#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 1.26 -0.00 0.00 0.00 -2.05 -0.23 119.26 118.24 3ipk h ALA 387 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 3ipk h ALA 387 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3ipk h ALA 387 CO 0.00 0.50 -0.79 -0.91 0.00 0.00 0.00 179.25 178.05 3ipk h ASN 388 N 0.60 0.06 0.18 0.00 2.35 -2.00 -2.00 115.58 114.78 3ipk h ASN 388 Ca 0.12 -0.05 -0.22 0.00 -0.55 0.00 0.00 56.30 55.61 3ipk h ASN 388 Cb 0.38 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3ipk h ASN 388 CO 0.01 0.82 -0.86 -0.08 -1.65 0.00 0.00 177.43 175.68 3ipk h GLU 389 N 0.03 0.52 -0.43 0.81 4.57 -1.87 -1.40 114.58 116.80 3ipk h GLU 389 Ca -0.02 -0.49 -0.07 0.00 -1.18 0.00 0.00 59.36 57.61 3ipk h GLU 389 Cb 1.39 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 30.08 3ipk h GLU 389 CO 0.11 1.12 0.01 0.00 -1.18 0.00 0.00 179.01 179.06 3ipk h ALA 390 N 0.72 0.58 -0.53 2.92 0.00 -1.02 0.15 119.26 122.09 3ipk h ALA 390 Ca -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3ipk h ALA 390 Cb 1.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3ipk h ALA 390 CO 0.16 0.37 0.24 0.22 0.00 0.00 0.00 179.25 180.24 3ipk h ASP 391 N 0.60 0.70 -0.37 0.00 3.58 -1.34 -1.05 116.42 118.55 3ipk h ASP 391 Ca 0.12 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 3ipk h ASP 391 Cb 0.48 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 3ipk h ASP 391 CO 0.02 0.65 0.23 0.22 -2.88 0.00 0.00 179.24 177.47 3ipk h TYR 392 N 0.71 0.48 -0.45 0.28 3.20 -0.98 -1.78 116.97 118.42 3ipk h TYR 392 Ca 0.18 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3ipk h TYR 392 Cb 0.14 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3ipk h TYR 392 CO -0.00 0.33 0.11 1.96 -1.64 0.00 0.00 178.16 178.92 3ipk h GLN 393 N 0.49 0.67 -0.56 1.82 1.08 -0.71 0.45 115.11 118.35 3ipk h GLN 393 Ca 0.13 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3ipk h GLN 393 Cb -0.01 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.28 3ipk h GLN 393 CO -0.03 0.61 0.26 0.00 -0.95 0.00 0.00 178.83 178.73 3ipk h ALA 394 N 1.47 0.72 -0.56 3.87 0.00 -0.75 -1.34 119.26 122.66 3ipk h ALA 394 Ca 0.15 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3ipk h ALA 394 Cb 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ipk h ALA 394 CO -0.00 0.29 -0.07 0.87 0.00 0.00 0.00 179.25 180.33 3ipk h LYS 395 N 0.75 1.04 -0.01 0.00 1.57 -0.67 -2.67 116.57 116.59 3ipk h LYS 395 Ca 0.19 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3ipk h LYS 395 Cb 0.13 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3ipk h LYS 395 CO -0.02 1.06 0.00 1.25 -0.57 0.00 0.00 179.45 181.17 3ipk h LEU 396 N 0.93 0.01 -0.69 2.94 5.85 -0.64 0.23 115.31 123.94 3ipk h LEU 396 Ca 0.15 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3ipk h LEU 396 Cb 0.63 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 3ipk h LEU 396 CO 0.04 0.17 0.43 0.74 -0.34 0.00 0.00 178.44 179.48 3ipk h THR 397 N -0.14 1.10 -0.54 1.05 2.02 -1.26 -0.53 112.91 114.61 3ipk h THR 397 Ca 0.00 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 3ipk h THR 397 Cb 0.16 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3ipk h THR 397 CO -0.00 0.15 -0.02 0.00 0.37 0.00 0.00 175.52 176.03 3ipk h ALA 398 N 1.29 0.72 -0.61 6.16 0.00 -1.37 -2.70 119.26 122.76 3ipk h ALA 398 Ca 0.27 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ipk h ALA 398 Cb 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3ipk h ALA 398 CO -0.10 0.56 0.37 -0.92 0.00 0.00 0.00 179.25 179.16 3ipk h TYR 399 N 0.83 0.70 -0.90 0.00 3.20 -0.43 -1.80 116.97 118.56 3ipk h TYR 399 Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3ipk h TYR 399 Cb 0.56 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 3ipk h TYR 399 CO 0.04 0.40 0.51 1.96 -1.64 0.00 0.00 178.16 179.43 3ipk h GLN 400 N 0.74 1.25 -0.31 1.82 4.20 -0.90 0.25 115.11 122.15 3ipk h GLN 400 Ca 0.24 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 3ipk h GLN 400 Cb 0.02 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 3ipk h GLN 400 CO -0.10 0.90 -0.39 1.79 -0.67 0.00 0.00 178.83 180.37 3ipk h THR 401 N 1.26 1.29 -0.40 -0.54 1.35 -1.16 -1.12 112.91 113.58 3ipk h THR 401 Ca 0.32 -1.56 -0.13 0.00 -0.55 0.00 0.00 66.41 64.50 3ipk h THR 401 Cb 0.00 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 3ipk h THR 401 CO -0.05 0.51 -0.25 -0.08 -0.25 0.00 0.00 175.52 175.39 3ipk h GLU 402 N 0.60 0.87 -0.41 4.72 4.57 -0.83 -2.24 114.58 121.86 3ipk h GLU 402 Ca 0.05 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 57.81 3ipk h GLU 402 Cb 0.93 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3ipk h GLU 402 CO 0.08 1.05 0.18 1.25 -1.18 0.00 0.00 179.01 180.39 3ipk h LEU 403 N 0.68 0.56 -0.73 1.64 5.85 -0.43 -1.58 115.31 121.29 3ipk h LEU 403 Ca 0.08 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3ipk h LEU 403 Cb 0.82 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 3ipk h LEU 403 CO 0.07 0.56 0.43 0.00 -0.34 0.00 0.00 178.44 179.15 3ipk h ALA 404 N 1.02 0.99 0.07 1.25 0.00 -1.12 -0.05 119.26 121.42 3ipk h ALA 404 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ipk h ALA 404 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ipk h ALA 404 CO -0.01 0.13 -0.03 -0.09 0.00 0.00 0.00 179.25 179.24 3ipk h ARG 405 N 0.78 -0.09 -0.63 0.00 2.43 -1.05 -1.76 114.38 114.05 3ipk h ARG 405 Ca 0.32 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 3ipk h ARG 405 Cb 0.18 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3ipk h ARG 405 CO -0.18 0.08 0.35 0.28 -1.51 0.00 0.00 179.97 178.99 3ipk h VAL 406 N -0.25 1.20 -0.61 0.20 2.07 -0.99 -1.46 116.25 116.40 3ipk h VAL 406 Ca -0.01 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3ipk h VAL 406 Cb 0.22 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3ipk h VAL 406 CO 0.02 0.21 0.23 1.56 0.02 0.00 0.00 177.57 179.61 3ipk h GLN 407 N 0.86 0.93 -0.83 1.57 4.20 -0.99 -0.40 115.11 120.45 3ipk h GLN 407 Ca 0.22 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3ipk h GLN 407 Cb 0.03 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 3ipk h GLN 407 CO -0.04 0.80 0.39 -0.22 -0.67 0.00 0.00 178.83 179.09 3ipk h LYS 408 N 0.86 1.20 0.01 1.46 3.64 -1.04 0.11 116.57 122.81 3ipk h LYS 408 Ca 0.20 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3ipk h LYS 408 Cb 0.23 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3ipk h LYS 408 CO -0.01 0.93 -0.01 0.00 -2.27 0.00 0.00 179.45 178.09 3ipk h ALA 409 N 1.21 -0.02 -0.51 5.00 0.00 -0.95 -1.99 119.26 122.00 3ipk h ALA 409 Ca 0.28 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ipk h ALA 409 Cb 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ipk h ALA 409 CO -0.03 -0.33 0.13 -0.91 0.00 0.00 0.00 179.25 178.11 3ipk h ASN 410 N -0.38 0.71 -0.60 0.00 2.35 -0.95 -0.56 115.58 116.15 3ipk h ASN 410 Ca -0.00 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 3ipk h ASN 410 Cb 0.37 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3ipk h ASN 410 CO 0.00 0.70 0.26 0.00 -1.65 0.00 0.00 177.43 176.74 3ipk h ALA 411 N 1.40 0.78 -0.10 -0.83 0.00 -0.73 0.21 119.26 119.99 3ipk h ALA 411 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ipk h ALA 411 Cb 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ipk h ALA 411 CO -0.00 0.38 0.02 0.22 0.00 0.00 0.00 179.25 179.87 3ipk h ASP 412 N 0.84 0.15 -0.88 0.00 1.82 -0.88 -0.73 116.42 116.74 3ipk h ASP 412 Ca 0.20 -0.24 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 3ipk h ASP 412 Cb 0.17 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 3ipk h ASP 412 CO -0.02 0.36 0.53 0.00 -1.61 0.00 0.00 179.24 178.50 3ipk h ALA 413 N 0.80 1.12 -0.54 -0.78 0.00 -0.91 -1.40 119.26 117.55 3ipk h ALA 413 Ca 0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3ipk h ALA 413 Cb 0.26 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ipk h ALA 413 CO 0.00 0.58 -0.05 -0.22 0.00 0.00 0.00 179.25 179.57 3ipk h LYS 414 N 1.21 0.96 -0.57 0.00 3.64 -0.45 -1.44 116.57 119.92 3ipk h LYS 414 Ca 0.32 -0.31 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3ipk h LYS 414 Cb -0.05 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3ipk h LYS 414 CO -0.06 0.98 -0.04 0.00 -2.27 0.00 0.00 179.45 178.05 3ipk h ALA 415 N 1.06 0.83 -0.52 5.00 0.00 -0.73 -0.46 119.26 124.43 3ipk h ALA 415 Ca 0.15 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3ipk h ALA 415 Cb 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ipk h ALA 415 CO 0.03 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.90 3ipk h ALA 416 N 1.00 0.92 -0.06 0.00 0.00 -1.05 -2.12 119.26 117.94 3ipk h ALA 416 Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3ipk h ALA 416 Cb 0.60 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ipk h ALA 416 CO 0.04 0.64 -0.06 -0.92 0.00 0.00 0.00 179.25 178.95 3ipk h TYR 417 N 0.85 0.17 0.00 0.00 3.20 -1.05 -2.11 116.97 118.04 3ipk h TYR 417 Ca 0.15 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3ipk h TYR 417 Cb 0.57 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 3ipk h TYR 417 CO 0.04 0.59 -0.11 0.93 -1.64 0.00 0.00 178.16 177.97 3ipk h GLU 418 N -0.29 0.00 -0.06 1.82 5.08 -1.07 0.13 114.58 120.19 3ipk h GLU 418 Ca 0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3ipk h GLU 418 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3ipk h GLU 418 CO 0.01 0.11 -0.20 0.00 -1.00 0.00 0.00 179.01 177.93 3ipk h ALA 419 N 1.89 0.11 -0.42 3.43 0.00 -1.31 -2.57 119.26 120.39 3ipk h ALA 419 Ca -0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3ipk h ALA 419 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ipk h ALA 419 CO 0.01 0.07 -0.05 0.00 0.00 0.00 0.00 179.25 179.28 3ipk h ALA 420 N 0.43 1.12 -0.40 0.00 0.00 -0.85 0.66 119.26 120.22 3ipk h ALA 420 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3ipk h ALA 420 Cb 0.83 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3ipk h ALA 420 CO 0.04 0.56 0.18 0.28 0.00 0.00 0.00 179.25 180.31 3ipk h VAL 421 N 0.66 1.18 -0.02 0.00 2.07 -0.78 0.10 116.25 119.47 3ipk h VAL 421 Ca 0.12 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3ipk h VAL 421 Cb 0.49 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3ipk h VAL 421 CO 0.03 0.20 -0.01 0.00 0.02 0.00 0.00 177.57 177.80 3ipk h ALA 422 N 1.03 0.03 -0.78 1.67 0.00 -1.23 -2.56 119.26 117.41 3ipk h ALA 422 Ca 0.14 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.93 3ipk h ALA 422 Cb 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3ipk h ALA 422 CO -0.01 -0.23 0.51 0.00 0.00 0.00 0.00 179.25 179.51 3ipk h ALA 423 N 0.56 1.89 -0.14 0.00 0.00 -0.77 -0.79 119.26 120.01 3ipk h ALA 423 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ipk h ALA 423 Cb 0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ipk h ALA 423 CO 0.00 -0.07 -0.05 -0.97 0.00 0.00 0.00 179.25 178.16 3ipk h ASN 424 N 0.61 0.29 -0.96 0.00 -1.24 -0.70 0.54 115.58 114.12 3ipk h ASN 424 Ca 0.37 -0.40 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 3ipk h ASN 424 Cb 0.61 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.53 3ipk h ASN 424 CO -0.14 0.62 0.60 0.78 -1.29 0.00 0.00 177.43 178.00 3ipk h ASN 425 N -0.04 1.14 -0.16 1.15 2.35 -0.95 0.08 115.58 119.15 3ipk h ASN 425 Ca 0.03 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3ipk h ASN 425 Cb 0.50 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3ipk h ASN 425 CO 0.02 0.86 -0.00 0.00 -1.65 0.00 0.00 177.43 176.65 3ipk h ALA 426 N 1.34 0.22 -0.74 -0.83 0.00 -1.07 -0.31 119.26 117.88 3ipk h ALA 426 Ca 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ipk h ALA 426 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3ipk h ALA 426 CO -0.07 -0.07 0.33 0.00 0.00 0.00 0.00 179.25 179.44 3ipk h ALA 427 N 0.77 0.95 -0.20 0.00 0.00 -0.55 -1.64 119.26 118.59 3ipk h ALA 427 Ca 0.05 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 3ipk h ALA 427 Cb 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ipk h ALA 427 CO 0.01 0.54 -0.64 -0.91 0.00 0.00 0.00 179.25 178.24 3ipk h ASN 428 N 1.04 0.82 -0.23 0.00 2.35 -0.96 -2.07 115.58 116.53 3ipk h ASN 428 Ca 0.25 -0.48 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 3ipk h ASN 428 Cb 0.15 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3ipk h ASN 428 CO -0.03 1.25 0.12 0.00 -1.65 0.00 0.00 177.43 177.13 3ipk h ALA 429 N 0.75 1.71 0.20 -0.83 0.00 -0.84 -0.91 119.26 119.34 3ipk h ALA 429 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ipk h ALA 429 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ipk h ALA 429 CO 0.13 0.24 -0.09 0.00 0.00 0.00 0.00 179.25 179.53 3ipk h ALA 430 N 1.76 -0.26 -0.49 0.00 0.00 -1.10 -2.57 119.26 116.60 3ipk h ALA 430 Ca 0.10 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3ipk h ALA 430 Cb 0.06 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 3ipk h ALA 430 CO -0.01 -0.39 0.04 -0.07 0.00 0.00 0.00 179.25 178.82 3ipk h LEU 431 N -0.78 -0.13 -0.90 0.00 4.07 -1.07 0.37 115.31 116.87 3ipk h LEU 431 Ca -0.03 0.11 0.05 0.00 0.08 0.00 0.00 57.88 58.09 3ipk h LEU 431 Cb 0.51 0.18 -0.06 0.00 1.08 0.00 0.00 40.66 42.37 3ipk h LEU 431 CO 0.04 -0.04 0.58 0.71 -1.08 0.00 0.00 178.44 178.65 3ipk h THR 432 N 0.16 1.10 -0.19 0.22 1.35 -1.23 0.67 112.91 114.99 3ipk h THR 432 Ca 0.25 -0.37 -0.14 0.00 -0.55 0.00 0.00 66.41 65.60 3ipk h THR 432 Cb 0.36 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.70 3ipk h THR 432 CO -0.38 0.20 -0.48 0.00 -0.25 0.00 0.00 175.52 174.61 3ipk h ALA 433 N 1.40 0.82 -0.05 6.62 0.00 -0.76 -3.07 119.26 124.22 3ipk h ALA 433 Ca 0.38 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 3ipk h ALA 433 Cb 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ipk h ALA 433 CO -0.15 0.66 -0.80 1.49 0.00 0.00 0.00 179.25 180.46 3ipk h GLU 434 N 0.39 0.63 -0.51 0.00 4.57 0.81 -3.11 114.58 117.35 3ipk h GLU 434 Ca 0.02 -0.61 0.10 0.00 -1.18 0.00 0.00 59.36 57.69 3ipk h GLU 434 Cb 0.98 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 3ipk h GLU 434 CO 0.09 1.22 0.35 -0.91 -1.18 0.00 0.00 179.01 178.58 3ipk h ASN 435 N 0.27 0.24 0.83 1.04 2.35 0.30 0.60 115.58 121.21 3ipk h ASN 435 Ca -0.08 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 3ipk h ASN 435 Cb 1.46 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.77 3ipk h ASN 435 CO 0.16 0.14 -0.27 0.74 -1.65 0.00 0.00 177.43 176.56 3ipk h THR 436 N 0.26 0.68 0.06 2.81 2.02 -1.48 0.20 112.91 117.46 3ipk h THR 436 Ca 0.24 -1.19 -0.25 0.00 0.77 0.00 0.00 66.41 65.98 3ipk h THR 436 Cb 0.59 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3ipk h THR 436 CO -0.05 0.26 -1.08 0.00 0.37 0.00 0.00 175.52 175.02 3ipk h ALA 437 N 1.73 0.25 -0.14 6.16 0.00 0.18 -2.76 119.26 124.68 3ipk h ALA 437 Ca -0.00 -0.79 -0.19 0.00 0.00 0.00 0.00 54.91 53.93 3ipk h ALA 437 Cb 0.75 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ipk h ALA 437 CO 0.03 0.89 -0.67 0.82 0.00 0.00 0.00 179.25 180.32 3ipk h ILE 438 N 0.15 1.33 -0.37 0.00 5.03 -0.52 -2.46 117.51 120.67 3ipk h ILE 438 Ca -0.10 -1.97 -0.01 0.00 -0.12 0.00 0.00 64.86 62.66 3ipk h ILE 438 Cb 1.75 1.94 -0.02 0.00 -3.03 0.00 0.00 36.82 37.47 3ipk h ILE 438 CO 0.18 0.61 0.18 0.50 -0.68 0.00 0.00 178.15 178.93 3ipk h LYS 439 N 0.41 0.54 -0.37 2.37 3.64 -0.64 -1.07 116.57 121.45 3ipk h LYS 439 Ca -0.02 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 3ipk h LYS 439 Cb 1.25 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3ipk h LYS 439 CO 0.13 0.48 0.05 -0.22 -2.27 0.00 0.00 179.45 177.62 3ipk h LYS 440 N 0.46 0.63 -0.58 1.90 3.64 -1.50 -1.71 116.57 119.41 3ipk h LYS 440 Ca 0.13 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3ipk h LYS 440 Cb 0.12 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3ipk h LYS 440 CO -0.02 0.70 0.26 0.00 -2.27 0.00 0.00 179.45 178.13 3ipk h ARG 441 N 0.46 0.82 0.46 1.90 3.08 -1.29 -0.34 114.38 119.48 3ipk h ARG 441 Ca 0.11 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ipk h ARG 441 Cb 0.38 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3ipk h ARG 441 CO 0.01 0.65 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.43 3ipk h ASN 442 N 0.82 -0.53 -0.82 7.04 2.35 -1.00 -2.18 115.58 121.26 3ipk h ASN 442 Ca 0.20 -0.04 0.15 0.00 -0.55 0.00 0.00 56.30 56.06 3ipk h ASN 442 Cb 0.11 0.14 -0.10 0.00 0.05 0.00 0.00 38.32 38.52 3ipk h ASN 442 CO -0.02 -0.11 0.39 0.00 -1.65 0.00 0.00 177.43 176.04 3ipk h ALA 443 N -0.99 1.21 0.05 -0.83 0.00 -1.29 0.14 119.26 117.54 3ipk h ALA 443 Ca -0.06 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3ipk h ALA 443 Cb 0.53 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3ipk h ALA 443 CO 0.10 -0.15 -0.26 0.22 0.00 0.00 0.00 179.25 179.17 3ipk h ASP 444 N 0.55 -0.74 0.27 0.00 1.82 -1.08 -1.54 116.42 115.69 3ipk h ASP 444 Ca 0.45 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 57.15 3ipk h ASP 444 Cb 0.67 0.29 -0.01 0.00 0.68 0.00 0.00 39.33 40.97 3ipk h ASP 444 CO -0.39 -0.33 -0.19 0.00 -1.61 0.00 0.00 179.24 176.72 3ipk h ALA 445 N 0.36 1.51 -0.04 -0.78 0.00 -0.44 -2.57 119.26 117.31 3ipk h ALA 445 Ca 0.05 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 3ipk h ALA 445 Cb 0.48 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ipk h ALA 445 CO -0.19 0.24 -0.72 -0.22 0.00 0.00 0.00 179.25 178.35 3ipk h LYS 446 N 0.00 0.21 -0.07 0.00 3.64 -0.14 -2.35 116.57 117.85 3ipk h LYS 446 Ca -0.00 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 3ipk h LYS 446 Cb 0.38 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3ipk h LYS 446 CO 0.02 0.84 -0.03 0.00 -2.27 0.00 0.00 179.45 178.02 3ipk h ALA 447 N 1.11 0.10 -0.59 5.00 0.00 -0.91 -1.09 119.26 122.88 3ipk h ALA 447 Ca -0.02 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3ipk h ALA 447 Cb 1.28 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3ipk h ALA 447 CO 0.11 -0.17 0.35 -0.44 0.00 0.00 0.00 179.25 179.10 3ipk h ASP 448 N -0.23 0.55 0.56 0.00 3.32 -1.51 0.86 116.42 119.97 3ipk h ASP 448 Ca 0.02 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3ipk h ASP 448 Cb 0.45 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.90 3ipk h ASP 448 CO 0.01 0.38 -0.27 0.22 -1.72 0.00 0.00 179.24 177.86 3ipk h TYR 449 N 0.67 -0.69 -0.13 4.55 3.20 -1.37 -0.41 116.97 122.79 3ipk h TYR 449 Ca 0.24 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.11 3ipk h TYR 449 Cb 0.06 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3ipk h TYR 449 CO -0.07 -0.41 0.09 0.93 -1.64 0.00 0.00 178.16 177.07 3ipk h GLU 450 N -0.81 0.11 0.17 1.82 5.08 -1.05 0.21 114.58 120.13 3ipk h GLU 450 Ca -0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3ipk h GLU 450 Cb 0.60 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3ipk h GLU 450 CO 0.13 0.08 -0.08 0.00 -1.00 0.00 0.00 179.01 178.13 3ipk h ALA 451 N 1.92 -0.23 0.00 3.43 0.00 -0.48 -1.95 119.26 121.95 3ipk h ALA 451 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ipk h ALA 451 Cb 0.07 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ipk h ALA 451 CO -0.01 -0.48 -0.06 0.87 0.00 0.00 0.00 179.25 179.57 3ipk h LYS 452 N -0.54 0.00 0.00 0.00 1.57 -0.34 -1.38 116.57 115.88 3ipk h LYS 452 Ca -0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3ipk h LYS 452 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3ipk h LYS 452 CO 0.04 0.06 -0.64 1.25 -0.57 0.00 0.00 179.45 179.58 3ipk h LEU 453 N 0.00 0.00 -0.29 2.94 5.85 -0.33 -1.55 115.31 121.93 3ipk h LEU 453 Ca -0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.51 3ipk h LEU 453 Cb 0.40 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ipk h LEU 453 CO 0.01 0.64 -0.83 0.00 -0.34 0.00 0.00 178.44 177.92 3ipk h ALA 454 N 1.36 0.48 -0.14 1.25 0.00 -0.48 -2.31 119.26 119.42 3ipk h ALA 454 Ca -0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 3ipk h ALA 454 Cb 1.17 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ipk h ALA 454 CO 0.08 0.78 -0.11 -0.22 0.00 0.00 0.00 179.25 179.78 3ipk h LYS 455 N 0.27 0.33 -0.99 0.00 3.64 -1.29 -2.57 116.57 115.96 3ipk h LYS 455 Ca -0.05 -0.16 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 3ipk h LYS 455 Cb 1.43 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.20 3ipk h LYS 455 CO 0.14 0.69 0.65 -0.92 -2.27 0.00 0.00 179.45 177.75 3ipk h TYR 456 N -0.04 1.23 -0.25 1.91 3.20 -1.33 0.11 116.97 121.81 3ipk h TYR 456 Ca 0.03 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3ipk h TYR 456 Cb 0.62 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3ipk h TYR 456 CO 0.08 0.74 0.04 0.37 -1.64 0.00 0.00 178.16 177.74 3ipk h GLN 457 N 1.29 0.35 0.16 1.82 4.15 -1.34 0.21 115.11 121.76 3ipk h GLN 457 Ca 0.38 -0.05 -0.29 0.00 0.77 0.00 0.00 58.65 59.46 3ipk h GLN 457 Cb -0.07 -0.06 0.02 0.00 0.21 0.00 0.00 27.48 27.57 3ipk h GLN 457 CO -0.10 0.35 -1.30 0.00 -1.93 0.00 0.00 178.83 175.85 3ipk h ALA 458 N 1.70 0.02 -0.23 3.38 0.00 -0.79 -3.03 119.26 120.31 3ipk h ALA 458 Ca 0.08 -0.87 -0.14 0.00 0.00 0.00 0.00 54.91 53.99 3ipk h ALA 458 Cb 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ipk h ALA 458 CO -0.00 0.88 -0.43 -0.44 0.00 0.00 0.00 179.25 179.26 3ipk h ASP 459 N 0.11 0.60 -0.29 0.00 3.32 -0.23 -2.52 116.42 117.41 3ipk h ASP 459 Ca -0.17 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3ipk h ASP 459 Cb 2.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.39 3ipk h ASP 459 CO 0.23 0.95 0.07 0.25 -1.72 0.00 0.00 179.24 179.02 3ipk h LEU 460 N 0.46 0.44 -1.18 1.55 5.85 -0.68 -0.17 115.31 121.58 3ipk h LEU 460 Ca 0.03 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.62 3ipk h LEU 460 Cb 0.94 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 3ipk h LEU 460 CO 0.08 0.56 0.58 0.00 -0.34 0.00 0.00 178.44 179.32 3ipk h ALA 461 N 0.90 1.62 -0.21 1.25 0.00 -1.41 0.88 119.26 122.28 3ipk h ALA 461 Ca 0.09 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ipk h ALA 461 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ipk h ALA 461 CO 0.00 0.20 -0.04 -0.22 0.00 0.00 0.00 179.25 179.19 3ipk h LYS 462 N 0.91 0.39 0.00 0.00 1.63 -1.00 -2.41 116.57 116.09 3ipk h LYS 462 Ca 0.42 -0.14 0.03 0.00 -0.85 0.00 0.00 60.65 60.11 3ipk h LYS 462 Cb 0.40 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 3ipk h LYS 462 CO -0.18 0.63 -0.21 -0.92 -3.45 0.00 0.00 179.45 175.31 3ipk h TYR 463 N 0.12 -0.55 -0.78 1.91 3.20 0.33 -1.29 116.97 119.92 3ipk h TYR 463 Ca 0.05 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.06 3ipk h TYR 463 Cb 0.47 0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.91 3ipk h TYR 463 CO 0.05 -0.30 0.40 0.37 -1.64 0.00 0.00 178.16 177.04 3ipk h GLN 464 N -0.33 0.62 0.38 1.82 5.75 -0.88 0.11 115.11 122.58 3ipk h GLN 464 Ca 0.06 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 3ipk h GLN 464 Cb 0.41 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.82 3ipk h GLN 464 CO -0.19 0.41 -0.21 -0.22 -2.65 0.00 0.00 178.83 175.97 3ipk h LYS 465 N 0.63 -0.53 -0.11 1.69 3.64 -0.87 -1.43 116.57 119.60 3ipk h LYS 465 Ca 0.40 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.75 3ipk h LYS 465 Cb 0.47 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3ipk h LYS 465 CO -0.30 -0.35 -0.22 -0.44 -2.27 0.00 0.00 179.45 175.86 3ipk h ASP 466 N -0.55 0.19 0.15 4.20 3.32 -0.78 -1.77 116.42 121.18 3ipk h ASP 466 Ca -0.05 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.83 3ipk h ASP 466 Cb 0.44 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3ipk h ASP 466 CO 0.07 0.43 -0.43 0.25 -1.72 0.00 0.00 179.24 177.84 3ipk h LEU 467 N 0.18 0.38 -0.01 1.55 5.85 -0.62 0.77 115.31 123.42 3ipk h LEU 467 Ca 0.03 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3ipk h LEU 467 Cb 0.50 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ipk h LEU 467 CO 0.03 0.76 0.00 0.00 -0.34 0.00 0.00 178.44 178.90 3ipk h ALA 468 N 1.26 1.00 0.00 1.25 0.00 -0.78 -3.25 119.26 118.73 3ipk h ALA 468 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ipk h ALA 468 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ipk h ALA 468 CO 0.07 0.00 -1.64 -0.25 0.00 0.00 0.00 179.25 177.44 3ipk n ASP 469 N -2.94 0.31 -0.07 0.00 8.00 -0.71 -4.50 116.55 116.64 3ipk n ASP 469 Ca 0.04 -0.16 -0.09 0.00 0.71 0.00 0.00 54.79 55.29 3ipk n ASP 469 Cb 0.51 1.56 -0.02 0.00 -0.02 0.00 0.00 41.12 43.15 3ipk n ASP 469 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3ipk h TYR 470 N 0.00 -0.87 -0.73 1.24 3.20 -0.88 -1.39 116.97 117.54 3ipk h TYR 470 Ca 0.00 0.05 0.13 0.00 3.14 0.00 0.00 58.73 62.05 3ipk h TYR 470 Cb 0.89 0.43 -0.09 0.00 1.54 0.00 0.00 36.73 39.50 3ipk h TYR 470 CO 0.00 -0.38 0.30 -1.35 -1.64 0.00 0.00 178.16 175.09 3ipk h PRO 471 N -0.30 0.45 -0.02 1.82 0.11 -1.79 0.47 132.00 132.75 3ipk h PRO 471 Ca 0.14 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 3ipk h PRO 471 Cb 0.53 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3ipk h PRO 471 CO -0.46 0.30 0.01 0.28 -0.21 0.00 0.00 178.00 177.91 3ipk h VAL 472 N 0.47 1.16 -0.27 3.15 2.07 -1.65 -2.05 116.25 119.13 3ipk h VAL 472 Ca 0.39 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3ipk h VAL 472 Cb 0.54 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3ipk h VAL 472 CO -0.37 0.12 0.10 0.11 0.02 0.00 0.00 177.57 177.56 3ipk h LYS 473 N -0.16 0.41 -0.64 1.57 1.57 -0.88 -2.11 116.57 116.33 3ipk h LYS 473 Ca 0.01 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3ipk h LYS 473 Cb 0.19 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 3ipk h LYS 473 CO -0.00 0.45 0.36 1.25 -0.57 0.00 0.00 179.45 180.94 3ipk h LEU 474 N 0.28 0.55 -0.27 2.94 5.85 -0.92 -0.29 115.31 123.45 3ipk h LEU 474 Ca 0.09 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ipk h LEU 474 Cb 0.20 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3ipk h LEU 474 CO -0.01 0.37 0.16 0.50 -0.34 0.00 0.00 178.44 179.13 3ipk h LYS 475 N 0.69 0.37 -0.88 1.25 1.63 -1.24 -0.14 116.57 118.24 3ipk h LYS 475 Ca 0.28 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 60.08 3ipk h LYS 475 Cb 0.13 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.63 3ipk h LYS 475 CO -0.16 0.29 0.57 0.00 -3.45 0.00 0.00 179.45 176.70 3ipk h ALA 476 N 1.06 1.17 0.80 5.00 0.00 -0.84 0.46 119.26 126.90 3ipk h ALA 476 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ipk h ALA 476 Cb 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.52 3ipk h ALA 476 CO -0.02 0.40 -0.38 -0.92 0.00 0.00 0.00 179.25 178.33 3ipk h TYR 477 N 1.09 -0.99 -0.70 0.00 3.20 -0.46 -1.75 116.97 117.36 3ipk h TYR 477 Ca 0.36 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.27 3ipk h TYR 477 Cb 0.03 0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3ipk h TYR 477 CO -0.02 -0.60 0.46 0.93 -1.64 0.00 0.00 178.16 177.29 3ipk h GLU 478 N -1.19 0.69 -0.37 1.82 5.08 -0.90 0.37 114.58 120.08 3ipk h GLU 478 Ca -0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3ipk h GLU 478 Cb 0.83 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3ipk h GLU 478 CO 0.18 0.46 0.18 -0.44 -1.00 0.00 0.00 179.01 178.38 3ipk h ASP 479 N 0.71 0.48 -0.28 1.42 5.19 -0.79 -1.20 116.42 121.95 3ipk h ASP 479 Ca 0.30 -0.13 -0.15 0.00 -0.62 0.00 0.00 57.03 56.44 3ipk h ASP 479 Cb 0.28 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3ipk h ASP 479 CO -0.10 0.48 -0.38 -0.08 -3.12 0.00 0.00 179.24 176.03 3ipk h GLU 480 N 0.46 0.82 -0.83 3.56 4.81 -0.50 -2.43 114.58 120.47 3ipk h GLU 480 Ca 0.13 -0.42 0.02 0.00 -0.13 0.00 0.00 59.36 58.95 3ipk h GLU 480 Cb 0.12 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 3ipk h GLU 480 CO -0.02 1.06 0.54 1.96 -0.73 0.00 0.00 179.01 181.83 3ipk h GLN 481 N 0.67 1.06 -0.40 1.92 1.08 -0.76 0.29 115.11 118.98 3ipk h GLN 481 Ca 0.06 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3ipk h GLN 481 Cb 0.95 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 28.12 3ipk h GLN 481 CO 0.09 0.70 0.24 1.15 -0.95 0.00 0.00 178.83 180.06 3ipk h THR 482 N 1.09 1.13 -0.65 -0.54 2.02 -1.08 -0.46 112.91 114.43 3ipk h THR 482 Ca 0.31 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 3ipk h THR 482 Cb -0.08 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3ipk h THR 482 CO -0.08 0.13 0.33 -1.28 0.37 0.00 0.00 175.52 174.99 3ipk h SER 483 N 0.53 0.84 0.26 4.18 0.87 -0.85 -2.11 113.55 117.28 3ipk h SER 483 Ca 0.14 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3ipk h SER 483 Cb 0.00 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 3ipk h SER 483 CO -0.03 0.72 -0.13 0.40 -0.53 0.00 0.00 176.83 177.27 3ipk h ILE 484 N 0.90 0.75 -0.45 2.23 1.08 -0.03 -1.21 117.51 120.77 3ipk h ILE 484 Ca 0.23 -0.03 0.09 0.00 -0.39 0.00 0.00 64.86 64.76 3ipk h ILE 484 Cb 0.09 0.76 -0.09 0.00 -3.07 0.00 0.00 36.82 34.51 3ipk h ILE 484 CO -0.03 0.01 -0.14 0.11 -0.69 0.00 0.00 178.15 177.41 3ipk h LYS 485 N -0.37 -0.03 -0.47 2.37 1.57 -0.94 0.39 116.57 119.08 3ipk h LYS 485 Ca -0.04 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3ipk h LYS 485 Cb 0.28 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 3ipk h LYS 485 CO 0.06 -0.02 0.16 0.00 -0.57 0.00 0.00 179.45 179.07 3ipk h ALA 486 N 1.38 0.57 -0.66 3.86 0.00 -1.13 0.30 119.26 123.58 3ipk h ALA 486 Ca 0.22 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3ipk h ALA 486 Cb 0.36 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3ipk h ALA 486 CO -0.48 -0.24 0.34 0.00 0.00 0.00 0.00 179.25 178.87 3ipk h ALA 487 N 1.32 0.85 -0.28 0.00 0.00 -0.03 -1.96 119.26 119.16 3ipk h ALA 487 Ca 0.23 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ipk h ALA 487 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ipk h ALA 487 CO -0.24 0.38 -0.17 -0.07 0.00 0.00 0.00 179.25 179.15 3ipk h LEU 488 N 0.90 0.49 -1.03 0.00 4.07 -0.35 -0.65 115.31 118.75 3ipk h LEU 488 Ca 0.23 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 3ipk h LEU 488 Cb 0.07 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 3ipk h LEU 488 CO -0.03 0.68 0.33 0.00 -1.08 0.00 0.00 178.44 178.34 3ipk h ALA 489 N 1.37 1.24 -0.20 1.53 0.00 -0.46 -1.20 119.26 121.53 3ipk h ALA 489 Ca 0.08 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3ipk h ALA 489 Cb 0.56 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ipk h ALA 489 CO 0.04 0.58 -0.27 0.93 0.00 0.00 0.00 179.25 180.52 3ipk h GLU 490 N 1.01 0.54 -0.17 0.00 4.39 -0.72 -3.09 114.58 116.53 3ipk h GLU 490 Ca 0.25 -0.31 0.01 0.00 0.34 0.00 0.00 59.36 59.65 3ipk h GLU 490 Cb 0.12 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3ipk h GLU 490 CO -0.03 0.91 0.12 -0.07 -1.16 0.00 0.00 179.01 178.77 3ipk h LEU 491 N 0.21 0.15 -1.57 1.33 3.38 -0.83 -2.13 115.31 115.86 3ipk h LEU 491 Ca 0.02 -0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.19 3ipk h LEU 491 Cb 0.84 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 3ipk h LEU 491 CO 0.06 0.11 0.59 -0.08 0.09 0.00 0.00 178.44 179.21 3ipk h GLU 492 N 0.18 0.35 0.00 1.13 4.57 -1.14 0.30 114.58 119.97 3ipk h GLU 492 Ca 0.07 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3ipk h GLU 492 Cb 0.06 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 3ipk h GLU 492 CO -0.01 0.23 0.00 1.63 -1.18 0.00 0.00 179.01 179.68 3ipk n LYS 493 N -4.49 0.97 0.00 1.92 5.02 -0.80 -3.54 118.16 117.25 3ipk n LYS 493 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3ipk n LYS 493 Cb 0.70 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 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 -0.98 0.00 0.33 2.13 8.25 0.94 -4.88 115.22 121.01 3ipk n HIS 494 Ca 0.23 -0.11 0.18 0.00 -0.26 0.00 0.00 57.72 57.75 3ipk n HIS 494 Cb 0.10 -0.01 0.93 0.00 1.12 0.00 0.00 29.99 32.14 3ipk n HIS 494 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3ipk h LYS 495 N 0.00 0.00 -0.38 -0.41 2.10 -1.33 -0.61 116.57 115.95 3ipk h LYS 495 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ipk h LYS 495 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 3ipk h LYS 495 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3ipk n ASN 496 N -2.98 3.44 -4.84 7.07 3.02 -1.26 -4.12 115.26 115.60 3ipk n ASN 496 Ca -0.02 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.21 3ipk n ASN 496 Cb 0.30 -0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.16 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 -1.48 4.07 0.19 3.52 2.02 -0.24 -4.81 118.70 121.97 3ipk s GLU 497 Ca 0.38 0.70 -0.32 0.00 0.02 0.00 0.00 54.97 55.75 3ipk s GLU 497 Cb 0.22 -2.62 -0.16 0.00 0.10 0.00 0.00 34.13 31.68 3ipk s GLU 497 CO 0.31 0.26 1.04 -0.25 0.02 0.00 0.00 175.26 176.64 3ipk n ASP 498 N 0.06 0.92 0.00 -0.19 8.00 -1.26 -1.45 116.55 122.63 3ipk n ASP 498 Ca 0.01 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.66 3ipk n ASP 498 Cb 0.52 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 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 1.82 3.78 0.44 0.00 0.54 -4.95 105.19 108.63 3ipk n GLY 499 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.39 6.59 0.11 1.61 0.01 -0.53 -0.34 114.94 119.00 3ipk s ASN 500 Ca 0.00 0.70 -0.31 0.00 -0.71 0.00 0.00 52.86 52.54 3ipk s ASN 500 Cb 0.00 -2.21 -0.09 0.00 0.41 0.00 0.00 41.25 39.36 3ipk s ASN 500 CO 0.00 0.20 1.66 -0.22 -1.51 0.00 0.00 177.10 177.24 3ipk s LEU 501 N -0.24 4.37 0.57 0.60 0.20 -1.26 -0.29 118.68 122.63 3ipk s LEU 501 Ca 0.20 2.57 0.27 0.00 0.69 0.00 0.00 54.13 57.86 3ipk s LEU 501 Cb -0.14 -3.57 1.59 0.00 -0.43 0.00 0.00 46.19 43.64 3ipk s LEU 501 CO 0.08 -0.89 2.11 0.71 -0.29 0.00 0.00 176.35 178.07 3ipk h THR 502 N 4.56 0.57 -3.48 3.68 1.35 -1.42 -3.27 112.91 114.90 3ipk h THR 502 Ca -0.43 0.00 -0.70 0.00 -0.55 0.00 0.00 66.41 64.73 3ipk h THR 502 Cb 1.20 0.86 -0.34 0.00 -1.73 0.00 0.00 68.15 68.14 3ipk h THR 502 CO 0.93 0.00 -0.53 -1.61 -0.25 0.00 0.00 175.52 174.06 3ipk s GLU 503 N -4.74 2.06 -0.34 4.72 2.02 -1.26 -4.92 118.70 116.24 3ipk s GLU 503 Ca -0.05 -1.88 -0.42 0.00 0.02 0.00 0.00 54.97 52.64 3ipk s GLU 503 Cb 0.16 -3.61 -0.17 0.00 0.10 0.00 0.00 34.13 30.62 3ipk s GLU 503 CO 0.59 -1.09 1.74 -2.30 0.02 0.00 0.00 175.26 174.22 3ipk n PRO 504 N 4.51 0.87 -3.89 0.39 -0.02 -1.24 -4.92 135.00 130.70 3ipk n PRO 504 Ca -0.02 0.32 -0.10 0.00 -2.02 0.00 0.00 63.50 61.68 3ipk n PRO 504 Cb 0.41 -1.97 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 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 3.61 0.10 0.24 2.55 0.15 -1.26 -5.04 113.70 114.04 3ipk s SER 505 Ca 1.01 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 57.22 3ipk s SER 505 Cb -1.17 0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 63.33 3ipk s SER 505 CO 0.69 -0.49 0.48 0.00 1.20 0.00 0.00 173.24 175.13 3ipk s ALA 506 N -2.29 3.70 -0.99 5.45 0.00 -1.26 -4.46 121.76 121.92 3ipk s ALA 506 Ca -0.07 -0.61 -0.23 0.00 0.00 0.00 0.00 51.96 51.04 3ipk s ALA 506 Cb -0.03 -2.20 0.04 0.00 0.00 0.00 0.00 23.12 20.93 3ipk s ALA 506 CO -0.03 0.37 1.45 -1.14 0.00 0.00 0.00 175.76 176.42 3ipk s GLN 507 N -3.31 3.51 0.21 0.00 0.74 0.13 -4.76 119.66 116.18 3ipk s GLN 507 Ca 0.42 -1.00 0.24 0.00 0.05 0.00 0.00 55.36 55.07 3ipk s GLN 507 Cb -0.11 -5.24 0.33 0.00 1.10 0.00 0.00 33.01 29.10 3ipk s GLN 507 CO 0.28 -2.25 1.37 -2.95 -0.55 0.00 0.00 175.29 171.19 3ipk h ASN 508 N 9.90 0.00 -4.01 6.67 -1.07 -1.90 -2.05 115.58 123.12 3ipk h ASN 508 Ca 0.15 -0.09 -0.71 0.00 0.07 0.00 0.00 56.30 55.71 3ipk h ASN 508 Cb 1.01 0.00 -0.33 0.00 -2.07 0.00 0.00 38.32 36.93 3ipk h ASN 508 CO 1.41 0.05 -0.30 -0.22 0.07 0.00 0.00 177.43 178.43 3ipk s LEU 509 N -4.87 5.50 -0.58 6.14 2.96 -1.26 -0.43 118.68 126.15 3ipk s LEU 509 Ca 0.05 -2.74 -0.25 0.00 -0.22 0.00 0.00 54.13 50.98 3ipk s LEU 509 Cb 0.11 -1.92 0.04 0.00 0.50 0.00 0.00 46.19 44.92 3ipk s LEU 509 CO 0.71 -0.43 1.00 -0.69 -1.32 0.00 0.00 176.35 175.62 3ipk s VAL 510 N 0.11 4.29 -0.50 1.68 1.01 -0.14 -4.40 120.40 122.45 3ipk s VAL 510 Ca 0.16 0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.51 3ipk s VAL 510 Cb -0.19 -4.60 0.21 0.00 0.00 0.00 0.00 36.38 31.79 3ipk s VAL 510 CO -0.04 -1.22 0.76 0.00 0.00 0.00 0.00 175.10 174.60 3ipk n TYR 511 N 7.73 -3.50 -0.04 5.22 9.36 -1.26 -0.62 117.16 134.05 3ipk n TYR 511 Ca 0.02 -1.61 -0.04 0.00 3.32 0.00 0.00 57.90 59.59 3ipk n TYR 511 Cb 0.48 1.43 -0.06 0.00 -0.63 0.00 0.00 39.34 40.56 3ipk n TYR 511 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3ipk n ASP 512 N 2.47 3.22 -3.65 2.98 8.00 -1.26 -0.86 116.55 127.43 3ipk n ASP 512 Ca 0.15 -0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.58 3ipk n ASP 512 Cb 0.58 0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 42.27 3ipk n ASP 512 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ipk s LEU 513 N -4.54 -0.73 -0.39 0.64 2.96 -1.26 -4.90 118.68 110.45 3ipk s LEU 513 Ca -0.04 1.35 0.09 0.00 -0.22 0.00 0.00 54.13 55.31 3ipk s LEU 513 Cb 0.02 2.10 0.27 0.00 0.50 0.00 0.00 46.19 49.08 3ipk s LEU 513 CO 0.30 -0.23 0.59 -0.62 -1.32 0.00 0.00 176.35 175.06 3ipk n GLU 514 N 4.38 0.78 0.20 1.98 -0.58 -1.26 -4.67 120.64 121.46 3ipk n GLU 514 Ca -0.20 -3.20 0.16 0.00 -0.42 0.00 0.00 57.16 53.50 3ipk n GLU 514 Cb 0.57 -1.33 0.79 0.00 -0.57 0.00 0.00 31.44 30.90 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 3.76 0.00 -0.46 3.49 0.11 -1.96 -2.64 132.00 134.29 3ipk h PRO 515 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3ipk h PRO 515 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3ipk h PRO 515 CO 0.46 0.00 0.01 -1.71 -0.21 0.00 0.00 178.00 176.55 3ipk n ASN 516 N -4.01 5.04 -4.77 -2.05 5.15 -1.26 -4.82 115.26 108.52 3ipk n ASN 516 Ca 0.01 -2.98 -0.34 0.00 -0.60 0.00 0.00 54.58 50.67 3ipk n ASN 516 Cb 0.30 -0.64 0.02 0.00 -0.53 0.00 0.00 39.78 38.93 3ipk n ASN 516 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ipk s ALA 517 N -2.81 2.60 -0.17 5.20 0.00 -0.99 -4.79 121.76 120.80 3ipk s ALA 517 Ca 0.50 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 53.09 3ipk s ALA 517 Cb 0.39 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 3ipk s ALA 517 CO 0.13 -0.99 -0.02 -0.80 0.00 0.00 0.00 175.76 174.09 3ipk s ASN 518 N -2.19 4.92 -0.17 0.00 -0.87 0.26 -4.72 114.94 112.18 3ipk s ASN 518 Ca 0.70 -0.12 -0.04 0.00 -1.57 0.00 0.00 52.86 51.83 3ipk s ASN 518 Cb -0.22 -1.82 -0.03 0.00 -0.02 0.00 0.00 41.25 39.17 3ipk s ASN 518 CO 0.34 0.15 -0.02 -0.22 -2.57 0.00 0.00 177.10 174.77 3ipk s LEU 519 N 0.50 3.28 -0.07 0.60 2.96 -1.26 -1.18 118.68 123.52 3ipk s LEU 519 Ca -0.02 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3ipk s LEU 519 Cb -0.14 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3ipk s LEU 519 CO 0.02 0.15 -0.23 -0.55 -1.32 0.00 0.00 176.35 174.42 3ipk s SER 520 N 0.49 2.91 0.01 3.68 0.15 -0.70 -5.00 113.70 115.25 3ipk s SER 520 Ca -0.03 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.17 3ipk s SER 520 Cb -0.14 -0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 63.22 3ipk s SER 520 CO 0.03 0.21 -0.13 -0.22 1.20 0.00 0.00 173.24 174.32 3ipk s LEU 521 N -0.00 2.09 0.18 3.45 2.96 -1.26 -0.88 118.68 125.22 3ipk s LEU 521 Ca -0.07 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 3ipk s LEU 521 Cb -0.14 -0.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.90 3ipk s LEU 521 CO 0.05 0.09 -0.13 0.42 -1.32 0.00 0.00 176.35 175.46 3ipk s THR 522 N -0.56 1.51 -0.01 3.68 -4.23 -0.89 -4.76 115.64 110.38 3ipk s THR 522 Ca 0.03 -2.15 -0.29 0.00 -1.18 0.00 0.00 61.69 58.09 3ipk s THR 522 Cb -0.06 -1.97 0.07 0.00 1.34 0.00 0.00 72.50 71.88 3ipk s THR 522 CO 0.00 -0.65 0.66 0.28 -0.54 0.00 0.00 174.62 174.36 3ipk s THR 523 N -3.12 0.00 -1.72 3.99 -1.32 -1.26 -0.89 115.64 111.33 3ipk s THR 523 Ca 0.20 -0.02 0.21 0.00 -1.21 0.00 0.00 61.69 60.87 3ipk s THR 523 Cb 0.01 -0.99 0.62 0.00 -1.51 0.00 0.00 72.50 70.63 3ipk s THR 523 CO 0.04 -0.01 1.52 -0.90 -2.21 0.00 0.00 174.62 173.07 3ipk n ASP 524 N 0.70 3.98 0.00 8.08 5.68 -0.80 -4.84 116.55 129.35 3ipk n ASP 524 Ca -0.19 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 3ipk n ASP 524 Cb 0.58 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3ipk n ASP 524 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ipk n GLY 525 N 1.44 1.62 3.12 6.12 0.00 -1.26 -4.88 105.19 111.36 3ipk n GLY 525 Ca 0.23 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 4.59 1.48 0.39 1.61 -0.14 -0.68 -4.97 119.74 122.02 3ipk s LYS 526 Ca 0.00 -0.56 -0.23 0.00 -1.36 0.00 0.00 55.97 53.83 3ipk s LYS 526 Cb 0.00 -1.35 -0.11 0.00 -1.68 0.00 0.00 37.83 34.69 3ipk s LYS 526 CO 0.00 0.27 0.95 -0.06 -0.76 0.00 0.00 175.35 175.75 3ipk s PHE 527 N -0.11 3.44 -0.09 3.18 0.08 -1.26 0.12 117.98 123.34 3ipk s PHE 527 Ca 0.00 1.67 0.00 0.00 0.12 0.00 0.00 56.93 58.73 3ipk s PHE 527 Cb -0.09 -2.88 -0.03 0.00 -0.57 0.00 0.00 43.02 39.45 3ipk s PHE 527 CO 0.01 -0.01 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.52 3ipk s LEU 528 N -2.78 3.01 0.41 -0.37 1.43 -0.41 -0.87 118.68 119.10 3ipk s LEU 528 Ca 0.58 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 53.28 3ipk s LEU 528 Cb -0.13 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 3ipk s LEU 528 CO 0.17 0.28 1.44 -0.54 0.23 0.00 0.00 176.35 177.94 3ipk s LYS 529 N -0.35 3.91 0.24 1.70 1.02 -0.09 -4.45 119.74 121.73 3ipk s LYS 529 Ca 0.04 2.46 -0.07 0.00 0.02 0.00 0.00 55.97 58.43 3ipk s LYS 529 Cb -0.12 -2.82 0.22 0.00 -0.52 0.00 0.00 37.83 34.59 3ipk s LYS 529 CO 0.02 -0.65 1.89 0.00 -0.92 0.00 0.00 175.35 175.69 3ipk h ALA 530 N 2.68 1.19 -0.47 5.17 0.00 -1.87 -1.51 119.26 124.45 3ipk h ALA 530 Ca -0.51 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 3ipk h ALA 530 Cb 1.25 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3ipk h ALA 530 CO 0.63 0.64 0.18 0.66 0.00 0.00 0.00 179.25 181.36 3ipk h SER 531 N 1.28 0.61 -0.38 0.00 4.64 -1.94 -0.09 113.55 117.68 3ipk h SER 531 Ca 0.33 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.43 3ipk h SER 531 Cb -0.06 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 3ipk h SER 531 CO -0.06 0.56 -0.37 0.00 -0.87 0.00 0.00 176.83 176.09 3ipk h ALA 532 N 1.53 0.60 -0.43 5.18 0.00 -1.66 -0.63 119.26 123.85 3ipk h ALA 532 Ca 0.16 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3ipk h ALA 532 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ipk h ALA 532 CO -0.01 0.68 0.12 0.28 0.00 0.00 0.00 179.25 180.32 3ipk h VAL 533 N 0.76 1.22 -0.42 0.00 2.07 -0.75 -0.98 116.25 118.16 3ipk h VAL 533 Ca 0.07 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.83 3ipk h VAL 533 Cb 0.96 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3ipk h VAL 533 CO 0.09 0.27 0.27 -0.78 0.02 0.00 0.00 177.57 177.43 3ipk h ASP 534 N 0.55 0.49 -0.58 0.57 3.58 -0.90 -1.24 116.42 118.89 3ipk h ASP 534 Ca 0.14 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 3ipk h ASP 534 Cb 0.28 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 3ipk h ASP 534 CO -0.00 0.37 0.22 -0.78 -2.88 0.00 0.00 179.24 176.17 3ipk h ASP 535 N 0.56 0.85 -0.56 2.28 1.82 -0.91 -2.13 116.42 118.33 3ipk h ASP 535 Ca 0.15 -0.13 -0.10 0.00 -0.39 0.00 0.00 57.03 56.57 3ipk h ASP 535 Cb -0.04 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 39.73 3ipk h ASP 535 CO -0.03 0.78 -0.03 0.00 -1.61 0.00 0.00 179.24 178.35 3ipk h ALA 536 N 1.34 0.76 -0.17 -0.78 0.00 -0.80 -2.71 119.26 116.90 3ipk h ALA 536 Ca 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ipk h ALA 536 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ipk h ALA 536 CO -0.01 0.62 -0.03 0.74 0.00 0.00 0.00 179.25 180.56 3ipk h PHE 537 N 0.90 0.25 0.00 0.00 0.04 -0.82 -2.30 116.94 115.00 3ipk h PHE 537 Ca 0.16 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.91 3ipk h PHE 537 Cb 0.58 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3ipk h PHE 537 CO 0.04 0.29 0.00 -1.13 -0.60 0.00 0.00 178.31 176.91 3ipk n SER 538 N -4.36 0.00 -4.73 2.17 3.41 -0.84 -3.50 113.62 105.77 3ipk n SER 538 Ca -0.00 0.01 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 3ipk n SER 538 Cb 0.19 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 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 -2.65 2.14 2.69 4.33 1.02 -0.87 -4.53 119.74 121.86 3ipk s LYS 539 Ca 0.24 -2.29 0.00 0.00 0.02 0.00 0.00 55.97 53.93 3ipk s LYS 539 Cb 0.18 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.89 3ipk s LYS 539 CO 0.43 -0.28 0.00 0.45 -0.92 0.00 0.00 175.35 175.03 3ipk n SER 540 N -1.21 0.00 0.32 2.83 2.88 -1.26 -2.90 113.62 114.28 3ipk n SER 540 Ca -0.14 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.60 3ipk n SER 540 Cb 0.67 0.00 1.11 0.00 -0.75 0.00 0.00 64.21 65.23 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 0.10 -0.19 2.46 1.35 -1.93 -2.29 112.91 112.42 3ipk h THR 541 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3ipk h THR 541 Cb 0.00 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 3ipk h THR 541 CO 0.00 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 173.73 3ipk n SER 542 N -3.21 3.05 -0.17 5.36 3.41 -1.11 -4.55 113.62 116.40 3ipk n SER 542 Ca -0.03 -1.93 -0.07 0.00 -0.26 0.00 0.00 58.87 56.59 3ipk n SER 542 Cb 0.13 -0.11 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.66 -0.65 4.33 3.64 -1.27 -1.66 116.57 125.80 3ipk h LYS 543 Ca 0.00 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.43 3ipk h LYS 543 Cb 0.91 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.51 3ipk h LYS 543 CO 0.00 0.44 0.27 0.00 -2.27 0.00 0.00 179.45 177.90 3ipk h ALA 544 N 1.18 0.86 -0.22 5.00 0.00 -1.80 0.10 119.26 124.39 3ipk h ALA 544 Ca 0.18 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 3ipk h ALA 544 Cb -0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ipk h ALA 544 CO -0.04 -0.14 -0.63 0.87 0.00 0.00 0.00 179.25 179.30 3ipk h LYS 545 N 0.47 0.77 -0.69 0.00 1.79 -1.80 -3.17 116.57 113.94 3ipk h LYS 545 Ca 0.32 -0.54 0.03 0.00 -2.18 0.00 0.00 60.65 58.28 3ipk h LYS 545 Cb 0.38 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 3ipk h LYS 545 CO -0.30 1.16 0.44 -0.92 -1.08 0.00 0.00 179.45 178.75 3ipk h TYR 546 N 0.57 0.82 0.00 -1.35 3.20 -0.56 0.18 116.97 119.83 3ipk h TYR 546 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3ipk h TYR 546 Cb 1.23 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.24 3ipk h TYR 546 CO 0.07 0.47 0.00 -0.25 -1.64 0.00 0.00 178.16 176.81 3ipk n ASP 547 N -4.66 0.22 -1.20 -2.11 8.00 0.29 -1.06 116.55 116.01 3ipk n ASP 547 Ca 0.07 0.57 0.08 0.00 0.71 0.00 0.00 54.79 56.22 3ipk n ASP 547 Cb 0.08 -0.61 0.31 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.76 3.54 -3.55 -1.24 6.02 -0.09 -4.95 117.38 115.35 3ipk n GLN 548 Ca 0.02 -2.94 -0.22 0.00 -0.01 0.00 0.00 57.00 53.85 3ipk n GLN 548 Cb 0.14 -1.97 0.08 0.00 1.02 0.00 0.00 30.24 29.51 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 -0.14 -7.63 -4.22 -1.09 5.02 -0.23 -4.95 118.16 104.92 3ipk n LYS 549 Ca 0.23 0.83 -0.20 0.00 -2.02 0.00 0.00 58.31 57.15 3ipk n LYS 549 Cb 0.98 -5.85 -0.16 0.00 -0.02 0.00 0.00 35.03 29.98 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 -3.33 0.59 -0.53 -0.18 1.01 -0.36 -2.02 121.20 116.38 3ipk s ILE 550 Ca 0.46 -0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.76 3ipk s ILE 550 Cb -0.20 -0.59 0.09 0.00 0.01 0.00 0.00 42.46 41.77 3ipk s ILE 550 CO 0.72 0.23 0.55 -0.76 0.00 0.00 0.00 174.94 175.68 3ipk s LEU 551 N 0.73 5.59 -0.99 2.97 1.43 -0.18 -2.35 118.68 125.89 3ipk s LEU 551 Ca -0.10 -1.40 -0.15 0.00 -1.03 0.00 0.00 54.13 51.45 3ipk s LEU 551 Cb -0.13 -2.27 0.19 0.00 0.03 0.00 0.00 46.19 44.01 3ipk s LEU 551 CO 0.01 -0.88 1.08 -1.58 0.23 0.00 0.00 176.35 175.21 3ipk s GLN 552 N 2.10 3.80 0.30 1.70 2.00 -1.26 -2.53 119.66 125.78 3ipk s GLN 552 Ca 0.08 -2.38 0.05 0.00 -2.00 0.00 0.00 55.36 51.11 3ipk s GLN 552 Cb -0.25 -4.74 0.69 0.00 0.80 0.00 0.00 33.01 29.51 3ipk s GLN 552 CO 0.07 -1.54 1.81 -0.07 -0.50 0.00 0.00 175.29 175.06 3ipk h LEU 553 N 8.85 0.82 0.00 3.68 4.07 -1.96 -0.00 115.31 130.77 3ipk h LEU 553 Ca 0.18 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.21 3ipk h LEU 553 Cb 0.97 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.63 3ipk h LEU 553 CO 1.01 0.36 0.00 -0.90 -1.08 0.00 0.00 178.44 177.83 3ipk n ASP 554 N -4.68 0.00 -0.29 -0.43 5.75 -1.26 -2.45 116.55 113.20 3ipk n ASP 554 Ca 0.21 -0.73 0.06 0.00 -0.01 0.00 0.00 54.79 54.32 3ipk n ASP 554 Cb 0.49 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 -1.02 1.40 -4.66 -1.12 9.92 -0.03 -4.99 116.55 116.05 3ipk n ASP 555 Ca 0.18 -1.20 -0.42 0.00 -0.53 0.00 0.00 54.79 52.82 3ipk n ASP 555 Cb 0.09 0.42 -0.03 0.00 -0.64 0.00 0.00 41.12 40.96 3ipk n ASP 555 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3ipk s LEU 556 N -1.65 4.32 -0.51 0.64 2.96 -1.02 -2.76 118.68 120.66 3ipk s LEU 556 Ca 0.10 2.24 -0.24 0.00 -0.22 0.00 0.00 54.13 56.01 3ipk s LEU 556 Cb 0.09 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.28 3ipk s LEU 556 CO 0.28 -0.91 0.91 -0.62 -1.32 0.00 0.00 176.35 174.69 3ipk s ASP 557 N 3.16 6.39 0.00 3.68 -1.08 -1.26 -4.71 116.67 122.84 3ipk s ASP 557 Ca 0.73 -0.21 0.19 0.00 -0.52 0.00 0.00 52.55 52.74 3ipk s ASP 557 Cb -0.34 -2.43 0.86 0.00 -1.46 0.00 0.00 42.92 39.56 3ipk s ASP 557 CO 0.29 -1.13 1.61 2.30 0.52 0.00 0.00 175.17 178.77 3ipk n ILE 558 N 6.23 0.61 0.33 4.11 -5.35 -0.42 -3.36 119.36 121.51 3ipk n ILE 558 Ca 0.03 0.15 0.21 0.00 -0.27 0.00 0.00 62.75 62.87 3ipk n ILE 558 Cb 0.48 -0.82 1.12 0.00 -1.74 0.00 0.00 39.64 38.67 3ipk n ILE 558 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 3ipk h THR 559 N 0.00 0.13 -0.20 7.28 1.35 -1.88 0.02 112.91 119.60 3ipk h THR 559 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3ipk h THR 559 Cb 0.29 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3ipk h THR 559 CO 0.00 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.86 3ipk n ASN 560 N -3.25 1.54 -0.04 5.36 5.03 -1.21 -3.03 115.26 119.65 3ipk n ASN 560 Ca -0.03 -2.08 0.00 0.00 0.87 0.00 0.00 54.58 53.34 3ipk n ASN 560 Cb 0.09 -0.27 0.01 0.00 -1.02 0.00 0.00 39.78 38.59 3ipk n ASN 560 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3ipk n LEU 561 N 0.15 1.36 -0.70 3.41 4.77 -0.01 -4.58 117.00 121.40 3ipk n LEU 561 Ca 0.08 -1.29 0.12 0.00 -0.03 0.00 0.00 56.01 54.89 3ipk n LEU 561 Cb 0.29 -0.01 0.21 0.00 -2.33 0.00 0.00 43.42 41.58 3ipk n LEU 561 CO 0.06 0.33 0.63 -0.62 -1.33 0.00 0.00 177.39 176.47 3ipk n GLU 562 N -0.09 1.85 -2.49 3.23 1.02 -1.17 -4.85 120.64 118.15 3ipk n GLU 562 Ca 0.01 -1.42 -0.35 0.00 -0.02 0.00 0.00 57.16 55.38 3ipk n GLU 562 Cb 0.09 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.13 3.89 0.37 3.49 1.11 -1.26 -4.94 119.66 120.19 3ipk s GLN 563 Ca 0.28 1.49 0.12 0.00 0.01 0.00 0.00 55.36 57.26 3ipk s GLN 563 Cb 0.20 -2.28 0.91 0.00 -1.01 0.00 0.00 33.01 30.83 3ipk s GLN 563 CO 0.37 -0.38 1.83 0.66 0.01 0.00 0.00 175.29 177.79 3ipk h SER 564 N 1.93 0.59 -0.02 5.90 4.64 -2.01 -0.92 113.55 123.65 3ipk h SER 564 Ca -0.49 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3ipk h SER 564 Cb 1.23 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3ipk h SER 564 CO 0.60 0.24 0.00 -0.46 -0.87 0.00 0.00 176.83 176.34 3ipk n ASN 565 N -4.60 0.16 -0.14 4.97 0.23 -1.26 -3.24 115.26 111.37 3ipk n ASN 565 Ca 0.20 -1.69 0.12 0.00 -0.53 0.00 0.00 54.58 52.68 3ipk n ASN 565 Cb 0.61 -0.01 0.25 0.00 -2.08 0.00 0.00 39.78 38.55 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 -0.56 0.89 -4.72 0.53 8.00 -0.35 -4.92 116.55 115.42 3ipk n ASP 566 Ca 0.08 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 3ipk n ASP 566 Cb 0.06 0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.75 4.44 0.16 2.53 1.01 -1.20 -0.91 120.40 123.67 3ipk s VAL 567 Ca 0.17 1.88 0.06 0.00 0.00 0.00 0.00 61.98 64.09 3ipk s VAL 567 Cb 0.18 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 3ipk s VAL 567 CO 0.63 0.22 0.05 0.00 0.00 0.00 0.00 175.10 175.99 3ipk s ALA 568 N 0.52 3.34 -0.62 5.51 0.00 -0.05 -4.69 121.76 125.78 3ipk s ALA 568 Ca 0.51 -1.27 0.26 0.00 0.00 0.00 0.00 51.96 51.46 3ipk s ALA 568 Cb -0.25 -1.16 0.83 0.00 0.00 0.00 0.00 23.12 22.55 3ipk s ALA 568 CO 0.30 0.53 1.76 0.66 0.00 0.00 0.00 175.76 179.01 3ipk h SER 569 N 2.74 0.00 -5.10 0.00 4.64 -1.97 -3.35 113.55 110.51 3ipk h SER 569 Ca -0.47 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3ipk h SER 569 Cb 1.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.22 3ipk h SER 569 CO 0.60 0.00 0.10 -0.94 -0.87 0.00 0.00 176.83 175.72 3ipk s SER 570 N -4.64 -0.17 0.31 4.97 1.04 -1.26 -4.97 113.70 108.98 3ipk s SER 570 Ca 0.08 -0.76 -0.30 0.00 0.48 0.00 0.00 55.95 55.46 3ipk s SER 570 Cb 0.11 0.68 -0.12 0.00 0.10 0.00 0.00 66.02 66.79 3ipk s SER 570 CO 0.55 -1.28 1.56 0.80 0.98 0.00 0.00 173.24 175.85 3ipk n MET 571 N -0.43 2.65 -4.66 4.02 1.56 -1.26 -4.75 117.12 114.25 3ipk n MET 571 Ca -0.03 0.94 -0.23 0.00 -0.27 0.00 0.00 57.70 58.11 3ipk n MET 571 Cb 0.60 -2.70 -0.15 0.00 2.15 0.00 0.00 33.22 33.12 3ipk n MET 571 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3ipk s GLU 572 N -0.85 1.18 0.13 2.12 2.02 -1.26 -5.07 118.70 116.97 3ipk s GLU 572 Ca 0.62 -0.54 -0.08 0.00 0.02 0.00 0.00 54.97 54.99 3ipk s GLU 572 Cb -0.50 -1.14 -0.06 0.00 0.10 0.00 0.00 34.13 32.53 3ipk s GLU 572 CO 0.52 0.31 0.43 -0.51 0.02 0.00 0.00 175.26 176.03 3ipk s LEU 573 N -0.39 4.29 0.05 1.80 1.43 -1.26 -3.90 118.68 120.69 3ipk s LEU 573 Ca 0.05 0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 53.88 3ipk s LEU 573 Cb -0.06 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 3ipk s LEU 573 CO -0.00 0.08 0.06 -0.47 0.23 0.00 0.00 176.35 176.25 3ipk s TYR 574 N -1.56 0.30 -5.00 0.29 5.04 -0.63 -4.80 117.35 110.98 3ipk s TYR 574 Ca 0.38 -0.70 0.00 0.00 -2.44 0.00 0.00 57.07 54.31 3ipk s TYR 574 Cb -0.13 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 41.97 3ipk s TYR 574 CO 0.21 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.44 3ipk n GLY 575 N 0.48 -0.78 2.73 8.97 0.00 -1.26 -1.04 105.19 114.28 3ipk n GLY 575 Ca -0.17 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 1.56 6.45 -3.92 1.61 6.94 -1.17 -4.71 115.26 122.02 3ipk n ASN 576 Ca 0.00 -3.21 -0.13 0.00 -0.02 0.00 0.00 54.58 51.22 3ipk n ASN 576 Cb 0.00 -1.39 -0.08 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 -0.93 1.15 0.00 -2.53 -0.12 -1.23 -4.26 117.98 110.06 3ipk s PHE 577 Ca 0.43 -1.33 0.00 0.00 -0.05 0.00 0.00 56.93 55.98 3ipk s PHE 577 Cb 0.13 -0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.08 3ipk s PHE 577 CO -0.02 -0.78 0.00 0.41 -0.05 0.00 0.00 175.22 174.77 3ipk n GLY 578 N -0.38 3.35 0.00 1.99 0.00 -1.26 -1.22 105.19 107.66 3ipk n GLY 578 Ca 0.02 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 6.67 0.00 -0.21 1.61 5.75 -1.26 -1.53 116.55 127.57 3ipk n ASP 579 Ca 0.00 -1.00 0.05 0.00 -0.01 0.00 0.00 54.79 53.83 3ipk n ASP 579 Cb 0.00 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.19 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 -0.83 2.32 -1.88 0.11 4.76 -0.36 -5.02 118.16 117.27 3ipk n LYS 580 Ca 0.12 -2.14 -0.41 0.00 -2.87 0.00 0.00 58.31 53.01 3ipk n LYS 580 Cb 0.05 -1.32 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 3ipk n LYS 580 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ipk s ALA 581 N -1.93 3.59 0.00 7.82 0.00 -0.58 -1.59 121.76 129.06 3ipk s ALA 581 Ca 0.20 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3ipk s ALA 581 Cb 0.16 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3ipk s ALA 581 CO 0.04 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.27 3ipk n GLY 582 N 0.95 2.09 3.84 0.00 0.00 -1.26 -4.95 105.19 105.87 3ipk n GLY 582 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.32 2.95 0.28 1.61 0.52 -0.62 -5.04 118.94 116.32 3ipk s TRP 583 Ca 0.00 0.99 0.10 0.00 0.02 0.00 0.00 56.10 57.21 3ipk s TRP 583 Cb 0.00 -3.23 -0.05 0.00 -1.15 0.00 0.00 33.47 29.05 3ipk s TRP 583 CO 0.00 -1.69 -0.06 -1.12 0.02 0.00 0.00 176.95 174.10 3ipk s SER 584 N -4.20 4.22 0.12 2.95 0.01 -0.86 -4.69 113.70 111.26 3ipk s SER 584 Ca 0.61 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 3ipk s SER 584 Cb -0.13 -0.64 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 3ipk s SER 584 CO 0.52 -0.02 0.05 0.42 0.41 0.00 0.00 173.24 174.61 3ipk s THR 585 N -2.41 0.13 -2.00 1.44 -4.23 -0.38 -1.01 115.64 107.19 3ipk s THR 585 Ca 0.32 -1.90 0.29 0.00 -1.18 0.00 0.00 61.69 59.22 3ipk s THR 585 Cb -0.05 -2.00 0.84 0.00 1.34 0.00 0.00 72.50 72.63 3ipk s THR 585 CO 0.18 -0.52 2.11 0.35 -0.54 0.00 0.00 174.62 176.21 3ipk n THR 586 N -0.08 0.00 -0.09 3.99 -2.24 -1.05 -2.18 114.28 112.63 3ipk n THR 586 Ca -0.06 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.53 3ipk n THR 586 Cb 0.63 -0.51 -0.11 0.00 -2.10 0.00 0.00 70.33 68.24 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 0.00 1.12 -0.65 2.28 2.07 -1.96 -3.43 116.25 115.67 3ipk h VAL 587 Ca 0.00 -2.15 -0.30 0.00 0.82 0.00 0.00 66.70 65.07 3ipk h VAL 587 Cb 0.00 2.42 -0.35 0.00 -1.52 0.00 0.00 31.29 31.84 3ipk h VAL 587 CO 0.00 0.38 -0.99 -1.20 0.02 0.00 0.00 177.57 175.77 3ipk n SER 588 N -4.50 0.79 0.00 0.57 7.64 -1.25 -5.06 113.62 111.80 3ipk n SER 588 Ca -0.24 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.17 3ipk n SER 588 Cb 0.59 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3ipk n SER 588 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3ipk n ASN 589 N -0.37 0.00 -0.65 6.43 0.23 -0.93 -0.74 115.26 119.23 3ipk n ASN 589 Ca 0.05 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.17 3ipk n ASN 589 Cb 0.82 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.72 3ipk n ASN 589 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3ipk n ASN 590 N 3.11 1.90 -4.79 0.53 0.23 -1.26 -1.25 115.26 113.73 3ipk n ASN 590 Ca 0.00 -1.95 -0.36 0.00 -0.53 0.00 0.00 54.58 51.73 3ipk n ASN 590 Cb 0.00 -0.22 -0.07 0.00 -2.08 0.00 0.00 39.78 37.41 3ipk n ASN 590 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3ipk s SER 591 N -1.09 7.26 0.18 0.53 0.01 0.08 -4.90 113.70 115.77 3ipk s SER 591 Ca 0.26 1.80 -0.30 0.00 1.31 0.00 0.00 55.95 59.01 3ipk s SER 591 Cb 0.13 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.71 3ipk s SER 591 CO 0.18 -0.12 1.25 -1.58 0.41 0.00 0.00 173.24 173.38 3ipk s GLN 592 N -2.26 4.44 0.02 12.44 0.74 -1.26 -4.72 119.66 129.05 3ipk s GLN 592 Ca 0.52 1.95 -0.02 0.00 0.05 0.00 0.00 55.36 57.86 3ipk s GLN 592 Cb -0.17 -3.23 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 3ipk s GLN 592 CO 0.22 -0.18 0.02 0.14 -0.55 0.00 0.00 175.29 174.93 3ipk s VAL 593 N 0.15 0.11 0.03 1.34 -7.23 -1.26 -5.04 120.40 108.49 3ipk s VAL 593 Ca 0.55 -0.89 0.02 0.00 -1.81 0.00 0.00 61.98 59.85 3ipk s VAL 593 Cb -0.34 -0.37 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 3ipk s VAL 593 CO 0.36 -0.49 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.05 3ipk s LYS 594 N -1.57 0.53 -0.01 4.82 1.02 -1.26 -3.04 119.74 120.23 3ipk s LYS 594 Ca -0.15 -0.56 -0.10 0.00 0.02 0.00 0.00 55.97 55.19 3ipk s LYS 594 Cb -0.08 -0.39 0.01 0.00 -0.52 0.00 0.00 37.83 36.84 3ipk s LYS 594 CO -0.01 0.09 0.19 1.67 -0.92 0.00 0.00 175.35 176.37 3ipk s TRP 595 N -0.89 -0.04 0.06 3.18 -2.14 -0.21 -1.03 118.94 117.88 3ipk s TRP 595 Ca -0.05 0.02 -0.05 0.00 2.66 0.00 0.00 56.10 58.68 3ipk s TRP 595 Cb -0.07 0.00 -0.05 0.00 -3.10 0.00 0.00 33.47 30.25 3ipk s TRP 595 CO 0.00 -0.31 0.31 0.20 -2.66 0.00 0.00 176.95 174.49 3ipk s GLY 596 N -1.28 2.25 0.03 3.67 0.00 -0.10 -1.61 107.32 110.27 3ipk s GLY 596 Ca -0.14 -0.59 0.08 0.00 0.00 0.00 0.00 44.72 44.07 3ipk s GLY 596 CO 0.02 -0.46 -0.24 -0.56 0.00 0.00 0.00 173.10 171.87 3ipk s SER 597 N -2.05 2.83 0.07 1.64 0.01 -1.25 -0.97 113.70 113.98 3ipk s SER 597 Ca 0.33 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.08 3ipk s SER 597 Cb -0.13 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 3ipk s SER 597 CO 0.21 0.24 -0.06 0.68 0.41 0.00 0.00 173.24 174.72 3ipk s VAL 598 N -0.73 0.49 -0.18 3.43 -7.23 -0.81 -1.29 120.40 114.08 3ipk s VAL 598 Ca 0.10 -1.66 -0.00 0.00 -1.81 0.00 0.00 61.98 58.61 3ipk s VAL 598 Cb -0.09 -1.32 0.01 0.00 0.56 0.00 0.00 36.38 35.53 3ipk s VAL 598 CO 0.01 -0.79 -0.16 -0.22 -0.31 0.00 0.00 175.10 173.64 3ipk s LEU 599 N -2.61 2.37 0.20 1.32 2.96 0.12 -1.56 118.68 121.48 3ipk s LEU 599 Ca 0.04 -0.56 0.09 0.00 -0.22 0.00 0.00 54.13 53.48 3ipk s LEU 599 Cb 0.02 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 3ipk s LEU 599 CO -0.05 0.01 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.06 3ipk s LEU 600 N 1.23 2.50 0.46 -0.68 1.43 0.53 -1.68 118.68 122.47 3ipk s LEU 600 Ca 0.03 -0.94 0.06 0.00 -1.03 0.00 0.00 54.13 52.25 3ipk s LEU 600 Cb -0.14 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 3ipk s LEU 600 CO -0.08 -0.07 0.27 -1.61 0.23 0.00 0.00 176.35 175.09 3ipk s GLU 601 N -3.21 2.29 0.22 1.70 2.02 -1.26 0.19 118.70 120.64 3ipk s GLU 601 Ca 0.20 -1.88 -0.32 0.00 0.02 0.00 0.00 54.97 53.00 3ipk s GLU 601 Cb -0.04 -2.05 -0.14 0.00 0.10 0.00 0.00 34.13 32.00 3ipk s GLU 601 CO 0.08 -0.29 1.34 0.54 0.02 0.00 0.00 175.26 176.95 3ipk n ARG 602 N -1.44 1.79 0.00 1.61 1.74 -1.26 -1.55 116.66 117.54 3ipk n ARG 602 Ca -0.02 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 3ipk n ARG 602 Cb 0.64 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 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 2.13 3.08 3.89 -0.13 0.00 0.25 -4.92 105.19 109.49 3ipk n GLY 603 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.30 3.04 0.33 1.61 -0.21 -0.60 -4.75 119.66 118.78 3ipk s GLN 604 Ca 0.00 0.42 -0.07 0.00 0.02 0.00 0.00 55.36 55.74 3ipk s GLN 604 Cb 0.00 -2.09 0.01 0.00 1.00 0.00 0.00 33.01 31.93 3ipk s GLN 604 CO 0.00 -0.85 0.52 -1.54 -2.12 0.00 0.00 175.29 171.30 3ipk s SER 605 N -4.30 0.55 -0.02 5.90 1.04 -1.26 -2.08 113.70 113.53 3ipk s SER 605 Ca 0.56 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.68 3ipk s SER 605 Cb -0.11 0.68 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3ipk s SER 605 CO 0.51 -1.33 -0.00 0.00 0.98 0.00 0.00 173.24 173.40 3ipk s ALA 606 N -3.14 0.26 -0.23 5.32 0.00 -0.56 -1.91 121.76 121.50 3ipk s ALA 606 Ca 0.26 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 3ipk s ALA 606 Cb -0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 3ipk s ALA 606 CO 0.16 -0.04 -0.05 0.99 0.00 0.00 0.00 175.76 176.82 3ipk s THR 607 N 0.73 3.23 -0.15 0.00 2.01 -0.07 -0.74 115.64 120.65 3ipk s THR 607 Ca -0.07 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 3ipk s THR 607 Cb -0.10 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 3ipk s THR 607 CO -0.01 0.38 0.22 0.00 -0.69 0.00 0.00 174.62 174.52 3ipk s ALA 608 N 1.44 3.70 -0.29 7.40 0.00 0.14 -2.10 121.76 132.05 3ipk s ALA 608 Ca 0.05 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 3ipk s ALA 608 Cb -0.15 -2.23 0.06 0.00 0.00 0.00 0.00 23.12 20.81 3ipk s ALA 608 CO -0.04 0.26 -0.02 0.99 0.00 0.00 0.00 175.76 176.95 3ipk s THR 609 N -0.03 2.71 -0.21 0.00 2.01 -0.06 -0.30 115.64 119.75 3ipk s THR 609 Ca 0.14 -1.54 -0.10 0.00 0.31 0.00 0.00 61.69 60.50 3ipk s THR 609 Cb -0.12 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 3ipk s THR 609 CO 0.03 -0.13 0.14 -0.31 -0.69 0.00 0.00 174.62 173.65 3ipk s TYR 610 N 1.18 3.36 0.10 4.92 2.02 0.34 -1.72 117.35 127.56 3ipk s TYR 610 Ca -0.05 0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 3ipk s TYR 610 Cb -0.20 -2.19 -0.01 0.00 -0.40 0.00 0.00 41.96 39.16 3ipk s TYR 610 CO -0.03 0.20 0.05 0.25 -1.57 0.00 0.00 175.55 174.45 3ipk n THR 611 N 3.80 0.00 -2.58 -0.71 -2.24 -0.33 -1.03 114.28 111.19 3ipk n THR 611 Ca -0.16 -0.65 -0.21 0.00 -2.27 0.00 0.00 64.05 60.77 3ipk n THR 611 Cb 0.52 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.11 -5.83 -4.77 3.42 5.15 -1.25 -0.57 115.26 109.30 3ipk n ASN 612 Ca -0.01 -0.10 -0.38 0.00 -0.60 0.00 0.00 54.58 53.49 3ipk n ASN 612 Cb 0.16 -4.78 -0.01 0.00 -0.53 0.00 0.00 39.78 34.62 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 -6.00 4.13 -0.03 1.20 1.43 -1.26 -4.21 118.68 113.93 3ipk s LEU 613 Ca 0.09 2.36 0.02 0.00 -1.03 0.00 0.00 54.13 55.58 3ipk s LEU 613 Cb -0.04 -4.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.05 3ipk s LEU 613 CO 0.12 -0.79 -0.01 0.00 0.23 0.00 0.00 176.35 175.90 3ipk n GLN 614 N -0.13 2.27 -0.10 1.70 1.13 -1.26 -4.86 117.38 116.13 3ipk n GLN 614 Ca 0.05 0.01 0.08 0.00 -1.94 0.00 0.00 57.00 55.20 3ipk n GLN 614 Cb 0.47 -1.08 0.11 0.00 0.11 0.00 0.00 30.24 29.85 3ipk n GLN 614 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3ipk n ASN 615 N -2.29 2.05 -4.65 1.08 3.02 -1.26 -5.05 115.26 108.16 3ipk n ASN 615 Ca -0.06 -2.83 -0.35 0.00 -0.03 0.00 0.00 54.58 51.31 3ipk n ASN 615 Cb 0.59 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.31 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 -2.45 5.13 0.06 6.41 0.01 -1.26 -4.65 113.70 116.94 3ipk s SER 616 Ca 0.25 0.10 -0.13 0.00 1.31 0.00 0.00 55.95 57.48 3ipk s SER 616 Cb 0.22 -1.47 0.02 0.00 0.21 0.00 0.00 66.02 64.99 3ipk s SER 616 CO 0.02 0.35 0.28 -0.31 0.41 0.00 0.00 173.24 174.00 3ipk s TYR 617 N -0.73 -0.05 -0.20 2.43 1.51 0.21 -0.85 117.35 119.66 3ipk s TYR 617 Ca 0.11 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 3ipk s TYR 617 Cb -0.12 0.07 0.05 0.00 -0.11 0.00 0.00 41.96 41.85 3ipk s TYR 617 CO 0.02 -0.52 -0.09 -0.47 -1.11 0.00 0.00 175.55 173.39 3ipk s TYR 618 N -2.88 2.35 -1.56 2.71 5.04 0.10 -0.97 117.35 122.15 3ipk s TYR 618 Ca -0.03 -1.58 -0.12 0.00 -2.44 0.00 0.00 57.07 52.91 3ipk s TYR 618 Cb 0.00 -1.60 0.09 0.00 0.35 0.00 0.00 41.96 40.81 3ipk s TYR 618 CO -0.05 -0.74 0.74 0.09 -1.34 0.00 0.00 175.55 174.25 3ipk n ASN 619 N 4.70 -2.79 0.00 4.32 3.02 0.43 -0.91 115.26 124.03 3ipk n ASN 619 Ca -0.14 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3ipk n ASN 619 Cb 0.46 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.44 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 -1.64 3.09 3.69 7.41 0.00 -1.26 -4.04 105.19 112.44 3ipk n GLY 620 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.25 4.40 0.26 1.61 2.20 -0.08 -4.49 119.74 123.39 3ipk s LYS 621 Ca 0.00 1.46 -0.30 0.00 -0.36 0.00 0.00 55.97 56.77 3ipk s LYS 621 Cb 0.00 -3.55 -0.11 0.00 -1.51 0.00 0.00 37.83 32.66 3ipk s LYS 621 CO 0.00 -0.35 1.57 0.21 -0.36 0.00 0.00 175.35 176.42 3ipk s LYS 622 N 2.07 4.17 -0.28 4.03 2.20 -1.26 -0.72 119.74 129.95 3ipk s LYS 622 Ca 0.50 2.49 -0.18 0.00 -0.36 0.00 0.00 55.97 58.42 3ipk s LYS 622 Cb -0.20 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 3ipk s LYS 622 CO 0.19 -0.59 0.52 0.42 -0.36 0.00 0.00 175.35 175.53 3ipk s ILE 623 N 0.26 5.05 -0.20 5.43 -1.09 -0.03 -3.85 121.20 126.76 3ipk s ILE 623 Ca 0.64 0.78 0.14 0.00 -2.23 0.00 0.00 60.65 59.98 3ipk s ILE 623 Cb -0.46 -3.87 -0.20 0.00 -1.58 0.00 0.00 42.46 36.35 3ipk s ILE 623 CO 0.43 0.01 0.39 -1.20 -1.23 0.00 0.00 174.94 173.33 3ipk n SER 624 N 5.61 1.46 -3.64 3.58 7.64 -0.26 -4.65 113.62 123.36 3ipk n SER 624 Ca -0.04 -0.24 -0.16 0.00 1.01 0.00 0.00 58.87 59.44 3ipk n SER 624 Cb 0.49 1.45 -0.07 0.00 -1.01 0.00 0.00 64.21 65.07 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 -2.77 0.86 -0.04 1.43 2.20 -1.16 -3.85 119.74 116.41 3ipk s LYS 625 Ca -0.02 0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 55.66 3ipk s LYS 625 Cb 0.09 0.40 0.03 0.00 -1.51 0.00 0.00 37.83 36.84 3ipk s LYS 625 CO 0.58 -0.25 0.02 0.42 -0.36 0.00 0.00 175.35 175.76 3ipk s ILE 626 N -1.19 0.10 -0.24 5.43 1.01 -0.20 -0.35 121.20 125.76 3ipk s ILE 626 Ca -0.12 0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 3ipk s ILE 626 Cb -0.03 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 3ipk s ILE 626 CO 0.07 0.17 0.03 -0.69 0.00 0.00 0.00 174.94 174.52 3ipk s VAL 627 N 1.57 3.97 -0.10 2.92 1.01 -0.85 -0.51 120.40 128.41 3ipk s VAL 627 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3ipk s VAL 627 Cb -0.13 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.43 3ipk s VAL 627 CO -0.03 0.36 -0.08 -0.47 0.00 0.00 0.00 175.10 174.88 3ipk s TYR 628 N 1.56 1.40 -0.21 5.22 6.14 0.59 -1.88 117.35 130.19 3ipk s TYR 628 Ca 0.06 -0.65 -0.07 0.00 0.64 0.00 0.00 57.07 57.05 3ipk s TYR 628 Cb -0.15 -1.15 -0.04 0.00 0.42 0.00 0.00 41.96 41.04 3ipk s TYR 628 CO 0.01 -0.45 0.07 0.21 0.64 0.00 0.00 175.55 176.03 3ipk s LYS 629 N 1.50 3.86 -0.22 4.97 2.20 0.64 0.28 119.74 132.97 3ipk s LYS 629 Ca 0.01 -0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.18 3ipk s LYS 629 Cb -0.13 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3ipk s LYS 629 CO -0.06 0.10 -0.01 0.71 -0.36 0.00 0.00 175.35 175.73 3ipk s TYR 630 N 0.85 3.01 -0.04 4.03 1.51 0.08 -1.50 117.35 125.29 3ipk s TYR 630 Ca 0.04 -0.67 0.06 0.00 -1.01 0.00 0.00 57.07 55.48 3ipk s TYR 630 Cb -0.14 -2.12 -0.01 0.00 -0.11 0.00 0.00 41.96 39.58 3ipk s TYR 630 CO 0.02 -0.41 -0.21 0.99 -1.11 0.00 0.00 175.55 174.84 3ipk s THR 631 N 1.34 1.72 -0.39 -0.71 2.01 -0.21 -1.50 115.64 117.90 3ipk s THR 631 Ca 0.04 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 3ipk s THR 631 Cb -0.15 -1.45 0.01 0.00 0.01 0.00 0.00 72.50 70.93 3ipk s THR 631 CO 0.00 0.49 1.26 -0.69 -0.69 0.00 0.00 174.62 174.99 3ipk s VAL 632 N -0.23 4.13 0.04 3.82 1.01 -0.88 0.05 120.40 128.33 3ipk s VAL 632 Ca 0.01 1.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 3ipk s VAL 632 Cb -0.11 -4.34 -0.09 0.00 0.00 0.00 0.00 36.38 31.84 3ipk s VAL 632 CO 0.01 -0.73 1.89 -0.62 0.00 0.00 0.00 175.10 175.66 3ipk s ASP 633 N 2.92 6.48 0.55 3.32 -1.08 -0.23 -0.58 116.67 128.05 3ipk s ASP 633 Ca 0.54 2.62 0.24 0.00 -0.52 0.00 0.00 52.55 55.43 3ipk s ASP 633 Cb -0.12 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.30 3ipk s ASP 633 CO 0.28 -1.02 2.11 -0.65 0.52 0.00 0.00 175.17 176.40 3ipk h PRO 634 N 10.08 0.00 0.00 4.34 0.11 -1.91 -0.77 132.00 143.85 3ipk h PRO 634 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ipk h PRO 634 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 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 -4.17 0.32 -1.71 1.05 5.02 -1.26 -4.81 118.16 112.60 3ipk n LYS 635 Ca 0.02 0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 55.99 3ipk n LYS 635 Cb 0.30 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 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 -1.25 2.62 -1.12 4.39 7.64 -0.30 -4.92 113.62 120.68 3ipk n SER 636 Ca 0.10 1.07 0.10 0.00 1.01 0.00 0.00 58.87 61.16 3ipk n SER 636 Cb 0.14 -1.53 0.25 0.00 -1.01 0.00 0.00 64.21 62.06 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 -0.23 2.60 -1.67 1.43 5.02 -0.91 -4.95 118.16 119.45 3ipk n LYS 637 Ca 0.07 -2.37 -0.42 0.00 -2.02 0.00 0.00 58.31 53.57 3ipk n LYS 637 Cb 0.41 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.95 3ipk n LYS 637 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3ipk n PHE 638 N 1.34 1.87 0.67 2.13 1.16 -0.16 -4.37 117.46 120.10 3ipk n PHE 638 Ca 0.20 0.54 0.12 0.00 -1.87 0.00 0.00 57.45 56.44 3ipk n PHE 638 Cb 0.57 -2.34 0.47 0.00 -1.61 0.00 0.00 39.48 36.57 3ipk n PHE 638 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3ipk n GLN 639 N 0.19 0.14 -2.09 3.97 6.02 -1.26 -4.87 117.38 119.48 3ipk n GLN 639 Ca 0.07 0.20 -0.28 0.00 -0.01 0.00 0.00 57.00 56.98 3ipk n GLN 639 Cb 0.38 -1.69 0.17 0.00 1.02 0.00 0.00 30.24 30.12 3ipk n GLN 639 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3ipk s GLY 640 N -3.33 1.78 -0.04 1.08 0.00 -1.26 -5.02 107.32 100.53 3ipk s GLY 640 Ca 0.10 -1.35 0.21 0.00 0.00 0.00 0.00 44.72 43.68 3ipk s GLY 640 CO 0.50 -0.62 0.45 -1.06 0.00 0.00 0.00 173.10 172.36 3ipk n GLN 641 N -3.55 0.65 -4.45 2.90 1.13 -1.26 -5.02 117.38 107.77 3ipk n GLN 641 Ca 0.15 -0.19 -0.23 0.00 -1.94 0.00 0.00 57.00 54.80 3ipk n GLN 641 Cb 0.60 -1.51 -0.10 0.00 0.11 0.00 0.00 30.24 29.34 3ipk n GLN 641 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3ipk s LYS 642 N -3.43 1.61 -0.02 -1.09 -0.14 -1.26 -4.54 119.74 110.87 3ipk s LYS 642 Ca -0.08 -1.79 0.01 0.00 -1.36 0.00 0.00 55.97 52.74 3ipk s LYS 642 Cb 0.13 -1.41 0.02 0.00 -1.68 0.00 0.00 37.83 34.89 3ipk s LYS 642 CO 0.88 0.14 -0.01 0.08 -0.76 0.00 0.00 175.35 175.68 3ipk s VAL 643 N -2.81 0.24 -0.17 3.17 1.01 0.13 -4.49 120.40 117.47 3ipk s VAL 643 Ca 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 3ipk s VAL 643 Cb 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 3ipk s VAL 643 CO 0.13 0.13 0.16 0.86 0.00 0.00 0.00 175.10 176.39 3ipk s TRP 644 N 0.72 3.47 -0.15 5.22 -0.00 0.20 -0.35 118.94 128.05 3ipk s TRP 644 Ca -0.07 0.43 0.01 0.00 -0.00 0.00 0.00 56.10 56.47 3ipk s TRP 644 Cb -0.11 -2.14 0.00 0.00 -0.00 0.00 0.00 33.47 31.23 3ipk s TRP 644 CO -0.01 0.39 -0.18 -0.51 -0.00 0.00 0.00 176.95 176.64 3ipk s LEU 645 N 0.04 2.31 -0.36 5.86 1.02 -0.60 -0.75 118.68 126.20 3ipk s LEU 645 Ca 0.11 -0.53 -0.03 0.00 0.02 0.00 0.00 54.13 53.70 3ipk s LEU 645 Cb -0.12 -1.51 0.08 0.00 0.02 0.00 0.00 46.19 44.67 3ipk s LEU 645 CO 0.01 0.08 0.11 -0.83 0.02 0.00 0.00 176.35 175.74 3ipk s GLY 646 N 0.81 1.88 -0.35 -3.19 0.00 0.17 -1.92 107.32 104.72 3ipk s GLY 646 Ca -0.06 -2.16 -0.13 0.00 0.00 0.00 0.00 44.72 42.37 3ipk s GLY 646 CO -0.01 0.87 0.24 -0.42 0.00 0.00 0.00 173.10 173.78 3ipk s ILE 647 N 1.20 5.13 0.46 0.90 1.01 -0.14 -1.52 121.20 128.23 3ipk s ILE 647 Ca 0.02 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 3ipk s ILE 647 Cb -0.21 -3.70 -0.07 0.00 0.01 0.00 0.00 42.46 38.49 3ipk s ILE 647 CO -0.02 -0.08 1.17 -0.36 0.00 0.00 0.00 174.94 175.64 3ipk s PHE 648 N 1.69 2.88 0.42 3.97 0.08 -1.20 -0.92 117.98 124.89 3ipk s PHE 648 Ca 0.05 1.53 0.12 0.00 0.12 0.00 0.00 56.93 58.75 3ipk s PHE 648 Cb -0.18 -3.39 0.89 0.00 -0.57 0.00 0.00 43.02 39.77 3ipk s PHE 648 CO 0.10 -1.53 1.96 1.79 -0.10 0.00 0.00 175.22 177.44 3ipk h THR 649 N 1.90 1.15 -3.53 0.64 1.35 -1.45 -3.36 112.91 109.61 3ipk h THR 649 Ca -0.49 -0.68 -0.61 0.00 -0.55 0.00 0.00 66.41 64.07 3ipk h THR 649 Cb 1.25 1.24 -0.12 0.00 -1.73 0.00 0.00 68.15 68.79 3ipk h THR 649 CO 0.60 0.21 0.48 -0.62 -0.25 0.00 0.00 175.52 175.94 3ipk s ASP 650 N -6.93 6.42 0.59 5.36 -1.08 -1.26 -4.51 116.67 115.25 3ipk s ASP 650 Ca -0.05 -0.10 0.29 0.00 -0.52 0.00 0.00 52.55 52.17 3ipk s ASP 650 Cb 0.16 -2.42 1.73 0.00 -1.46 0.00 0.00 42.92 40.93 3ipk s ASP 650 CO 0.72 -1.04 2.17 1.55 0.52 0.00 0.00 175.17 179.09 3ipk h PRO 651 N 9.10 0.00 0.00 4.34 0.13 -1.81 -0.74 132.00 143.02 3ipk h PRO 651 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3ipk h PRO 651 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3ipk h PRO 651 CO 1.02 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.04 3ipk n THR 652 N -3.83 0.74 0.78 1.56 -2.24 -1.26 -1.83 114.28 108.19 3ipk n THR 652 Ca -0.01 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 3ipk n THR 652 Cb 0.21 -0.88 0.29 0.00 -2.10 0.00 0.00 70.33 67.85 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 -1.55 0.54 0.00 3.22 4.77 -0.28 -4.76 117.00 118.94 3ipk n LEU 653 Ca 0.04 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3ipk n LEU 653 Cb 0.22 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3ipk n LEU 653 CO 0.17 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3ipk n GLY 654 N 1.41 1.70 3.30 -0.72 0.00 -0.76 -4.58 105.19 105.53 3ipk n GLY 654 Ca 0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 0.07 -0.18 1.61 0.11 -0.42 -3.28 120.40 118.32 3ipk s VAL 655 Ca 0.00 -0.61 -0.00 0.00 -2.93 0.00 0.00 61.98 58.44 3ipk s VAL 655 Cb 0.00 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 3ipk s VAL 655 CO 0.00 -0.34 -0.16 0.12 -3.33 0.00 0.00 175.10 171.39 3ipk s PHE 656 N -3.19 2.81 -0.09 1.54 2.19 -0.58 -1.88 117.98 118.78 3ipk s PHE 656 Ca -0.01 -1.35 0.02 0.00 0.33 0.00 0.00 56.93 55.92 3ipk s PHE 656 Cb 0.01 -1.94 -0.02 0.00 -1.31 0.00 0.00 43.02 39.76 3ipk s PHE 656 CO -0.07 -0.67 -0.15 0.00 1.83 0.00 0.00 175.22 176.15 3ipk s ALA 657 N 1.20 2.56 -0.14 11.12 0.00 0.36 -0.65 121.76 136.20 3ipk s ALA 657 Ca 0.02 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 3ipk s ALA 657 Cb -0.14 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 21.97 3ipk s ALA 657 CO -0.07 0.37 0.38 0.45 0.00 0.00 0.00 175.76 176.88 3ipk s SER 658 N -0.06 -0.40 -0.02 0.00 0.15 0.07 -0.31 113.70 113.12 3ipk s SER 658 Ca -0.03 0.77 0.04 0.00 0.70 0.00 0.00 55.95 57.42 3ipk s SER 658 Cb -0.14 0.76 0.05 0.00 -1.71 0.00 0.00 66.02 64.99 3ipk s SER 658 CO 0.04 -0.14 0.94 0.00 1.20 0.00 0.00 173.24 175.28 3ipk n ALA 659 N 3.07 1.88 -1.87 5.45 0.00 -0.56 0.61 120.51 129.08 3ipk n ALA 659 Ca -0.15 -1.22 -0.42 0.00 0.00 0.00 0.00 53.44 51.65 3ipk n ALA 659 Cb 0.57 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.12 2.39 -0.98 0.00 5.04 -1.24 -4.67 117.35 116.77 3ipk s TYR 660 Ca 0.06 0.24 0.14 0.00 -2.44 0.00 0.00 57.07 55.07 3ipk s TYR 660 Cb 0.05 -4.02 0.42 0.00 0.35 0.00 0.00 41.96 38.76 3ipk s TYR 660 CO 0.01 -4.13 1.35 0.25 -1.34 0.00 0.00 175.55 171.69 3ipk n THR 661 N 4.67 1.27 0.00 4.34 -2.24 -1.26 -1.31 114.28 119.75 3ipk n THR 661 Ca 0.16 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 3ipk n THR 661 Cb 0.40 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.58 0.46 3.02 3.38 0.00 -1.26 -4.83 105.19 106.54 3ipk n GLY 662 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.88 0.32 0.82 1.61 -0.21 -1.26 -4.97 119.66 115.09 3ipk s GLN 663 Ca 0.00 -0.34 -0.11 0.00 0.02 0.00 0.00 55.36 54.92 3ipk s GLN 663 Cb 0.00 0.13 0.08 0.00 1.00 0.00 0.00 33.01 34.22 3ipk s GLN 663 CO 0.00 -0.06 1.09 0.14 -2.12 0.00 0.00 175.29 174.34 3ipk s VAL 664 N -1.04 3.06 -0.00 1.09 -7.23 -1.26 -4.87 120.40 110.15 3ipk s VAL 664 Ca -0.11 0.35 0.01 0.00 -1.81 0.00 0.00 61.98 60.41 3ipk s VAL 664 Cb -0.07 -2.96 -0.00 0.00 0.56 0.00 0.00 36.38 33.91 3ipk s VAL 664 CO 0.00 -0.45 -0.04 -1.61 -0.31 0.00 0.00 175.10 172.69 3ipk s GLU 665 N -5.02 0.32 0.31 4.82 2.02 0.40 -4.79 118.70 116.75 3ipk s GLU 665 Ca 0.61 -0.18 -0.06 0.00 0.02 0.00 0.00 54.97 55.37 3ipk s GLU 665 Cb -0.16 -0.29 -0.05 0.00 0.10 0.00 0.00 34.13 33.72 3ipk s GLU 665 CO 0.56 0.08 0.58 0.15 0.02 0.00 0.00 175.26 176.65 3ipk s LYS 666 N -0.19 3.65 -1.49 1.61 1.02 -1.26 -0.89 119.74 122.18 3ipk s LYS 666 Ca 0.01 0.06 -0.02 0.00 0.02 0.00 0.00 55.97 56.03 3ipk s LYS 666 Cb -0.02 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.70 3ipk s LYS 666 CO -0.00 0.17 0.31 0.09 -0.92 0.00 0.00 175.35 175.00 3ipk n ASN 667 N -1.02 -0.14 -4.75 2.83 3.02 -1.26 -4.94 115.26 108.99 3ipk n ASN 667 Ca -0.01 -1.11 -0.25 0.00 -0.03 0.00 0.00 54.58 53.18 3ipk n ASN 667 Cb 0.54 -2.48 -0.07 0.00 -0.61 0.00 0.00 39.78 37.16 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 -4.04 2.21 -0.17 3.41 -1.32 -1.26 -4.87 115.64 109.59 3ipk s THR 668 Ca 0.08 -1.69 -0.33 0.00 -1.21 0.00 0.00 61.69 58.54 3ipk s THR 668 Cb -0.05 -2.90 0.14 0.00 -1.51 0.00 0.00 72.50 68.18 3ipk s THR 668 CO 0.93 0.00 1.16 -0.94 -2.21 0.00 0.00 174.62 173.56 3ipk s SER 669 N -3.93 -0.18 -0.12 8.08 1.04 -1.26 -0.80 113.70 116.53 3ipk s SER 669 Ca 0.39 0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.83 3ipk s SER 669 Cb 0.03 0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.39 3ipk s SER 669 CO 0.22 -0.27 0.20 -0.51 0.98 0.00 0.00 173.24 173.85 3ipk s ILE 670 N -2.21 -0.32 -0.05 -1.02 2.07 -0.64 -0.98 121.20 118.05 3ipk s ILE 670 Ca 0.07 0.26 0.05 0.00 -1.41 0.00 0.00 60.65 59.63 3ipk s ILE 670 Cb -0.01 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.17 3ipk s ILE 670 CO -0.05 0.09 -0.20 -0.36 -1.91 0.00 0.00 174.94 172.50 3ipk s PHE 671 N 2.34 2.00 -0.13 3.50 0.08 -1.26 -2.02 117.98 122.48 3ipk s PHE 671 Ca 0.03 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.52 3ipk s PHE 671 Cb -0.13 -1.33 -0.00 0.00 -0.57 0.00 0.00 43.02 41.00 3ipk s PHE 671 CO -0.08 -0.18 -0.18 0.42 -0.10 0.00 0.00 175.22 175.10 3ipk s ILE 672 N -0.06 2.45 0.10 0.64 1.09 -0.35 -1.07 121.20 124.00 3ipk s ILE 672 Ca -0.03 -0.86 -0.23 0.00 -1.10 0.00 0.00 60.65 58.43 3ipk s ILE 672 Cb -0.12 -2.00 -0.07 0.00 -1.06 0.00 0.00 42.46 39.21 3ipk s ILE 672 CO 0.03 0.53 0.70 -0.75 -0.10 0.00 0.00 174.94 175.36 3ipk s LYS 673 N 0.63 4.44 -0.14 2.79 2.20 0.11 -1.42 119.74 128.35 3ipk s LYS 673 Ca -0.10 0.99 0.02 0.00 -0.36 0.00 0.00 55.97 56.53 3ipk s LYS 673 Cb -0.16 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3ipk s LYS 673 CO 0.03 0.50 -0.21 -0.80 -0.36 0.00 0.00 175.35 174.50 3ipk s ASN 674 N -0.78 3.08 -0.11 1.43 0.01 0.11 -1.04 114.94 117.64 3ipk s ASN 674 Ca 0.34 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 3ipk s ASN 674 Cb -0.21 -1.43 0.02 0.00 0.41 0.00 0.00 41.25 40.04 3ipk s ASN 674 CO 0.23 0.06 -0.11 -1.61 -1.51 0.00 0.00 177.10 174.16 3ipk s GLU 675 N 0.90 1.83 0.02 -0.60 2.02 -0.56 -1.18 118.70 121.12 3ipk s GLU 675 Ca -0.05 -0.39 -0.03 0.00 0.02 0.00 0.00 54.97 54.52 3ipk s GLU 675 Cb -0.15 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 3ipk s GLU 675 CO -0.04 -0.19 0.03 -0.59 0.02 0.00 0.00 175.26 174.49 3ipk s PHE 676 N 1.41 0.23 -0.02 1.61 -0.12 -0.04 -0.26 117.98 120.79 3ipk s PHE 676 Ca 0.01 -0.50 0.01 0.00 -0.05 0.00 0.00 56.93 56.39 3ipk s PHE 676 Cb -0.13 -0.17 0.01 0.00 -0.63 0.00 0.00 43.02 42.10 3ipk s PHE 676 CO -0.06 -0.26 -0.02 0.99 -0.05 0.00 0.00 175.22 175.82 3ipk s THR 677 N -1.91 0.25 -0.04 -4.49 2.01 -0.79 -1.97 115.64 108.70 3ipk s THR 677 Ca -0.11 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 3ipk s THR 677 Cb -0.06 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 3ipk s THR 677 CO -0.02 0.13 0.16 -0.36 -0.69 0.00 0.00 174.62 173.83 3ipk s PHE 678 N 0.57 3.53 0.10 4.92 0.40 -1.26 -2.00 117.98 124.23 3ipk s PHE 678 Ca -0.06 0.39 0.09 0.00 -0.60 0.00 0.00 56.93 56.75 3ipk s PHE 678 Cb -0.09 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 3ipk s PHE 678 CO -0.01 0.66 -0.22 0.71 0.70 0.00 0.00 175.22 177.06 3ipk s TYR 679 N -1.21 1.89 0.87 0.36 1.51 0.52 -0.04 117.35 121.26 3ipk s TYR 679 Ca 0.23 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.79 3ipk s TYR 679 Cb -0.12 -1.05 0.19 0.00 -0.11 0.00 0.00 41.96 40.87 3ipk s TYR 679 CO 0.13 0.21 1.19 0.16 -1.11 0.00 0.00 175.55 176.14 3ipk s ASP 680 N -1.83 3.49 0.67 2.29 1.47 -0.15 -1.10 116.67 121.51 3ipk s ASP 680 Ca 0.08 -0.16 0.42 0.00 1.18 0.00 0.00 52.55 54.07 3ipk s ASP 680 Cb -0.10 0.05 2.29 0.00 -0.34 0.00 0.00 42.92 44.82 3ipk s ASP 680 CO 0.04 -2.46 2.29 1.05 0.68 0.00 0.00 175.17 176.78 3ipk h GLU 681 N -1.20 0.00 -0.14 2.11 4.11 -1.90 -0.48 114.58 117.09 3ipk h GLU 681 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 3ipk h GLU 681 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3ipk h GLU 681 CO 0.35 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.18 3ipk n ASP 682 N -3.06 2.45 0.00 3.06 8.00 -1.26 -4.93 116.55 120.81 3ipk n ASP 682 Ca -0.03 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.66 3ipk n ASP 682 Cb 0.13 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 1.30 0.60 3.76 0.44 0.00 -0.19 -5.04 105.19 106.06 3ipk n GLY 683 Ca 0.17 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3ipk n GLY 683 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ipk s LYS 684 N -0.65 4.19 0.49 1.61 2.20 -1.26 -4.81 119.74 121.51 3ipk s LYS 684 Ca 0.00 0.37 -0.23 0.00 -0.36 0.00 0.00 55.97 55.74 3ipk s LYS 684 Cb 0.00 -3.36 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 3ipk s LYS 684 CO 0.00 0.35 1.30 -2.30 -0.36 0.00 0.00 175.35 174.34 3ipk n PRO 685 N 3.04 1.79 -3.42 4.03 -0.02 -1.26 -0.98 135.00 138.18 3ipk n PRO 685 Ca -0.10 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.63 3ipk n PRO 685 Cb 0.52 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 3ipk n PRO 685 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ipk s ILE 686 N -1.26 5.19 -0.69 4.25 1.01 0.94 -4.80 121.20 125.84 3ipk s ILE 686 Ca 0.66 0.25 -0.24 0.00 0.00 0.00 0.00 60.65 61.32 3ipk s ILE 686 Cb -0.45 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 38.33 3ipk s ILE 686 CO 0.53 0.04 1.08 0.21 0.00 0.00 0.00 174.94 176.81 3ipk s ASN 687 N 1.71 6.17 0.59 3.58 2.47 -1.26 -4.09 114.94 124.09 3ipk s ASN 687 Ca 0.12 -0.79 -0.19 0.00 0.42 0.00 0.00 52.86 52.42 3ipk s ASN 687 Cb -0.16 -2.47 -0.04 0.00 -1.45 0.00 0.00 41.25 37.13 3ipk s ASN 687 CO 0.11 -1.59 1.23 -0.36 -3.72 0.00 0.00 177.10 172.77 3ipk s PHE 688 N 4.69 2.37 -0.41 0.43 0.08 -1.10 -4.70 117.98 119.34 3ipk s PHE 688 Ca 0.27 1.50 0.02 0.00 0.12 0.00 0.00 56.93 58.83 3ipk s PHE 688 Cb -0.14 -3.53 0.13 0.00 -0.57 0.00 0.00 43.02 38.91 3ipk s PHE 688 CO 0.12 -2.33 0.22 0.34 -0.10 0.00 0.00 175.22 173.47 3ipk s ASP 689 N -1.49 3.65 -1.29 1.36 -1.08 -1.26 -0.69 116.67 115.86 3ipk s ASP 689 Ca 0.77 -2.46 -0.02 0.00 -0.52 0.00 0.00 52.55 50.32 3ipk s ASP 689 Cb -0.32 -0.96 0.01 0.00 -1.46 0.00 0.00 42.92 40.19 3ipk s ASP 689 CO 0.35 -0.29 0.86 0.59 0.52 0.00 0.00 175.17 177.21 3ipk n ASN 690 N 3.76 -2.13 -4.74 -0.34 5.03 -0.50 -4.91 115.26 111.42 3ipk n ASN 690 Ca 0.08 -0.73 -0.41 0.00 0.87 0.00 0.00 54.58 54.38 3ipk n ASN 690 Cb 0.36 -4.49 -0.03 0.00 -1.02 0.00 0.00 39.78 34.60 3ipk n ASN 690 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ipk s ALA 691 N -3.51 3.61 -0.81 5.41 0.00 0.14 -4.61 121.76 122.00 3ipk s ALA 691 Ca 0.10 1.26 -0.23 0.00 0.00 0.00 0.00 51.96 53.08 3ipk s ALA 691 Cb -0.05 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.60 3ipk s ALA 691 CO 0.78 -0.68 1.17 -1.17 0.00 0.00 0.00 175.76 175.86 3ipk s LEU 692 N -0.03 4.09 -0.04 0.00 2.96 -1.26 -1.26 118.68 123.14 3ipk s LEU 692 Ca 0.60 -1.20 -0.19 0.00 -0.22 0.00 0.00 54.13 53.12 3ipk s LEU 692 Cb -0.40 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 3ipk s LEU 692 CO 0.40 -1.46 0.53 -0.22 -1.32 0.00 0.00 176.35 174.28 3ipk s LEU 693 N 4.31 4.38 -0.12 -0.68 2.96 -0.22 -4.64 118.68 124.66 3ipk s LEU 693 Ca 0.32 1.03 -0.19 0.00 -0.22 0.00 0.00 54.13 55.07 3ipk s LEU 693 Cb -0.09 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 3ipk s LEU 693 CO 0.03 0.10 0.49 -0.55 -1.32 0.00 0.00 176.35 175.10 3ipk s SER 694 N -0.05 6.70 -0.41 3.68 0.15 0.10 -1.04 113.70 122.84 3ipk s SER 694 Ca 0.29 0.83 0.03 0.00 0.70 0.00 0.00 55.95 57.80 3ipk s SER 694 Cb -0.17 -2.29 0.11 0.00 -1.71 0.00 0.00 66.02 61.96 3ipk s SER 694 CO 0.15 -0.01 0.14 -0.69 1.20 0.00 0.00 173.24 174.02 3ipk s VAL 695 N 0.68 2.56 0.52 4.45 1.01 -0.95 -3.61 120.40 125.06 3ipk s VAL 695 Ca 0.27 -2.58 0.03 0.00 0.00 0.00 0.00 61.98 59.69 3ipk s VAL 695 Cb -0.15 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.40 3ipk s VAL 695 CO 0.11 -0.68 0.15 0.00 0.00 0.00 0.00 175.10 174.68 3ipk s ALA 696 N 0.59 4.23 -1.43 5.51 0.00 -1.26 -0.83 121.76 128.57 3ipk s ALA 696 Ca 0.12 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 3ipk s ALA 696 Cb -0.21 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.70 3ipk s ALA 696 CO -0.05 -0.18 0.94 0.45 0.00 0.00 0.00 175.76 176.91 3ipk n SER 697 N -1.45 -3.90 -4.49 0.00 2.88 -0.96 -4.86 113.62 100.84 3ipk n SER 697 Ca -0.13 -0.75 -0.44 0.00 -1.33 0.00 0.00 58.87 56.23 3ipk n SER 697 Cb 0.66 -4.15 -0.00 0.00 -0.75 0.00 0.00 64.21 59.97 3ipk n SER 697 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3ipk s LEU 698 N -7.08 4.81 0.35 2.46 1.43 -0.64 -4.99 118.68 115.02 3ipk s LEU 698 Ca 0.44 -2.89 -0.28 0.00 -1.03 0.00 0.00 54.13 50.37 3ipk s LEU 698 Cb -0.22 -2.44 -0.10 0.00 0.03 0.00 0.00 46.19 43.47 3ipk s LEU 698 CO 0.81 -0.83 1.32 0.20 0.23 0.00 0.00 176.35 178.07 3ipk s ASN 699 N 3.11 6.62 -0.18 2.29 -0.87 -1.26 -4.55 114.94 120.10 3ipk s ASN 699 Ca 0.45 2.70 -0.04 0.00 -1.57 0.00 0.00 52.86 54.41 3ipk s ASN 699 Cb -0.01 -2.65 0.06 0.00 -0.02 0.00 0.00 41.25 38.63 3ipk s ASN 699 CO 0.02 -0.64 0.06 -0.60 -2.57 0.00 0.00 177.10 173.36 3ipk s ARG 700 N -1.94 0.40 0.59 -0.60 3.52 -1.26 -0.83 118.95 118.82 3ipk s ARG 700 Ca 0.51 -0.26 0.10 0.00 -0.13 0.00 0.00 55.73 55.95 3ipk s ARG 700 Cb -0.40 -1.95 0.09 0.00 -1.56 0.00 0.00 34.95 31.13 3ipk s ARG 700 CO 0.53 -0.64 0.80 -1.21 -0.81 0.00 0.00 175.30 173.96 3ipk s GLU 701 N 1.98 2.25 0.52 5.12 8.01 0.31 -1.89 118.70 135.00 3ipk s GLU 701 Ca 0.00 -1.70 0.21 0.00 0.01 0.00 0.00 54.97 53.49 3ipk s GLU 701 Cb -0.16 -2.61 1.39 0.00 -4.31 0.00 0.00 34.13 28.44 3ipk s GLU 701 CO -0.08 -0.91 2.13 1.12 0.01 0.00 0.00 175.26 177.52 3ipk h HIS 702 N 0.15 0.00 0.00 1.61 2.07 -1.96 -3.00 115.15 114.03 3ipk h HIS 702 Ca -0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 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 0.47 0.06 0.00 0.27 -3.07 0.00 0.00 177.93 175.66 3ipk n ASN 703 N -4.16 1.67 -3.83 3.10 6.94 -1.26 -4.56 115.26 113.16 3ipk n ASN 703 Ca -0.03 -1.71 -0.13 0.00 -0.02 0.00 0.00 54.58 52.70 3ipk n ASN 703 Cb 0.15 0.00 -0.13 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 -0.71 -0.08 -0.10 0.53 0.15 -1.13 -1.85 113.70 110.51 3ipk s SER 704 Ca 0.00 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.83 3ipk s SER 704 Cb 0.00 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.49 3ipk s SER 704 CO 0.00 -0.05 -0.09 -0.63 1.20 0.00 0.00 173.24 173.67 3ipk s ILE 705 N 0.21 1.08 -0.07 6.45 1.01 -0.38 -0.53 121.20 128.98 3ipk s ILE 705 Ca -0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 3ipk s ILE 705 Cb -0.02 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 3ipk s ILE 705 CO -0.01 0.37 0.31 -0.70 0.00 0.00 0.00 174.94 174.91 3ipk s GLU 706 N 1.36 3.86 0.17 2.79 2.12 -0.01 -1.18 118.70 127.81 3ipk s GLU 706 Ca -0.01 0.20 -0.14 0.00 0.36 0.00 0.00 54.97 55.38 3ipk s GLU 706 Cb -0.14 -3.26 0.02 0.00 0.26 0.00 0.00 34.13 31.01 3ipk s GLU 706 CO -0.05 0.62 0.42 0.00 -0.54 0.00 0.00 175.26 175.71 3ipk s MET 707 N -0.73 1.26 -0.01 4.30 0.23 -0.03 -4.59 119.30 119.74 3ipk s MET 707 Ca 0.20 -0.95 0.08 0.00 -1.03 0.00 0.00 55.69 53.99 3ipk s MET 707 Cb -0.15 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.60 3ipk s MET 707 CO 0.09 -0.51 -0.26 0.00 -2.03 0.00 0.00 175.02 172.32 3ipk s ALA 708 N -3.90 2.20 0.38 3.16 0.00 -0.63 -1.52 121.76 121.45 3ipk s ALA 708 Ca 0.11 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.80 3ipk s ALA 708 Cb 0.01 -0.55 0.04 0.00 0.00 0.00 0.00 23.12 22.62 3ipk s ALA 708 CO -0.03 0.53 0.73 -1.59 0.00 0.00 0.00 175.76 175.40 3ipk s LYS 709 N -0.74 2.18 -1.42 0.00 -2.85 0.53 -0.05 119.74 117.39 3ipk s LYS 709 Ca 0.10 -1.51 -0.04 0.00 -1.00 0.00 0.00 55.97 53.52 3ipk s LYS 709 Cb -0.10 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 3ipk s LYS 709 CO -0.00 -1.00 0.33 -0.25 0.10 0.00 0.00 175.35 174.52 3ipk n ASP 710 N -1.43 -0.54 -4.70 0.03 8.00 -1.26 -0.70 116.55 115.95 3ipk n ASP 710 Ca -0.06 -1.12 -0.24 0.00 0.71 0.00 0.00 54.79 54.07 3ipk n ASP 710 Cb 0.60 -2.49 -0.07 0.00 -0.02 0.00 0.00 41.12 39.15 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 -4.03 2.85 0.36 1.24 -0.85 -1.26 -3.94 117.35 111.72 3ipk s TYR 711 Ca 0.07 -0.16 -0.04 0.00 -0.52 0.00 0.00 57.07 56.42 3ipk s TYR 711 Cb -0.03 -1.31 -0.04 0.00 0.38 0.00 0.00 41.96 40.95 3ipk s TYR 711 CO 0.93 0.56 0.62 -1.54 -1.52 0.00 0.00 175.55 174.61 3ipk s SER 712 N -3.46 6.37 0.00 -0.18 1.04 -0.65 -4.96 113.70 111.85 3ipk s SER 712 Ca 0.30 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.46 3ipk s SER 712 Cb -0.08 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3ipk s SER 712 CO 0.21 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3ipk n GLY 713 N -1.52 -1.81 3.07 7.32 0.00 -1.26 -4.80 105.19 106.19 3ipk n GLY 713 Ca -0.02 -1.64 -0.25 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 1.67 0.26 1.61 2.20 -0.11 -4.92 119.74 120.44 3ipk s LYS 714 Ca 0.00 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 3ipk s LYS 714 Cb 0.00 -1.42 -0.09 0.00 -1.51 0.00 0.00 37.83 34.81 3ipk s LYS 714 CO 0.00 0.13 1.25 0.12 -0.36 0.00 0.00 175.35 176.48 3ipk s PHE 715 N 0.35 3.29 -0.13 4.03 5.36 -1.26 -0.48 117.98 129.14 3ipk s PHE 715 Ca -0.09 1.41 -0.00 0.00 -0.96 0.00 0.00 56.93 57.29 3ipk s PHE 715 Cb -0.13 -3.53 0.03 0.00 -0.34 0.00 0.00 43.02 39.04 3ipk s PHE 715 CO 0.03 -1.49 -0.08 0.08 -1.46 0.00 0.00 175.22 172.30 3ipk s VAL 716 N -0.58 1.12 0.53 3.12 1.01 0.47 -4.92 120.40 121.14 3ipk s VAL 716 Ca 0.51 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 3ipk s VAL 716 Cb -0.36 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 3ipk s VAL 716 CO 0.43 0.31 1.01 -0.75 0.00 0.00 0.00 175.10 176.10 3ipk s LYS 717 N 1.66 3.76 -0.21 2.72 2.20 -1.26 -1.90 119.74 126.71 3ipk s LYS 717 Ca 0.04 1.09 -0.06 0.00 -0.36 0.00 0.00 55.97 56.68 3ipk s LYS 717 Cb -0.13 -2.10 -0.03 0.00 -1.51 0.00 0.00 37.83 34.06 3ipk s LYS 717 CO -0.08 -0.43 0.03 0.42 -0.36 0.00 0.00 175.35 174.92 3ipk s ILE 718 N -2.46 4.17 0.17 5.43 1.01 -1.26 -1.52 121.20 126.75 3ipk s ILE 718 Ca 0.62 -0.24 -0.34 0.00 0.00 0.00 0.00 60.65 60.69 3ipk s ILE 718 Cb -0.12 -2.90 -0.14 0.00 0.01 0.00 0.00 42.46 39.31 3ipk s ILE 718 CO 0.30 0.41 1.55 -1.20 0.00 0.00 0.00 174.94 176.01 3ipk n SER 719 N 4.27 3.01 0.00 3.58 7.64 0.61 -1.73 113.62 130.99 3ipk n SER 719 Ca -0.17 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.80 3ipk n SER 719 Cb 0.52 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 3ipk n SER 719 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ipk n GLY 720 N 3.27 1.80 3.80 0.23 0.00 -1.26 -0.34 105.19 112.68 3ipk n GLY 720 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.22 5.70 0.22 1.61 0.15 -0.71 -4.89 113.70 112.55 3ipk s SER 721 Ca 0.00 1.80 0.26 0.00 0.70 0.00 0.00 55.95 58.71 3ipk s SER 721 Cb 0.00 -2.53 0.84 0.00 -1.71 0.00 0.00 66.02 62.62 3ipk s SER 721 CO 0.00 -1.22 1.77 -1.54 1.20 0.00 0.00 173.24 173.45 3ipk n SER 722 N -2.18 0.79 -4.70 5.45 3.41 -0.26 -4.81 113.62 111.32 3ipk n SER 722 Ca 0.09 0.59 -0.40 0.00 -0.26 0.00 0.00 58.87 58.88 3ipk n SER 722 Cb 0.53 -0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 3ipk n SER 722 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ipk s ILE 723 N -3.13 5.01 0.03 -1.33 -1.09 -1.26 -3.30 121.20 116.13 3ipk s ILE 723 Ca 0.10 1.49 0.00 0.00 -2.23 0.00 0.00 60.65 60.01 3ipk s ILE 723 Cb 0.12 -4.07 -0.00 0.00 -1.58 0.00 0.00 42.46 36.93 3ipk s ILE 723 CO 0.57 0.20 0.03 0.61 -1.23 0.00 0.00 174.94 175.12 3ipk n GLY 724 N 3.21 3.73 3.14 6.18 0.00 -0.18 -4.67 105.19 116.59 3ipk n GLY 724 Ca 0.00 -1.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.10 2.12 -0.13 1.61 -6.30 -1.26 -1.76 118.70 110.88 3ipk s GLU 725 Ca 0.03 -0.64 -0.06 0.00 -2.50 0.00 0.00 54.97 51.79 3ipk s GLU 725 Cb 0.00 -1.74 0.06 0.00 0.00 0.00 0.00 34.13 32.45 3ipk s GLU 725 CO 0.02 0.18 0.30 0.21 0.02 0.00 0.00 175.26 176.00 3ipk s LYS 726 N 0.26 0.25 -1.45 4.30 2.20 0.24 -4.90 119.74 120.64 3ipk s LYS 726 Ca -0.10 0.67 -0.10 0.00 -0.36 0.00 0.00 55.97 56.08 3ipk s LYS 726 Cb -0.14 -0.05 0.05 0.00 -1.51 0.00 0.00 37.83 36.18 3ipk s LYS 726 CO 0.04 -0.19 0.95 0.09 -0.36 0.00 0.00 175.35 175.88 3ipk n ASN 727 N 4.50 -4.13 0.00 1.43 3.02 -1.26 -1.43 115.26 117.39 3ipk n ASN 727 Ca -0.21 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3ipk n ASN 727 Cb 0.53 -4.11 0.00 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 -1.70 0.38 3.34 7.41 0.00 -1.26 -5.01 105.19 108.36 3ipk n GLY 728 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.61 2.19 -0.28 1.61 -1.94 -0.52 -4.15 119.30 115.61 3ipk s MET 729 Ca 0.00 -0.88 -0.09 0.00 -1.71 0.00 0.00 55.69 53.01 3ipk s MET 729 Cb 0.00 -2.11 -0.03 0.00 2.01 0.00 0.00 34.83 34.70 3ipk s MET 729 CO 0.00 0.57 0.13 0.42 -0.01 0.00 0.00 175.02 176.13 3ipk s ILE 730 N -0.63 4.69 0.10 2.53 -1.09 0.92 -0.59 121.20 127.13 3ipk s ILE 730 Ca 0.10 -0.17 -0.21 0.00 -2.23 0.00 0.00 60.65 58.14 3ipk s ILE 730 Cb -0.10 -3.28 0.07 0.00 -1.58 0.00 0.00 42.46 37.57 3ipk s ILE 730 CO -0.01 0.21 0.98 0.00 -1.23 0.00 0.00 174.94 174.90 3ipk n TYR 731 N 4.98 -0.97 -2.31 3.97 4.11 -0.72 -1.60 117.16 124.62 3ipk n TYR 731 Ca -0.15 -0.96 -0.35 0.00 -0.00 0.00 0.00 57.90 56.44 3ipk n TYR 731 Cb 0.51 0.46 -0.04 0.00 -0.00 0.00 0.00 39.34 40.27 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 -1.91 2.25 0.27 -3.48 0.00 -1.26 -1.01 121.76 116.63 3ipk s ALA 732 Ca 0.22 -1.70 0.06 0.00 0.00 0.00 0.00 51.96 50.54 3ipk s ALA 732 Cb -0.02 -4.49 0.36 0.00 0.00 0.00 0.00 23.12 18.98 3ipk s ALA 732 CO 0.03 -4.07 1.63 1.79 0.00 0.00 0.00 175.76 175.14 3ipk h THR 733 N 6.90 1.36 0.00 0.00 1.35 -1.84 -3.38 112.91 117.29 3ipk h THR 733 Ca 0.06 -1.78 -0.18 0.00 -0.55 0.00 0.00 66.41 63.96 3ipk h THR 733 Cb 1.03 1.88 -0.03 0.00 -1.73 0.00 0.00 68.15 69.29 3ipk h THR 733 CO 1.31 0.53 -1.69 0.47 -0.25 0.00 0.00 175.52 175.89 3ipk n ASP 734 N -3.93 2.49 -4.25 5.36 8.00 -1.26 -5.07 116.55 117.89 3ipk n ASP 734 Ca -0.02 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.30 3ipk n ASP 734 Cb 0.55 0.79 -0.10 0.00 -0.02 0.00 0.00 41.12 42.35 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 -2.27 0.57 0.68 -3.53 -4.23 -1.26 -4.89 115.64 100.70 3ipk s THR 735 Ca -0.05 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.42 3ipk s THR 735 Cb 0.03 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.33 3ipk s THR 735 CO 0.42 0.00 0.96 -0.76 -0.54 0.00 0.00 174.62 174.70 3ipk s LEU 736 N -3.36 2.98 0.00 4.79 1.43 -0.68 -4.76 118.68 119.07 3ipk s LEU 736 Ca 0.36 0.15 0.11 0.00 -1.03 0.00 0.00 54.13 53.73 3ipk s LEU 736 Cb 0.07 -2.78 0.19 0.00 0.03 0.00 0.00 46.19 43.70 3ipk s LEU 736 CO 0.15 -1.58 1.07 -0.46 0.23 0.00 0.00 176.35 175.75 3ipk n ASN 737 N -2.78 0.42 -0.06 2.29 0.23 -0.79 -3.41 115.26 111.16 3ipk n ASN 737 Ca 0.10 -1.98 -0.06 0.00 -0.53 0.00 0.00 54.58 52.10 3ipk n ASN 737 Cb 0.60 -0.23 -0.04 0.00 -2.08 0.00 0.00 39.78 38.03 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 0.43 0.00 -3.57 -2.53 3.57 -1.77 -3.32 116.94 109.76 3ipk h PHE 738 Ca -0.11 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.90 3ipk h PHE 738 Cb 1.61 0.00 -0.33 0.00 2.79 0.00 0.00 35.95 40.02 3ipk h PHE 738 CO 0.12 0.36 -0.81 0.21 -2.23 0.00 0.00 178.31 175.96 3ipk s LYS 739 N -1.90 1.51 0.05 1.11 2.20 -1.26 -0.37 119.74 121.07 3ipk s LYS 739 Ca -0.10 -0.40 -0.37 0.00 -0.36 0.00 0.00 55.97 54.75 3ipk s LYS 739 Cb 0.00 -1.29 -0.16 0.00 -1.51 0.00 0.00 37.83 34.87 3ipk s LYS 739 CO 0.25 0.07 1.43 0.94 -0.36 0.00 0.00 175.35 177.68 3ipk n GLN 740 N 3.63 1.29 -0.14 4.03 7.27 -1.21 -0.74 117.38 131.51 3ipk n GLN 740 Ca -0.22 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.32 3ipk n GLN 740 Cb 0.52 -2.14 0.00 0.00 2.41 0.00 0.00 30.24 31.04 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 2.87 2.12 3.56 1.69 0.00 0.18 -4.95 105.19 110.67 3ipk n GLY 741 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.20 3.88 -1.46 1.61 2.02 0.08 -4.50 118.70 120.12 3ipk s GLU 742 Ca 0.00 -0.37 -0.06 0.00 0.02 0.00 0.00 54.97 54.56 3ipk s GLU 742 Cb 0.00 -3.43 0.03 0.00 0.10 0.00 0.00 34.13 30.83 3ipk s GLU 742 CO 0.00 -0.05 0.53 0.41 0.02 0.00 0.00 175.26 176.18 3ipk n GLY 743 N 4.56 -0.51 2.15 -1.39 0.00 -1.26 -2.03 105.19 106.71 3ipk n GLY 743 Ca -0.15 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.37 0.88 3.72 -0.02 0.00 -1.26 -1.69 105.19 105.45 3ipk n GLY 744 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.01 6.91 0.12 1.61 0.15 -0.86 -4.77 113.70 113.85 3ipk s SER 745 Ca 0.00 2.25 -0.06 0.00 0.70 0.00 0.00 55.95 58.84 3ipk s SER 745 Cb 0.00 -2.59 -0.11 0.00 -1.71 0.00 0.00 66.02 61.62 3ipk s SER 745 CO 0.00 -0.58 1.30 -0.09 1.20 0.00 0.00 173.24 175.07 3ipk h ARG 746 N 6.60 0.49 -4.82 5.44 2.43 -1.87 0.54 114.38 123.20 3ipk h ARG 746 Ca -0.42 -0.50 -0.29 0.00 -0.81 0.00 0.00 59.98 57.95 3ipk h ARG 746 Cb 1.21 0.14 -0.15 0.00 -0.42 0.00 0.00 29.97 30.75 3ipk h ARG 746 CO 0.84 1.14 -0.66 -1.58 -1.51 0.00 0.00 179.97 178.20 3ipk s TRP 747 N -3.36 1.23 -0.13 2.20 0.51 -1.26 -4.61 118.94 113.52 3ipk s TRP 747 Ca -0.07 -1.02 -0.19 0.00 -2.12 0.00 0.00 56.10 52.70 3ipk s TRP 747 Cb 0.09 -0.70 -0.04 0.00 -0.81 0.00 0.00 33.47 32.01 3ipk s TRP 747 CO 0.88 -0.21 0.54 0.99 -0.51 0.00 0.00 176.95 178.64 3ipk s THR 748 N -3.65 5.13 0.40 2.01 2.01 -1.26 -3.29 115.64 116.98 3ipk s THR 748 Ca 0.24 1.07 0.13 0.00 0.31 0.00 0.00 61.69 63.44 3ipk s THR 748 Cb 0.06 -3.88 0.13 0.00 0.01 0.00 0.00 72.50 68.82 3ipk s THR 748 CO 0.04 0.26 1.89 0.00 -0.69 0.00 0.00 174.62 176.12 3ipk h MET 749 N 6.95 0.02 -6.14 4.92 -0.00 -0.81 0.15 114.93 120.02 3ipk h MET 749 Ca -0.39 -0.01 -0.55 0.00 -0.00 0.00 0.00 59.70 58.75 3ipk h MET 749 Cb 1.17 -0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.75 3ipk h MET 749 CO 0.75 0.31 -0.38 1.52 -0.00 0.00 0.00 176.91 179.11 3ipk s TYR 750 N -4.38 3.49 0.05 -0.10 -0.85 -1.26 -2.64 117.35 111.65 3ipk s TYR 750 Ca -0.03 0.30 -0.31 0.00 -0.52 0.00 0.00 57.07 56.51 3ipk s TYR 750 Cb 0.15 -1.81 -0.06 0.00 0.38 0.00 0.00 41.96 40.62 3ipk s TYR 750 CO 0.72 0.44 1.27 0.21 -1.52 0.00 0.00 175.55 176.67 3ipk s LYS 751 N -3.12 4.38 0.00 -3.49 2.47 -1.26 -1.95 119.74 116.76 3ipk s LYS 751 Ca 0.37 1.85 0.00 0.00 -1.56 0.00 0.00 55.97 56.63 3ipk s LYS 751 Cb -0.11 -3.38 0.00 0.00 -1.46 0.00 0.00 37.83 32.87 3ipk s LYS 751 CO 0.28 -0.36 0.00 0.27 0.16 0.00 0.00 175.35 175.70 3ipk n ASN 752 N 4.29 0.00 0.08 1.43 0.23 -1.26 -4.89 115.26 115.13 3ipk n ASN 752 Ca 0.10 -0.36 0.11 0.00 -0.53 0.00 0.00 54.58 53.91 3ipk n ASN 752 Cb 0.45 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.60 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 -0.61 0.45 -4.77 0.53 7.64 -1.26 -4.84 113.62 110.76 3ipk n SER 753 Ca 0.00 0.58 -0.38 0.00 1.01 0.00 0.00 58.87 60.09 3ipk n SER 753 Cb 0.00 -0.69 -0.04 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 4.34 0.39 1.43 -0.21 -1.26 -5.00 119.66 116.21 3ipk s GLN 754 Ca 0.08 1.59 -0.27 0.00 0.02 0.00 0.00 55.36 56.78 3ipk s GLN 754 Cb 0.11 -2.76 -0.09 0.00 1.00 0.00 0.00 33.01 31.27 3ipk s GLN 754 CO 0.43 0.00 1.34 0.00 -2.12 0.00 0.00 175.29 174.94 3ipk s ALA 755 N -1.50 3.34 0.00 6.09 0.00 -1.26 -2.31 121.76 126.12 3ipk s ALA 755 Ca 0.53 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.80 3ipk s ALA 755 Cb -0.25 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3ipk s ALA 755 CO 0.31 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.62 3ipk n GLY 756 N 0.65 0.59 3.74 0.00 0.00 -1.26 -4.85 105.19 104.07 3ipk n GLY 756 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.54 3.90 -0.50 1.61 1.04 -0.98 -3.88 113.70 112.35 3ipk s SER 757 Ca 0.00 1.58 0.00 0.00 0.48 0.00 0.00 55.95 58.01 3ipk s SER 757 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.85 3ipk s SER 757 CO 0.00 -2.38 0.00 0.61 0.98 0.00 0.00 173.24 172.45 3ipk n GLY 758 N -1.25 0.32 0.26 7.32 0.00 0.51 -4.74 105.19 107.62 3ipk n GLY 758 Ca 0.08 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.37 1.61 5.08 -1.57 -3.31 115.95 117.39 3ipk h TRP 759 Ca -0.13 0.00 -0.72 0.00 1.08 0.00 0.00 58.89 59.13 3ipk h TRP 759 Cb 0.89 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.99 3ipk h TRP 759 CO 0.15 0.05 2.94 -3.47 -1.28 0.00 0.00 178.44 176.82 3ipk n ASP 760 N -4.33 4.91 -3.74 0.11 2.03 -1.08 -3.72 116.55 110.72 3ipk n ASP 760 Ca -0.03 -2.88 -0.13 0.00 0.52 0.00 0.00 54.79 52.26 3ipk n ASP 760 Cb 0.13 -1.59 -0.08 0.00 -0.72 0.00 0.00 41.12 38.85 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 2.41 -0.21 0.26 1.67 1.04 -1.25 -4.96 113.70 112.66 3ipk s SER 761 Ca 0.48 0.08 -0.02 0.00 0.48 0.00 0.00 55.95 56.97 3ipk s SER 761 Cb 0.14 0.34 0.56 0.00 0.10 0.00 0.00 66.02 67.15 3ipk s SER 761 CO -0.06 -0.49 1.69 0.77 0.98 0.00 0.00 173.24 176.13 3ipk h SER 762 N 3.67 0.16 -0.51 7.02 4.64 -1.94 -2.63 113.55 123.96 3ipk h SER 762 Ca -0.30 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3ipk h SER 762 Cb 1.18 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3ipk h SER 762 CO 0.41 -0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.46 3ipk n ASP 763 N -5.10 4.24 -4.71 4.97 5.75 -1.26 -4.98 116.55 115.47 3ipk n ASP 763 Ca 0.17 -2.48 -0.42 0.00 -0.01 0.00 0.00 54.79 52.05 3ipk n ASP 763 Cb 0.52 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.08 3ipk n ASP 763 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ipk s ALA 764 N -1.89 3.56 0.54 2.12 0.00 -0.99 -4.89 121.76 120.20 3ipk s ALA 764 Ca 0.44 1.02 0.23 0.00 0.00 0.00 0.00 51.96 53.64 3ipk s ALA 764 Cb 0.29 -3.54 1.40 0.00 0.00 0.00 0.00 23.12 21.27 3ipk s ALA 764 CO 0.19 -0.66 2.07 -1.00 0.00 0.00 0.00 175.76 176.36 3ipk h PRO 765 N 7.07 0.00 -0.54 0.00 0.13 -1.91 -1.75 132.00 135.01 3ipk h PRO 765 Ca -0.41 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.46 3ipk h PRO 765 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 3ipk h PRO 765 CO 0.87 0.00 0.14 0.27 -0.23 0.00 0.00 178.00 179.04 3ipk n ASN 766 N -4.34 3.02 0.12 1.44 6.94 -1.26 -4.59 115.26 116.59 3ipk n ASN 766 Ca 0.04 -3.66 0.10 0.00 -0.02 0.00 0.00 54.58 51.04 3ipk n ASN 766 Cb 0.38 -0.69 0.46 0.00 -2.36 0.00 0.00 39.78 37.57 3ipk n ASN 766 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3ipk n SER 767 N -1.04 0.51 0.22 0.53 3.41 -0.66 -1.55 113.62 115.03 3ipk n SER 767 Ca 0.40 0.66 0.15 0.00 -0.26 0.00 0.00 58.87 59.83 3ipk n SER 767 Cb 1.21 -0.76 0.73 0.00 -0.26 0.00 0.00 64.21 65.14 3ipk n SER 767 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3ipk h TRP 768 N 0.00 0.00 -0.04 7.33 5.08 -1.81 -2.61 115.95 123.90 3ipk h TRP 768 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 3ipk h TRP 768 Cb 0.21 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.37 3ipk h TRP 768 CO 0.00 0.00 0.06 -0.92 -1.28 0.00 0.00 178.44 176.30 3ipk h TYR 769 N 0.00 0.00 0.00 0.12 3.20 -1.63 -1.70 116.97 116.96 3ipk h TYR 769 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3ipk h TYR 769 Cb 0.21 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.42 3ipk h TYR 769 CO 0.00 0.00 -0.50 0.41 -1.64 0.00 0.00 178.16 176.43 3ipk n GLY 770 N -1.28 4.38 3.31 1.82 0.00 -0.98 -1.10 105.19 111.33 3ipk n GLY 770 Ca -0.02 -1.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.63 1.67 0.00 4.61 0.00 -0.64 -1.62 121.76 123.15 3ipk s ALA 771 Ca 0.35 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.54 3ipk s ALA 771 Cb 0.35 0.76 0.00 0.00 0.00 0.00 0.00 23.12 24.23 3ipk s ALA 771 CO -0.07 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.74 3ipk n GLY 772 N -0.40 3.61 3.38 0.00 0.00 -0.01 -4.56 105.19 107.21 3ipk n GLY 772 Ca -0.03 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.05 4.61 0.00 -0.80 -2.24 121.76 121.47 3ipk s ALA 773 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 3ipk s ALA 773 Cb 0.00 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.93 3ipk s ALA 773 CO 0.00 -0.69 0.01 0.42 0.00 0.00 0.00 175.76 175.50 3ipk s ILE 774 N -3.89 0.24 -0.31 0.00 1.01 -0.20 -0.39 121.20 117.66 3ipk s ILE 774 Ca 0.10 0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.69 3ipk s ILE 774 Cb 0.02 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 3ipk s ILE 774 CO -0.05 0.20 0.59 -0.54 0.00 0.00 0.00 174.94 175.15 3ipk s LYS 775 N 1.57 3.87 0.09 2.79 1.02 0.37 -1.06 119.74 128.40 3ipk s LYS 775 Ca -0.02 0.22 0.07 0.00 0.02 0.00 0.00 55.97 56.25 3ipk s LYS 775 Cb -0.13 -3.73 -0.04 0.00 -0.52 0.00 0.00 37.83 33.41 3ipk s LYS 775 CO -0.03 -0.55 -0.10 -1.64 -0.92 0.00 0.00 175.35 172.11 3ipk s MET 776 N 2.53 2.18 0.12 1.68 -1.94 -0.39 -0.94 119.30 122.54 3ipk s MET 776 Ca 0.23 -0.99 0.03 0.00 -1.71 0.00 0.00 55.69 53.26 3ipk s MET 776 Cb -0.15 -2.33 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 3ipk s MET 776 CO 0.12 0.52 -0.09 -1.12 -0.01 0.00 0.00 175.02 174.44 3ipk s SER 777 N -2.12 1.46 0.00 3.03 0.01 -1.26 0.26 113.70 115.07 3ipk s SER 777 Ca 0.21 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.49 3ipk s SER 777 Cb -0.11 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.16 3ipk s SER 777 CO 0.13 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.01 3ipk n GLY 778 N -0.03 -0.02 0.20 3.44 0.00 0.13 -4.76 105.19 104.15 3ipk n GLY 778 Ca -0.12 -1.68 0.09 0.00 0.00 0.00 0.00 46.02 44.31 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 -4.82 1.61 0.13 -1.87 -2.90 132.00 124.15 3ipk h PRO 779 Ca 0.00 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.45 3ipk h PRO 779 Cb 0.00 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 30.79 3ipk h PRO 779 CO 0.00 0.19 -0.73 -0.80 -0.23 0.00 0.00 178.00 176.43 3ipk s ASN 780 N -6.25 4.69 0.29 1.44 0.01 -1.26 -4.30 114.94 109.56 3ipk s ASN 780 Ca 0.05 -1.25 0.10 0.00 -0.71 0.00 0.00 52.86 51.04 3ipk s ASN 780 Cb 0.07 -1.66 -0.06 0.00 0.41 0.00 0.00 41.25 40.01 3ipk s ASN 780 CO 0.68 -0.22 -0.14 0.20 -1.51 0.00 0.00 177.10 176.11 3ipk s ASN 781 N 1.22 3.41 0.12 -1.22 0.01 -0.83 -4.99 114.94 112.67 3ipk s ASN 781 Ca -0.06 -1.11 -0.16 0.00 -0.71 0.00 0.00 52.86 50.83 3ipk s ASN 781 Cb -0.19 -0.28 0.03 0.00 0.41 0.00 0.00 41.25 41.22 3ipk s ASN 781 CO -0.03 -0.11 0.40 -0.72 -1.51 0.00 0.00 177.10 175.13 3ipk s TYR 782 N -2.66 -0.20 -0.22 2.20 1.13 -1.26 -0.87 117.35 115.47 3ipk s TYR 782 Ca 0.30 -0.11 -0.27 0.00 -1.41 0.00 0.00 57.07 55.58 3ipk s TYR 782 Cb -0.01 0.25 0.10 0.00 -1.10 0.00 0.00 41.96 41.20 3ipk s TYR 782 CO 0.14 -0.70 0.86 0.08 -2.51 0.00 0.00 175.55 173.42 3ipk s VAL 783 N -3.79 0.00 -0.19 -3.49 1.01 -0.33 -1.64 120.40 111.98 3ipk s VAL 783 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 3ipk s VAL 783 Cb 0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3ipk s VAL 783 CO -0.12 0.00 0.00 -0.89 0.00 0.00 0.00 175.10 174.09 3ipk s THR 784 N -0.13 4.07 -0.00 3.92 2.01 0.12 0.08 115.64 125.71 3ipk s THR 784 Ca -0.01 -0.28 0.07 0.00 0.31 0.00 0.00 61.69 61.78 3ipk s THR 784 Cb -0.04 -2.83 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 3ipk s THR 784 CO 0.00 0.44 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.47 3ipk s VAL 785 N 0.78 1.66 0.06 3.82 1.01 -0.50 -0.35 120.40 126.89 3ipk s VAL 785 Ca 0.01 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 3ipk s VAL 785 Cb -0.14 -1.39 0.09 0.00 0.00 0.00 0.00 36.38 34.93 3ipk s VAL 785 CO 0.02 0.42 1.19 -0.83 0.00 0.00 0.00 175.10 175.89 3ipk s GLY 786 N -0.63 -0.05 -0.03 4.51 0.00 -0.58 -1.22 107.32 109.33 3ipk s GLY 786 Ca 0.08 -0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.80 3ipk s GLY 786 CO -0.00 4.03 -0.24 0.00 0.00 0.00 0.00 173.10 176.89 3ipk s ALA 787 N -2.11 2.25 0.00 3.20 0.00 -0.86 -0.85 121.76 123.40 3ipk s ALA 787 Ca 0.25 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 3ipk s ALA 787 Cb -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.48 3ipk s ALA 787 CO 0.02 0.53 0.16 -0.08 0.00 0.00 0.00 175.76 176.38 3ipk s THR 788 N -0.60 0.08 0.40 0.00 -1.32 -0.32 -1.62 115.64 112.26 3ipk s THR 788 Ca 0.09 -0.68 -0.27 0.00 -1.21 0.00 0.00 61.69 59.62 3ipk s THR 788 Cb -0.10 -0.49 -0.10 0.00 -1.51 0.00 0.00 72.50 70.30 3ipk s THR 788 CO -0.00 -0.37 1.45 -0.44 -2.21 0.00 0.00 174.62 173.04 3ipk s SER 789 N -1.43 6.17 0.37 8.08 0.01 0.02 -1.25 113.70 125.67 3ipk s SER 789 Ca -0.14 2.98 0.10 0.00 1.31 0.00 0.00 55.95 60.20 3ipk s SER 789 Cb -0.07 -2.66 0.85 0.00 0.21 0.00 0.00 66.02 64.35 3ipk s SER 789 CO 0.02 -0.98 1.88 0.00 0.41 0.00 0.00 173.24 174.57 3ipk h ALA 790 N 2.74 1.87 0.00 1.44 0.00 -1.65 -0.72 119.26 122.94 3ipk h ALA 790 Ca -0.51 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ipk h ALA 790 Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ipk h ALA 790 CO 0.63 -0.09 0.00 1.79 0.00 0.00 0.00 179.25 181.57 3ipk h THR 791 N 0.65 0.00 0.00 0.00 1.35 -1.83 -1.14 112.91 111.94 3ipk h THR 791 Ca 0.42 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 3ipk h THR 791 Cb 0.71 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3ipk h THR 791 CO -0.18 0.00 -0.15 0.78 -0.25 0.00 0.00 175.52 175.71 3ipk h ASN 792 N 0.00 0.00 0.03 5.36 2.35 -1.48 -3.35 115.58 118.48 3ipk h ASN 792 Ca 0.00 -0.02 -0.37 0.00 -0.55 0.00 0.00 56.30 55.36 3ipk h ASN 792 Cb 0.09 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.39 3ipk h ASN 792 CO 0.00 0.01 -2.37 0.52 -1.65 0.00 0.00 177.43 173.94 3ipk n VAL 793 N -2.67 1.43 -3.59 2.81 0.31 -0.46 -5.06 118.33 111.10 3ipk n VAL 793 Ca 0.04 -0.80 -0.10 0.00 -0.01 0.00 0.00 64.34 63.47 3ipk n VAL 793 Cb 0.49 -0.69 -0.03 0.00 -0.91 0.00 0.00 33.84 32.70 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 1.37 0.52 5.55 0.23 -1.00 -5.15 119.30 118.32 3ipk s MET 794 Ca -0.15 -0.67 -0.20 0.00 -1.03 0.00 0.00 55.69 53.64 3ipk s MET 794 Cb 0.07 0.57 -0.07 0.00 -1.53 0.00 0.00 34.83 33.87 3ipk s MET 794 CO 0.78 -0.60 1.12 -1.25 -2.03 0.00 0.00 175.02 173.05 3ipk s PRO 795 N -3.81 3.50 0.54 3.16 0.04 -1.26 -4.42 135.00 132.75 3ipk s PRO 795 Ca 0.05 1.61 0.29 0.00 0.04 0.00 0.00 61.00 62.98 3ipk s PRO 795 Cb -0.02 -2.10 1.45 0.00 0.04 0.00 0.00 34.50 33.88 3ipk s PRO 795 CO -0.07 -0.73 1.93 0.28 0.04 0.00 0.00 177.00 178.45 3ipk h VAL 796 N 1.38 0.59 0.00 -0.36 2.07 -1.94 -0.48 116.25 117.52 3ipk h VAL 796 Ca -0.50 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3ipk h VAL 796 Cb 1.25 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3ipk h VAL 796 CO 0.58 0.00 -0.04 0.77 0.02 0.00 0.00 177.57 178.90 3ipk h SER 797 N 0.00 0.00 0.11 0.57 4.64 -2.02 -2.62 113.55 114.23 3ipk h SER 797 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3ipk h SER 797 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3ipk h SER 797 CO -0.00 0.04 -0.19 0.47 -0.87 0.00 0.00 176.83 176.27 3ipk n ASP 798 N -3.18 1.46 -4.82 4.97 9.92 -0.19 -4.96 116.55 119.75 3ipk n ASP 798 Ca -0.00 -1.24 -0.36 0.00 -0.53 0.00 0.00 54.79 52.66 3ipk n ASP 798 Cb 0.27 0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 40.83 3ipk n ASP 798 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3ipk s MET 799 N -2.32 4.25 0.61 -1.24 -1.94 -0.99 -5.04 119.30 112.64 3ipk s MET 799 Ca 0.28 0.87 -0.19 0.00 -1.71 0.00 0.00 55.69 54.93 3ipk s MET 799 Cb 0.20 -2.85 -0.03 0.00 2.01 0.00 0.00 34.83 34.15 3ipk s MET 799 CO 0.46 0.38 1.26 -2.30 -0.01 0.00 0.00 175.02 174.81 3ipk n PRO 800 N 0.66 1.25 -4.23 2.03 -0.02 -1.26 -4.98 135.00 128.46 3ipk n PRO 800 Ca -0.02 0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 3ipk n PRO 800 Cb 0.51 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 3ipk n PRO 800 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ipk s VAL 801 N -1.37 3.91 -0.17 -1.45 1.01 -1.26 -4.99 120.40 116.08 3ipk s VAL 801 Ca 0.78 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.44 3ipk s VAL 801 Cb -0.40 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.26 3ipk s VAL 801 CO 0.44 0.46 -0.20 -0.69 0.00 0.00 0.00 175.10 175.11 3ipk s VAL 802 N 0.70 2.02 0.14 2.92 1.01 -1.26 -4.35 120.40 121.57 3ipk s VAL 802 Ca -0.01 -0.92 -0.35 0.00 0.00 0.00 0.00 61.98 60.70 3ipk s VAL 802 Cb -0.14 -1.82 -0.15 0.00 0.00 0.00 0.00 36.38 34.27 3ipk s VAL 802 CO 0.02 0.53 1.48 -2.65 0.00 0.00 0.00 175.10 174.48 3ipk n PRO 803 N 4.51 1.78 -0.99 2.72 -0.02 -1.26 -1.62 135.00 140.12 3ipk n PRO 803 Ca -0.20 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3ipk n PRO 803 Cb 0.50 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 3.02 0.79 3.09 -1.23 0.00 -1.26 -5.02 105.19 104.57 3ipk n GLY 804 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.06 2.40 -0.29 1.61 1.02 -0.64 -5.10 119.74 118.68 3ipk s LYS 805 Ca 0.00 -0.63 -0.20 0.00 0.02 0.00 0.00 55.97 55.16 3ipk s LYS 805 Cb 0.00 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.30 3ipk s LYS 805 CO 0.00 -0.03 0.63 0.34 -0.92 0.00 0.00 175.35 175.36 3ipk s ASP 806 N 0.89 6.51 0.32 2.83 -1.08 -1.26 -4.58 116.67 120.30 3ipk s ASP 806 Ca -0.08 0.50 0.25 0.00 -0.52 0.00 0.00 52.55 52.70 3ipk s ASP 806 Cb -0.15 -2.33 1.12 0.00 -1.46 0.00 0.00 42.92 40.10 3ipk s ASP 806 CO -0.01 -0.45 1.74 0.78 0.52 0.00 0.00 175.17 177.76 3ipk h ASN 807 N 8.11 0.00 0.01 -0.34 2.35 -1.95 -2.41 115.58 121.35 3ipk h ASN 807 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3ipk h ASN 807 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3ipk h ASN 807 CO 0.79 0.00 -0.03 0.35 -1.65 0.00 0.00 177.43 176.89 3ipk n THR 808 N -2.35 0.00 -1.71 2.81 -2.24 -1.26 -4.38 114.28 105.15 3ipk n THR 808 Ca 0.01 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 3ipk n THR 808 Cb 0.17 0.58 0.01 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.18 2.67 -4.67 3.42 9.92 -0.91 -4.84 116.55 122.32 3ipk n ASP 809 Ca 0.18 1.12 -0.29 0.00 -0.53 0.00 0.00 54.79 55.26 3ipk n ASP 809 Cb 0.37 -1.51 0.17 0.00 -0.64 0.00 0.00 41.12 39.51 3ipk n ASP 809 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3ipk s GLY 810 N -0.50 1.61 0.27 0.44 0.00 -1.26 -4.87 107.32 103.01 3ipk s GLY 810 Ca 0.60 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 45.31 3ipk s GLY 810 CO 0.58 0.50 0.16 -1.59 0.00 0.00 0.00 173.10 172.75 3ipk s LYS 811 N -4.82 1.49 0.03 2.90 -2.85 -0.07 -4.66 119.74 111.76 3ipk s LYS 811 Ca 0.65 -1.83 -0.23 0.00 -1.00 0.00 0.00 55.97 53.55 3ipk s LYS 811 Cb -0.20 0.06 -0.06 0.00 -2.06 0.00 0.00 37.83 35.57 3ipk s LYS 811 CO 0.58 -0.45 0.70 0.15 0.10 0.00 0.00 175.35 176.43 3ipk s LYS 812 N -3.88 4.43 -1.34 1.78 1.02 -1.26 -0.46 119.74 120.03 3ipk s LYS 812 Ca 0.38 0.94 -0.09 0.00 0.02 0.00 0.00 55.97 57.22 3ipk s LYS 812 Cb 0.05 -3.35 0.12 0.00 -0.52 0.00 0.00 37.83 34.13 3ipk s LYS 812 CO 0.17 0.33 2.13 -0.35 -0.92 0.00 0.00 175.35 176.71 3ipk n PRO 813 N 2.72 3.77 -4.14 -1.68 -0.04 -1.26 -4.89 135.00 129.47 3ipk n PRO 813 Ca -0.04 -3.29 -0.11 0.00 -0.04 0.00 0.00 63.50 60.02 3ipk n PRO 813 Cb 0.50 -2.89 -0.09 0.00 -0.04 0.00 0.00 33.50 30.98 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 1.13 0.18 -0.24 3.54 2.20 -1.26 -1.50 114.94 118.99 3ipk s ASN 814 Ca 0.46 -1.23 -0.27 0.00 -0.94 0.00 0.00 52.86 50.88 3ipk s ASN 814 Cb 0.13 0.37 0.14 0.00 -2.00 0.00 0.00 41.25 39.89 3ipk s ASN 814 CO -0.04 -0.83 1.09 -0.51 -2.94 0.00 0.00 177.10 173.87 3ipk s ILE 815 N -4.09 0.00 -0.10 0.54 2.07 0.57 -4.79 121.20 115.41 3ipk s ILE 815 Ca 0.30 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.56 3ipk s ILE 815 Cb 0.06 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 3ipk s ILE 815 CO 0.07 0.00 -0.15 0.86 -1.91 0.00 0.00 174.94 173.81 3ipk s TRP 816 N -0.33 2.74 0.17 3.50 -0.00 -1.26 -0.49 118.94 123.27 3ipk s TRP 816 Ca 0.02 -0.52 -0.20 0.00 -0.00 0.00 0.00 56.10 55.41 3ipk s TRP 816 Cb -0.03 -1.75 0.05 0.00 -0.00 0.00 0.00 33.47 31.73 3ipk s TRP 816 CO -0.05 -0.10 0.54 1.52 -0.00 0.00 0.00 176.95 178.86 3ipk s TYR 817 N -0.02 -0.32 -0.04 5.86 -0.85 -0.79 -5.03 117.35 116.17 3ipk s TYR 817 Ca -0.04 0.03 -0.18 0.00 -0.52 0.00 0.00 57.07 56.36 3ipk s TYR 817 Cb -0.14 0.45 0.04 0.00 0.38 0.00 0.00 41.96 42.69 3ipk s TYR 817 CO 0.04 -0.86 0.40 -1.54 -1.52 0.00 0.00 175.55 172.08 3ipk s SER 818 N -2.81 -0.32 -0.17 -0.18 1.04 -1.26 -1.30 113.70 108.70 3ipk s SER 818 Ca 0.04 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.78 3ipk s SER 818 Cb -0.01 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.55 3ipk s SER 818 CO -0.09 -0.46 -0.14 -0.76 0.98 0.00 0.00 173.24 172.77 3ipk s LEU 819 N -1.16 1.91 0.00 2.42 1.43 -1.26 -4.59 118.68 117.43 3ipk s LEU 819 Ca -0.12 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 3ipk s LEU 819 Cb -0.04 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.93 3ipk s LEU 819 CO 0.05 -0.06 0.00 -0.46 0.23 0.00 0.00 176.35 176.11 3ipk n ASN 820 N 4.72 0.00 -1.22 2.29 0.23 -1.24 -4.89 115.26 115.16 3ipk n ASN 820 Ca -0.17 -0.96 0.10 0.00 -0.53 0.00 0.00 54.58 53.02 3ipk n ASN 820 Cb 0.49 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.48 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 0.00 2.08 3.09 4.83 0.00 -0.04 0.03 105.19 115.18 3ipk n GLY 821 Ca 0.00 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 1.39 2.44 -1.65 1.61 4.81 -1.24 -4.58 118.16 120.94 3ipk n LYS 822 Ca 0.22 -2.53 -0.47 0.00 -0.87 0.00 0.00 58.31 54.66 3ipk n LYS 822 Cb 0.56 -3.28 -0.04 0.00 0.02 0.00 0.00 35.03 32.29 3ipk n LYS 822 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 3ipk n ILE 823 N 5.90 0.46 1.22 3.15 0.13 -1.26 -4.82 119.36 124.14 3ipk n ILE 823 Ca 0.50 -0.12 0.13 0.00 -1.10 0.00 0.00 62.75 62.16 3ipk n ILE 823 Cb 0.42 -1.33 0.30 0.00 -0.84 0.00 0.00 39.64 38.18 3ipk n ILE 823 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 3ipk n ARG 824 N 2.57 1.33 -1.15 9.51 5.12 -1.26 -4.93 116.66 127.85 3ipk n ARG 824 Ca 0.15 -0.91 -0.30 0.00 -1.93 0.00 0.00 57.85 54.85 3ipk n ARG 824 Cb 0.28 -1.48 0.12 0.00 -1.16 0.00 0.00 32.46 30.22 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 -2.30 1.79 0.30 7.54 0.00 -1.26 -4.21 121.76 123.62 3ipk s ALA 825 Ca 0.27 0.16 -0.05 0.00 0.00 0.00 0.00 51.96 52.34 3ipk s ALA 825 Cb 0.20 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.00 3ipk s ALA 825 CO 0.46 -2.18 0.57 0.14 0.00 0.00 0.00 175.76 174.74 3ipk s VAL 826 N -2.87 5.02 -1.61 0.00 -7.23 0.54 -4.50 120.40 109.74 3ipk s VAL 826 Ca 0.63 0.04 -0.16 0.00 -1.81 0.00 0.00 61.98 60.68 3ipk s VAL 826 Cb -0.18 -3.74 0.12 0.00 0.56 0.00 0.00 36.38 33.14 3ipk s VAL 826 CO 0.57 -0.36 0.87 0.59 -0.31 0.00 0.00 175.10 176.46 3ipk n ASN 827 N -1.04 -4.07 -4.64 4.85 3.02 -1.26 -4.79 115.26 107.34 3ipk n ASN 827 Ca -0.02 -0.87 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 3ipk n ASN 827 Cb 0.54 -3.29 -0.04 0.00 -0.61 0.00 0.00 39.78 36.38 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 -3.26 4.80 0.26 2.41 1.01 -1.26 -5.02 120.40 119.34 3ipk s VAL 828 Ca 0.70 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.92 3ipk s VAL 828 Cb -0.37 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.77 3ipk s VAL 828 CO 0.86 -0.13 1.29 -2.16 0.00 0.00 0.00 175.10 174.96 3ipk s PRO 829 N 2.92 4.40 0.01 2.72 0.04 -1.26 -4.69 135.00 139.15 3ipk s PRO 829 Ca 0.35 2.10 -0.18 0.00 0.04 0.00 0.00 61.00 63.31 3ipk s PRO 829 Cb -0.15 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 3ipk s PRO 829 CO 0.08 -0.18 0.51 0.21 0.04 0.00 0.00 177.00 177.67 3ipk s LYS 830 N -0.93 4.16 -0.27 4.56 2.20 -1.26 0.21 119.74 128.42 3ipk s LYS 830 Ca 0.52 0.60 -0.15 0.00 -0.36 0.00 0.00 55.97 56.58 3ipk s LYS 830 Cb -0.37 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 3ipk s LYS 830 CO 0.44 0.53 0.40 0.08 -0.36 0.00 0.00 175.35 176.44 3ipk s VAL 831 N -0.67 5.16 0.00 4.02 1.01 -0.77 -4.90 120.40 124.25 3ipk s VAL 831 Ca 0.27 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3ipk s VAL 831 Cb -0.18 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3ipk s VAL 831 CO 0.16 0.14 0.00 0.35 0.00 0.00 0.00 175.10 175.75 3ipk n THR 832 N 5.12 0.00 -3.89 3.92 -2.24 -1.26 -4.33 114.28 111.60 3ipk n THR 832 Ca -0.08 -0.07 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 3ipk n THR 832 Cb 0.51 0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 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 3.91 0.09 -0.78 -0.14 -1.26 -4.53 119.74 115.67 3ipk s LYS 833 Ca 0.00 -0.36 -0.20 0.00 -1.36 0.00 0.00 55.97 54.05 3ipk s LYS 833 Cb 0.00 -3.30 -0.07 0.00 -1.68 0.00 0.00 37.83 32.78 3ipk s LYS 833 CO 0.00 0.12 0.60 -2.00 -0.76 0.00 0.00 175.35 173.31 3ipk s GLU 834 N 0.80 4.25 -0.28 1.68 2.12 -1.26 -4.45 118.70 121.56 3ipk s GLU 834 Ca 0.04 0.79 -0.29 0.00 0.36 0.00 0.00 54.97 55.88 3ipk s GLU 834 Cb -0.13 -3.22 -0.00 0.00 0.26 0.00 0.00 34.13 31.03 3ipk s GLU 834 CO 0.02 0.62 1.34 0.21 -0.54 0.00 0.00 175.26 176.92 3ipk s LYS 835 N -1.16 3.92 0.70 4.30 2.20 -1.26 -4.73 119.74 123.70 3ipk s LYS 835 Ca 0.30 1.33 -0.13 0.00 -0.36 0.00 0.00 55.97 57.12 3ipk s LYS 835 Cb -0.20 -3.90 0.02 0.00 -1.51 0.00 0.00 37.83 32.24 3ipk s LYS 835 CO 0.20 -1.12 1.09 -1.25 -0.36 0.00 0.00 175.35 173.91 3ipk s PRO 836 N 4.20 2.68 -0.07 4.03 0.04 -1.26 -5.06 135.00 139.56 3ipk s PRO 836 Ca 0.58 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.87 3ipk s PRO 836 Cb -0.18 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3ipk s PRO 836 CO 0.23 -1.32 -0.16 0.99 0.04 0.00 0.00 177.00 176.78 3ipk s THR 837 N -2.67 2.87 0.11 1.26 2.01 -1.26 -4.99 115.64 112.97 3ipk s THR 837 Ca 0.63 -0.77 -0.35 0.00 0.31 0.00 0.00 61.69 61.51 3ipk s THR 837 Cb -0.18 -2.13 -0.14 0.00 0.01 0.00 0.00 72.50 70.06 3ipk s THR 837 CO 0.48 0.57 1.55 -2.65 -0.69 0.00 0.00 174.62 173.89 3ipk n PRO 838 N 2.79 1.90 -2.00 4.92 -0.02 -1.26 -4.92 135.00 136.41 3ipk n PRO 838 Ca -0.17 0.69 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 3ipk n PRO 838 Cb 0.52 -2.43 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 3ipk n PRO 838 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ipk s PRO 839 N 1.15 3.33 -0.37 0.52 0.04 -1.26 -4.99 135.00 133.41 3ipk s PRO 839 Ca 0.82 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 63.73 3ipk s PRO 839 Cb -0.75 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 31.57 3ipk s PRO 839 CO 0.42 -0.96 0.21 0.08 0.04 0.00 0.00 177.00 176.78 3ipk s VAL 840 N -1.45 4.68 0.17 -0.36 1.01 -1.26 -4.98 120.40 118.21 3ipk s VAL 840 Ca 0.70 -0.76 -0.34 0.00 0.00 0.00 0.00 61.98 61.58 3ipk s VAL 840 Cb -0.34 -3.58 -0.14 0.00 0.00 0.00 0.00 36.38 32.32 3ipk s VAL 840 CO 0.40 -0.20 1.51 1.17 0.00 0.00 0.00 175.10 177.98 3ipk n LYS 841 N 5.02 1.98 -1.15 2.72 4.81 -1.26 -4.91 118.16 125.37 3ipk n LYS 841 Ca -0.12 0.71 -0.30 0.00 -0.87 0.00 0.00 58.31 57.73 3ipk n LYS 841 Cb 0.47 -2.44 0.13 0.00 0.02 0.00 0.00 35.03 33.21 3ipk n LYS 841 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3ipk s PRO 842 N 0.59 1.47 -0.32 1.64 0.04 -1.26 -5.01 135.00 132.15 3ipk s PRO 842 Ca 0.78 1.00 -0.10 0.00 0.04 0.00 0.00 61.00 62.71 3ipk s PRO 842 Cb -0.71 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 3ipk s PRO 842 CO 0.41 -2.14 0.18 -0.08 0.04 0.00 0.00 177.00 175.41 3ipk s THR 843 N -2.88 4.79 0.31 1.26 -1.32 -1.26 -5.00 115.64 111.54 3ipk s THR 843 Ca 0.63 -0.37 -0.29 0.00 -1.21 0.00 0.00 61.69 60.46 3ipk s THR 843 Cb -0.18 -3.45 -0.13 0.00 -1.51 0.00 0.00 72.50 67.23 3ipk s THR 843 CO 0.57 0.04 1.23 0.00 -2.21 0.00 0.00 174.62 174.25 3ipk n ALA 844 N 5.02 0.82 -1.77 11.08 0.00 -1.26 -4.94 120.51 129.46 3ipk n ALA 844 Ca -0.13 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.30 3ipk n ALA 844 Cb 0.49 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 3ipk n ALA 844 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ipk s PRO 845 N -1.56 4.19 -0.01 0.00 0.04 -1.26 -5.00 135.00 131.40 3ipk s PRO 845 Ca 0.58 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 63.14 3ipk s PRO 845 Cb -0.62 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 3ipk s PRO 845 CO 0.60 -0.20 1.06 0.95 0.04 0.00 0.00 177.00 179.45 3ipk s THR 846 N -1.38 4.60 0.19 1.26 -4.23 -1.26 -5.00 115.64 109.82 3ipk s THR 846 Ca 0.54 1.87 -0.31 0.00 -1.18 0.00 0.00 61.69 62.62 3ipk s THR 846 Cb -0.30 -4.20 -0.10 0.00 1.34 0.00 0.00 72.50 69.24 3ipk s THR 846 CO 0.39 0.10 1.46 -0.75 -0.54 0.00 0.00 174.62 175.28 3ipk s LYS 847 N 1.34 4.27 0.60 3.99 2.36 -1.26 -4.97 119.74 126.06 3ipk s LYS 847 Ca 0.53 2.26 -0.19 0.00 -2.55 0.00 0.00 55.97 56.02 3ipk s LYS 847 Cb -0.23 -3.16 -0.03 0.00 -1.05 0.00 0.00 37.83 33.36 3ipk s LYS 847 CO 0.26 -0.48 1.22 -2.14 1.55 0.00 0.00 175.35 175.76 3ipk s PRO 848 N 0.46 2.94 -0.72 4.03 0.02 -1.26 -4.99 135.00 135.48 3ipk s PRO 848 Ca 0.64 1.85 -0.13 0.00 0.02 0.00 0.00 61.00 63.37 3ipk s PRO 848 Cb -0.41 -1.92 0.19 0.00 0.02 0.00 0.00 34.50 32.37 3ipk s PRO 848 CO 0.36 -1.24 0.64 -0.08 -0.33 0.00 0.00 177.00 176.36 3ipk s THR 849 N -1.58 5.25 0.33 0.99 -1.32 -1.26 -5.05 115.64 113.00 3ipk s THR 849 Ca 0.78 -2.24 -0.29 0.00 -1.21 0.00 0.00 61.69 58.73 3ipk s THR 849 Cb -0.31 -4.29 -0.10 0.00 -1.51 0.00 0.00 72.50 66.28 3ipk s THR 849 CO 0.34 -0.96 1.32 -0.31 -2.21 0.00 0.00 174.62 172.80 3ipk s TYR 850 N 0.57 3.01 0.75 9.09 2.02 -1.26 -5.02 117.35 126.50 3ipk s TYR 850 Ca 0.13 1.39 -0.11 0.00 -0.37 0.00 0.00 57.07 58.12 3ipk s TYR 850 Cb -0.17 -3.71 0.04 0.00 -0.40 0.00 0.00 41.96 37.72 3ipk s TYR 850 CO -0.05 -1.96 1.08 -1.21 -1.57 0.00 0.00 175.55 171.84 3ipk s GLU 851 N -1.81 2.50 -0.11 -0.62 2.02 -1.26 -5.04 118.70 114.37 3ipk s GLU 851 Ca 0.49 1.06 0.02 0.00 0.02 0.00 0.00 54.97 56.56 3ipk s GLU 851 Cb -0.40 -1.93 -0.01 0.00 0.10 0.00 0.00 34.13 31.89 3ipk s GLU 851 CO 0.54 -1.44 -0.18 0.95 0.02 0.00 0.00 175.26 175.14 3ipk s THR 852 N -2.97 2.57 0.61 3.63 -4.23 -1.26 -5.01 115.64 108.98 3ipk s THR 852 Ca 0.60 -0.84 -0.16 0.00 -1.18 0.00 0.00 61.69 60.11 3ipk s THR 852 Cb -0.16 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 3ipk s THR 852 CO 0.56 0.54 1.10 -1.61 -0.54 0.00 0.00 174.62 174.67 3ipk s GLU 853 N 0.32 3.06 -0.05 3.99 2.02 -1.26 -5.05 118.70 121.72 3ipk s GLU 853 Ca -0.14 1.41 -0.00 0.00 0.02 0.00 0.00 54.97 56.25 3ipk s GLU 853 Cb -0.17 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 3ipk s GLU 853 CO 0.07 -1.05 -0.01 0.15 0.02 0.00 0.00 175.26 174.44 3ipk s LYS 854 N -3.88 2.88 0.55 1.61 1.02 -1.26 -5.11 119.74 115.55 3ipk s LYS 854 Ca 0.68 -0.50 -0.17 0.00 0.02 0.00 0.00 55.97 56.00 3ipk s LYS 854 Cb -0.20 -2.72 -0.06 0.00 -0.52 0.00 0.00 37.83 34.33 3ipk s LYS 854 CO 0.37 0.67 1.03 -1.25 -0.92 0.00 0.00 175.35 175.25 3ipk s PRO 855 N -1.11 3.59 0.50 -1.68 0.04 -1.26 -4.90 135.00 130.18 3ipk s PRO 855 Ca 0.15 1.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.15 3ipk s PRO 855 Cb -0.11 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 3ipk s PRO 855 CO 0.05 -0.58 0.99 -0.51 0.04 0.00 0.00 177.00 176.99 3ipk s LEU 856 N -4.24 3.70 0.27 -3.56 1.43 -1.26 -5.05 118.68 109.97 3ipk s LEU 856 Ca 0.62 1.67 -0.13 0.00 -1.03 0.00 0.00 54.13 55.27 3ipk s LEU 856 Cb -0.14 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.48 3ipk s LEU 856 CO 0.33 -0.64 0.64 -0.54 0.23 0.00 0.00 176.35 176.37 3ipk s LYS 857 N -3.77 3.92 0.38 1.70 -0.14 -1.26 -5.06 119.74 115.50 3ipk s LYS 857 Ca 0.61 0.49 -0.25 0.00 -1.36 0.00 0.00 55.97 55.47 3ipk s LYS 857 Cb -0.11 -2.56 -0.09 0.00 -1.68 0.00 0.00 37.83 33.38 3ipk s LYS 857 CO 0.27 0.25 1.04 -1.25 -0.76 0.00 0.00 175.35 174.89 3ipk s PRO 858 N -2.83 4.27 0.79 -1.68 0.04 -1.26 -4.97 135.00 129.35 3ipk s PRO 858 Ca 0.50 1.50 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 3ipk s PRO 858 Cb -0.11 -2.62 0.04 0.00 0.04 0.00 0.00 34.50 31.85 3ipk s PRO 858 CO 0.19 -0.05 0.97 0.00 0.04 0.00 0.00 177.00 178.15 3ipk n ALA 859 N 0.11 -0.56 -1.74 8.56 0.00 -1.26 -4.96 120.51 120.66 3ipk n ALA 859 Ca 0.04 -0.32 -0.34 0.00 0.00 0.00 0.00 53.44 52.83 3ipk n ALA 859 Cb 0.49 -2.11 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 3ipk n ALA 859 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ipk s PRO 860 N -3.69 3.49 0.50 0.00 0.04 -1.26 -5.00 135.00 129.08 3ipk s PRO 860 Ca 0.70 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 3ipk s PRO 860 Cb -0.30 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 3ipk s PRO 860 CO 0.53 -0.69 1.23 0.08 0.04 0.00 0.00 177.00 178.19 3ipk s VAL 861 N -2.08 2.75 0.20 -0.36 1.01 -1.26 -4.98 120.40 115.68 3ipk s VAL 861 Ca 0.68 0.55 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 3ipk s VAL 861 Cb -0.18 -3.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.84 3ipk s VAL 861 CO 0.28 -0.02 1.07 0.00 0.00 0.00 0.00 175.10 176.43 3ipk s ALA 862 N -1.48 3.37 0.53 5.51 0.00 -1.26 -5.01 121.76 123.42 3ipk s ALA 862 Ca 0.67 0.79 -0.21 0.00 0.00 0.00 0.00 51.96 53.22 3ipk s ALA 862 Cb -0.32 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 3ipk s ALA 862 CO 0.38 -0.14 1.23 -2.14 0.00 0.00 0.00 175.76 175.10 3ipk s PRO 863 N -0.66 3.31 -0.78 0.00 0.02 -1.26 -4.97 135.00 130.65 3ipk s PRO 863 Ca 0.47 1.92 -0.11 0.00 0.02 0.00 0.00 61.00 63.30 3ipk s PRO 863 Cb -0.29 -2.19 0.20 0.00 0.02 0.00 0.00 34.50 32.24 3ipk s PRO 863 CO 0.35 -0.96 0.69 -0.80 -0.33 0.00 0.00 177.00 175.95 3ipk s ASN 864 N -1.34 6.38 0.62 2.53 0.01 -1.26 -5.05 114.94 116.83 3ipk s ASN 864 Ca 0.71 -2.73 -0.19 0.00 -0.71 0.00 0.00 52.86 49.94 3ipk s ASN 864 Cb -0.32 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 3ipk s ASN 864 CO 0.38 -0.52 1.26 -0.31 -1.51 0.00 0.00 177.10 176.39 3ipk s TYR 865 N 0.11 2.23 0.15 2.20 2.02 -1.26 -4.99 117.35 117.81 3ipk s TYR 865 Ca 0.18 1.49 -0.25 0.00 -0.37 0.00 0.00 57.07 58.11 3ipk s TYR 865 Cb -0.13 -3.60 -0.08 0.00 -0.40 0.00 0.00 41.96 37.75 3ipk s TYR 865 CO -0.07 -2.60 0.78 -2.00 -1.57 0.00 0.00 175.55 170.08 3ipk s GLU 866 N -3.33 4.56 0.35 -0.62 2.12 -1.26 -5.02 118.70 115.49 3ipk s GLU 866 Ca 0.80 1.15 -0.29 0.00 0.36 0.00 0.00 54.97 56.99 3ipk s GLU 866 Cb -0.34 -3.28 -0.11 0.00 0.26 0.00 0.00 34.13 30.66 3ipk s GLU 866 CO 0.37 0.52 1.47 0.21 -0.54 0.00 0.00 175.26 177.29 3ipk s LYS 867 N -0.95 4.17 0.36 4.30 2.20 -1.26 -4.98 119.74 123.58 3ipk s LYS 867 Ca 0.36 2.49 -0.12 0.00 -0.36 0.00 0.00 55.97 58.35 3ipk s LYS 867 Cb -0.23 -3.00 -0.07 0.00 -1.51 0.00 0.00 37.83 33.01 3ipk s LYS 867 CO 0.26 -0.48 0.73 -1.21 -0.36 0.00 0.00 175.35 174.29 3ipk s GLU 868 N -1.66 3.85 0.68 4.03 2.02 -1.26 -5.00 118.70 121.36 3ipk s GLU 868 Ca 0.54 0.50 -0.12 0.00 0.02 0.00 0.00 54.97 55.91 3ipk s GLU 868 Cb -0.45 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.34 3ipk s GLU 868 CO 0.57 0.07 1.07 -1.25 0.02 0.00 0.00 175.26 175.74 3ipk s PRO 869 N -3.44 2.93 -0.01 0.39 0.04 -1.26 -5.03 135.00 128.61 3ipk s PRO 869 Ca 0.52 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.45 3ipk s PRO 869 Cb -0.10 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 3ipk s PRO 869 CO 0.25 -1.11 0.54 0.99 0.04 0.00 0.00 177.00 177.71 3ipk s THR 870 N -2.81 4.96 0.50 1.26 2.01 -1.26 -5.01 115.64 115.29 3ipk s THR 870 Ca 0.61 1.13 -0.23 0.00 0.31 0.00 0.00 61.69 63.51 3ipk s THR 870 Cb -0.15 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 3ipk s THR 870 CO 0.49 0.44 1.35 -2.84 -0.69 0.00 0.00 174.62 173.37 3ipk s PRO 871 N -0.28 3.40 0.81 4.92 0.02 -1.26 -5.00 135.00 137.61 3ipk s PRO 871 Ca 0.29 2.22 -0.12 0.00 0.02 0.00 0.00 61.00 63.41 3ipk s PRO 871 Cb -0.18 -2.40 0.08 0.00 0.02 0.00 0.00 34.50 32.02 3ipk s PRO 871 CO 0.16 -0.98 1.10 -1.25 -0.33 0.00 0.00 177.00 175.69 3ipk s PRO 872 N -2.73 1.96 -0.03 5.54 0.04 -1.26 -5.07 135.00 133.45 3ipk s PRO 872 Ca 0.67 0.63 0.04 0.00 0.04 0.00 0.00 61.00 62.38 3ipk s PRO 872 Cb -0.40 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 3ipk s PRO 872 CO 0.48 -1.71 -0.15 0.99 0.04 0.00 0.00 177.00 176.65 3ipk s THR 873 N -3.15 1.24 -2.00 1.26 2.01 -1.26 -5.05 115.64 108.70 3ipk s THR 873 Ca 0.61 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 62.03 3ipk s THR 873 Cb -0.15 -1.06 0.18 0.00 0.01 0.00 0.00 72.50 71.48 3ipk s THR 873 CO 0.54 0.36 0.84 0.54 -0.69 0.00 0.00 174.62 176.21