -0.02 0.00 1.00 0.00 0.00 33.01 31.75 3ipk s GLN 604 CO 0.00 -0.36 0.36 -1.54 -2.12 0.00 0.00 175.29 171.63 3ipk s SER 605 N -4.13 0.43 -0.02 5.90 1.04 -1.26 -1.97 113.70 113.70 3ipk s SER 605 Ca 0.51 -1.30 -0.00 0.00 0.48 0.00 0.00 55.95 55.63 3ipk s SER 605 Cb -0.11 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.58 3ipk s SER 605 CO 0.49 -1.09 0.03 0.00 0.98 0.00 0.00 173.24 173.64 3ipk s ALA 606 N -3.72 0.06 -0.27 5.32 0.00 -0.61 -2.77 121.76 119.77 3ipk s ALA 606 Ca 0.31 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 3ipk s ALA 606 Cb 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.95 3ipk s ALA 606 CO 0.15 -0.09 0.03 0.99 0.00 0.00 0.00 175.76 176.84 3ipk s THR 607 N 0.87 3.60 -0.15 0.00 2.01 0.72 -0.88 115.64 121.82 3ipk s THR 607 Ca -0.07 -0.74 -0.14 0.00 0.31 0.00 0.00 61.69 61.05 3ipk s THR 607 Cb -0.10 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 3ipk s THR 607 CO -0.02 0.16 0.31 0.00 -0.69 0.00 0.00 174.62 174.38 3ipk s ALA 608 N 1.45 3.60 -0.24 7.40 0.00 0.14 -2.04 121.76 132.08 3ipk s ALA 608 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3ipk s ALA 608 Cb -0.17 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.58 3ipk s ALA 608 CO -0.00 0.13 -0.08 0.99 0.00 0.00 0.00 175.76 176.80 3ipk s THR 609 N 0.33 2.82 -0.20 0.00 2.01 -0.18 -0.44 115.64 119.98 3ipk s THR 609 Ca 0.18 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.14 3ipk s THR 609 Cb -0.13 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3ipk s THR 609 CO 0.05 0.26 0.06 -0.31 -0.69 0.00 0.00 174.62 173.99 3ipk s TYR 610 N 1.33 3.20 0.27 4.92 2.02 0.20 -1.50 117.35 127.79 3ipk s TYR 610 Ca 0.01 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.68 3ipk s TYR 610 Cb -0.16 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.27 3ipk s TYR 610 CO -0.05 0.02 0.08 0.25 -1.57 0.00 0.00 175.55 174.27 3ipk n THR 611 N 3.89 0.00 -3.73 -0.71 -2.24 -0.27 -1.61 114.28 109.61 3ipk n THR 611 Ca -0.16 -1.51 -0.25 0.00 -2.27 0.00 0.00 64.05 59.85 3ipk n THR 611 Cb 0.52 0.50 0.05 0.00 -2.10 0.00 0.00 70.33 69.30 3ipk n THR 611 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ipk n ASN 612 N -1.62 -4.24 -4.74 3.42 5.15 -1.25 -1.26 115.26 110.72 3ipk n ASN 612 Ca -0.05 -0.70 -0.40 0.00 -0.60 0.00 0.00 54.58 52.82 3ipk n ASN 612 Cb 0.39 -4.38 -0.05 0.00 -0.53 0.00 0.00 39.78 35.21 3ipk n ASN 612 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ipk s LEU 613 N -7.07 4.54 -0.00 1.20 1.43 -1.25 -4.05 118.68 113.47 3ipk s LEU 613 Ca 0.44 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 3ipk s LEU 613 Cb -0.21 -3.51 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 3ipk s LEU 613 CO 0.79 0.03 0.01 0.00 0.23 0.00 0.00 176.35 177.41 3ipk n GLN 614 N 2.35 2.96 -0.10 1.70 6.02 -1.26 -4.81 117.38 124.25 3ipk n GLN 614 Ca -0.00 -0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3ipk n GLN 614 Cb 0.49 -0.80 0.04 0.00 1.02 0.00 0.00 30.24 30.99 3ipk n GLN 614 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3ipk n ASN 615 N -1.30 1.46 -4.61 1.08 3.02 -1.26 -5.06 115.26 108.59 3ipk n ASN 615 Ca -0.00 -2.16 -0.34 0.00 -0.03 0.00 0.00 54.58 52.05 3ipk n ASN 615 Cb 0.01 -0.16 -0.11 0.00 -0.61 0.00 0.00 39.78 38.91 3ipk n ASN 615 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ipk s SER 616 N -1.40 4.80 0.09 6.41 0.01 -1.26 -4.72 113.70 117.63 3ipk s SER 616 Ca 0.10 0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.29 3ipk s SER 616 Cb 0.09 -1.24 -0.01 0.00 0.21 0.00 0.00 66.02 65.07 3ipk s SER 616 CO 0.01 0.36 0.17 -0.31 0.41 0.00 0.00 173.24 173.88 3ipk s TYR 617 N -0.85 0.21 -0.13 2.43 1.51 0.47 -1.50 117.35 119.50 3ipk s TYR 617 Ca 0.13 -0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 3ipk s TYR 617 Cb -0.11 -0.10 0.04 0.00 -0.11 0.00 0.00 41.96 41.68 3ipk s TYR 617 CO 0.02 -0.54 -0.03 -0.47 -1.11 0.00 0.00 175.55 173.43 3ipk s TYR 618 N -3.88 1.28 -1.43 2.71 5.04 0.02 0.03 117.35 121.14 3ipk s TYR 618 Ca 0.06 -0.73 -0.07 0.00 -2.44 0.00 0.00 57.07 53.89 3ipk s TYR 618 Cb 0.05 -1.12 0.04 0.00 0.35 0.00 0.00 41.96 41.28 3ipk s TYR 618 CO -0.10 -0.52 0.59 0.09 -1.34 0.00 0.00 175.55 174.27 3ipk n ASN 619 N 4.99 -4.98 0.00 4.32 3.02 0.11 -0.98 115.26 121.73 3ipk n ASN 619 Ca -0.10 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.08 3ipk n ASN 619 Cb 0.49 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 3ipk n ASN 619 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ipk n GLY 620 N -1.39 2.64 3.74 7.41 0.00 -1.26 -3.97 105.19 112.37 3ipk n GLY 620 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3ipk n GLY 620 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ipk s LYS 621 N -0.00 4.35 0.29 1.61 2.20 -0.15 -4.34 119.74 123.70 3ipk s LYS 621 Ca 0.00 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 3ipk s LYS 621 Cb 0.00 -3.39 -0.11 0.00 -1.51 0.00 0.00 37.83 32.82 3ipk s LYS 621 CO 0.00 0.24 1.57 0.21 -0.36 0.00 0.00 175.35 177.01 3ipk s LYS 622 N 0.25 4.13 -0.29 4.03 2.20 -1.26 -0.80 119.74 128.01 3ipk s LYS 622 Ca 0.32 2.55 -0.11 0.00 -0.36 0.00 0.00 55.97 58.37 3ipk s LYS 622 Cb -0.17 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 3ipk s LYS 622 CO 0.16 -0.61 0.19 0.42 -0.36 0.00 0.00 175.35 175.15 3ipk s ILE 623 N -0.07 5.19 -0.12 5.43 1.01 -0.56 -3.76 121.20 128.32 3ipk s ILE 623 Ca 0.62 0.05 0.20 0.00 0.00 0.00 0.00 60.65 61.53 3ipk s ILE 623 Cb -0.47 -3.51 -0.29 0.00 0.01 0.00 0.00 42.46 38.20 3ipk s ILE 623 CO 0.48 0.21 0.27 -1.20 0.00 0.00 0.00 174.94 174.71 3ipk n SER 624 N 5.05 0.02 -3.80 3.58 7.64 -0.56 -4.67 113.62 120.88 3ipk n SER 624 Ca -0.14 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.62 3ipk n SER 624 Cb 0.51 1.49 -0.09 0.00 -1.01 0.00 0.00 64.21 65.12 3ipk n SER 624 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3ipk s LYS 625 N -3.00 0.66 -0.03 1.43 2.20 -1.17 -3.82 119.74 116.02 3ipk s LYS 625 Ca -0.09 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 3ipk s LYS 625 Cb 0.10 0.29 0.02 0.00 -1.51 0.00 0.00 37.83 36.73 3ipk s LYS 625 CO 0.87 -0.19 -0.01 0.42 -0.36 0.00 0.00 175.35 176.08 3ipk s ILE 626 N -1.79 0.22 -0.20 5.43 1.01 -0.63 -0.06 121.20 125.17 3ipk s ILE 626 Ca -0.11 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 3ipk s ILE 626 Cb -0.04 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 42.14 3ipk s ILE 626 CO 0.01 0.14 -0.10 -0.69 0.00 0.00 0.00 174.94 174.30 3ipk s VAL 627 N 0.85 2.94 -0.09 2.92 1.01 -0.49 -0.63 120.40 126.90 3ipk s VAL 627 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3ipk s VAL 627 Cb -0.12 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.98 3ipk s VAL 627 CO -0.01 0.47 -0.08 -0.47 0.00 0.00 0.00 175.10 175.01 3ipk s TYR 628 N 1.27 1.37 -0.21 5.22 6.14 0.41 -1.44 117.35 130.11 3ipk s TYR 628 Ca 0.03 -0.61 -0.06 0.00 0.64 0.00 0.00 57.07 57.07 3ipk s TYR 628 Cb -0.14 -1.12 -0.03 0.00 0.42 0.00 0.00 41.96 41.09 3ipk s TYR 628 CO -0.05 -0.42 0.02 0.21 0.64 0.00 0.00 175.55 175.95 3ipk s LYS 629 N 1.42 3.65 -0.22 4.97 2.20 0.11 0.25 119.74 132.12 3ipk s LYS 629 Ca -0.01 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 55.03 3ipk s LYS 629 Cb -0.13 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 3ipk s LYS 629 CO -0.05 -0.01 0.06 0.71 -0.36 0.00 0.00 175.35 175.70 3ipk s TYR 630 N 1.08 3.12 -0.04 4.03 1.51 -0.06 -1.60 117.35 125.39 3ipk s TYR 630 Ca 0.03 -0.26 0.05 0.00 -1.01 0.00 0.00 57.07 55.88 3ipk s TYR 630 Cb -0.14 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.53 3ipk s TYR 630 CO 0.02 -0.18 -0.20 0.99 -1.11 0.00 0.00 175.55 175.08 3ipk s THR 631 N 1.14 1.61 -0.29 -0.71 2.01 -0.34 -1.57 115.64 117.49 3ipk s THR 631 Ca 0.04 -0.83 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 3ipk s THR 631 Cb -0.14 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.00 3ipk s THR 631 CO 0.03 0.46 1.28 -0.69 -0.69 0.00 0.00 174.62 175.00 3ipk s VAL 632 N -0.10 4.19 0.06 3.82 1.01 -0.83 0.04 120.40 128.58 3ipk s VAL 632 Ca -0.02 1.35 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 3ipk s VAL 632 Cb -0.11 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 3ipk s VAL 632 CO 0.02 -0.46 1.93 -0.62 0.00 0.00 0.00 175.10 175.98 3ipk s ASP 633 N 2.63 6.44 0.60 3.32 -1.08 -0.49 -0.51 116.67 127.57 3ipk s ASP 633 Ca 0.55 2.71 0.30 0.00 -0.52 0.00 0.00 52.55 55.59 3ipk s ASP 633 Cb -0.16 -2.54 1.82 0.00 -1.46 0.00 0.00 42.92 40.57 3ipk s ASP 633 CO 0.22 -1.04 2.22 -0.65 0.52 0.00 0.00 175.17 176.43 3ipk h PRO 634 N 10.03 0.00 0.00 4.34 0.11 -1.91 -0.71 132.00 143.86 3ipk h PRO 634 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ipk h PRO 634 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ipk h PRO 634 CO 0.94 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.36 3ipk n LYS 635 N -3.77 0.50 -1.72 1.05 5.02 -1.26 -4.83 118.16 113.15 3ipk n LYS 635 Ca -0.02 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 3ipk n LYS 635 Cb 0.15 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3ipk n LYS 635 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ipk n SER 636 N -1.20 2.96 -1.16 4.39 7.64 -0.28 -4.91 113.62 121.06 3ipk n SER 636 Ca 0.14 1.19 0.09 0.00 1.01 0.00 0.00 58.87 61.30 3ipk n SER 636 Cb 0.17 -1.52 0.28 0.00 -1.01 0.00 0.00 64.21 62.13 3ipk n SER 636 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ipk n LYS 637 N 0.41 3.18 -1.85 1.43 5.02 -1.05 -4.94 118.16 120.36 3ipk n LYS 637 Ca 0.04 -2.59 -0.39 0.00 -2.02 0.00 0.00 58.31 53.36 3ipk n LYS 637 Cb 0.37 -1.64 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3ipk n LYS 637 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3ipk s PHE 638 N -1.56 2.42 0.48 2.13 -0.12 -0.54 -4.29 117.98 116.50 3ipk s PHE 638 Ca 0.41 1.36 -0.22 0.00 -0.05 0.00 0.00 56.93 58.43 3ipk s PHE 638 Cb 0.25 -3.79 -0.07 0.00 -0.63 0.00 0.00 43.02 38.78 3ipk s PHE 638 CO 0.22 -2.74 1.13 -0.65 -0.05 0.00 0.00 175.22 173.13 3ipk s GLN 639 N -2.70 3.69 0.00 1.99 -0.21 -1.26 -4.81 119.66 116.36 3ipk s GLN 639 Ca 0.67 1.67 0.00 0.00 0.02 0.00 0.00 55.36 57.72 3ipk s GLN 639 Cb -0.40 -2.29 0.00 0.00 1.00 0.00 0.00 33.01 31.32 3ipk s GLN 639 CO 0.49 -0.58 0.00 0.41 -2.12 0.00 0.00 175.29 173.49 3ipk n GLY 640 N 0.31 -0.25 0.14 3.09 0.00 -1.26 -4.79 105.19 102.42 3ipk n GLY 640 Ca 0.08 -1.86 0.03 0.00 0.00 0.00 0.00 46.02 44.28 3ipk n GLY 640 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ipk n GLN 641 N -0.34 2.53 -4.31 1.61 3.00 -1.26 -5.06 117.38 113.55 3ipk n GLN 641 Ca 0.00 -0.45 -0.26 0.00 -0.01 0.00 0.00 57.00 56.28 3ipk n GLN 641 Cb 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 30.24 29.18 3ipk n GLN 641 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3ipk s LYS 642 N -1.15 2.09 -0.01 -1.09 -0.14 -1.26 -4.18 119.74 113.99 3ipk s LYS 642 Ca 0.06 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.32 3ipk s LYS 642 Cb 0.06 -2.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.10 3ipk s LYS 642 CO 0.19 0.41 0.02 0.08 -0.76 0.00 0.00 175.35 175.28 3ipk s VAL 643 N -1.93 -0.03 -0.16 3.17 1.01 0.81 -4.57 120.40 118.70 3ipk s VAL 643 Ca 0.27 0.14 -0.14 0.00 0.00 0.00 0.00 61.98 62.24 3ipk s VAL 643 Cb -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.19 3ipk s VAL 643 CO 0.16 0.06 0.31 0.86 0.00 0.00 0.00 175.10 176.50 3ipk s TRP 644 N 0.70 3.45 -0.18 5.22 -0.00 0.12 -0.38 118.94 127.87 3ipk s TRP 644 Ca -0.06 0.61 0.00 0.00 -0.00 0.00 0.00 56.10 56.66 3ipk s TRP 644 Cb -0.08 -2.37 0.01 0.00 -0.00 0.00 0.00 33.47 31.02 3ipk s TRP 644 CO -0.02 0.21 -0.17 -1.17 -0.00 0.00 0.00 176.95 175.79 3ipk s LEU 645 N 0.57 2.29 -0.34 5.86 2.96 -0.19 -0.81 118.68 129.02 3ipk s LEU 645 Ca 0.17 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 3ipk s LEU 645 Cb -0.13 -1.53 0.04 0.00 0.50 0.00 0.00 46.19 45.07 3ipk s LEU 645 CO 0.05 0.02 0.11 -0.83 -1.32 0.00 0.00 176.35 174.38 3ipk s GLY 646 N 1.18 1.85 -0.37 7.98 0.00 0.26 -1.63 107.32 116.59 3ipk s GLY 646 Ca 0.02 -1.74 -0.13 0.00 0.00 0.00 0.00 44.72 42.87 3ipk s GLY 646 CO -0.08 0.77 0.25 -0.42 0.00 0.00 0.00 173.10 173.63 3ipk s ILE 647 N 1.41 5.12 0.38 0.90 -1.09 0.33 -1.24 121.20 127.01 3ipk s ILE 647 Ca -0.01 -0.50 -0.26 0.00 -2.23 0.00 0.00 60.65 57.64 3ipk s ILE 647 Cb -0.19 -3.75 -0.09 0.00 -1.58 0.00 0.00 42.46 36.85 3ipk s ILE 647 CO 0.03 -0.16 1.19 -0.36 -1.23 0.00 0.00 174.94 174.41 3ipk s PHE 648 N 1.67 3.11 0.44 3.97 0.08 -1.20 -0.60 117.98 125.45 3ipk s PHE 648 Ca 0.05 1.54 0.13 0.00 0.12 0.00 0.00 56.93 58.77 3ipk s PHE 648 Cb -0.18 -3.44 0.96 0.00 -0.57 0.00 0.00 43.02 39.79 3ipk s PHE 648 CO 0.09 -1.35 2.00 1.79 -0.10 0.00 0.00 175.22 177.65 3ipk h THR 649 N 2.52 1.12 -3.21 0.64 1.35 -1.35 -3.35 112.91 110.64 3ipk h THR 649 Ca -0.49 -0.55 -0.61 0.00 -0.55 0.00 0.00 66.41 64.21 3ipk h THR 649 Cb 1.23 1.19 -0.12 0.00 -1.73 0.00 0.00 68.15 68.71 3ipk h THR 649 CO 0.63 0.17 0.53 -0.62 -0.25 0.00 0.00 175.52 175.98 3ipk s ASP 650 N -6.95 6.34 0.55 5.36 -1.08 -1.26 -4.48 116.67 115.14 3ipk s ASP 650 Ca -0.05 -0.38 0.27 0.00 -0.52 0.00 0.00 52.55 51.87 3ipk s ASP 650 Cb 0.16 -2.43 1.45 0.00 -1.46 0.00 0.00 42.92 40.64 3ipk s ASP 650 CO 0.71 -1.20 1.97 1.55 0.52 0.00 0.00 175.17 178.72 3ipk h PRO 651 N 9.29 0.00 0.00 4.34 0.13 -1.81 0.39 132.00 144.34 3ipk h PRO 651 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ipk h PRO 651 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ipk h PRO 651 CO 1.08 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.10 3ipk n THR 652 N -4.20 0.89 0.92 1.56 -2.24 -1.26 -1.78 114.28 108.17 3ipk n THR 652 Ca 0.10 0.22 0.13 0.00 -2.27 0.00 0.00 64.05 62.23 3ipk n THR 652 Cb 0.64 -1.04 0.37 0.00 -2.10 0.00 0.00 70.33 68.19 3ipk n THR 652 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ipk n LEU 653 N -1.84 0.39 0.00 3.22 4.77 0.13 -4.73 117.00 118.93 3ipk n LEU 653 Ca 0.03 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3ipk n LEU 653 Cb 0.21 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3ipk n LEU 653 CO 0.17 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3ipk n GLY 654 N 1.47 1.18 3.34 -0.72 0.00 -0.73 -4.56 105.19 105.17 3ipk n GLY 654 Ca 0.06 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3ipk n GLY 654 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ipk s VAL 655 N 0.00 0.05 -0.17 1.61 0.11 -0.41 -3.25 120.40 118.34 3ipk s VAL 655 Ca 0.00 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 3ipk s VAL 655 Cb 0.00 -1.05 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 3ipk s VAL 655 CO 0.00 -0.23 -0.16 0.12 -3.33 0.00 0.00 175.10 171.50 3ipk s PHE 656 N -3.10 2.80 -0.09 1.54 5.36 -0.38 -2.22 117.98 121.89 3ipk s PHE 656 Ca -0.02 -1.28 0.03 0.00 -0.96 0.00 0.00 56.93 54.71 3ipk s PHE 656 Cb 0.00 -1.93 -0.01 0.00 -0.34 0.00 0.00 43.02 40.74 3ipk s PHE 656 CO -0.07 -0.62 -0.18 0.00 -1.46 0.00 0.00 175.22 172.89 3ipk s ALA 657 N 1.10 2.44 -0.13 11.12 0.00 -0.17 -0.57 121.76 135.55 3ipk s ALA 657 Ca -0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 3ipk s ALA 657 Cb -0.14 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.04 3ipk s ALA 657 CO -0.05 0.35 0.34 0.45 0.00 0.00 0.00 175.76 176.85 3ipk s SER 658 N 0.02 -0.35 -0.06 0.00 0.15 0.01 -0.68 113.70 112.79 3ipk s SER 658 Ca -0.06 0.68 0.08 0.00 0.70 0.00 0.00 55.95 57.35 3ipk s SER 658 Cb -0.15 0.69 0.13 0.00 -1.71 0.00 0.00 66.02 64.98 3ipk s SER 658 CO 0.05 -0.12 1.01 0.00 1.20 0.00 0.00 173.24 175.38 3ipk n ALA 659 N 2.91 2.01 -2.10 5.45 0.00 -0.29 0.11 120.51 128.60 3ipk n ALA 659 Ca -0.13 -1.67 -0.42 0.00 0.00 0.00 0.00 53.44 51.22 3ipk n ALA 659 Cb 0.58 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 3ipk n ALA 659 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3ipk s TYR 660 N -1.46 2.63 -0.19 0.00 5.04 -1.24 -4.81 117.35 117.31 3ipk s TYR 660 Ca 0.14 0.59 0.14 0.00 -2.44 0.00 0.00 57.07 55.50 3ipk s TYR 660 Cb 0.12 -3.79 0.40 0.00 0.35 0.00 0.00 41.96 39.05 3ipk s TYR 660 CO 0.01 -3.06 1.26 0.25 -1.34 0.00 0.00 175.55 172.67 3ipk n THR 661 N 4.76 2.17 0.00 4.34 -2.24 -1.26 -1.47 114.28 120.57 3ipk n THR 661 Ca 0.14 -2.72 0.00 0.00 -2.27 0.00 0.00 64.05 59.21 3ipk n THR 661 Cb 0.42 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3ipk n THR 661 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ipk n GLY 662 N -1.17 0.85 3.10 3.38 0.00 -1.26 -4.83 105.19 105.26 3ipk n GLY 662 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 3ipk n GLY 662 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ipk s GLN 663 N -0.76 0.65 0.62 1.61 -1.52 -1.26 -5.01 119.66 113.98 3ipk s GLN 663 Ca 0.00 -1.01 -0.12 0.00 -1.95 0.00 0.00 55.36 52.27 3ipk s GLN 663 Cb 0.00 -0.22 -0.03 0.00 -0.22 0.00 0.00 33.01 32.54 3ipk s GLN 663 CO 0.00 0.01 1.04 0.14 -0.25 0.00 0.00 175.29 176.23 3ipk s VAL 664 N -2.43 4.37 -0.01 1.09 -7.23 -1.26 -4.82 120.40 110.11 3ipk s VAL 664 Ca -0.00 0.86 0.03 0.00 -1.81 0.00 0.00 61.98 61.06 3ipk s VAL 664 Cb -0.03 -3.64 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 3ipk s VAL 664 CO -0.02 -0.91 -0.08 -1.61 -0.31 0.00 0.00 175.10 172.16 3ipk s GLU 665 N -4.83 0.71 0.31 4.82 2.02 0.11 -4.75 118.70 117.08 3ipk s GLU 665 Ca 0.58 -0.30 -0.05 0.00 0.02 0.00 0.00 54.97 55.21 3ipk s GLU 665 Cb -0.12 -0.68 -0.05 0.00 0.10 0.00 0.00 34.13 33.37 3ipk s GLU 665 CO 0.49 0.18 0.58 0.15 0.02 0.00 0.00 175.26 176.67 3ipk s LYS 666 N -0.16 3.63 -1.38 1.61 1.02 -1.26 -0.16 119.74 123.03 3ipk s LYS 666 Ca 0.03 0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.00 3ipk s LYS 666 Cb -0.04 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.68 3ipk s LYS 666 CO -0.00 0.18 0.36 0.09 -0.92 0.00 0.00 175.35 175.06 3ipk n ASN 667 N -1.04 -4.83 -4.90 2.83 3.02 -1.26 -4.96 115.26 104.12 3ipk n ASN 667 Ca -0.01 -0.18 -0.20 0.00 -0.03 0.00 0.00 54.58 54.16 3ipk n ASN 667 Cb 0.54 -3.98 -0.02 0.00 -0.61 0.00 0.00 39.78 35.70 3ipk n ASN 667 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3ipk s THR 668 N -2.96 2.95 -0.07 3.41 -1.32 -1.26 -4.87 115.64 111.52 3ipk s THR 668 Ca 0.23 -1.28 -0.31 0.00 -1.21 0.00 0.00 61.69 59.12 3ipk s THR 668 Cb -0.11 -3.05 0.12 0.00 -1.51 0.00 0.00 72.50 67.94 3ipk s THR 668 CO 0.28 -0.04 1.01 -0.94 -2.21 0.00 0.00 174.62 172.72 3ipk s SER 669 N -4.14 -0.28 -0.14 8.08 1.04 -1.26 -1.03 113.70 115.97 3ipk s SER 669 Ca 0.48 -0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.85 3ipk s SER 669 Cb -0.05 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.43 3ipk s SER 669 CO 0.29 -0.48 0.29 -0.51 0.98 0.00 0.00 173.24 173.81 3ipk s ILE 670 N -2.86 -0.43 -0.02 -1.02 2.07 -0.43 -1.47 121.20 117.04 3ipk s ILE 670 Ca 0.07 0.25 0.05 0.00 -1.41 0.00 0.00 60.65 59.61 3ipk s ILE 670 Cb -0.01 -0.48 -0.01 0.00 0.13 0.00 0.00 42.46 42.09 3ipk s ILE 670 CO -0.07 0.10 -0.16 -0.36 -1.91 0.00 0.00 174.94 172.54 3ipk s PHE 671 N 2.36 1.49 -0.13 3.50 0.08 -1.26 -1.53 117.98 122.49 3ipk s PHE 671 Ca -0.00 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.77 3ipk s PHE 671 Cb -0.12 -0.97 0.01 0.00 -0.57 0.00 0.00 43.02 41.38 3ipk s PHE 671 CO -0.09 -0.05 -0.19 0.42 -0.10 0.00 0.00 175.22 175.21 3ipk s ILE 672 N -0.31 1.85 0.18 0.64 -1.09 -0.22 -1.40 121.20 120.85 3ipk s ILE 672 Ca 0.05 -0.85 -0.27 0.00 -2.23 0.00 0.00 60.65 57.35 3ipk s ILE 672 Cb -0.07 -1.65 -0.08 0.00 -1.58 0.00 0.00 42.46 39.08 3ipk s ILE 672 CO -0.00 0.51 0.83 -0.75 -1.23 0.00 0.00 174.94 174.29 3ipk s LYS 673 N 0.88 4.65 -0.13 2.79 2.20 0.11 -1.64 119.74 128.61 3ipk s LYS 673 Ca -0.07 1.26 0.01 0.00 -0.36 0.00 0.00 55.97 56.81 3ipk s LYS 673 Cb -0.15 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3ipk s LYS 673 CO -0.02 0.55 -0.16 -0.80 -0.36 0.00 0.00 175.35 174.55 3ipk s ASN 674 N -1.11 2.65 -0.11 1.43 0.01 0.27 -1.19 114.94 116.88 3ipk s ASN 674 Ca 0.37 -0.48 0.02 0.00 -0.71 0.00 0.00 52.86 52.06 3ipk s ASN 674 Cb -0.24 -1.19 0.01 0.00 0.41 0.00 0.00 41.25 40.25 3ipk s ASN 674 CO 0.28 0.00 -0.15 -1.61 -1.51 0.00 0.00 177.10 174.11 3ipk s GLU 675 N 1.12 2.23 0.02 -0.60 2.02 -0.63 -1.32 118.70 121.54 3ipk s GLU 675 Ca -0.03 -0.56 -0.05 0.00 0.02 0.00 0.00 54.97 54.34 3ipk s GLU 675 Cb -0.14 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 32.18 3ipk s GLU 675 CO -0.05 -0.07 0.09 -0.59 0.02 0.00 0.00 175.26 174.67 3ipk s PHE 676 N 0.99 0.14 -0.01 1.61 -0.12 -0.27 0.06 117.98 120.38 3ipk s PHE 676 Ca -0.06 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 3ipk s PHE 676 Cb -0.15 -0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.15 3ipk s PHE 676 CO -0.02 -0.30 0.01 0.99 -0.05 0.00 0.00 175.22 175.85 3ipk s THR 677 N -1.81 0.05 -0.02 -4.49 2.01 -0.52 -2.15 115.64 108.72 3ipk s THR 677 Ca -0.12 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 3ipk s THR 677 Cb -0.06 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 3ipk s THR 677 CO -0.01 0.07 0.11 -0.36 -0.69 0.00 0.00 174.62 173.74 3ipk s PHE 678 N 0.57 3.38 0.08 4.92 0.40 -1.26 -1.40 117.98 124.67 3ipk s PHE 678 Ca -0.05 0.27 0.08 0.00 -0.60 0.00 0.00 56.93 56.64 3ipk s PHE 678 Cb -0.08 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 3ipk s PHE 678 CO -0.01 0.59 -0.22 0.71 0.70 0.00 0.00 175.22 176.98 3ipk s TYR 679 N -1.21 1.92 0.46 0.36 1.51 0.91 0.28 117.35 121.57 3ipk s TYR 679 Ca 0.23 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 55.85 3ipk s TYR 679 Cb -0.12 -1.09 0.10 0.00 -0.11 0.00 0.00 41.96 40.74 3ipk s TYR 679 CO 0.14 0.18 0.62 -0.40 -1.11 0.00 0.00 175.55 174.98 3ipk n ASP 680 N 1.40 0.37 0.29 2.29 5.68 -0.02 -1.50 116.55 125.06 3ipk n ASP 680 Ca -0.18 -1.42 0.15 0.00 -0.50 0.00 0.00 54.79 52.84 3ipk n ASP 680 Cb 0.53 -0.45 0.90 0.00 -1.14 0.00 0.00 41.12 40.97 3ipk n ASP 680 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3ipk h GLU 681 N 0.00 0.00 -0.33 0.11 4.81 -1.89 -1.14 114.58 116.13 3ipk h GLU 681 Ca -0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3ipk h GLU 681 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3ipk h GLU 681 CO 0.18 0.03 0.00 -0.25 -0.73 0.00 0.00 179.01 178.23 3ipk n ASP 682 N -3.72 1.94 -0.13 1.04 8.00 -1.26 -4.89 116.55 117.53 3ipk n ASP 682 Ca -0.03 -1.94 -0.02 0.00 0.71 0.00 0.00 54.79 53.52 3ipk n ASP 682 Cb 0.12 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 3ipk n ASP 682 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ipk n GLY 683 N 1.10 0.51 3.82 0.44 0.00 -0.43 -5.02 105.19 105.61 3ipk n GLY 683 Ca 0.13 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3ipk n GLY 683 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ipk s LYS 684 N -1.14 4.00 0.35 1.61 -0.14 -1.26 -4.81 119.74 118.36 3ipk s LYS 684 Ca 0.00 0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 54.76 3ipk s LYS 684 Cb 0.00 -3.25 -0.11 0.00 -1.68 0.00 0.00 37.83 32.79 3ipk s LYS 684 CO 0.00 0.61 1.48 -2.14 -0.76 0.00 0.00 175.35 174.54 3ipk s PRO 685 N -0.84 4.15 -0.22 -1.68 0.02 -1.26 -0.85 135.00 134.33 3ipk s PRO 685 Ca 0.24 2.51 -0.22 0.00 0.02 0.00 0.00 61.00 63.56 3ipk s PRO 685 Cb -0.17 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 3ipk s PRO 685 CO 0.13 -0.49 0.68 0.42 -0.33 0.00 0.00 177.00 177.41 3ipk s ILE 686 N -0.91 4.96 -0.84 2.83 1.01 0.14 -4.83 121.20 123.57 3ipk s ILE 686 Ca 0.54 1.28 -0.19 0.00 0.00 0.00 0.00 60.65 62.29 3ipk s ILE 686 Cb -0.46 -3.99 0.13 0.00 0.01 0.00 0.00 42.46 38.15 3ipk s ILE 686 CO 0.59 0.05 1.02 0.21 0.00 0.00 0.00 174.94 176.80 3ipk s ASN 687 N 1.29 6.53 0.36 3.58 2.47 -1.26 -3.89 114.94 124.02 3ipk s ASN 687 Ca 0.30 -1.91 -0.27 0.00 0.42 0.00 0.00 52.86 51.40 3ipk s ASN 687 Cb -0.16 -2.37 -0.12 0.00 -1.45 0.00 0.00 41.25 37.16 3ipk s ASN 687 CO 0.10 -1.07 1.28 0.49 -3.72 0.00 0.00 177.10 174.18 3ipk n PHE 688 N 6.39 2.21 -3.87 0.43 3.72 -1.00 -4.61 117.46 120.73 3ipk n PHE 688 Ca 0.15 0.54 -0.29 0.00 -0.05 0.00 0.00 57.45 57.80 3ipk n PHE 688 Cb 0.48 -2.40 -0.13 0.00 -0.94 0.00 0.00 39.48 36.48 3ipk n PHE 688 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ipk s ASP 689 N -0.38 4.16 -1.26 4.37 2.15 -1.26 -0.27 116.67 124.17 3ipk s ASP 689 Ca 0.57 -3.08 -0.01 0.00 0.43 0.00 0.00 52.55 50.45 3ipk s ASP 689 Cb -0.55 -1.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 3ipk s ASP 689 CO 0.61 -0.21 0.92 0.59 -0.17 0.00 0.00 175.17 176.91 3ipk n ASN 690 N 2.99 -2.31 -4.80 -0.34 3.02 -0.75 -4.98 115.26 108.10 3ipk n ASN 690 Ca 0.09 -0.68 -0.34 0.00 -0.03 0.00 0.00 54.58 53.63 3ipk n ASN 690 Cb 0.34 -4.73 -0.02 0.00 -0.61 0.00 0.00 39.78 34.76 3ipk n ASN 690 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ipk s ALA 691 N -3.45 2.81 -0.32 5.41 0.00 0.58 -4.69 121.76 122.10 3ipk s ALA 691 Ca 0.09 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 3ipk s ALA 691 Cb -0.04 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3ipk s ALA 691 CO 0.76 -0.52 0.20 -0.51 0.00 0.00 0.00 175.76 175.69 3ipk s LEU 692 N -3.88 4.31 -0.23 0.00 1.43 -1.26 -0.88 118.68 118.17 3ipk s LEU 692 Ca 0.66 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 3ipk s LEU 692 Cb -0.17 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 3ipk s LEU 692 CO 0.27 -0.20 0.18 -0.22 0.23 0.00 0.00 176.35 176.61 3ipk s LEU 693 N 1.69 4.14 -0.01 1.79 2.96 -0.21 -4.59 118.68 124.44 3ipk s LEU 693 Ca 0.06 0.18 -0.27 0.00 -0.22 0.00 0.00 54.13 53.87 3ipk s LEU 693 Cb -0.17 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 3ipk s LEU 693 CO 0.09 0.07 0.87 -0.55 -1.32 0.00 0.00 176.35 175.52 3ipk s SER 694 N 0.92 7.24 -0.44 3.68 0.15 0.11 -0.85 113.70 124.51 3ipk s SER 694 Ca 0.09 1.50 0.04 0.00 0.70 0.00 0.00 55.95 58.27 3ipk s SER 694 Cb -0.13 -2.51 0.12 0.00 -1.71 0.00 0.00 66.02 61.79 3ipk s SER 694 CO 0.04 -0.18 0.18 -0.69 1.20 0.00 0.00 173.24 173.79 3ipk s VAL 695 N 0.80 2.30 0.53 4.45 1.01 -0.99 -3.74 120.40 124.76 3ipk s VAL 695 Ca 0.46 -2.84 0.03 0.00 0.00 0.00 0.00 61.98 59.63 3ipk s VAL 695 Cb -0.20 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3ipk s VAL 695 CO 0.25 -0.74 0.21 0.00 0.00 0.00 0.00 175.10 174.82 3ipk s ALA 696 N 0.25 4.29 -1.44 5.51 0.00 -1.26 -1.29 121.76 127.80 3ipk s ALA 696 Ca 0.15 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 3ipk s ALA 696 Cb -0.23 -0.37 0.05 0.00 0.00 0.00 0.00 23.12 22.56 3ipk s ALA 696 CO -0.04 -0.24 0.79 0.45 0.00 0.00 0.00 175.76 176.72 3ipk n SER 697 N -1.53 -2.77 -4.23 0.00 2.88 -1.03 -4.87 113.62 102.06 3ipk n SER 697 Ca -0.10 -0.84 -0.43 0.00 -1.33 0.00 0.00 58.87 56.17 3ipk n SER 697 Cb 0.66 -3.77 0.00 0.00 -0.75 0.00 0.00 64.21 60.35 3ipk n SER 697 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3ipk n LEU 698 N -4.48 5.76 -4.77 2.46 4.77 -0.56 -4.99 117.00 115.20 3ipk n LEU 698 Ca -0.13 -4.43 -0.41 0.00 -0.03 0.00 0.00 56.01 51.01 3ipk n LEU 698 Cb 0.60 -1.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.09 3ipk n LEU 698 CO 0.74 0.89 1.11 0.20 -1.33 0.00 0.00 177.39 178.99 3ipk s ASN 699 N 2.40 6.50 -0.19 -1.43 -0.87 -1.26 -4.56 114.94 115.52 3ipk s ASN 699 Ca 0.44 2.90 -0.03 0.00 -1.57 0.00 0.00 52.86 54.59 3ipk s ASN 699 Cb 0.03 -2.65 0.06 0.00 -0.02 0.00 0.00 41.25 38.67 3ipk s ASN 699 CO 0.01 -0.77 0.05 -0.60 -2.57 0.00 0.00 177.10 173.22 3ipk s ARG 700 N -1.59 0.47 0.57 -0.60 3.52 -1.26 -0.73 118.95 119.33 3ipk s ARG 700 Ca 0.54 -0.32 0.09 0.00 -0.13 0.00 0.00 55.73 55.91 3ipk s ARG 700 Cb -0.44 -2.02 0.08 0.00 -1.56 0.00 0.00 34.95 31.00 3ipk s ARG 700 CO 0.56 -0.66 0.74 -1.21 -0.81 0.00 0.00 175.30 173.92 3ipk s GLU 701 N 1.95 2.32 0.64 5.12 8.01 0.47 -1.73 118.70 135.46 3ipk s GLU 701 Ca 0.00 -1.67 0.36 0.00 0.01 0.00 0.00 54.97 53.67 3ipk s GLU 701 Cb -0.17 -2.59 2.06 0.00 -4.31 0.00 0.00 34.13 29.12 3ipk s GLU 701 CO -0.09 -0.81 2.25 1.12 0.01 0.00 0.00 175.26 177.74 3ipk h HIS 702 N 0.26 0.00 0.00 1.61 2.07 -1.97 -2.89 115.15 114.23 3ipk h HIS 702 Ca -0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 3ipk h HIS 702 Cb 1.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 3ipk h HIS 702 CO 0.50 0.00 0.00 0.27 -3.07 0.00 0.00 177.93 175.63 3ipk n ASN 703 N -3.38 0.88 -3.87 3.10 6.94 -1.26 -4.54 115.26 113.13 3ipk n ASN 703 Ca -0.02 -1.27 -0.12 0.00 -0.02 0.00 0.00 54.58 53.15 3ipk n ASN 703 Cb 0.15 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.43 3ipk n ASN 703 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3ipk s SER 704 N -0.27 0.04 -0.11 0.53 0.15 -1.09 -1.98 113.70 110.96 3ipk s SER 704 Ca 0.00 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 3ipk s SER 704 Cb 0.00 -0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 3ipk s SER 704 CO 0.00 -0.00 -0.10 -0.63 1.20 0.00 0.00 173.24 173.71 3ipk s ILE 705 N 0.03 1.18 -0.15 6.45 1.01 -0.28 -0.40 121.20 129.04 3ipk s ILE 705 Ca -0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 3ipk s ILE 705 Cb -0.01 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 3ipk s ILE 705 CO -0.00 0.39 0.21 -0.70 0.00 0.00 0.00 174.94 174.84 3ipk s GLU 706 N 1.42 4.00 0.17 2.79 2.12 0.10 -1.03 118.70 128.27 3ipk s GLU 706 Ca 0.00 -0.03 -0.11 0.00 0.36 0.00 0.00 54.97 55.19 3ipk s GLU 706 Cb -0.13 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.91 3ipk s GLU 706 CO -0.06 0.43 0.35 0.00 -0.54 0.00 0.00 175.26 175.45 3ipk s MET 707 N -0.08 1.22 -0.01 4.30 0.23 -0.12 -4.56 119.30 120.28 3ipk s MET 707 Ca 0.14 -1.09 0.08 0.00 -1.03 0.00 0.00 55.69 53.79 3ipk s MET 707 Cb -0.12 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.57 3ipk s MET 707 CO 0.03 -0.47 -0.25 0.00 -2.03 0.00 0.00 175.02 172.30 3ipk s ALA 708 N -3.94 2.05 0.35 3.16 0.00 -0.73 -1.43 121.76 121.21 3ipk s ALA 708 Ca 0.15 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 3ipk s ALA 708 Cb 0.02 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.67 3ipk s ALA 708 CO -0.01 0.50 0.61 0.36 0.00 0.00 0.00 175.76 177.22 3ipk n LYS 709 N 2.40 0.88 -4.03 0.00 2.85 0.94 -0.34 118.16 120.86 3ipk n LYS 709 Ca -0.16 -2.26 -0.40 0.00 -1.05 0.00 0.00 58.31 54.44 3ipk n LYS 709 Cb 0.52 2.52 0.00 0.00 -0.65 0.00 0.00 35.03 37.42 3ipk n LYS 709 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3ipk n ASP 710 N -1.55 -3.32 -4.57 -5.58 8.00 -1.26 -0.56 116.55 107.70 3ipk n ASP 710 Ca -0.05 -1.22 -0.24 0.00 0.71 0.00 0.00 54.79 53.99 3ipk n ASP 710 Cb 0.54 -2.10 -0.09 0.00 -0.02 0.00 0.00 41.12 39.45 3ipk n ASP 710 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ipk s TYR 711 N -3.68 2.55 0.40 1.24 -0.85 -1.26 -3.81 117.35 111.94 3ipk s TYR 711 Ca 0.38 -0.26 -0.03 0.00 -0.52 0.00 0.00 57.07 56.64 3ipk s TYR 711 Cb -0.19 -1.15 -0.04 0.00 0.38 0.00 0.00 41.96 40.96 3ipk s TYR 711 CO 0.95 0.62 0.66 -1.54 -1.52 0.00 0.00 175.55 174.72 3ipk s SER 712 N -3.41 6.32 0.00 -0.18 1.04 -0.29 -4.96 113.70 112.22 3ipk s SER 712 Ca 0.29 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.44 3ipk s SER 712 Cb -0.07 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.90 3ipk s SER 712 CO 0.17 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3ipk n GLY 713 N -1.82 -1.95 3.16 7.32 0.00 -1.26 -4.85 105.19 105.79 3ipk n GLY 713 Ca -0.02 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 3ipk n GLY 713 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ipk s LYS 714 N 0.00 2.29 0.21 1.61 2.20 -0.28 -4.92 119.74 120.86 3ipk s LYS 714 Ca 0.00 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.61 3ipk s LYS 714 Cb 0.00 -1.85 -0.09 0.00 -1.51 0.00 0.00 37.83 34.38 3ipk s LYS 714 CO 0.00 0.19 1.33 0.12 -0.36 0.00 0.00 175.35 176.63 3ipk s PHE 715 N 0.26 3.22 -0.19 4.03 5.36 -1.26 -0.31 117.98 129.09 3ipk s PHE 715 Ca -0.11 1.20 0.01 0.00 -0.96 0.00 0.00 56.93 57.06 3ipk s PHE 715 Cb -0.15 -3.64 0.03 0.00 -0.34 0.00 0.00 43.02 38.93 3ipk s PHE 715 CO 0.05 -1.99 -0.13 0.08 -1.46 0.00 0.00 175.22 171.77 3ipk s VAL 716 N 0.05 1.74 0.40 3.12 1.01 0.13 -4.90 120.40 121.94 3ipk s VAL 716 Ca 0.57 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 3ipk s VAL 716 Cb -0.37 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 3ipk s VAL 716 CO 0.39 0.29 1.02 -0.75 0.00 0.00 0.00 175.10 176.06 3ipk s LYS 717 N 1.38 4.20 -0.23 2.72 2.20 -1.26 -2.20 119.74 126.55 3ipk s LYS 717 Ca 0.01 1.43 -0.10 0.00 -0.36 0.00 0.00 55.97 56.95 3ipk s LYS 717 Cb -0.15 -2.51 -0.05 0.00 -1.51 0.00 0.00 37.83 33.62 3ipk s LYS 717 CO -0.09 -0.09 0.13 0.42 -0.36 0.00 0.00 175.35 175.36 3ipk s ILE 718 N -1.73 5.16 0.21 5.43 1.01 -1.26 -0.70 121.20 129.33 3ipk s ILE 718 Ca 0.58 0.11 -0.32 0.00 0.00 0.00 0.00 60.65 61.02 3ipk s ILE 718 Cb -0.20 -3.40 -0.13 0.00 0.01 0.00 0.00 42.46 38.75 3ipk s ILE 718 CO 0.25 0.36 1.61 -0.24 0.00 0.00 0.00 174.94 176.92 3ipk n SER 719 N 4.22 3.50 0.00 3.58 2.88 0.72 -1.82 113.62 126.70 3ipk n SER 719 Ca -0.15 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 3ipk n SER 719 Cb 0.52 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 3ipk n SER 719 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ipk n GLY 720 N 3.18 2.08 3.79 0.46 0.00 -1.26 -0.40 105.19 113.03 3ipk n GLY 720 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3ipk n GLY 720 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ipk s SER 721 N -3.18 6.00 0.30 1.61 0.15 -0.76 -4.91 113.70 112.91 3ipk s SER 721 Ca 0.00 2.04 0.26 0.00 0.70 0.00 0.00 55.95 58.95 3ipk s SER 721 Cb 0.00 -2.57 0.90 0.00 -1.71 0.00 0.00 66.02 62.64 3ipk s SER 721 CO 0.00 -1.02 1.76 0.77 1.20 0.00 0.00 173.24 175.95 3ipk h SER 722 N 1.30 0.00 -3.35 5.45 4.64 -1.32 -3.44 113.55 116.82 3ipk h SER 722 Ca -0.50 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.25 3ipk h SER 722 Cb 1.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.27 3ipk h SER 722 CO 0.58 0.00 0.21 -0.63 -0.87 0.00 0.00 176.83 176.12 3ipk s ILE 723 N -3.27 4.98 0.13 0.95 -1.09 -1.25 -3.50 121.20 118.14 3ipk s ILE 723 Ca 0.07 1.50 0.01 0.00 -2.23 0.00 0.00 60.65 59.99 3ipk s ILE 723 Cb 0.10 -4.07 -0.00 0.00 -1.58 0.00 0.00 42.46 36.90 3ipk s ILE 723 CO 0.52 0.15 0.14 0.61 -1.23 0.00 0.00 174.94 175.12 3ipk n GLY 724 N 3.33 3.24 3.36 6.18 0.00 -0.40 -4.65 105.19 116.25 3ipk n GLY 724 Ca 0.01 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 3ipk n GLY 724 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ipk s GLU 725 N -2.41 2.70 -0.16 1.61 2.12 -1.26 -1.77 118.70 119.52 3ipk s GLU 725 Ca 0.13 -0.79 -0.08 0.00 0.36 0.00 0.00 54.97 54.59 3ipk s GLU 725 Cb 0.00 -2.32 0.06 0.00 0.26 0.00 0.00 34.13 32.13 3ipk s GLU 725 CO 0.09 0.43 0.38 0.21 -0.54 0.00 0.00 175.26 175.83 3ipk s LYS 726 N -0.25 0.34 -1.49 4.30 2.20 0.18 -4.91 119.74 120.12 3ipk s LYS 726 Ca 0.00 0.78 -0.12 0.00 -0.36 0.00 0.00 55.97 56.27 3ipk s LYS 726 Cb -0.13 0.01 0.07 0.00 -1.51 0.00 0.00 37.83 36.26 3ipk s LYS 726 CO 0.03 -0.18 0.96 0.09 -0.36 0.00 0.00 175.35 175.89 3ipk n ASN 727 N 4.48 -5.16 -0.13 1.43 3.02 -1.26 -1.17 115.26 116.47 3ipk n ASN 727 Ca -0.21 -0.67 -0.02 0.00 -0.03 0.00 0.00 54.58 53.66 3ipk n ASN 727 Cb 0.54 -4.11 -0.01 0.00 -0.61 0.00 0.00 39.78 35.59 3ipk n ASN 727 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ipk n GLY 728 N -1.71 0.45 3.33 7.41 0.00 -1.26 -5.01 105.19 108.41 3ipk n GLY 728 Ca 0.02 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 3ipk n GLY 728 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ipk s MET 729 N -1.17 1.88 -0.28 1.61 -1.94 -0.31 -4.19 119.30 114.89 3ipk s MET 729 Ca 0.00 -1.05 -0.08 0.00 -1.71 0.00 0.00 55.69 52.86 3ipk s MET 729 Cb 0.00 -1.98 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 3ipk s MET 729 CO 0.00 0.52 0.09 0.42 -0.01 0.00 0.00 175.02 176.04 3ipk s ILE 730 N -0.74 4.21 0.09 2.53 1.01 0.53 -0.64 121.20 128.19 3ipk s ILE 730 Ca 0.11 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 60.11 3ipk s ILE 730 Cb -0.10 -3.08 0.07 0.00 0.01 0.00 0.00 42.46 39.36 3ipk s ILE 730 CO 0.01 0.18 0.97 0.00 0.00 0.00 0.00 174.94 176.10 3ipk n TYR 731 N 4.91 -0.92 -2.27 3.97 4.11 -0.73 -1.77 117.16 124.47 3ipk n TYR 731 Ca -0.15 -0.92 -0.33 0.00 -0.00 0.00 0.00 57.90 56.50 3ipk n TYR 731 Cb 0.50 0.44 -0.04 0.00 -0.00 0.00 0.00 39.34 40.24 3ipk n TYR 731 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3ipk s ALA 732 N -1.89 2.12 0.22 -3.48 0.00 -1.26 -1.28 121.76 116.19 3ipk s ALA 732 Ca 0.22 -1.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.29 3ipk s ALA 732 Cb -0.02 -4.55 0.20 0.00 0.00 0.00 0.00 23.12 18.75 3ipk s ALA 732 CO 0.03 -4.32 1.64 1.79 0.00 0.00 0.00 175.76 174.90 3ipk h THR 733 N 7.02 1.27 0.00 0.00 1.35 -1.83 -3.37 112.91 117.34 3ipk h THR 733 Ca 0.15 -1.31 -0.08 0.00 -0.55 0.00 0.00 66.41 64.61 3ipk h THR 733 Cb 1.00 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 3ipk h THR 733 CO 1.30 0.44 -1.70 0.47 -0.25 0.00 0.00 175.52 175.78 3ipk n ASP 734 N -4.12 1.94 -4.21 5.36 8.00 -1.26 -5.06 116.55 117.20 3ipk n ASP 734 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3ipk n ASP 734 Cb 0.42 1.31 -0.10 0.00 -0.02 0.00 0.00 41.12 42.74 3ipk n ASP 734 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ipk s THR 735 N -2.70 0.19 0.74 -3.53 -4.23 -1.26 -4.91 115.64 99.95 3ipk s THR 735 Ca -0.05 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 58.42 3ipk s THR 735 Cb 0.07 -2.38 0.10 0.00 1.34 0.00 0.00 72.50 71.62 3ipk s THR 735 CO 0.54 -0.15 1.05 -0.76 -0.54 0.00 0.00 174.62 174.75 3ipk s LEU 736 N -3.16 2.86 0.00 4.79 1.43 -0.62 -4.74 118.68 119.24 3ipk s LEU 736 Ca 0.34 0.21 0.16 0.00 -1.03 0.00 0.00 54.13 53.81 3ipk s LEU 736 Cb 0.07 -2.70 0.26 0.00 0.03 0.00 0.00 46.19 43.86 3ipk s LEU 736 CO 0.09 -1.83 1.08 -0.46 0.23 0.00 0.00 176.35 175.47 3ipk n ASN 737 N -3.02 0.52 -0.09 2.29 0.23 -0.71 -3.58 115.26 110.91 3ipk n ASN 737 Ca 0.11 -1.96 -0.20 0.00 -0.53 0.00 0.00 54.58 52.00 3ipk n ASN 737 Cb 0.60 -0.20 -0.12 0.00 -2.08 0.00 0.00 39.78 37.98 3ipk n ASN 737 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3ipk h PHE 738 N 0.62 0.04 -3.49 -2.53 3.57 -1.79 -3.34 116.94 110.02 3ipk h PHE 738 Ca -0.20 -0.03 -0.30 0.00 3.53 0.00 0.00 57.97 60.98 3ipk h PHE 738 Cb 1.69 -0.00 -0.34 0.00 2.79 0.00 0.00 35.95 40.09 3ipk h PHE 738 CO 0.11 1.38 -0.72 0.21 -2.23 0.00 0.00 178.31 177.06 3ipk s LYS 739 N -2.34 -0.03 0.15 1.11 2.20 -1.26 -1.02 119.74 118.55 3ipk s LYS 739 Ca -0.26 0.21 -0.34 0.00 -0.36 0.00 0.00 55.97 55.23 3ipk s LYS 739 Cb 0.04 -0.25 -0.16 0.00 -1.51 0.00 0.00 37.83 35.95 3ipk s LYS 739 CO 0.63 -0.17 1.30 0.94 -0.36 0.00 0.00 175.35 177.69 3ipk n GLN 740 N 4.22 1.36 0.00 4.03 7.27 -1.21 -0.94 117.38 132.12 3ipk n GLN 740 Ca -0.27 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.28 3ipk n GLN 740 Cb 0.50 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.07 3ipk n GLN 740 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ipk n GLY 741 N 2.36 2.60 3.55 1.69 0.00 -0.60 -4.95 105.19 109.83 3ipk n GLY 741 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3ipk n GLY 741 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ipk s GLU 742 N -0.44 3.86 -1.64 1.61 2.02 -0.11 -4.41 118.70 119.59 3ipk s GLU 742 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.62 3ipk s GLU 742 Cb 0.00 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.72 3ipk s GLU 742 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.55 3ipk n GLY 743 N 4.88 0.72 2.08 -1.39 0.00 -1.26 -2.29 105.19 107.93 3ipk n GLY 743 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3ipk n GLY 743 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ipk n GLY 744 N -0.95 0.62 3.75 -0.02 0.00 -1.26 -1.59 105.19 105.74 3ipk n GLY 744 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3ipk n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ipk s SER 745 N -2.21 6.79 0.10 1.61 0.15 -0.97 -4.79 113.70 114.37 3ipk s SER 745 Ca 0.00 2.56 -0.03 0.00 0.70 0.00 0.00 55.95 59.18 3ipk s SER 745 Cb 0.00 -2.62 -0.22 0.00 -1.71 0.00 0.00 66.02 61.47 3ipk s SER 745 CO 0.00 -0.59 1.20 -0.09 1.20 0.00 0.00 173.24 174.96 3ipk h ARG 746 N 4.83 0.27 -4.65 5.44 2.43 -1.88 -1.59 114.38 119.24 3ipk h ARG 746 Ca -0.46 -0.41 -0.24 0.00 -0.81 0.00 0.00 59.98 58.06 3ipk h ARG 746 Cb 1.22 0.14 -0.15 0.00 -0.42 0.00 0.00 29.97 30.76 3ipk h ARG 746 CO 0.75 1.16 -0.66 -1.58 -1.51 0.00 0.00 179.97 178.13 3ipk s TRP 747 N -2.82 1.05 -0.10 2.20 0.51 -1.26 -4.74 118.94 113.78 3ipk s TRP 747 Ca -0.04 -1.08 -0.18 0.00 -2.12 0.00 0.00 56.10 52.68 3ipk s TRP 747 Cb 0.08 -0.60 -0.04 0.00 -0.81 0.00 0.00 33.47 32.09 3ipk s TRP 747 CO 0.87 -0.31 0.46 0.99 -0.51 0.00 0.00 176.95 178.45 3ipk s THR 748 N -3.79 5.16 0.51 2.01 2.01 -1.26 -3.29 115.64 117.00 3ipk s THR 748 Ca 0.22 0.93 0.20 0.00 0.31 0.00 0.00 61.69 63.35 3ipk s THR 748 Cb 0.07 -3.80 0.27 0.00 0.01 0.00 0.00 72.50 69.05 3ipk s THR 748 CO 0.02 0.36 2.14 0.00 -0.69 0.00 0.00 174.62 176.45 3ipk h MET 749 N 6.44 0.00 -6.30 4.92 -0.00 -1.20 0.54 114.93 119.32 3ipk h MET 749 Ca -0.42 0.00 -0.60 0.00 -0.00 0.00 0.00 59.70 58.68 3ipk h MET 749 Cb 1.18 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.68 3ipk h MET 749 CO 0.74 0.05 -0.64 1.52 -0.00 0.00 0.00 176.91 178.58 3ipk s TYR 750 N -4.82 2.90 0.20 -0.10 -0.85 -1.26 -2.34 117.35 111.09 3ipk s TYR 750 Ca -0.05 -0.11 -0.31 0.00 -0.52 0.00 0.00 57.07 56.08 3ipk s TYR 750 Cb 0.16 -1.40 -0.10 0.00 0.38 0.00 0.00 41.96 41.00 3ipk s TYR 750 CO 0.64 0.52 1.47 0.21 -1.52 0.00 0.00 175.55 176.87 3ipk s LYS 751 N -2.99 4.26 0.00 -3.49 2.47 -1.26 -1.87 119.74 116.86 3ipk s LYS 751 Ca 0.28 2.28 0.00 0.00 -1.56 0.00 0.00 55.97 56.97 3ipk s LYS 751 Cb -0.09 -3.15 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 3ipk s LYS 751 CO 0.20 -0.48 0.00 0.27 0.16 0.00 0.00 175.35 175.50 3ipk n ASN 752 N 3.10 0.00 0.07 1.43 0.23 -1.26 -4.87 115.26 113.96 3ipk n ASN 752 Ca 0.10 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.25 3ipk n ASN 752 Cb 0.40 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.53 3ipk n ASN 752 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3ipk n SER 753 N 0.00 0.39 -4.81 0.53 7.64 -1.26 -4.83 113.62 111.27 3ipk n SER 753 Ca 0.00 0.58 -0.34 0.00 1.01 0.00 0.00 58.87 60.12 3ipk n SER 753 Cb 0.00 -0.67 -0.07 0.00 -1.01 0.00 0.00 64.21 62.47 3ipk n SER 753 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3ipk s GLN 754 N -3.15 4.30 0.33 1.43 -0.21 -1.26 -5.03 119.66 116.07 3ipk s GLN 754 Ca 0.07 1.07 -0.29 0.00 0.02 0.00 0.00 55.36 56.24 3ipk s GLN 754 Cb 0.11 -2.49 -0.10 0.00 1.00 0.00 0.00 33.01 31.53 3ipk s GLN 754 CO 0.39 0.15 1.26 0.00 -2.12 0.00 0.00 175.29 174.96 3ipk s ALA 755 N -1.90 3.46 0.00 6.09 0.00 -1.26 -2.64 121.76 125.50 3ipk s ALA 755 Ca 0.55 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.69 3ipk s ALA 755 Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3ipk s ALA 755 CO 0.18 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3ipk n GLY 756 N 0.86 0.54 3.80 0.00 0.00 -1.26 -4.87 105.19 104.25 3ipk n GLY 756 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3ipk n GLY 756 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ipk s SER 757 N -2.27 5.27 -0.01 1.61 1.04 -1.08 -3.99 113.70 114.27 3ipk s SER 757 Ca 0.00 1.74 -0.00 0.00 0.48 0.00 0.00 55.95 58.17 3ipk s SER 757 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 3ipk s SER 757 CO 0.00 -1.52 0.00 0.61 0.98 0.00 0.00 173.24 173.31 3ipk n GLY 758 N -1.47 0.41 0.27 7.32 0.00 0.19 -4.56 105.19 107.36 3ipk n GLY 758 Ca 0.08 -0.87 0.14 0.00 0.00 0.00 0.00 46.02 45.37 3ipk n GLY 758 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3ipk h TRP 759 N -0.00 0.00 -0.88 1.61 5.08 -1.47 -3.35 115.95 116.94 3ipk h TRP 759 Ca -0.00 0.00 -0.74 0.00 1.08 0.00 0.00 58.89 59.23 3ipk h TRP 759 Cb 1.00 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 27.05 3ipk h TRP 759 CO 0.00 0.08 2.43 -3.47 -1.28 0.00 0.00 178.44 176.21 3ipk n ASP 760 N -3.67 4.65 -3.65 0.11 2.03 -0.99 -3.71 116.55 111.32 3ipk n ASP 760 Ca -0.02 -3.01 -0.15 0.00 0.52 0.00 0.00 54.79 52.12 3ipk n ASP 760 Cb 0.19 -1.54 -0.08 0.00 -0.72 0.00 0.00 41.12 38.97 3ipk n ASP 760 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3ipk s SER 761 N 1.69 -0.45 0.63 1.67 1.04 -1.26 -4.97 113.70 112.05 3ipk s SER 761 Ca 0.42 0.53 0.35 0.00 0.48 0.00 0.00 55.95 57.74 3ipk s SER 761 Cb 0.11 0.56 2.00 0.00 0.10 0.00 0.00 66.02 68.79 3ipk s SER 761 CO -0.03 -0.46 2.21 0.77 0.98 0.00 0.00 173.24 176.72 3ipk h SER 762 N 3.83 0.00 -0.01 7.02 4.64 -1.95 -2.40 113.55 124.68 3ipk h SER 762 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3ipk h SER 762 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3ipk h SER 762 CO 0.35 0.00 -0.64 -0.90 -0.87 0.00 0.00 176.83 174.77 3ipk n ASP 763 N -3.39 1.18 -4.72 4.97 5.75 -1.26 -4.99 116.55 114.09 3ipk n ASP 763 Ca -0.02 -1.09 -0.43 0.00 -0.01 0.00 0.00 54.79 53.25 3ipk n ASP 763 Cb 0.18 0.79 -0.03 0.00 -1.03 0.00 0.00 41.12 41.04 3ipk n ASP 763 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ipk n ALA 764 N -0.88 2.48 -0.07 2.12 0.00 -0.90 -4.87 120.51 118.38 3ipk n ALA 764 Ca 0.05 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.92 3ipk n ALA 764 Cb 0.31 -2.47 0.38 0.00 0.00 0.00 0.00 19.45 17.67 3ipk n ALA 764 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ipk h PRO 765 N 5.79 0.65 -0.79 0.00 0.11 -1.91 -2.32 132.00 133.53 3ipk h PRO 765 Ca -0.45 -0.04 -0.46 0.00 0.11 0.00 0.00 66.00 65.17 3ipk h PRO 765 Cb 1.22 -0.15 -0.26 0.00 0.11 0.00 0.00 31.00 31.93 3ipk h PRO 765 CO 0.88 0.43 0.36 0.27 -0.21 0.00 0.00 178.00 179.73 3ipk n ASN 766 N -4.46 4.30 0.27 -2.05 6.94 -1.26 -4.56 115.26 114.44 3ipk n ASN 766 Ca 0.05 -3.72 0.18 0.00 -0.02 0.00 0.00 54.58 51.08 3ipk n ASN 766 Cb 0.09 -0.77 0.85 0.00 -2.36 0.00 0.00 39.78 37.59 3ipk n ASN 766 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3ipk h SER 767 N 1.31 0.00 0.29 0.53 4.64 -1.49 -1.62 113.55 117.20 3ipk h SER 767 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3ipk h SER 767 Cb 1.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 3ipk h SER 767 CO 0.97 0.00 0.00 4.11 -0.87 0.00 0.00 176.83 181.04 3ipk h TRP 768 N 0.00 0.00 0.00 4.77 5.08 -1.80 -2.53 115.95 121.46 3ipk h TRP 768 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 3ipk h TRP 768 Cb 0.27 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.43 3ipk h TRP 768 CO 0.00 0.00 -0.05 -0.92 -1.28 0.00 0.00 178.44 176.19 3ipk h TYR 769 N 0.00 0.00 -0.22 0.12 3.20 -1.64 -1.78 116.97 116.65 3ipk h TYR 769 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3ipk h TYR 769 Cb 0.15 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3ipk h TYR 769 CO 0.00 0.05 -0.03 0.41 -1.64 0.00 0.00 178.16 176.95 3ipk n GLY 770 N -1.27 4.45 3.33 1.82 0.00 -0.95 -0.98 105.19 111.59 3ipk n GLY 770 Ca -0.03 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 3ipk n GLY 770 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipk s ALA 771 N -2.95 1.79 0.00 4.61 0.00 -0.67 -1.50 121.76 123.04 3ipk s ALA 771 Ca 0.41 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3ipk s ALA 771 Cb 0.35 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.42 3ipk s ALA 771 CO 0.05 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3ipk n GLY 772 N -0.48 3.14 3.25 0.00 0.00 -0.41 -4.56 105.19 106.12 3ipk n GLY 772 Ca -0.01 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 3ipk n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipk s ALA 773 N -1.26 -0.54 -0.12 4.61 0.00 -0.93 -2.34 121.76 121.17 3ipk s ALA 773 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3ipk s ALA 773 Cb 0.00 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.71 3ipk s ALA 773 CO 0.00 -0.56 -0.11 0.42 0.00 0.00 0.00 175.76 175.51 3ipk s ILE 774 N -3.77 1.26 -0.30 0.00 1.01 -0.03 0.17 121.20 119.53 3ipk s ILE 774 Ca 0.04 -0.44 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 3ipk s ILE 774 Cb 0.03 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.29 3ipk s ILE 774 CO -0.11 0.40 0.87 -0.75 0.00 0.00 0.00 174.94 175.35 3ipk s LYS 775 N 1.54 4.02 0.14 2.79 2.20 0.58 -1.05 119.74 129.97 3ipk s LYS 775 Ca 0.04 0.77 0.11 0.00 -0.36 0.00 0.00 55.97 56.52 3ipk s LYS 775 Cb -0.13 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 3ipk s LYS 775 CO -0.08 -0.71 -0.25 -1.64 -0.36 0.00 0.00 175.35 172.31 3ipk s MET 776 N 3.11 1.47 0.10 4.03 -1.94 -0.06 -1.12 119.30 124.89 3ipk s MET 776 Ca 0.36 -1.38 0.01 0.00 -1.71 0.00 0.00 55.69 52.98 3ipk s MET 776 Cb -0.14 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 3ipk s MET 776 CO 0.12 0.44 -0.04 -1.12 -0.01 0.00 0.00 175.02 174.41 3ipk s SER 777 N -2.23 1.00 0.00 3.03 0.01 -1.26 -0.31 113.70 113.94 3ipk s SER 777 Ca 0.16 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.38 3ipk s SER 777 Cb -0.10 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.26 3ipk s SER 777 CO 0.07 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.82 3ipk n GLY 778 N -0.05 0.02 0.15 3.44 0.00 0.62 -4.77 105.19 104.60 3ipk n GLY 778 Ca -0.11 -1.73 0.05 0.00 0.00 0.00 0.00 46.02 44.22 3ipk n GLY 778 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ipk h PRO 779 N 0.00 0.00 -4.83 1.61 0.13 -1.88 -2.66 132.00 124.38 3ipk h PRO 779 Ca 0.00 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 3ipk h PRO 779 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 3ipk h PRO 779 CO 0.00 0.35 -0.76 -0.80 -0.23 0.00 0.00 178.00 176.56 3ipk s ASN 780 N -6.27 4.63 0.32 1.44 0.01 -1.26 -4.31 114.94 109.50 3ipk s ASN 780 Ca 0.04 -1.38 0.09 0.00 -0.71 0.00 0.00 52.86 50.90 3ipk s ASN 780 Cb 0.07 -1.61 -0.06 0.00 0.41 0.00 0.00 41.25 40.06 3ipk s ASN 780 CO 0.74 -0.22 -0.10 0.20 -1.51 0.00 0.00 177.10 176.20 3ipk s ASN 781 N 1.16 3.52 0.18 -1.22 0.01 -0.91 -4.99 114.94 112.68 3ipk s ASN 781 Ca -0.07 -1.17 -0.21 0.00 -0.71 0.00 0.00 52.86 50.70 3ipk s ASN 781 Cb -0.20 -0.31 0.05 0.00 0.41 0.00 0.00 41.25 41.20 3ipk s ASN 781 CO -0.04 -0.20 0.57 -0.72 -1.51 0.00 0.00 177.10 175.21 3ipk s TYR 782 N -2.67 -0.37 -0.24 2.20 -0.85 -1.26 -1.11 117.35 113.05 3ipk s TYR 782 Ca 0.31 0.09 -0.27 0.00 -0.52 0.00 0.00 57.07 56.68 3ipk s TYR 782 Cb 0.02 0.50 0.14 0.00 0.38 0.00 0.00 41.96 43.00 3ipk s TYR 782 CO 0.15 -0.89 1.10 0.54 -1.52 0.00 0.00 175.55 174.94 3ipk s VAL 783 N -3.80 0.00 -0.18 -3.49 0.11 -0.43 -1.13 120.40 111.47 3ipk s VAL 783 Ca 0.04 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.03 3ipk s VAL 783 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 3ipk s VAL 783 CO -0.08 0.00 0.02 -0.89 -3.33 0.00 0.00 175.10 170.81 3ipk s THR 784 N -0.37 4.27 -0.01 5.04 2.01 0.28 -0.57 115.64 126.29 3ipk s THR 784 Ca 0.03 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 61.88 3ipk s THR 784 Cb -0.03 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 3ipk s THR 784 CO -0.05 0.46 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.43 3ipk s VAL 785 N 0.59 1.72 0.10 3.82 1.01 -0.65 -0.04 120.40 126.95 3ipk s VAL 785 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 60.77 3ipk s VAL 785 Cb -0.14 -1.44 0.09 0.00 0.00 0.00 0.00 36.38 34.89 3ipk s VAL 785 CO 0.02 0.46 1.15 -0.83 0.00 0.00 0.00 175.10 175.90 3ipk s GLY 786 N -0.58 -0.00 -0.04 4.51 0.00 -0.52 -1.06 107.32 109.63 3ipk s GLY 786 Ca 0.08 -0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.71 3ipk s GLY 786 CO -0.01 3.63 -0.23 0.00 0.00 0.00 0.00 173.10 176.50 3ipk s ALA 787 N -2.12 1.99 0.02 3.20 0.00 -0.58 -0.94 121.76 123.32 3ipk s ALA 787 Ca 0.25 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 3ipk s ALA 787 Cb -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 3ipk s ALA 787 CO 0.03 0.42 0.01 -0.08 0.00 0.00 0.00 175.76 176.13 3ipk s THR 788 N -0.27 0.12 0.38 0.00 -1.32 -0.20 -1.32 115.64 113.03 3ipk s THR 788 Ca 0.01 -0.97 -0.27 0.00 -1.21 0.00 0.00 61.69 59.24 3ipk s THR 788 Cb -0.12 -0.45 -0.10 0.00 -1.51 0.00 0.00 72.50 70.32 3ipk s THR 788 CO 0.02 -0.54 1.37 -0.44 -2.21 0.00 0.00 174.62 172.83 3ipk s SER 789 N -1.64 6.38 0.37 8.08 0.01 -0.20 -1.12 113.70 125.59 3ipk s SER 789 Ca -0.13 2.82 0.09 0.00 1.31 0.00 0.00 55.95 60.04 3ipk s SER 789 Cb -0.07 -2.65 0.83 0.00 0.21 0.00 0.00 66.02 64.34 3ipk s SER 789 CO -0.02 -0.82 1.92 0.00 0.41 0.00 0.00 173.24 174.73 3ipk h ALA 790 N 2.91 1.83 0.00 1.44 0.00 -1.69 -0.83 119.26 122.92 3ipk h ALA 790 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ipk h ALA 790 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ipk h ALA 790 CO 0.64 -0.01 0.00 1.79 0.00 0.00 0.00 179.25 181.67 3ipk h THR 791 N 0.67 0.00 0.00 0.00 1.35 -1.83 -0.34 112.91 112.76 3ipk h THR 791 Ca 0.37 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.18 3ipk h THR 791 Cb 0.54 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3ipk h THR 791 CO -0.14 0.00 -0.23 0.78 -0.25 0.00 0.00 175.52 175.67 3ipk h ASN 792 N 0.00 0.00 0.03 5.36 2.35 -1.51 -3.36 115.58 118.46 3ipk h ASN 792 Ca 0.00 -0.03 -0.37 0.00 -0.55 0.00 0.00 56.30 55.35 3ipk h ASN 792 Cb 0.06 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.36 3ipk h ASN 792 CO 0.00 0.01 -2.35 0.52 -1.65 0.00 0.00 177.43 173.96 3ipk n VAL 793 N -2.67 1.43 -3.54 2.81 0.31 -0.17 -5.05 118.33 111.44 3ipk n VAL 793 Ca 0.04 -0.81 -0.11 0.00 -0.01 0.00 0.00 64.34 63.45 3ipk n VAL 793 Cb 0.49 -0.67 -0.03 0.00 -0.91 0.00 0.00 33.84 32.72 3ipk n VAL 793 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ipk s MET 794 N -2.50 1.27 0.55 5.55 0.23 -0.99 -5.15 119.30 118.25 3ipk s MET 794 Ca -0.14 -0.61 -0.19 0.00 -1.03 0.00 0.00 55.69 53.72 3ipk s MET 794 Cb 0.07 0.55 -0.05 0.00 -1.53 0.00 0.00 34.83 33.86 3ipk s MET 794 CO 0.79 -0.54 1.09 -1.25 -2.03 0.00 0.00 175.02 173.08 3ipk s PRO 795 N -3.79 3.39 0.54 3.16 0.04 -1.26 -4.37 135.00 132.72 3ipk s PRO 795 Ca 0.03 1.46 0.28 0.00 0.04 0.00 0.00 61.00 62.81 3ipk s PRO 795 Cb -0.01 -2.02 1.44 0.00 0.04 0.00 0.00 34.50 33.95 3ipk s PRO 795 CO -0.10 -0.79 1.96 -0.39 0.04 0.00 0.00 177.00 177.72 3ipk h VAL 796 N 1.04 0.62 0.00 -0.36 -1.51 -1.94 -0.21 116.25 113.90 3ipk h VAL 796 Ca -0.49 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 64.97 3ipk h VAL 796 Cb 1.24 0.68 -0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3ipk h VAL 796 CO 0.57 0.00 -0.04 0.77 -1.23 0.00 0.00 177.57 177.64 3ipk h SER 797 N 0.00 0.00 0.04 4.19 4.64 -2.02 -1.79 113.55 118.61 3ipk h SER 797 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3ipk h SER 797 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3ipk h SER 797 CO -0.00 0.04 -0.15 0.47 -0.87 0.00 0.00 176.83 176.32 3ipk n ASP 798 N -3.42 1.87 -4.83 4.97 8.00 -0.09 -4.97 116.55 118.08 3ipk n ASP 798 Ca -0.02 -1.49 -0.35 0.00 0.71 0.00 0.00 54.79 53.64 3ipk n ASP 798 Cb 0.17 0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 3ipk n ASP 798 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3ipk s MET 799 N -2.20 4.15 0.48 -1.24 -1.94 -0.68 -5.04 119.30 112.83 3ipk s MET 799 Ca 0.29 0.77 -0.23 0.00 -1.71 0.00 0.00 55.69 54.81 3ipk s MET 799 Cb 0.20 -2.73 -0.07 0.00 2.01 0.00 0.00 34.83 34.24 3ipk s MET 799 CO 0.41 0.32 1.24 -2.14 -0.01 0.00 0.00 175.02 174.84 3ipk s PRO 800 N -2.32 3.57 -0.19 2.03 0.02 -1.26 -4.99 135.00 131.85 3ipk s PRO 800 Ca 0.46 1.96 -0.07 0.00 0.02 0.00 0.00 61.00 63.38 3ipk s PRO 800 Cb -0.14 -2.39 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 3ipk s PRO 800 CO 0.20 -0.76 0.04 0.08 -0.33 0.00 0.00 177.00 176.23 3ipk s VAL 801 N -1.44 4.49 -0.33 3.83 1.01 -1.26 -4.94 120.40 121.76 3ipk s VAL 801 Ca 0.66 -0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 3ipk s VAL 801 Cb -0.33 -3.03 0.06 0.00 0.00 0.00 0.00 36.38 33.08 3ipk s VAL 801 CO 0.40 0.44 0.08 -0.69 0.00 0.00 0.00 175.10 175.33 3ipk s VAL 802 N 0.61 3.32 -0.31 2.92 1.01 -1.26 -4.41 120.40 122.28 3ipk s VAL 802 Ca 0.02 -1.43 -0.43 0.00 0.00 0.00 0.00 61.98 60.15 3ipk s VAL 802 Cb -0.13 -2.97 -0.18 0.00 0.00 0.00 0.00 36.38 33.10 3ipk s VAL 802 CO 0.02 -0.24 1.59 -2.65 0.00 0.00 0.00 175.10 173.82 3ipk n PRO 803 N 4.68 0.58 -0.29 2.72 -0.02 -1.26 -0.65 135.00 140.77 3ipk n PRO 803 Ca -0.11 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3ipk n PRO 803 Cb 0.43 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3ipk n PRO 803 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ipk n GLY 804 N 3.73 0.94 3.33 -1.23 0.00 -1.26 -5.05 105.19 105.65 3ipk n GLY 804 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 3ipk n GLY 804 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ipk s LYS 805 N -0.55 2.36 -0.36 1.61 1.02 0.17 -5.10 119.74 118.88 3ipk s LYS 805 Ca 0.00 -0.88 -0.18 0.00 0.02 0.00 0.00 55.97 54.94 3ipk s LYS 805 Cb 0.00 -2.15 -0.00 0.00 -0.52 0.00 0.00 37.83 35.15 3ipk s LYS 805 CO 0.00 0.50 0.49 0.34 -0.92 0.00 0.00 175.35 175.76 3ipk s ASP 806 N -0.46 6.28 0.00 2.83 -1.08 -1.26 -4.60 116.67 118.38 3ipk s ASP 806 Ca 0.05 -0.15 0.08 0.00 -0.52 0.00 0.00 52.55 52.01 3ipk s ASP 806 Cb -0.11 -2.25 0.33 0.00 -1.46 0.00 0.00 42.92 39.42 3ipk s ASP 806 CO 0.01 -0.48 1.24 0.59 0.52 0.00 0.00 175.17 177.05 3ipk n ASN 807 N 5.70 0.00 -0.57 -0.34 3.02 -1.26 -1.65 115.26 120.16 3ipk n ASN 807 Ca -0.06 0.49 0.13 0.00 -0.03 0.00 0.00 54.58 55.11 3ipk n ASN 807 Cb 0.49 -0.49 0.32 0.00 -0.61 0.00 0.00 39.78 39.49 3ipk n ASN 807 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ipk n THR 808 N -1.49 0.00 -1.56 3.41 -2.24 -1.26 -4.49 114.28 106.65 3ipk n THR 808 Ca 0.02 -0.30 -0.48 0.00 -2.27 0.00 0.00 64.05 61.02 3ipk n THR 808 Cb 0.09 0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 3ipk n THR 808 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ipk n ASP 809 N 0.33 1.08 -4.72 3.42 8.00 -0.66 -4.85 116.55 119.15 3ipk n ASP 809 Ca 0.15 1.15 -0.30 0.00 0.71 0.00 0.00 54.79 56.50 3ipk n ASP 809 Cb 0.43 -1.19 0.13 0.00 -0.02 0.00 0.00 41.12 40.47 3ipk n ASP 809 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ipk s GLY 810 N -0.17 1.62 0.26 0.44 0.00 -1.26 -4.86 107.32 103.36 3ipk s GLY 810 Ca 0.71 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 45.43 3ipk s GLY 810 CO 0.54 0.45 0.16 -1.59 0.00 0.00 0.00 173.10 172.66 3ipk s LYS 811 N -4.93 1.43 0.00 2.90 -2.85 0.77 -4.64 119.74 112.43 3ipk s LYS 811 Ca 0.63 -1.79 -0.25 0.00 -1.00 0.00 0.00 55.97 53.56 3ipk s LYS 811 Cb -0.18 0.13 -0.05 0.00 -2.06 0.00 0.00 37.83 35.67 3ipk s LYS 811 CO 0.57 -0.45 0.77 0.15 0.10 0.00 0.00 175.35 176.49 3ipk s LYS 812 N -3.92 4.48 -1.52 1.78 1.02 -1.26 0.08 119.74 120.41 3ipk s LYS 812 Ca 0.38 1.05 -0.10 0.00 0.02 0.00 0.00 55.97 57.33 3ipk s LYS 812 Cb 0.06 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 3ipk s LYS 812 CO 0.17 0.17 2.65 -0.35 -0.92 0.00 0.00 175.35 177.07 3ipk n PRO 813 N 3.28 3.74 -4.17 -1.68 -0.04 -1.26 -4.87 135.00 130.00 3ipk n PRO 813 Ca -0.01 -2.61 -0.11 0.00 -0.04 0.00 0.00 63.50 60.72 3ipk n PRO 813 Cb 0.51 -2.86 -0.09 0.00 -0.04 0.00 0.00 33.50 31.02 3ipk n PRO 813 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ipk s ASN 814 N 1.89 0.14 -0.21 3.54 2.20 -1.26 -1.14 114.94 120.09 3ipk s ASN 814 Ca 0.61 -1.30 -0.28 0.00 -0.94 0.00 0.00 52.86 50.94 3ipk s ASN 814 Cb 0.17 0.40 0.13 0.00 -2.00 0.00 0.00 41.25 39.95 3ipk s ASN 814 CO -0.07 -0.86 1.05 -0.51 -2.94 0.00 0.00 177.10 173.76 3ipk s ILE 815 N -4.13 0.00 -0.08 0.54 2.07 0.15 -4.80 121.20 114.95 3ipk s ILE 815 Ca 0.35 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.62 3ipk s ILE 815 Cb 0.06 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.63 3ipk s ILE 815 CO 0.10 0.00 -0.17 0.86 -1.91 0.00 0.00 174.94 173.82 3ipk s TRP 816 N -0.64 2.67 0.23 3.50 -0.00 -1.26 -1.00 118.94 122.44 3ipk s TRP 816 Ca 0.01 -0.53 -0.21 0.00 -0.00 0.00 0.00 56.10 55.37 3ipk s TRP 816 Cb -0.02 -1.71 0.04 0.00 -0.00 0.00 0.00 33.47 31.78 3ipk s TRP 816 CO -0.02 -0.10 0.65 1.52 -0.00 0.00 0.00 176.95 179.01 3ipk s TYR 817 N -0.12 -0.31 -0.04 5.86 -0.85 -0.94 -5.03 117.35 115.92 3ipk s TYR 817 Ca -0.02 -0.05 -0.23 0.00 -0.52 0.00 0.00 57.07 56.25 3ipk s TYR 817 Cb -0.14 0.62 0.05 0.00 0.38 0.00 0.00 41.96 42.87 3ipk s TYR 817 CO 0.04 -1.06 0.51 -1.54 -1.52 0.00 0.00 175.55 171.98 3ipk s SER 818 N -2.85 -0.45 -0.21 -0.18 1.04 -1.26 -1.29 113.70 108.50 3ipk s SER 818 Ca 0.07 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.97 3ipk s SER 818 Cb -0.04 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.58 3ipk s SER 818 CO -0.01 -0.52 -0.16 -0.76 0.98 0.00 0.00 173.24 172.77 3ipk s LEU 819 N -1.20 2.59 0.00 2.42 1.43 -1.26 -4.65 118.68 118.01 3ipk s LEU 819 Ca -0.12 -0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 52.05 3ipk s LEU 819 Cb -0.02 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.73 3ipk s LEU 819 CO 0.07 -0.08 0.14 -0.46 0.23 0.00 0.00 176.35 176.25 3ipk n ASN 820 N 4.57 -0.39 -0.85 2.29 0.23 -1.25 -4.87 115.26 115.00 3ipk n ASN 820 Ca -0.18 -1.54 0.09 0.00 -0.53 0.00 0.00 54.58 52.43 3ipk n ASN 820 Cb 0.47 0.72 0.26 0.00 -2.08 0.00 0.00 39.78 39.15 3ipk n ASN 820 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ipk n GLY 821 N -0.16 1.08 3.36 4.83 0.00 0.11 0.07 105.19 114.47 3ipk n GLY 821 Ca 0.00 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 3ipk n GLY 821 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ipk n LYS 822 N 0.86 2.45 -1.78 1.61 4.81 -1.23 -4.70 118.16 120.17 3ipk n LYS 822 Ca 0.17 -2.73 -0.42 0.00 -0.87 0.00 0.00 58.31 54.46 3ipk n LYS 822 Cb 0.42 -3.44 -0.03 0.00 0.02 0.00 0.00 35.03 32.00 3ipk n LYS 822 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3ipk s ILE 823 N 6.04 2.27 -1.18 3.15 1.10 -1.26 -4.81 121.20 126.51 3ipk s ILE 823 Ca 0.57 0.14 0.27 0.00 -0.51 0.00 0.00 60.65 61.12 3ipk s ILE 823 Cb 0.06 -3.09 0.17 0.00 0.15 0.00 0.00 42.46 39.75 3ipk s ILE 823 CO 0.07 0.01 1.65 0.54 -2.11 0.00 0.00 174.94 175.10 3ipk n ARG 824 N 4.25 0.20 -1.20 3.50 5.12 -1.26 -4.89 116.66 122.36 3ipk n ARG 824 Ca 0.16 -0.08 -0.32 0.00 -1.93 0.00 0.00 57.85 55.67 3ipk n ARG 824 Cb 0.36 -1.50 0.11 0.00 -1.16 0.00 0.00 32.46 30.27 3ipk n ARG 824 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ipk s ALA 825 N -2.86 2.06 0.26 7.54 0.00 -1.26 -4.25 121.76 123.25 3ipk s ALA 825 Ca 0.16 0.48 -0.09 0.00 0.00 0.00 0.00 51.96 52.51 3ipk s ALA 825 Cb 0.19 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 3ipk s ALA 825 CO 0.60 -1.98 0.58 0.14 0.00 0.00 0.00 175.76 175.10 3ipk s VAL 826 N -2.62 4.91 -1.51 0.00 -7.23 0.68 -4.42 120.40 110.20 3ipk s VAL 826 Ca 0.65 0.45 -0.13 0.00 -1.81 0.00 0.00 61.98 61.14 3ipk s VAL 826 Cb -0.21 -3.65 0.09 0.00 0.56 0.00 0.00 36.38 33.18 3ipk s VAL 826 CO 0.53 -0.16 0.85 0.59 -0.31 0.00 0.00 175.10 176.60 3ipk n ASN 827 N -0.39 -4.55 -4.67 4.85 3.02 -1.26 -4.77 115.26 107.49 3ipk n ASN 827 Ca 0.01 -0.71 -0.42 0.00 -0.03 0.00 0.00 54.58 53.43 3ipk n ASN 827 Cb 0.53 -3.66 -0.03 0.00 -0.61 0.00 0.00 39.78 36.01 3ipk n ASN 827 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ipk s VAL 828 N -3.22 4.78 0.25 2.41 1.01 -1.26 -5.00 120.40 119.36 3ipk s VAL 828 Ca 0.61 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 64.14 3ipk s VAL 828 Cb -0.31 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.73 3ipk s VAL 828 CO 0.75 -0.07 1.49 -2.84 0.00 0.00 0.00 175.10 174.43 3ipk s PRO 829 N 2.62 4.23 -0.06 2.72 0.02 -1.26 -4.80 135.00 138.46 3ipk s PRO 829 Ca 0.42 2.37 0.03 0.00 0.02 0.00 0.00 61.00 63.85 3ipk s PRO 829 Cb -0.16 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 3ipk s PRO 829 CO 0.10 -0.49 -0.15 0.15 -0.33 0.00 0.00 177.00 176.28 3ipk s LYS 830 N -0.23 2.65 -0.24 5.54 1.02 -1.26 -0.01 119.74 127.21 3ipk s LYS 830 Ca 0.61 -0.72 -0.24 0.00 0.02 0.00 0.00 55.97 55.65 3ipk s LYS 830 Cb -0.43 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.47 3ipk s LYS 830 CO 0.43 0.53 0.79 0.08 -0.92 0.00 0.00 175.35 176.26 3ipk s VAL 831 N -0.50 4.87 0.00 3.17 1.01 -0.82 -4.87 120.40 123.26 3ipk s VAL 831 Ca 0.07 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3ipk s VAL 831 Cb -0.12 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.18 3ipk s VAL 831 CO 0.02 -0.04 0.00 0.35 0.00 0.00 0.00 175.10 175.42 3ipk n THR 832 N 5.18 0.00 -3.70 3.92 -2.24 -1.26 -4.20 114.28 111.98 3ipk n THR 832 Ca 0.04 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 3ipk n THR 832 Cb 0.48 0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 69.14 3ipk n THR 832 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ipk s LYS 833 N -1.36 3.76 0.21 -0.78 -0.14 -1.26 -4.57 119.74 115.60 3ipk s LYS 833 Ca 0.00 -0.42 -0.28 0.00 -1.36 0.00 0.00 55.97 53.91 3ipk s LYS 833 Cb 0.00 -3.44 -0.09 0.00 -1.68 0.00 0.00 37.83 32.63 3ipk s LYS 833 CO 0.00 -0.18 0.88 -2.00 -0.76 0.00 0.00 175.35 173.29 3ipk s GLU 834 N 1.64 4.75 -0.28 1.68 2.12 -1.25 -4.56 118.70 122.81 3ipk s GLU 834 Ca 0.07 1.37 -0.29 0.00 0.36 0.00 0.00 54.97 56.47 3ipk s GLU 834 Cb -0.15 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 30.98 3ipk s GLU 834 CO 0.06 0.53 1.06 0.21 -0.54 0.00 0.00 175.26 176.58 3ipk s LYS 835 N -1.15 4.16 0.56 4.30 2.20 -1.26 -4.71 119.74 123.83 3ipk s LYS 835 Ca 0.39 1.21 -0.19 0.00 -0.36 0.00 0.00 55.97 57.02 3ipk s LYS 835 Cb -0.25 -3.69 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 3ipk s LYS 835 CO 0.30 -0.77 1.15 -1.25 -0.36 0.00 0.00 175.35 174.42 3ipk s PRO 836 N 3.43 3.22 0.11 4.03 0.04 -1.26 -5.03 135.00 139.54 3ipk s PRO 836 Ca 0.45 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 63.14 3ipk s PRO 836 Cb -0.14 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3ipk s PRO 836 CO 0.11 -0.97 0.30 0.95 0.04 0.00 0.00 177.00 177.43 3ipk s THR 837 N -1.73 5.28 0.11 1.26 -4.23 -1.26 -4.99 115.64 110.08 3ipk s THR 837 Ca 0.74 -0.26 -0.32 0.00 -1.18 0.00 0.00 61.69 60.67 3ipk s THR 837 Cb -0.26 -3.65 -0.11 0.00 1.34 0.00 0.00 72.50 69.82 3ipk s THR 837 CO 0.29 0.05 1.81 -2.65 -0.54 0.00 0.00 174.62 173.58 3ipk n PRO 838 N 0.03 2.66 -1.75 3.99 -0.02 -1.26 -4.91 135.00 133.73 3ipk n PRO 838 Ca -0.04 0.97 -0.42 0.00 -2.02 0.00 0.00 63.50 61.99 3ipk n PRO 838 Cb 0.52 -2.84 -0.01 0.00 -0.02 0.00 0.00 33.50 31.15 3ipk n PRO 838 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3ipk n PRO 839 N 5.44 2.66 -3.48 0.52 -0.02 -1.26 -4.97 135.00 133.89 3ipk n PRO 839 Ca 0.18 0.94 -0.39 0.00 -2.02 0.00 0.00 63.50 62.21 3ipk n PRO 839 Cb 0.35 -2.70 -0.10 0.00 -0.02 0.00 0.00 33.50 31.03 3ipk n PRO 839 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ipk s VAL 840 N -0.40 5.23 -0.02 -1.45 1.01 -1.26 -5.05 120.40 118.47 3ipk s VAL 840 Ca 0.60 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 3ipk s VAL 840 Cb -0.49 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 3ipk s VAL 840 CO 0.54 0.09 1.30 -0.75 0.00 0.00 0.00 175.10 176.28 3ipk s LYS 841 N 1.90 4.32 0.87 2.72 2.20 -1.26 -4.89 119.74 125.60 3ipk s LYS 841 Ca 0.10 1.83 -0.11 0.00 -0.36 0.00 0.00 55.97 57.42 3ipk s LYS 841 Cb -0.16 -3.55 0.11 0.00 -1.51 0.00 0.00 37.83 32.72 3ipk s LYS 841 CO 0.11 -0.50 1.09 -1.25 -0.36 0.00 0.00 175.35 174.44 3ipk s PRO 842 N 2.23 1.49 -0.20 4.03 0.04 -1.26 -5.03 135.00 136.30 3ipk s PRO 842 Ca 0.60 0.87 -0.08 0.00 0.04 0.00 0.00 61.00 62.44 3ipk s PRO 842 Cb -0.28 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3ipk s PRO 842 CO 0.25 -2.09 0.07 0.99 0.04 0.00 0.00 177.00 176.25 3ipk s THR 843 N -2.94 4.72 0.27 1.26 2.01 -1.26 -5.03 115.64 114.66 3ipk s THR 843 Ca 0.63 -0.05 -0.31 0.00 0.31 0.00 0.00 61.69 62.27 3ipk s THR 843 Cb -0.18 -3.15 -0.12 0.00 0.01 0.00 0.00 72.50 69.07 3ipk s THR 843 CO 0.57 0.42 1.62 0.00 -0.69 0.00 0.00 174.62 176.54 3ipk n ALA 844 N 3.91 2.55 -1.71 7.40 0.00 -1.26 -4.91 120.51 126.49 3ipk n ALA 844 Ca -0.16 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 3ipk n ALA 844 Cb 0.52 -2.47 0.03 0.00 0.00 0.00 0.00 19.45 17.53 3ipk n ALA 844 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ipk n PRO 845 N 2.62 1.71 -1.93 0.00 -0.04 -1.26 -4.91 135.00 131.18 3ipk n PRO 845 Ca 0.11 0.62 -0.41 0.00 -0.04 0.00 0.00 63.50 63.77 3ipk n PRO 845 Cb 0.36 -2.43 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 3ipk n PRO 845 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3ipk s THR 846 N -1.28 2.47 0.57 0.52 -1.32 -1.26 -4.94 115.64 110.42 3ipk s THR 846 Ca 0.67 0.39 -0.19 0.00 -1.21 0.00 0.00 61.69 61.35 3ipk s THR 846 Cb -0.46 -3.25 -0.06 0.00 -1.51 0.00 0.00 72.50 67.22 3ipk s THR 846 CO 0.53 0.06 0.99 2.29 -2.21 0.00 0.00 174.62 176.29 3ipk n LYS 847 N 2.41 1.01 -2.50 7.08 2.85 -1.26 -4.93 118.16 122.82 3ipk n LYS 847 Ca 0.08 0.39 -0.37 0.00 -1.05 0.00 0.00 58.31 57.35 3ipk n LYS 847 Cb 0.39 -2.18 -0.04 0.00 -0.65 0.00 0.00 35.03 32.56 3ipk n LYS 847 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3ipk s PRO 848 N -2.66 4.23 -0.45 -1.58 0.04 -1.26 -5.01 135.00 128.31 3ipk s PRO 848 Ca 0.74 1.60 -0.16 0.00 0.04 0.00 0.00 61.00 63.22 3ipk s PRO 848 Cb -0.43 -2.67 0.05 0.00 0.04 0.00 0.00 34.50 31.48 3ipk s PRO 848 CO 0.49 -0.10 0.40 0.99 0.04 0.00 0.00 177.00 178.81 3ipk s THR 849 N -1.54 5.18 0.06 1.26 2.01 -1.26 -5.06 115.64 116.29 3ipk s THR 849 Ca 0.55 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 3ipk s THR 849 Cb -0.25 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 3ipk s THR 849 CO 0.31 -0.50 0.33 -0.31 -0.69 0.00 0.00 174.62 173.77 3ipk s TYR 850 N 1.85 3.55 0.05 4.92 2.02 -1.26 -4.86 117.35 123.63 3ipk s TYR 850 Ca 0.07 0.63 0.09 0.00 -0.37 0.00 0.00 57.07 57.49 3ipk s TYR 850 Cb -0.21 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.28 3ipk s TYR 850 CO 0.09 0.54 -0.26 -1.83 -1.57 0.00 0.00 175.55 172.53 3ipk s GLU 851 N -2.04 1.72 0.24 -0.62 -1.05 -1.26 -5.12 118.70 110.57 3ipk s GLU 851 Ca 0.33 -1.10 -0.10 0.00 -0.15 0.00 0.00 54.97 53.94 3ipk s GLU 851 Cb -0.13 -1.91 -0.07 0.00 -0.44 0.00 0.00 34.13 31.57 3ipk s GLU 851 CO 0.19 0.49 0.57 0.95 0.95 0.00 0.00 175.26 178.41 3ipk s THR 852 N -0.82 4.90 0.17 1.83 -4.23 -1.26 -4.90 115.64 111.33 3ipk s THR 852 Ca 0.11 0.54 -0.25 0.00 -1.18 0.00 0.00 61.69 60.91 3ipk s THR 852 Cb -0.10 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.04 3ipk s THR 852 CO 0.02 -0.08 0.78 -1.61 -0.54 0.00 0.00 174.62 173.19 3ipk s GLU 853 N -2.82 4.55 0.16 3.99 2.02 -1.26 -5.05 118.70 120.29 3ipk s GLU 853 Ca 0.48 1.14 -0.10 0.00 0.02 0.00 0.00 54.97 56.51 3ipk s GLU 853 Cb -0.11 -3.23 -0.06 0.00 0.10 0.00 0.00 34.13 30.83 3ipk s GLU 853 CO 0.21 0.56 0.47 0.15 0.02 0.00 0.00 175.26 176.67 3ipk s LYS 854 N -1.22 3.79 0.24 1.61 1.02 -1.26 -5.06 119.74 118.85 3ipk s LYS 854 Ca 0.36 0.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.27 3ipk s LYS 854 Cb -0.23 -2.84 -0.09 0.00 -0.52 0.00 0.00 37.83 34.15 3ipk s LYS 854 CO 0.26 0.44 1.36 -1.25 -0.92 0.00 0.00 175.35 175.25 3ipk s PRO 855 N -2.38 4.33 0.50 -1.68 0.04 -1.26 -4.96 135.00 129.59 3ipk s PRO 855 Ca 0.40 2.18 -0.23 0.00 0.04 0.00 0.00 61.00 63.40 3ipk s PRO 855 Cb -0.13 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 3ipk s PRO 855 CO 0.21 -0.31 1.27 -1.17 0.04 0.00 0.00 177.00 177.03 3ipk s LEU 856 N -0.41 3.95 0.16 -3.56 2.96 -1.26 -4.98 118.68 115.54 3ipk s LEU 856 Ca 0.57 2.55 -0.30 0.00 -0.22 0.00 0.00 54.13 56.73 3ipk s LEU 856 Cb -0.39 -4.23 -0.07 0.00 0.50 0.00 0.00 46.19 41.99 3ipk s LEU 856 CO 0.42 -1.22 1.04 -0.54 -1.32 0.00 0.00 176.35 174.72 3ipk s LYS 857 N -2.77 4.65 0.27 1.98 -0.14 -1.26 -5.03 119.74 117.44 3ipk s LYS 857 Ca 0.67 1.61 -0.29 0.00 -1.36 0.00 0.00 55.97 56.59 3ipk s LYS 857 Cb -0.35 -3.31 -0.09 0.00 -1.68 0.00 0.00 37.83 32.40 3ipk s LYS 857 CO 0.42 0.16 1.13 -1.25 -0.76 0.00 0.00 175.35 175.05 3ipk s PRO 858 N -0.33 4.60 0.60 -1.68 0.04 -1.26 -4.91 135.00 132.05 3ipk s PRO 858 Ca 0.48 1.84 -0.18 0.00 0.04 0.00 0.00 61.00 63.18 3ipk s PRO 858 Cb -0.27 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 3ipk s PRO 858 CO 0.33 0.13 0.90 0.00 0.04 0.00 0.00 177.00 178.40 3ipk n ALA 859 N 1.39 -0.03 -1.76 8.56 0.00 -1.26 -4.94 120.51 122.48 3ipk n ALA 859 Ca -0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 3ipk n ALA 859 Cb 0.45 -2.07 0.03 0.00 0.00 0.00 0.00 19.45 17.86 3ipk n ALA 859 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3ipk s PRO 860 N -2.67 3.11 0.22 0.00 0.02 -1.26 -4.99 135.00 129.43 3ipk s PRO 860 Ca 0.75 1.87 -0.30 0.00 0.02 0.00 0.00 61.00 63.34 3ipk s PRO 860 Cb -0.42 -2.04 -0.08 0.00 0.02 0.00 0.00 34.50 31.98 3ipk s PRO 860 CO 0.48 -1.11 0.95 0.54 -0.33 0.00 0.00 177.00 177.53 3ipk s VAL 861 N -1.55 4.13 0.22 3.83 0.11 -1.26 -5.01 120.40 120.87 3ipk s VAL 861 Ca 0.75 2.06 -0.30 0.00 -2.93 0.00 0.00 61.98 61.56 3ipk s VAL 861 Cb -0.31 -4.31 -0.09 0.00 -1.53 0.00 0.00 36.38 30.13 3ipk s VAL 861 CO 0.35 0.46 1.38 0.00 -3.33 0.00 0.00 175.10 173.96 3ipk s ALA 862 N -0.95 3.59 0.51 1.54 0.00 -1.26 -4.98 121.76 120.20 3ipk s ALA 862 Ca 0.42 1.22 -0.20 0.00 0.00 0.00 0.00 51.96 53.41 3ipk s ALA 862 Cb -0.26 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.27 3ipk s ALA 862 CO 0.32 -0.65 1.07 -1.25 0.00 0.00 0.00 175.76 175.25 3ipk s PRO 863 N -0.15 3.62 -0.72 0.00 0.04 -1.26 -4.99 135.00 131.55 3ipk s PRO 863 Ca 0.59 1.43 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 3ipk s PRO 863 Cb -0.39 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.24 3ipk s PRO 863 CO 0.40 -0.60 0.76 -0.80 0.04 0.00 0.00 177.00 176.80 3ipk s ASN 864 N -1.96 6.45 0.19 6.66 0.01 -1.26 -5.03 114.94 119.99 3ipk s ASN 864 Ca 0.69 -2.00 -0.30 0.00 -0.71 0.00 0.00 52.86 50.53 3ipk s ASN 864 Cb -0.19 -2.27 -0.09 0.00 0.41 0.00 0.00 41.25 39.11 3ipk s ASN 864 CO 0.23 -0.89 1.36 -0.31 -1.51 0.00 0.00 177.10 175.99 3ipk s TYR 865 N 1.69 3.20 0.54 2.20 2.02 -1.26 -4.99 117.35 120.76 3ipk s TYR 865 Ca 0.16 1.10 -0.19 0.00 -0.37 0.00 0.00 57.07 57.77 3ipk s TYR 865 Cb -0.17 -3.67 -0.06 0.00 -0.40 0.00 0.00 41.96 37.65 3ipk s TYR 865 CO -0.02 -2.20 1.10 -1.83 -1.57 0.00 0.00 175.55 171.03 3ipk s GLU 866 N 0.15 3.42 0.96 -0.62 -1.05 -1.26 -5.02 118.70 115.28 3ipk s GLU 866 Ca 0.59 1.50 -0.11 0.00 -0.15 0.00 0.00 54.97 56.80 3ipk s GLU 866 Cb -0.38 -2.03 0.17 0.00 -0.44 0.00 0.00 34.13 31.45 3ipk s GLU 866 CO 0.37 -0.77 1.09 -1.59 0.95 0.00 0.00 175.26 175.31 3ipk s LYS 867 N -3.39 0.74 0.07 -4.83 -2.85 -1.26 -5.02 119.74 103.20 3ipk s LYS 867 Ca 0.70 1.06 0.00 0.00 -1.00 0.00 0.00 55.97 56.74 3ipk s LYS 867 Cb -0.21 -1.73 -0.04 0.00 -2.06 0.00 0.00 37.83 33.79 3ipk s LYS 867 CO 0.27 -2.67 0.21 -1.21 0.10 0.00 0.00 175.35 172.05 3ipk s GLU 868 N -4.74 3.41 0.81 1.78 2.02 -1.26 -5.01 118.70 115.71 3ipk s GLU 868 Ca 0.65 -0.47 -0.10 0.00 0.02 0.00 0.00 54.97 55.07 3ipk s GLU 868 Cb -0.21 -3.01 0.08 0.00 0.10 0.00 0.00 34.13 31.09 3ipk s GLU 868 CO 0.59 0.60 1.10 -1.25 0.02 0.00 0.00 175.26 176.32 3ipk s PRO 869 N -2.58 1.92 -0.08 0.39 0.04 -1.26 -5.01 135.00 128.42 3ipk s PRO 869 Ca 0.35 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 3ipk s PRO 869 Cb -0.13 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 3ipk s PRO 869 CO 0.28 -1.90 0.46 0.99 0.04 0.00 0.00 177.00 176.86 3ipk s THR 870 N -2.85 5.12 0.56 1.26 2.01 -1.26 -5.02 115.64 115.46 3ipk s THR 870 Ca 0.63 0.92 -0.21 0.00 0.31 0.00 0.00 61.69 63.34 3ipk s THR 870 Cb -0.18 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3ipk s THR 870 CO 0.57 0.41 1.34 -2.65 -0.69 0.00 0.00 174.62 173.59 3ipk n PRO 871 N 3.07 1.59 -2.37 4.92 -0.02 -1.26 -4.99 135.00 135.93 3ipk n PRO 871 Ca -0.09 0.59 -0.27 0.00 -2.02 0.00 0.00 63.50 61.70 3ipk n PRO 871 Cb 0.52 -2.55 0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3ipk n PRO 871 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ipk s PRO 872 N -2.94 3.04 0.17 0.52 0.04 -1.26 -5.10 135.00 129.46 3ipk s PRO 872 Ca 0.73 0.10 0.08 0.00 0.04 0.00 0.00 61.00 61.95 3ipk s PRO 872 Cb -0.41 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 3ipk s PRO 872 CO 0.48 -0.65 -0.16 0.95 0.04 0.00 0.00 177.00 177.66 3ipk s THR 873 N -2.99 1.71 -2.00 1.26 -4.23 -1.26 -5.02 115.64 103.11 3ipk s THR 873 Ca 0.53 -1.96 0.13 0.00 -1.18 0.00 0.00 61.69 59.21 3ipk s THR 873 Cb -0.11 -1.84 0.37 0.00 1.34 0.00 0.00 72.50 72.26 3ipk s THR 873 CO 0.46 -0.41 1.20 0.54 -0.54 0.00 0.00 174.62 175.87