#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gwm n SER 392 N 0.00 1.01 0.25 4.31 3.41 -1.26 -4.80 113.62 116.55 2gwm n SER 392 Ca 0.00 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 2gwm n SER 392 Cb 0.00 -1.47 0.67 0.00 -0.26 0.00 0.00 64.21 63.15 2gwm n SER 392 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2gwm h LYS 393 N -0.26 0.00 -0.29 4.33 1.79 -1.99 -1.47 116.57 118.68 2gwm h LYS 393 Ca -0.48 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.86 2gwm h LYS 393 Cb 1.32 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2gwm h LYS 393 CO 0.48 0.14 -0.33 1.96 -1.08 0.00 0.00 179.45 180.63 2gwm h GLN 394 N 0.00 0.72 -0.78 3.15 7.50 -1.89 -0.94 115.11 122.87 2gwm h GLN 394 Ca -0.00 -0.40 -0.01 0.00 0.50 0.00 0.00 58.65 58.74 2gwm h GLN 394 Cb 0.43 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.94 2gwm h GLN 394 CO 0.02 1.02 0.45 0.82 -1.50 0.00 0.00 178.83 179.64 2gwm h ILE 395 N 0.47 1.23 -0.55 2.54 1.08 -1.73 -0.90 117.51 119.64 2gwm h ILE 395 Ca 0.04 -0.53 -0.04 0.00 -0.39 0.00 0.00 64.86 63.94 2gwm h ILE 395 Cb 0.91 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 2gwm h ILE 395 CO 0.08 0.25 0.18 1.56 -0.69 0.00 0.00 178.15 179.53 2gwm h GLN 396 N 1.07 0.82 -0.73 2.37 4.20 -1.10 0.30 115.11 122.04 2gwm h GLN 396 Ca 0.28 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 2gwm h GLN 396 Cb -0.00 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 2gwm h GLN 396 CO -0.05 0.70 0.25 0.00 -0.67 0.00 0.00 178.83 179.06 2gwm h ALA 397 N 1.40 0.95 -0.83 3.87 0.00 -0.65 -1.97 119.26 122.02 2gwm h ALA 397 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2gwm h ALA 397 Cb 0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2gwm h ALA 397 CO -0.01 0.61 0.42 1.25 0.00 0.00 0.00 179.25 181.52 2gwm h LEU 398 N 1.06 1.06 -0.67 0.00 5.85 -0.49 -0.51 115.31 121.62 2gwm h LEU 398 Ca 0.24 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2gwm h LEU 398 Cb 0.27 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2gwm h LEU 398 CO -0.01 0.88 0.37 0.03 -0.34 0.00 0.00 178.44 179.37 2gwm h ARG 399 N 1.16 0.66 -0.44 1.25 3.08 -0.72 -0.64 114.38 118.74 2gwm h ARG 399 Ca 0.29 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 2gwm h ARG 399 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2gwm h ARG 399 CO -0.04 0.44 0.07 -0.92 -1.07 0.00 0.00 179.97 178.45 2gwm h TYR 400 N 0.68 0.78 -0.43 3.04 3.20 -0.75 -1.25 116.97 122.25 2gwm h TYR 400 Ca 0.30 -0.11 0.08 0.00 3.14 0.00 0.00 58.73 62.14 2gwm h TYR 400 Cb 0.19 -0.21 -0.09 0.00 1.54 0.00 0.00 36.73 38.15 2gwm h TYR 400 CO -0.08 0.74 -0.31 -0.92 -1.64 0.00 0.00 178.16 175.95 2gwm h TYR 401 N 0.59 -0.86 -0.68 -3.82 3.20 -0.81 0.89 116.97 115.47 2gwm h TYR 401 Ca 0.13 0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.08 2gwm h TYR 401 Cb 0.39 0.44 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 2gwm h TYR 401 CO 0.03 -0.37 0.44 1.03 -1.64 0.00 0.00 178.16 177.64 2gwm h SER 402 N -0.23 0.74 -0.22 -2.11 0.87 -0.72 -0.54 113.55 111.34 2gwm h SER 402 Ca 0.18 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.65 2gwm h SER 402 Cb 0.53 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2gwm h SER 402 CO -0.55 0.52 -0.19 0.00 -0.53 0.00 0.00 176.83 176.08 2gwm h ALA 403 N 1.27 0.32 0.00 6.23 0.00 -0.82 -3.43 119.26 122.84 2gwm h ALA 403 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2gwm h ALA 403 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2gwm h ALA 403 CO -0.08 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.41 2gwm n GLN 404 N -4.43 0.54 0.25 0.00 10.64 0.13 -4.93 117.38 119.58 2gwm n GLN 404 Ca -0.05 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.24 2gwm n GLN 404 Cb 0.40 -0.13 0.62 0.00 -0.86 0.00 0.00 30.24 30.26 2gwm n GLN 404 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2gwm h GLY 405 N 0.00 0.00 1.23 2.61 0.00 -0.71 -2.34 103.07 103.85 2gwm h GLY 405 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.44 2gwm h GLY 405 CO 0.00 0.00 0.28 0.10 0.00 0.00 0.00 176.54 176.92 2gwm h TYR 406 N 0.00 0.00 0.00 5.60 -0.00 -1.34 -1.40 116.97 119.83 2gwm h TYR 406 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2gwm h TYR 406 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.26 2gwm h TYR 406 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.82 2gwm h SER 407 N 0.00 0.00 0.00 0.10 4.64 -1.70 -3.10 113.55 113.49 2gwm h SER 407 Ca 0.18 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 2gwm h SER 407 Cb 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2gwm h SER 407 CO -0.00 0.00 -1.53 0.52 -0.87 0.00 0.00 176.83 174.95 2gwm n VAL 408 N -2.41 0.52 -0.30 0.95 0.31 -0.70 -4.78 118.33 111.92 2gwm n VAL 408 Ca 0.02 -0.15 -0.05 0.00 -0.01 0.00 0.00 64.34 64.15 2gwm n VAL 408 Cb 0.28 -1.37 0.07 0.00 -0.91 0.00 0.00 33.84 31.92 2gwm n VAL 408 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2gwm h ILE 409 N -0.23 1.25 -0.18 2.52 1.08 -1.30 -2.34 117.51 118.31 2gwm h ILE 409 Ca -0.23 -0.72 -0.19 0.00 -0.39 0.00 0.00 64.86 63.33 2gwm h ILE 409 Cb 1.24 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 2gwm h ILE 409 CO -0.11 0.31 -0.66 0.78 -0.69 0.00 0.00 178.15 177.78 2gwm h ASN 410 N 1.15 0.79 -0.63 1.72 -0.26 -1.80 0.17 115.58 116.72 2gwm h ASN 410 Ca 0.28 -0.47 -0.01 0.00 -0.56 0.00 0.00 56.30 55.54 2gwm h ASN 410 Cb 0.12 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.13 2gwm h ASN 410 CO -0.03 1.24 0.37 0.11 -1.06 0.00 0.00 177.43 178.05 2gwm h LYS 411 N 0.50 0.87 -0.25 0.81 1.57 -1.80 -0.65 116.57 117.62 2gwm h LYS 411 Ca -0.02 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2gwm h LYS 411 Cb 1.25 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 2gwm h LYS 411 CO 0.13 0.64 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.69 2gwm h TYR 412 N 0.86 -0.09 -0.29 -1.35 3.20 -1.13 -1.51 116.97 116.67 2gwm h TYR 412 Ca 0.23 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 2gwm h TYR 412 Cb -0.00 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2gwm h TYR 412 CO -0.01 -0.08 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.20 2gwm h LEU 413 N 0.03 0.50 0.00 2.82 3.38 -0.67 -1.90 115.31 119.48 2gwm h LEU 413 Ca 0.12 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2gwm h LEU 413 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2gwm h LEU 413 CO -0.23 0.68 0.00 0.54 0.09 0.00 0.00 178.44 179.52 2gwm n ARG 414 N -4.18 0.10 -1.09 1.13 1.74 -0.28 -4.78 116.66 109.31 2gwm n ARG 414 Ca 0.00 0.14 -0.03 0.00 -0.77 0.00 0.00 57.85 57.20 2gwm n ARG 414 Cb 0.35 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.27 2gwm n ARG 414 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gwm n GLY 415 N 0.48 0.61 3.91 -0.13 0.00 -0.71 -5.04 105.19 104.31 2gwm n GLY 415 Ca 0.06 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 2gwm n GLY 415 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gwm s ASP 416 N -2.78 5.35 0.28 1.61 1.01 -0.59 -5.03 116.67 116.52 2gwm s ASP 416 Ca 0.00 0.72 -0.30 0.00 0.71 0.00 0.00 52.55 53.68 2gwm s ASP 416 Cb 0.00 -1.59 -0.13 0.00 1.01 0.00 0.00 42.92 42.22 2gwm s ASP 416 CO 0.00 -1.26 1.44 0.47 0.21 0.00 0.00 175.17 176.03 2gwm n ASP 417 N -2.75 3.10 -4.14 0.27 8.00 -1.26 -4.48 116.55 115.29 2gwm n ASP 417 Ca 0.06 1.16 -0.10 0.00 0.71 0.00 0.00 54.79 56.61 2gwm n ASP 417 Cb 0.58 -1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.10 2gwm n ASP 417 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2gwm s TYR 418 N -0.24 0.86 -0.86 1.24 -0.85 -1.26 -4.75 117.35 111.47 2gwm s TYR 418 Ca 0.64 -1.20 -0.25 0.00 -0.52 0.00 0.00 57.07 55.74 2gwm s TYR 418 Cb -0.59 -0.44 0.00 0.00 0.38 0.00 0.00 41.96 41.31 2gwm s TYR 418 CO 0.52 -0.56 1.65 -2.14 -1.52 0.00 0.00 175.55 173.49 2gwm s PRO 419 N -4.06 3.03 0.13 -3.49 0.02 -1.26 -4.84 135.00 124.52 2gwm s PRO 419 Ca 0.26 -0.41 -0.15 0.00 0.02 0.00 0.00 61.00 60.71 2gwm s PRO 419 Cb 0.07 -4.89 -0.02 0.00 0.02 0.00 0.00 34.50 29.68 2gwm s PRO 419 CO 0.03 -2.66 1.59 0.93 -0.33 0.00 0.00 177.00 176.57 2gwm h GLU 420 N 11.17 0.68 -0.38 5.54 5.08 -1.98 -1.02 114.58 133.68 2gwm h GLU 420 Ca 0.01 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2gwm h GLU 420 Cb 1.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2gwm h GLU 420 CO 1.30 0.74 0.17 1.15 -1.00 0.00 0.00 179.01 181.37 2gwm h THR 421 N 0.52 1.18 -0.48 1.13 2.02 -1.98 -1.65 112.91 113.65 2gwm h THR 421 Ca 0.12 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 2gwm h THR 421 Cb 0.41 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 2gwm h THR 421 CO 0.01 0.19 0.01 1.56 0.37 0.00 0.00 175.52 177.66 2gwm h GLN 422 N 0.47 0.80 -0.45 6.66 1.08 -1.92 -0.23 115.11 121.52 2gwm h GLN 422 Ca 0.13 -0.21 0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2gwm h GLN 422 Cb 0.14 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 2gwm h GLN 422 CO -0.01 0.80 0.19 0.00 -0.95 0.00 0.00 178.83 178.85 2gwm h ALA 423 N 1.26 0.55 -0.24 3.87 0.00 -0.86 -0.49 119.26 123.35 2gwm h ALA 423 Ca 0.15 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2gwm h ALA 423 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2gwm h ALA 423 CO 0.02 -0.19 -0.48 0.87 0.00 0.00 0.00 179.25 179.47 2gwm h LYS 424 N 0.38 0.65 -0.66 0.00 1.57 -0.87 -1.46 116.57 116.17 2gwm h LYS 424 Ca 0.21 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 2gwm h LYS 424 Cb 0.17 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2gwm h LYS 424 CO -0.18 0.98 0.13 1.49 -0.57 0.00 0.00 179.45 181.30 2gwm h GLU 425 N 0.51 1.07 -0.27 3.15 4.57 -0.64 -1.28 114.58 121.69 2gwm h GLU 425 Ca 0.03 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 2gwm h GLU 425 Cb 1.03 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2gwm h GLU 425 CO 0.10 0.97 0.18 1.15 -1.18 0.00 0.00 179.01 180.22 2gwm h THR 426 N 1.01 1.08 -0.70 0.32 2.02 -0.77 -0.42 112.91 115.45 2gwm h THR 426 Ca 0.21 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2gwm h THR 426 Cb 0.40 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2gwm h THR 426 CO 0.01 0.07 0.41 -0.07 0.37 0.00 0.00 175.52 176.31 2gwm h LEU 427 N 0.37 0.84 -0.01 2.58 3.38 -0.88 -1.09 115.31 120.49 2gwm h LEU 427 Ca 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2gwm h LEU 427 Cb -0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2gwm h LEU 427 CO -0.02 0.65 -0.02 0.25 0.09 0.00 0.00 178.44 179.39 2gwm h LEU 428 N 0.97 0.04 -1.64 1.67 5.85 -1.07 0.41 115.31 121.53 2gwm h LEU 428 Ca 0.25 -0.57 -0.04 0.00 0.84 0.00 0.00 57.88 58.37 2gwm h LEU 428 Cb -0.03 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2gwm h LEU 428 CO -0.05 0.60 -0.19 0.77 -0.34 0.00 0.00 178.44 179.24 2gwm h SER 429 N -0.51 0.00 -0.72 1.25 4.64 -0.83 -1.23 113.55 116.16 2gwm h SER 429 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gwm h SER 429 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2gwm h SER 429 CO 0.01 0.19 0.00 0.54 -0.87 0.00 0.00 176.83 176.69 2gwm n ARG 430 N -4.26 2.85 -1.14 4.77 1.74 -0.43 -4.96 116.66 115.22 2gwm n ARG 430 Ca -0.02 -2.65 -0.05 0.00 -0.77 0.00 0.00 57.85 54.35 2gwm n ARG 430 Cb 0.25 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 2gwm n ARG 430 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2gwm n ASP 431 N 1.55 -4.27 0.20 0.55 8.00 -0.46 -4.88 116.55 117.25 2gwm n ASP 431 Ca 0.25 0.12 0.06 0.00 0.71 0.00 0.00 54.79 55.93 2gwm n ASP 431 Cb 0.66 -2.20 0.42 0.00 -0.02 0.00 0.00 41.12 39.97 2gwm n ASP 431 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2gwm h TYR 432 N 0.00 0.00 -3.59 1.24 0.05 -1.18 -3.43 116.97 110.05 2gwm h TYR 432 Ca -0.10 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.24 2gwm h TYR 432 Cb 0.55 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.10 2gwm h TYR 432 CO 0.28 0.33 -0.77 -0.51 -1.05 0.00 0.00 178.16 176.44 2gwm s LEU 433 N -7.50 2.39 0.18 3.88 1.43 -0.99 -4.92 118.68 113.14 2gwm s LEU 433 Ca -0.02 -0.79 0.26 0.00 -1.03 0.00 0.00 54.13 52.55 2gwm s LEU 433 Cb 0.13 -0.61 0.66 0.00 0.03 0.00 0.00 46.19 46.40 2gwm s LEU 433 CO 0.68 -0.11 1.63 -1.54 0.23 0.00 0.00 176.35 177.24 2gwm n SER 434 N 0.60 0.77 -4.16 2.29 3.41 -1.26 -4.36 113.62 110.90 2gwm n SER 434 Ca -0.16 0.42 -0.10 0.00 -0.26 0.00 0.00 58.87 58.77 2gwm n SER 434 Cb 0.57 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.94 2gwm n SER 434 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2gwm s THR 435 N -3.12 0.28 -2.01 6.66 -4.23 -1.26 -5.04 115.64 106.92 2gwm s THR 435 Ca 0.09 -1.91 0.11 0.00 -1.18 0.00 0.00 61.69 58.80 2gwm s THR 435 Cb 0.13 -1.98 0.32 0.00 1.34 0.00 0.00 72.50 72.31 2gwm s THR 435 CO 0.64 -0.55 1.27 -0.46 -0.54 0.00 0.00 174.62 174.98 2gwm n ASN 436 N -0.10 1.89 -3.15 3.99 0.23 -1.26 -4.41 115.26 112.43 2gwm n ASN 436 Ca -0.07 -1.99 -0.25 0.00 -0.53 0.00 0.00 54.58 51.74 2gwm n ASN 436 Cb 0.63 -0.23 -0.05 0.00 -2.08 0.00 0.00 39.78 38.05 2gwm n ASN 436 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2gwm n GLU 437 N 0.53 2.34 -1.82 -3.83 1.02 -1.26 -4.85 120.64 112.77 2gwm n GLU 437 Ca 0.12 -4.36 -0.30 0.00 -0.02 0.00 0.00 57.16 52.60 2gwm n GLU 437 Cb 0.30 -2.03 0.06 0.00 -0.02 0.00 0.00 31.44 29.75 2gwm n GLU 437 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2gwm s PRO 438 N -2.73 2.65 0.91 3.49 0.04 -1.26 -5.08 135.00 133.01 2gwm s PRO 438 Ca 0.43 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.83 2gwm s PRO 438 Cb 0.24 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.92 2gwm s PRO 438 CO -0.09 -1.19 1.09 -1.54 0.04 0.00 0.00 177.00 175.31 2gwm s SER 439 N -4.28 3.30 0.30 6.66 1.04 -1.26 -4.79 113.70 114.67 2gwm s SER 439 Ca 0.59 1.57 0.00 0.00 0.48 0.00 0.00 55.95 58.59 2gwm s SER 439 Cb -0.12 -2.23 0.47 0.00 0.10 0.00 0.00 66.02 64.24 2gwm s SER 439 CO 0.52 -2.76 1.86 0.44 0.98 0.00 0.00 173.24 174.28 2gwm h ASP 440 N -1.63 0.71 0.18 7.02 3.32 -1.98 0.94 116.42 124.97 2gwm h ASP 440 Ca -0.49 -0.11 -0.22 0.00 0.02 0.00 0.00 57.03 56.23 2gwm h ASP 440 Cb 1.28 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2gwm h ASP 440 CO 0.53 0.69 -0.85 -0.08 -1.72 0.00 0.00 179.24 177.81 2gwm h GLU 441 N 0.75 0.52 -0.58 3.56 4.57 -1.99 -0.88 114.58 120.52 2gwm h GLU 441 Ca 0.17 -0.48 -0.00 0.00 -1.18 0.00 0.00 59.36 57.86 2gwm h GLU 441 Cb 0.25 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 2gwm h GLU 441 CO -0.01 1.12 0.35 0.93 -1.18 0.00 0.00 179.01 180.22 2gwm h GLU 442 N 0.33 0.79 0.12 1.92 5.08 -1.81 -0.28 114.58 120.73 2gwm h GLU 442 Ca -0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2gwm h GLU 442 Cb 1.47 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2gwm h GLU 442 CO 0.16 0.57 -0.06 0.35 -1.00 0.00 0.00 179.01 179.02 2gwm h PHE 443 N 0.79 -0.15 -0.29 4.33 3.57 -0.77 -1.22 116.94 123.19 2gwm h PHE 443 Ca 0.21 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2gwm h PHE 443 Cb -0.02 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2gwm h PHE 443 CO -0.02 -0.00 0.12 -0.22 -2.23 0.00 0.00 178.31 175.95 2gwm h LYS 444 N -0.27 0.25 -0.77 1.11 3.64 -0.98 -0.74 116.57 118.80 2gwm h LYS 444 Ca -0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2gwm h LYS 444 Cb 0.22 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2gwm h LYS 444 CO 0.03 0.16 0.37 -0.91 -2.27 0.00 0.00 179.45 176.83 2gwm h ASN 445 N 0.26 1.00 -0.33 4.20 2.35 -0.97 -1.76 115.58 120.31 2gwm h ASN 445 Ca 0.13 -0.11 -0.17 0.00 -0.55 0.00 0.00 56.30 55.59 2gwm h ASN 445 Cb 0.08 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 2gwm h ASN 445 CO -0.11 0.84 -0.45 0.00 -1.65 0.00 0.00 177.43 176.05 2gwm h ALA 446 N 1.31 0.50 -0.96 -0.83 0.00 -0.91 -2.49 119.26 115.89 2gwm h ALA 446 Ca 0.27 -0.48 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2gwm h ALA 446 Cb 0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2gwm h ALA 446 CO -0.03 0.65 0.62 0.52 0.00 0.00 0.00 179.25 181.01 2gwm h MET 447 N 0.69 1.11 -0.32 0.00 2.86 -0.90 -1.48 114.93 116.89 2gwm h MET 447 Ca 0.04 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2gwm h MET 447 Cb 1.05 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 2gwm h MET 447 CO 0.11 0.74 0.12 0.77 1.06 0.00 0.00 176.91 179.70 2gwm h SER 448 N 1.14 0.15 -0.53 1.22 0.02 -1.06 -0.73 113.55 113.75 2gwm h SER 448 Ca 0.41 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.36 2gwm h SER 448 Cb 0.12 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2gwm h SER 448 CO -0.16 0.12 0.24 0.58 -1.14 0.00 0.00 176.83 176.47 2gwm h VAL 449 N 0.27 1.21 -0.10 2.27 2.07 -1.00 -0.30 116.25 120.66 2gwm h VAL 449 Ca 0.14 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2gwm h VAL 449 Cb 0.10 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2gwm h VAL 449 CO -0.14 0.24 -0.06 0.22 0.02 0.00 0.00 177.57 177.86 2gwm h TYR 450 N 0.72 -0.13 -0.42 1.57 3.20 -1.08 0.19 116.97 121.03 2gwm h TYR 450 Ca 0.18 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2gwm h TYR 450 Cb 0.16 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2gwm h TYR 450 CO 0.00 -0.09 0.27 0.82 -1.64 0.00 0.00 178.16 177.53 2gwm h ILE 451 N -0.05 1.10 -0.26 1.81 2.04 -1.01 -1.67 117.51 119.47 2gwm h ILE 451 Ca 0.06 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 2gwm h ILE 451 Cb 0.14 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2gwm h ILE 451 CO -0.14 0.10 -0.09 0.78 0.00 0.00 0.00 178.15 178.81 2gwm h ASN 452 N 0.56 0.40 -0.10 1.72 2.35 -0.75 -0.11 115.58 119.65 2gwm h ASN 452 Ca 0.15 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2gwm h ASN 452 Cb -0.06 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 2gwm h ASN 452 CO -0.04 0.53 0.04 0.44 -1.65 0.00 0.00 177.43 176.76 2gwm h ASP 453 N 0.40 0.14 -0.58 5.81 3.32 0.08 -0.31 116.42 125.27 2gwm h ASP 453 Ca 0.08 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.01 2gwm h ASP 453 Cb 0.41 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 2gwm h ASP 453 CO 0.02 0.25 0.34 0.40 -1.72 0.00 0.00 179.24 178.53 2gwm h ILE 454 N 0.01 1.04 -0.62 0.35 2.04 -0.83 -0.73 117.51 118.78 2gwm h ILE 454 Ca 0.03 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 2gwm h ILE 454 Cb 0.15 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2gwm h ILE 454 CO -0.00 0.12 0.18 0.00 0.00 0.00 0.00 178.15 178.45 2gwm h ALA 455 N 1.27 0.81 -0.45 1.87 0.00 -0.93 -0.81 119.26 121.02 2gwm h ALA 455 Ca 0.24 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2gwm h ALA 455 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2gwm h ALA 455 CO -0.12 0.49 -0.17 1.49 0.00 0.00 0.00 179.25 180.94 2gwm h GLU 456 N 0.89 0.92 -0.58 0.00 4.57 -0.89 0.34 114.58 119.83 2gwm h GLU 456 Ca 0.20 -0.38 0.07 0.00 -1.18 0.00 0.00 59.36 58.06 2gwm h GLU 456 Cb 0.30 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.80 2gwm h GLU 456 CO -0.00 1.03 0.28 0.78 -1.18 0.00 0.00 179.01 179.92 2gwm h GLY 457 N 0.76 0.83 0.99 1.92 0.00 -0.82 -1.83 103.07 104.91 2gwm h GLY 457 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2gwm h GLY 457 CO 0.06 0.08 -0.04 -2.00 0.00 0.00 0.00 176.54 174.64 2gwm h LEU 458 N 0.51 -0.09 -1.98 3.11 5.85 -0.88 -2.53 115.31 119.30 2gwm h LEU 458 Ca 0.27 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.10 2gwm h LEU 458 Cb 0.23 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2gwm h LEU 458 CO -0.21 -0.05 0.32 -1.28 -0.34 0.00 0.00 178.44 176.88 2gwm h SER 459 N -0.12 0.02 0.69 1.25 0.87 -0.60 -1.89 113.55 113.77 2gwm h SER 459 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2gwm h SER 459 Cb 0.09 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2gwm h SER 459 CO 0.02 0.01 -0.00 -1.54 -0.53 0.00 0.00 176.83 174.78 2gwm n SER 460 N -4.41 0.01 -4.83 6.23 3.41 -0.72 -4.80 113.62 108.51 2gwm n SER 460 Ca 0.08 0.03 -0.32 0.00 -0.26 0.00 0.00 58.87 58.40 2gwm n SER 460 Cb 0.51 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2gwm n SER 460 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2gwm s LEU 461 N -2.69 3.47 0.41 1.04 1.43 -0.71 -4.98 118.68 116.64 2gwm s LEU 461 Ca 0.24 1.66 -0.26 0.00 -1.03 0.00 0.00 54.13 54.75 2gwm s LEU 461 Cb 0.20 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.82 2gwm s LEU 461 CO 0.48 -0.96 1.25 -2.84 0.23 0.00 0.00 176.35 174.51 2gwm s PRO 462 N -4.31 3.98 0.53 1.29 0.02 -1.26 -5.01 135.00 130.24 2gwm s PRO 462 Ca 0.60 2.03 -0.17 0.00 0.02 0.00 0.00 61.00 63.48 2gwm s PRO 462 Cb -0.13 -2.72 -0.07 0.00 0.02 0.00 0.00 34.50 31.61 2gwm s PRO 462 CO 0.39 -0.44 1.02 -1.21 -0.33 0.00 0.00 177.00 176.43 2gwm s GLU 463 N -2.27 3.73 0.38 5.54 2.02 -1.26 -4.45 118.70 122.38 2gwm s GLU 463 Ca 0.57 1.12 0.04 0.00 0.02 0.00 0.00 54.97 56.72 2gwm s GLU 463 Cb -0.35 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 2gwm s GLU 463 CO 0.45 -0.47 0.13 0.95 0.02 0.00 0.00 175.26 176.34 2gwm s THR 464 N -2.42 0.59 -1.96 3.63 -4.23 -1.26 -5.06 115.64 104.92 2gwm s THR 464 Ca 0.62 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.31 2gwm s THR 464 Cb -0.13 -2.43 0.51 0.00 1.34 0.00 0.00 72.50 71.79 2gwm s THR 464 CO 0.30 0.00 1.42 0.47 -0.54 0.00 0.00 174.62 176.27 2gwm n ASP 465 N -1.19 3.10 -4.74 3.99 8.00 -1.26 -4.99 116.55 119.46 2gwm n ASP 465 Ca -0.04 -2.02 -0.42 0.00 0.71 0.00 0.00 54.79 53.03 2gwm n ASP 465 Cb 0.65 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 2gwm n ASP 465 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2gwm n HIS 466 N 1.16 2.75 -0.06 1.24 8.25 -1.26 -4.92 115.22 122.39 2gwm n HIS 466 Ca 0.19 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 2gwm n HIS 466 Cb 0.49 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.07 2gwm n HIS 466 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2gwm n ARG 467 N 1.30 0.58 -3.59 -0.41 5.12 -1.26 -4.84 116.66 113.56 2gwm n ARG 467 Ca 0.06 -0.86 -0.16 0.00 -1.93 0.00 0.00 57.85 54.95 2gwm n ARG 467 Cb 0.37 -0.97 -0.07 0.00 -1.16 0.00 0.00 32.46 30.63 2gwm n ARG 467 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2gwm s VAL 468 N -0.38 0.01 0.22 1.55 0.11 -1.26 -0.59 120.40 120.06 2gwm s VAL 468 Ca 0.00 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 58.99 2gwm s VAL 468 Cb 0.00 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2gwm s VAL 468 CO 0.00 -0.03 0.19 0.68 -3.33 0.00 0.00 175.10 172.61 2gwm s VAL 469 N -0.63 0.00 0.06 2.04 -7.23 0.17 -4.76 120.40 110.06 2gwm s VAL 469 Ca -0.07 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 2gwm s VAL 469 Cb -0.02 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2gwm s VAL 469 CO 0.06 0.00 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.44 2gwm s TYR 470 N -4.05 0.90 -0.17 2.82 2.02 0.25 -0.68 117.35 118.44 2gwm s TYR 470 Ca 0.37 -0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 56.45 2gwm s TYR 470 Cb 0.06 -0.52 0.06 0.00 -0.40 0.00 0.00 41.96 41.15 2gwm s TYR 470 CO 0.13 -0.03 0.41 0.50 -1.57 0.00 0.00 175.55 175.00 2gwm s ARG 471 N -1.90 0.40 -0.07 -0.62 6.06 -0.81 -0.86 118.95 121.14 2gwm s ARG 471 Ca -0.04 0.78 -0.20 0.00 -2.50 0.00 0.00 55.73 53.77 2gwm s ARG 471 Cb -0.08 -0.01 -0.04 0.00 0.06 0.00 0.00 34.95 34.87 2gwm s ARG 471 CO 0.01 -0.15 0.55 0.20 -2.50 0.00 0.00 175.30 173.40 2gwm s GLY 472 N 1.35 2.50 0.10 8.12 0.00 -1.25 0.29 107.32 118.42 2gwm s GLY 472 Ca -0.09 -0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.62 2gwm s GLY 472 CO -0.12 0.81 -0.17 1.08 0.00 0.00 0.00 173.10 174.70 2gwm s LEU 473 N 0.37 2.32 -0.47 0.66 1.43 -0.05 -4.91 118.68 118.03 2gwm s LEU 473 Ca 0.29 -0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 2gwm s LEU 473 Cb -0.16 -0.68 0.07 0.00 0.03 0.00 0.00 46.19 45.44 2gwm s LEU 473 CO 0.14 -0.03 0.41 -0.75 0.23 0.00 0.00 176.35 176.34 2gwm s LYS 474 N -2.03 2.99 0.00 1.70 2.20 -1.26 -1.77 119.74 121.57 2gwm s LYS 474 Ca 0.04 -1.30 0.14 0.00 -0.36 0.00 0.00 55.97 54.50 2gwm s LYS 474 Cb -0.09 -4.12 -0.04 0.00 -1.51 0.00 0.00 37.83 32.07 2gwm s LYS 474 CO 0.03 -1.02 0.75 1.28 -0.36 0.00 0.00 175.35 176.03 2gwm n LEU 475 N 5.27 1.31 -1.13 5.43 4.77 -1.26 -4.66 117.00 126.73 2gwm n LEU 475 Ca -0.12 -0.70 0.05 0.00 -0.03 0.00 0.00 56.01 55.21 2gwm n LEU 475 Cb 0.44 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.75 2gwm n LEU 475 CO 0.47 0.26 0.63 0.47 -1.33 0.00 0.00 177.39 177.90 2gwm n ASP 476 N -0.43 3.25 -4.73 -1.43 8.00 -1.26 -4.53 116.55 115.42 2gwm n ASP 476 Ca 0.05 -2.34 -0.41 0.00 0.71 0.00 0.00 54.79 52.79 2gwm n ASP 476 Cb 0.28 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 2gwm n ASP 476 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2gwm s LYS 477 N -1.81 4.45 0.23 -1.24 1.02 -1.26 -4.95 119.74 116.18 2gwm s LYS 477 Ca 0.31 1.88 -0.07 0.00 0.02 0.00 0.00 55.97 58.11 2gwm s LYS 477 Cb 0.21 -3.27 0.37 0.00 -0.52 0.00 0.00 37.83 34.62 2gwm s LYS 477 CO 0.13 -0.18 1.28 -2.30 -0.92 0.00 0.00 175.35 173.36 2gwm n PRO 478 N 3.05 -0.08 0.30 -1.68 -0.02 -1.26 -0.89 135.00 134.42 2gwm n PRO 478 Ca 0.06 1.28 0.18 0.00 -2.02 0.00 0.00 63.50 63.00 2gwm n PRO 478 Cb 0.45 -1.90 0.93 0.00 -0.02 0.00 0.00 33.50 32.95 2gwm n PRO 478 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gwm h ALA 479 N 1.61 1.10 -0.60 3.55 0.00 -1.96 -1.81 119.26 121.16 2gwm h ALA 479 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2gwm h ALA 479 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2gwm h ALA 479 CO -0.84 0.04 0.00 1.28 0.00 0.00 0.00 179.25 179.73 2gwm n LEU 480 N -3.27 4.49 -0.09 0.00 4.77 -0.07 -4.63 117.00 118.21 2gwm n LEU 480 Ca -0.02 -2.27 0.07 0.00 -0.03 0.00 0.00 56.01 53.77 2gwm n LEU 480 Cb 0.18 -0.56 0.42 0.00 -2.33 0.00 0.00 43.42 41.13 2gwm n LEU 480 CO 0.25 0.74 1.19 0.77 -1.33 0.00 0.00 177.39 179.01 2gwm h SER 481 N 3.79 0.51 0.59 -1.43 4.64 -1.27 0.40 113.55 120.79 2gwm h SER 481 Ca 0.00 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 2gwm h SER 481 Cb 1.39 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2gwm h SER 481 CO 0.23 0.34 -1.01 0.44 -0.87 0.00 0.00 176.83 175.97 2gwm h ASP 482 N 0.59 0.34 -0.12 4.97 3.32 -1.85 -1.95 116.42 121.71 2gwm h ASP 482 Ca 0.24 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2gwm h ASP 482 Cb 0.21 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2gwm h ASP 482 CO -0.07 1.15 0.07 0.58 -1.72 0.00 0.00 179.24 179.25 2gwm h VAL 483 N 0.11 1.09 -0.62 -1.35 2.07 -1.36 -1.41 116.25 114.79 2gwm h VAL 483 Ca -0.07 -0.25 0.11 0.00 0.82 0.00 0.00 66.70 67.30 2gwm h VAL 483 Cb 1.68 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 32.41 2gwm h VAL 483 CO 0.16 0.08 0.20 0.25 0.02 0.00 0.00 177.57 178.28 2gwm h LEU 484 N 0.10 0.14 -0.52 2.57 5.85 -0.25 -1.06 115.31 122.14 2gwm h LEU 484 Ca 0.04 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2gwm h LEU 484 Cb 0.07 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2gwm h LEU 484 CO -0.01 0.08 0.21 0.50 -0.34 0.00 0.00 178.44 178.88 2gwm h LYS 485 N 0.35 0.77 -0.45 1.25 3.64 -1.07 -1.78 116.57 119.29 2gwm h LYS 485 Ca 0.32 -0.14 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2gwm h LYS 485 Cb 0.44 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 2gwm h LYS 485 CO -0.35 0.68 0.20 0.93 -2.27 0.00 0.00 179.45 178.63 2gwm h GLU 486 N 0.70 0.38 0.00 1.90 5.08 -0.79 -2.53 114.58 119.32 2gwm h GLU 486 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2gwm h GLU 486 Cb 0.20 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2gwm h GLU 486 CO -0.01 0.25 0.00 0.66 -1.00 0.00 0.00 179.01 178.91 2gwm n TYR 487 N -4.95 0.39 -0.88 4.33 4.02 -0.45 -3.08 117.16 116.54 2gwm n TYR 487 Ca 0.03 0.12 0.08 0.00 -0.01 0.00 0.00 57.90 58.13 2gwm n TYR 487 Cb 0.14 -0.70 0.17 0.00 -0.02 0.00 0.00 39.34 38.94 2gwm n TYR 487 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2gwm n THR 488 N -1.82 1.90 -3.25 -0.72 -2.24 -0.70 -4.90 114.28 102.55 2gwm n THR 488 Ca 0.06 -1.91 -0.43 0.00 -2.27 0.00 0.00 64.05 59.49 2gwm n THR 488 Cb 0.34 -0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 2gwm n THR 488 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2gwm s THR 489 N -2.55 5.00 0.18 4.28 2.01 -0.98 -5.00 115.64 118.58 2gwm s THR 489 Ca 0.32 -0.29 -0.33 0.00 0.31 0.00 0.00 61.69 61.70 2gwm s THR 489 Cb 0.27 -4.12 -0.13 0.00 0.01 0.00 0.00 72.50 68.52 2gwm s THR 489 CO 0.06 -0.53 1.60 -0.38 -0.69 0.00 0.00 174.62 174.68 2gwm n ILE 490 N 5.55 0.06 -0.71 1.82 2.08 -1.26 -0.98 119.36 125.91 2gwm n ILE 490 Ca -0.06 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.24 2gwm n ILE 490 Cb 0.47 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 2gwm n ILE 490 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2gwm n GLY 491 N 3.45 1.31 3.74 7.39 0.00 0.11 -5.02 105.19 116.17 2gwm n GLY 491 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2gwm n GLY 491 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gwm s ASN 492 N -3.17 4.98 -0.18 1.61 2.47 -0.16 -4.69 114.94 115.80 2gwm s ASN 492 Ca 0.00 2.64 -0.01 0.00 0.42 0.00 0.00 52.86 55.91 2gwm s ASN 492 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2gwm s ASN 492 CO 0.00 -1.76 -0.12 -0.63 -3.72 0.00 0.00 177.10 170.87 2gwm s ILE 493 N -1.39 2.80 0.03 -5.21 1.01 -1.26 -1.32 121.20 115.86 2gwm s ILE 493 Ca 0.77 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.79 2gwm s ILE 493 Cb -0.37 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 2gwm s ILE 493 CO 0.42 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 175.04 2gwm s ILE 494 N 1.12 2.85 -0.20 2.92 1.01 0.13 -4.96 121.20 124.06 2gwm s ILE 494 Ca 0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.50 2gwm s ILE 494 Cb -0.14 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 2gwm s ILE 494 CO -0.04 0.36 -0.06 -0.63 0.00 0.00 0.00 174.94 174.57 2gwm s ILE 495 N -0.91 3.31 -0.41 2.92 1.01 -1.26 -1.03 121.20 124.83 2gwm s ILE 495 Ca 0.14 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 60.03 2gwm s ILE 495 Cb -0.11 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.90 2gwm s ILE 495 CO 0.05 0.45 0.83 -0.62 0.00 0.00 0.00 174.94 175.64 2gwm s ASP 496 N 1.21 6.50 0.43 3.58 -1.08 0.10 -4.95 116.67 122.47 2gwm s ASP 496 Ca 0.02 0.17 0.28 0.00 -0.52 0.00 0.00 52.55 52.50 2gwm s ASP 496 Cb -0.14 -2.41 0.92 0.00 -1.46 0.00 0.00 42.92 39.83 2gwm s ASP 496 CO -0.02 -0.87 1.80 0.11 0.52 0.00 0.00 175.17 176.71 2gwm h LYS 497 N 8.77 0.00 -6.76 4.34 1.57 -1.91 0.41 116.57 123.00 2gwm h LYS 497 Ca -0.24 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.09 2gwm h LYS 497 Cb 1.09 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.44 2gwm h LYS 497 CO 0.96 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 179.76 2gwm s ALA 498 N -3.40 4.16 0.41 3.86 0.00 -1.26 -4.06 121.76 121.48 2gwm s ALA 498 Ca 0.05 -1.64 -0.26 0.00 0.00 0.00 0.00 51.96 50.10 2gwm s ALA 498 Cb 0.08 -1.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.27 2gwm s ALA 498 CO 0.57 -0.80 1.41 -0.06 0.00 0.00 0.00 175.76 176.88 2gwm s PHE 499 N -2.72 2.60 -0.25 0.00 0.08 -1.26 -3.88 117.98 112.55 2gwm s PHE 499 Ca 0.59 1.27 -0.01 0.00 0.12 0.00 0.00 56.93 58.91 2gwm s PHE 499 Cb -0.08 -3.89 0.03 0.00 -0.57 0.00 0.00 43.02 38.51 2gwm s PHE 499 CO 0.38 -2.72 -0.06 1.41 -0.10 0.00 0.00 175.22 174.13 2gwm s MET 500 N -2.27 2.76 -0.09 0.44 -2.45 -0.27 -4.95 119.30 112.48 2gwm s MET 500 Ca 0.57 -1.03 -0.13 0.00 -1.25 0.00 0.00 55.69 53.85 2gwm s MET 500 Cb -0.43 -2.99 -0.05 0.00 1.25 0.00 0.00 34.83 32.61 2gwm s MET 500 CO 0.57 -0.43 0.32 0.45 1.05 0.00 0.00 175.02 176.98 2gwm s SER 501 N 1.30 6.58 0.18 1.11 0.15 -1.26 -0.77 113.70 121.00 2gwm s SER 501 Ca -0.01 0.69 -0.05 0.00 0.70 0.00 0.00 55.95 57.28 2gwm s SER 501 Cb -0.17 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2gwm s SER 501 CO -0.04 0.23 0.22 0.42 1.20 0.00 0.00 173.24 175.26 2gwm s THR 502 N -0.36 0.04 -0.02 6.45 -4.23 -0.37 -4.89 115.64 112.26 2gwm s THR 502 Ca 0.20 -1.71 0.07 0.00 -1.18 0.00 0.00 61.69 59.06 2gwm s THR 502 Cb -0.14 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.51 2gwm s THR 502 CO 0.08 -0.18 -0.24 -0.55 -0.54 0.00 0.00 174.62 173.19 2gwm s SER 503 N -3.06 2.82 0.13 3.99 0.15 -0.04 -0.76 113.70 116.93 2gwm s SER 503 Ca 0.27 -0.44 0.24 0.00 0.70 0.00 0.00 55.95 56.72 2gwm s SER 503 Cb 0.05 -0.40 0.93 0.00 -1.71 0.00 0.00 66.02 64.89 2gwm s SER 503 CO 0.06 0.28 1.75 -0.81 1.20 0.00 0.00 173.24 175.72 2gwm n PRO 504 N 2.58 0.13 -0.05 5.44 -0.04 -1.26 -0.58 135.00 141.22 2gwm n PRO 504 Ca -0.16 0.21 -0.07 0.00 -0.04 0.00 0.00 63.50 63.44 2gwm n PRO 504 Cb 0.52 -1.69 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 2gwm n PRO 504 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2gwm n ASP 505 N -1.93 3.16 -3.45 3.54 8.00 -1.26 -4.86 116.55 119.75 2gwm n ASP 505 Ca 0.05 -0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 2gwm n ASP 505 Cb 0.32 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 2gwm n ASP 505 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2gwm s LYS 506 N -2.20 1.17 -0.05 -1.24 -2.85 -1.26 -4.60 119.74 108.72 2gwm s LYS 506 Ca -0.13 -0.33 -0.01 0.00 -1.00 0.00 0.00 55.97 54.50 2gwm s LYS 506 Cb 0.03 0.54 -0.04 0.00 -2.06 0.00 0.00 37.83 36.31 2gwm s LYS 506 CO 0.23 -0.49 0.03 0.00 0.10 0.00 0.00 175.35 175.21 2gwm s ALA 507 N -3.24 3.40 -0.12 0.59 0.00 -0.45 -4.51 121.76 117.43 2gwm s ALA 507 Ca -0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 2gwm s ALA 507 Cb -0.01 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 2gwm s ALA 507 CO -0.09 0.63 1.01 -1.58 0.00 0.00 0.00 175.76 175.73 2gwm s TRP 508 N -1.02 3.49 0.29 0.00 0.52 -1.26 0.19 118.94 121.15 2gwm s TRP 508 Ca 0.17 1.57 -0.30 0.00 0.02 0.00 0.00 56.10 57.56 2gwm s TRP 508 Cb -0.12 -3.20 -0.12 0.00 -1.15 0.00 0.00 33.47 28.89 2gwm s TRP 508 CO 0.07 -0.26 1.50 -0.89 0.02 0.00 0.00 176.95 177.39 2gwm n ILE 509 N 4.65 1.17 -3.56 2.03 5.41 -1.26 -3.85 119.36 123.95 2gwm n ILE 509 Ca 0.09 -0.29 -0.06 0.00 1.00 0.00 0.00 62.75 63.49 2gwm n ILE 509 Cb 0.48 -1.77 0.01 0.00 -0.71 0.00 0.00 39.64 37.65 2gwm n ILE 509 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2gwm n ASN 510 N 1.90 -1.36 0.27 4.38 2.85 -1.26 -4.97 115.26 117.06 2gwm n ASN 510 Ca 0.09 -2.04 0.10 0.00 -0.11 0.00 0.00 54.58 52.61 2gwm n ASN 510 Cb 0.35 2.30 0.71 0.00 1.24 0.00 0.00 39.78 44.38 2gwm n ASN 510 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 2gwm h ASP 511 N 1.26 0.00 -3.42 1.20 3.04 -1.72 -3.37 116.42 113.40 2gwm h ASP 511 Ca -0.21 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.03 2gwm h ASP 511 Cb 0.78 0.00 -0.33 0.00 -1.04 0.00 0.00 39.33 38.74 2gwm h ASP 511 CO 0.26 0.05 -0.83 -0.89 -2.04 0.00 0.00 179.24 175.79 2gwm s THR 512 N -4.76 1.35 -0.21 1.15 2.01 -0.73 -0.02 115.64 114.43 2gwm s THR 512 Ca -0.05 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.30 2gwm s THR 512 Cb 0.16 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 2gwm s THR 512 CO 0.63 0.40 -0.02 -0.63 -0.69 0.00 0.00 174.62 174.31 2gwm s ILE 513 N 0.56 3.65 -0.15 1.82 -1.09 -0.56 -0.88 121.20 124.56 2gwm s ILE 513 Ca -0.15 -0.41 -0.16 0.00 -2.23 0.00 0.00 60.65 57.70 2gwm s ILE 513 Cb -0.16 -2.66 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 2gwm s ILE 513 CO 0.05 0.42 0.40 -0.76 -1.23 0.00 0.00 174.94 173.82 2gwm s LEU 514 N 1.25 4.23 -0.38 2.97 1.43 0.14 -0.70 118.68 127.62 2gwm s LEU 514 Ca 0.03 0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 2gwm s LEU 514 Cb -0.14 -2.56 0.09 0.00 0.03 0.00 0.00 46.19 43.61 2gwm s LEU 514 CO -0.00 0.01 0.16 0.21 0.23 0.00 0.00 176.35 176.95 2gwm s ASN 515 N 0.69 5.23 -0.38 2.29 2.47 -0.27 -1.93 114.94 123.04 2gwm s ASN 515 Ca 0.21 -1.72 -0.07 0.00 0.42 0.00 0.00 52.86 51.70 2gwm s ASN 515 Cb -0.14 -1.83 0.07 0.00 -1.45 0.00 0.00 41.25 37.90 2gwm s ASN 515 CO 0.08 -0.46 0.19 -0.63 -3.72 0.00 0.00 177.10 172.55 2gwm s ILE 516 N 1.23 3.89 0.34 -5.21 1.01 0.14 -1.03 121.20 121.57 2gwm s ILE 516 Ca 0.04 -1.39 -0.26 0.00 0.00 0.00 0.00 60.65 59.04 2gwm s ILE 516 Cb -0.22 -3.35 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 2gwm s ILE 516 CO -0.02 -0.40 0.96 -0.31 0.00 0.00 0.00 174.94 175.17 2gwm s TYR 517 N 1.37 3.63 -0.01 3.97 2.02 0.34 -0.65 117.35 128.02 2gwm s TYR 517 Ca 0.02 1.76 0.06 0.00 -0.37 0.00 0.00 57.07 58.54 2gwm s TYR 517 Cb -0.22 -2.95 -0.02 0.00 -0.40 0.00 0.00 41.96 38.38 2gwm s TYR 517 CO 0.01 0.09 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.37 2gwm s LEU 518 N -2.16 2.05 0.23 -1.29 1.43 0.24 -1.14 118.68 118.05 2gwm s LEU 518 Ca 0.51 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 2gwm s LEU 518 Cb -0.19 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 2gwm s LEU 518 CO 0.24 0.24 0.32 -1.61 0.23 0.00 0.00 176.35 175.77 2gwm s GLU 519 N -0.53 3.32 0.33 1.70 0.41 -1.26 -4.65 118.70 118.02 2gwm s GLU 519 Ca 0.08 -0.81 -0.29 0.00 -0.41 0.00 0.00 54.97 53.53 2gwm s GLU 519 Cb -0.08 -2.82 -0.11 0.00 -1.78 0.00 0.00 34.13 29.34 2gwm s GLU 519 CO -0.01 0.43 1.56 0.15 -0.49 0.00 0.00 175.26 176.91 2gwm s LYS 520 N -3.87 4.11 0.00 1.61 1.02 -1.26 -2.80 119.74 118.54 2gwm s LYS 520 Ca 0.34 2.59 0.00 0.00 0.02 0.00 0.00 55.97 58.92 2gwm s LYS 520 Cb -0.09 -3.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2gwm s LYS 520 CO 0.28 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.51 2gwm n GLY 521 N 1.53 0.78 3.63 -3.33 0.00 -1.26 -5.05 105.19 101.49 2gwm n GLY 521 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2gwm n GLY 521 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gwm s HIS 522 N -2.19 1.82 -2.46 1.61 -3.43 -1.12 -4.95 115.29 104.58 2gwm s HIS 522 Ca 0.00 1.35 0.25 0.00 -0.80 0.00 0.00 55.06 55.86 2gwm s HIS 522 Cb 0.00 -3.18 0.86 0.00 -1.43 0.00 0.00 32.58 28.83 2gwm s HIS 522 CO 0.00 -3.01 1.63 1.63 -2.00 0.00 0.00 174.74 172.99 2gwm n LYS 523 N -4.33 1.77 -2.46 -0.38 5.02 -1.26 -4.91 118.16 111.61 2gwm n LYS 523 Ca 0.07 -1.13 -0.37 0.00 -2.02 0.00 0.00 58.31 54.85 2gwm n LYS 523 Cb 0.54 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 2gwm n LYS 523 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2gwm s GLY 524 N -1.83 2.81 -0.01 0.72 0.00 -1.26 -4.49 107.32 103.26 2gwm s GLY 524 Ca 0.35 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.88 2gwm s GLY 524 CO 0.31 1.27 -0.02 0.50 0.00 0.00 0.00 173.10 175.16 2gwm s ARG 525 N -2.33 0.22 0.12 2.90 1.81 -0.31 -4.85 118.95 116.52 2gwm s ARG 525 Ca 0.56 -0.04 -0.31 0.00 -1.72 0.00 0.00 55.73 54.22 2gwm s ARG 525 Cb -0.26 -0.27 -0.07 0.00 -0.45 0.00 0.00 34.95 33.90 2gwm s ARG 525 CO 0.32 0.00 1.29 0.42 -0.68 0.00 0.00 175.30 176.65 2gwm s ILE 526 N 0.23 3.58 0.07 1.52 -1.09 -1.26 -1.10 121.20 123.15 2gwm s ILE 526 Ca -0.02 1.18 -0.11 0.00 -2.23 0.00 0.00 60.65 59.47 2gwm s ILE 526 Cb -0.04 -3.75 -0.28 0.00 -1.58 0.00 0.00 42.46 36.81 2gwm s ILE 526 CO -0.01 0.12 1.14 -0.07 -1.23 0.00 0.00 174.94 174.89 2gwm h LEU 527 N 6.41 0.71 0.00 2.97 -0.00 -1.56 -3.45 115.31 120.39 2gwm h LEU 527 Ca -0.43 -0.67 0.00 0.00 -0.00 0.00 0.00 57.88 56.78 2gwm h LEU 527 Cb 1.21 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 2gwm h LEU 527 CO 0.82 1.49 0.00 0.61 -0.00 0.00 0.00 178.44 181.36 2gwm n GLY 528 N 1.36 3.44 0.00 0.83 0.00 -1.26 -1.75 105.19 107.82 2gwm n GLY 528 Ca -0.12 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2gwm n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gwm n ASP 529 N 4.42 0.00 0.20 1.61 2.03 -1.26 -1.97 116.55 121.58 2gwm n ASP 529 Ca 0.00 0.04 0.05 0.00 0.52 0.00 0.00 54.79 55.40 2gwm n ASP 529 Cb 0.00 -0.32 0.42 0.00 -0.72 0.00 0.00 41.12 40.51 2gwm n ASP 529 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2gwm h VAL 530 N 0.00 1.07 -4.01 5.18 2.07 -1.73 -3.44 116.25 115.39 2gwm h VAL 530 Ca 0.00 -1.17 -0.53 0.00 0.82 0.00 0.00 66.70 65.81 2gwm h VAL 530 Cb 0.25 1.66 0.10 0.00 -1.52 0.00 0.00 31.29 31.78 2gwm h VAL 530 CO 0.00 0.32 0.59 0.00 0.02 0.00 0.00 177.57 178.49 2gwm s ALA 531 N -4.09 3.00 0.01 1.67 0.00 -0.83 -4.51 121.76 117.00 2gwm s ALA 531 Ca -0.02 1.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 2gwm s ALA 531 Cb 0.14 -3.50 -0.19 0.00 0.00 0.00 0.00 23.12 19.57 2gwm s ALA 531 CO 0.69 -1.05 1.37 1.25 0.00 0.00 0.00 175.76 178.03 2gwm h HIS 532 N 1.98 -0.05 -3.13 0.00 2.76 -1.84 -3.40 115.15 111.47 2gwm h HIS 532 Ca -0.50 -0.00 -0.61 0.00 -2.20 0.00 0.00 60.37 57.06 2gwm h HIS 532 Cb 1.27 0.02 -0.09 0.00 1.55 0.00 0.00 27.41 30.16 2gwm h HIS 532 CO 0.50 0.31 -0.36 -0.06 -1.30 0.00 0.00 177.93 177.01 2gwm s PHE 533 N -4.75 3.52 0.41 5.26 0.08 -1.26 -5.06 117.98 116.18 2gwm s PHE 533 Ca -0.15 0.60 0.01 0.00 0.12 0.00 0.00 56.93 57.51 2gwm s PHE 533 Cb 0.03 -2.23 -0.01 0.00 -0.57 0.00 0.00 43.02 40.24 2gwm s PHE 533 CO 0.65 0.40 0.62 0.15 -0.10 0.00 0.00 175.22 176.94 2gwm s LYS 534 N -0.05 3.16 0.00 0.44 -0.14 -1.26 -4.54 119.74 117.35 2gwm s LYS 534 Ca 0.16 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 2gwm s LYS 534 Cb -0.13 -2.61 0.00 0.00 -1.68 0.00 0.00 37.83 33.41 2gwm s LYS 534 CO 0.04 -0.14 0.00 0.41 -0.76 0.00 0.00 175.35 174.90 2gwm n GLY 535 N -1.96 0.42 2.61 -3.33 0.00 -1.26 -4.98 105.19 96.69 2gwm n GLY 535 Ca -0.00 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 2gwm n GLY 535 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gwm s GLU 536 N -1.57 0.30 0.26 1.61 1.03 -1.26 -5.12 118.70 113.95 2gwm s GLU 536 Ca 0.00 -0.51 -0.30 0.00 0.03 0.00 0.00 54.97 54.19 2gwm s GLU 536 Cb 0.00 -1.55 -0.14 0.00 -0.80 0.00 0.00 34.13 31.65 2gwm s GLU 536 CO 0.00 -0.90 1.27 0.00 -1.33 0.00 0.00 175.26 174.30 2gwm n ALA 537 N 5.17 0.63 -3.75 -0.84 0.00 -1.26 -4.97 120.51 115.48 2gwm n ALA 537 Ca -0.06 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.64 2gwm n ALA 537 Cb 0.44 -2.19 -0.15 0.00 0.00 0.00 0.00 19.45 17.55 2gwm n ALA 537 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2gwm s GLU 538 N -0.96 0.03 -0.29 0.00 2.12 -1.26 -4.50 118.70 113.84 2gwm s GLU 538 Ca 0.64 0.31 -0.07 0.00 0.36 0.00 0.00 54.97 56.21 2gwm s GLU 538 Cb -0.67 -0.23 -0.00 0.00 0.26 0.00 0.00 34.13 33.49 2gwm s GLU 538 CO 0.55 -0.18 0.09 1.41 -0.54 0.00 0.00 175.26 176.59 2gwm s MET 539 N 1.24 3.26 -0.08 4.30 -2.45 0.06 -1.21 119.30 124.42 2gwm s MET 539 Ca -0.08 -0.75 -0.03 0.00 -1.25 0.00 0.00 55.69 53.59 2gwm s MET 539 Cb -0.12 -3.39 -0.03 0.00 1.25 0.00 0.00 34.83 32.53 2gwm s MET 539 CO -0.05 -0.38 0.03 -1.17 1.05 0.00 0.00 175.02 174.51 2gwm s LEU 540 N 1.55 3.75 0.00 4.11 2.96 -0.26 -1.24 118.68 129.55 2gwm s LEU 540 Ca 0.04 0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.19 2gwm s LEU 540 Cb -0.17 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2gwm s LEU 540 CO 0.03 0.37 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.95 2gwm s PHE 541 N -0.94 2.73 0.98 5.38 0.08 0.05 -1.16 117.98 125.09 2gwm s PHE 541 Ca 0.15 -0.14 -0.13 0.00 0.12 0.00 0.00 56.93 56.92 2gwm s PHE 541 Cb -0.11 -1.57 0.18 0.00 -0.57 0.00 0.00 43.02 40.94 2gwm s PHE 541 CO 0.04 0.28 1.13 -1.25 -0.10 0.00 0.00 175.22 175.32 2gwm s PRO 542 N -1.24 0.60 0.58 0.24 0.04 -1.26 -1.11 135.00 132.85 2gwm s PRO 542 Ca 0.15 0.27 -0.19 0.00 0.04 0.00 0.00 61.00 61.26 2gwm s PRO 542 Cb -0.11 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 2gwm s PRO 542 CO 0.05 -2.56 0.99 -2.30 0.04 0.00 0.00 177.00 173.21 2gwm n PRO 543 N -4.01 0.98 -2.15 0.56 -0.02 -1.25 -3.79 135.00 125.31 2gwm n PRO 543 Ca 0.07 0.37 -0.02 0.00 -2.02 0.00 0.00 63.50 61.90 2gwm n PRO 543 Cb 0.59 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2gwm n PRO 543 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2gwm n ASN 544 N -0.65 -1.73 -4.73 2.55 3.02 0.14 -4.97 115.26 108.89 2gwm n ASN 544 Ca 0.13 -0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 2gwm n ASN 544 Cb 0.46 -1.01 -0.02 0.00 -0.61 0.00 0.00 39.78 38.60 2gwm n ASN 544 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2gwm s THR 545 N -2.28 2.23 -0.18 3.41 2.01 -1.08 -4.71 115.64 115.03 2gwm s THR 545 Ca 0.01 0.18 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 2gwm s THR 545 Cb -0.01 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2gwm s THR 545 CO 0.01 0.02 0.10 -0.75 -0.69 0.00 0.00 174.62 173.31 2gwm s LYS 546 N 0.49 4.01 0.02 4.92 2.20 -1.26 -0.72 119.74 129.41 2gwm s LYS 546 Ca 0.69 -0.27 0.03 0.00 -0.36 0.00 0.00 55.97 56.06 2gwm s LYS 546 Cb -0.47 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 32.53 2gwm s LYS 546 CO 0.38 0.34 -0.09 -0.51 -0.36 0.00 0.00 175.35 175.11 2gwm s LEU 547 N 0.21 2.14 -0.16 5.43 1.02 -0.20 -0.37 118.68 126.75 2gwm s LEU 547 Ca 0.07 -0.36 -0.07 0.00 0.02 0.00 0.00 54.13 53.78 2gwm s LEU 547 Cb -0.12 -0.33 -0.04 0.00 0.02 0.00 0.00 46.19 45.72 2gwm s LEU 547 CO -0.01 -0.04 0.09 -0.75 0.02 0.00 0.00 176.35 175.66 2gwm s LYS 548 N -0.93 3.77 -0.43 1.70 2.20 0.68 -0.70 119.74 126.04 2gwm s LYS 548 Ca -0.02 -0.27 -0.25 0.00 -0.36 0.00 0.00 55.97 55.07 2gwm s LYS 548 Cb -0.07 -3.20 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 2gwm s LYS 548 CO 0.00 0.46 0.89 0.42 -0.36 0.00 0.00 175.35 176.76 2gwm s ILE 549 N -0.14 4.55 -0.22 5.43 -1.09 -0.43 -0.99 121.20 128.32 2gwm s ILE 549 Ca 0.08 0.82 -0.12 0.00 -2.23 0.00 0.00 60.65 59.20 2gwm s ILE 549 Cb -0.12 -4.37 -0.18 0.00 -1.58 0.00 0.00 42.46 36.20 2gwm s ILE 549 CO 0.01 -0.71 0.02 -0.62 -1.23 0.00 0.00 174.94 172.41 2gwm n GLU 550 N 6.94 0.63 -3.61 2.79 1.02 0.05 0.09 120.64 128.56 2gwm n GLU 550 Ca 0.05 0.35 -0.11 0.00 -0.02 0.00 0.00 57.16 57.43 2gwm n GLU 550 Cb 0.48 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 30.23 2gwm n GLU 550 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2gwm s SER 551 N -7.02 -0.30 -0.07 1.62 1.04 -1.00 -4.66 113.70 103.31 2gwm s SER 551 Ca -0.31 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 55.95 2gwm s SER 551 Cb 0.09 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2gwm s SER 551 CO 0.61 -0.83 -0.18 -0.63 0.98 0.00 0.00 173.24 173.18 2gwm s ILE 552 N -3.53 1.57 -0.28 -1.02 1.09 -1.26 -0.73 121.20 117.04 2gwm s ILE 552 Ca 0.01 -0.75 0.02 0.00 -1.10 0.00 0.00 60.65 58.84 2gwm s ILE 552 Cb 0.01 -1.38 0.07 0.00 -1.06 0.00 0.00 42.46 40.11 2gwm s ILE 552 CO -0.10 0.45 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.47 2gwm s VAL 553 N 0.39 1.91 0.51 2.92 1.01 0.42 -5.00 120.40 122.56 2gwm s VAL 553 Ca -0.14 -1.69 -0.19 0.00 0.00 0.00 0.00 61.98 59.96 2gwm s VAL 553 Cb -0.16 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 2gwm s VAL 553 CO 0.05 -0.26 1.02 0.20 0.00 0.00 0.00 175.10 176.12 2gwm s ASN 554 N 1.17 6.31 0.72 3.32 0.01 -1.26 -0.90 114.94 124.31 2gwm s ASN 554 Ca -0.01 1.82 -0.16 0.00 -0.71 0.00 0.00 52.86 53.80 2gwm s ASN 554 Cb -0.19 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 38.92 2gwm s ASN 554 CO -0.08 -0.80 0.86 0.00 -1.51 0.00 0.00 177.10 175.58 2gwm n GLY 556 N 1.22 1.26 3.19 0.00 0.00 -1.26 -5.04 105.19 104.55 2gwm n GLY 556 Ca 0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2gwm n GLY 556 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gwm s SER 557 N -2.38 0.26 0.26 1.61 1.04 -1.26 -5.03 113.70 108.19 2gwm s SER 557 Ca 0.00 -1.12 -0.02 0.00 0.48 0.00 0.00 55.95 55.28 2gwm s SER 557 Cb 0.00 0.32 0.32 0.00 0.10 0.00 0.00 66.02 66.77 2gwm s SER 557 CO 0.00 -0.76 1.76 -0.61 0.98 0.00 0.00 173.24 174.61 2gwm h GLN 558 N 2.81 0.82 -0.40 4.02 5.75 -1.98 -0.45 115.11 125.68 2gwm h GLN 558 Ca -0.34 -0.21 0.07 0.00 -0.15 0.00 0.00 58.65 58.01 2gwm h GLN 558 Cb 1.20 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.59 2gwm h GLN 558 CO 0.57 0.81 0.04 0.22 -2.65 0.00 0.00 178.83 177.82 2gwm h ASP 559 N 0.77 -0.08 -0.16 -0.69 3.58 -1.96 0.31 116.42 118.20 2gwm h ASP 559 Ca 0.15 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2gwm h ASP 559 Cb 0.43 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 2gwm h ASP 559 CO 0.02 -0.00 0.10 0.15 -2.88 0.00 0.00 179.24 176.62 2gwm h PHE 560 N 0.16 0.20 -0.76 0.28 3.57 -1.76 -0.03 116.94 118.60 2gwm h PHE 560 Ca 0.20 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2gwm h PHE 560 Cb 0.26 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 2gwm h PHE 560 CO -0.23 0.15 0.49 0.00 -2.23 0.00 0.00 178.31 176.49 2gwm h ALA 561 N 1.03 0.98 -0.13 2.41 0.00 -0.72 0.12 119.26 122.95 2gwm h ALA 561 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2gwm h ALA 561 Cb 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2gwm h ALA 561 CO -0.01 0.31 -0.05 1.03 0.00 0.00 0.00 179.25 180.53 2gwm h SER 562 N 0.96 0.27 -0.70 0.00 0.87 -0.81 -1.37 113.55 112.77 2gwm h SER 562 Ca 0.29 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2gwm h SER 562 Cb -0.03 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2gwm h SER 562 CO -0.09 0.61 0.41 1.56 -0.53 0.00 0.00 176.83 178.79 2gwm h GLN 563 N -0.07 0.96 -0.74 2.24 4.20 -0.61 -2.06 115.11 119.03 2gwm h GLN 563 Ca 0.03 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2gwm h GLN 563 Cb 0.50 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2gwm h GLN 563 CO 0.02 0.70 0.36 1.25 -0.67 0.00 0.00 178.83 180.48 2gwm h LEU 564 N 0.96 0.96 -1.83 1.46 5.85 -0.74 -2.19 115.31 119.78 2gwm h LEU 564 Ca 0.25 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2gwm h LEU 564 Cb -0.01 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 2gwm h LEU 564 CO -0.04 0.81 0.00 0.77 -0.34 0.00 0.00 178.44 179.63 2gwm h SER 565 N 1.05 0.00 -0.23 1.25 4.64 -0.55 -1.74 113.55 117.98 2gwm h SER 565 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2gwm h SER 565 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2gwm h SER 565 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 2gwm n LYS 566 N -3.00 2.28 -3.72 4.77 5.02 -0.84 -4.86 118.16 117.81 2gwm n LYS 566 Ca -0.00 -1.90 -0.31 0.00 -2.02 0.00 0.00 58.31 54.07 2gwm n LYS 566 Cb 0.23 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.71 2gwm n LYS 566 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gwm s LEU 567 N -1.68 4.28 -0.23 -0.35 1.43 -0.66 -5.09 118.68 116.37 2gwm s LEU 567 Ca 0.35 0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 53.81 2gwm s LEU 567 Cb 0.21 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 2gwm s LEU 567 CO 0.31 0.06 0.34 -0.60 0.23 0.00 0.00 176.35 176.68 2gwm s ARG 568 N -2.71 4.10 0.17 1.70 3.52 -1.26 -5.01 118.95 119.45 2gwm s ARG 568 Ca 0.40 0.05 0.06 0.00 -0.13 0.00 0.00 55.73 56.10 2gwm s ARG 568 Cb -0.12 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 2gwm s ARG 568 CO 0.26 -0.08 0.05 -0.51 -0.81 0.00 0.00 175.30 174.21 2gwm s LEU 569 N 1.47 3.52 0.29 -0.88 1.43 -1.26 -1.34 118.68 121.90 2gwm s LEU 569 Ca 0.15 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.68 2gwm s LEU 569 Cb -0.15 -2.15 -0.13 0.00 0.03 0.00 0.00 46.19 43.79 2gwm s LEU 569 CO 0.08 0.08 1.19 -1.54 0.23 0.00 0.00 176.35 176.39 2gwm n SER 570 N -0.20 2.07 -2.04 2.29 3.41 0.13 -4.81 113.62 114.48 2gwm n SER 570 Ca -0.09 1.18 -0.11 0.00 -0.26 0.00 0.00 58.87 59.59 2gwm n SER 570 Cb 0.55 -1.38 0.05 0.00 -0.26 0.00 0.00 64.21 63.18 2gwm n SER 570 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2gwm n ASP 571 N 1.28 3.18 -3.03 4.04 2.03 -1.26 -4.77 116.55 118.01 2gwm n ASP 571 Ca 0.09 -3.11 -0.15 0.00 0.52 0.00 0.00 54.79 52.13 2gwm n ASP 571 Cb 0.33 -0.40 0.13 0.00 -0.72 0.00 0.00 41.12 40.45 2gwm n ASP 571 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2gwm n ASP 572 N -0.63 -1.31 0.30 1.67 5.75 -1.26 -4.82 116.55 116.24 2gwm n ASP 572 Ca 0.27 -0.91 0.16 0.00 -0.01 0.00 0.00 54.79 54.30 2gwm n ASP 572 Cb 0.90 -0.52 0.91 0.00 -1.03 0.00 0.00 41.12 41.38 2gwm n ASP 572 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gwm h ALA 573 N -2.30 1.41 -0.09 2.12 0.00 -2.06 -1.89 119.26 116.45 2gwm h ALA 573 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2gwm h ALA 573 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2gwm h ALA 573 CO 0.14 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.67 2gwm n THR 574 N -3.71 1.77 -1.78 0.00 -2.24 -1.26 -5.03 114.28 102.03 2gwm n THR 574 Ca -0.03 -1.87 -0.42 0.00 -2.27 0.00 0.00 64.05 59.46 2gwm n THR 574 Cb 0.11 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 2gwm n THR 574 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gwm s ALA 575 N -2.42 3.89 -0.28 6.98 0.00 -0.71 -4.98 121.76 124.23 2gwm s ALA 575 Ca 0.28 1.54 0.02 0.00 0.00 0.00 0.00 51.96 53.80 2gwm s ALA 575 Cb 0.24 -3.68 0.16 0.00 0.00 0.00 0.00 23.12 19.84 2gwm s ALA 575 CO 0.05 -0.90 0.43 0.34 0.00 0.00 0.00 175.76 175.68 2gwm s ASP 576 N 1.10 0.08 0.39 0.00 -1.08 -1.26 -4.97 116.67 110.93 2gwm s ASP 576 Ca 0.73 -0.17 0.28 0.00 -0.52 0.00 0.00 52.55 52.86 2gwm s ASP 576 Cb -0.48 1.25 1.37 0.00 -1.46 0.00 0.00 42.92 43.59 2gwm s ASP 576 CO 0.33 -0.34 1.84 0.71 0.52 0.00 0.00 175.17 178.23 2gwm h THR 577 N 6.14 0.00 0.00 1.71 1.35 -1.97 -2.06 112.91 118.08 2gwm h THR 577 Ca -0.10 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2gwm h THR 577 Cb 1.13 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2gwm h THR 577 CO 0.25 0.00 0.00 0.78 -0.25 0.00 0.00 175.52 176.30 2gwm h ASN 578 N 0.00 0.00 0.91 5.36 -0.26 -2.00 -1.94 115.58 117.66 2gwm h ASN 578 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2gwm h ASN 578 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 2gwm h ASN 578 CO 0.00 0.00 0.00 0.54 -1.06 0.00 0.00 177.43 176.91 2gwm n ARG 579 N -2.47 0.21 -2.69 0.81 1.74 -0.77 -4.84 116.66 108.66 2gwm n ARG 579 Ca 0.00 0.38 -0.42 0.00 -0.77 0.00 0.00 57.85 57.04 2gwm n ARG 579 Cb 0.18 -1.86 -0.03 0.00 -1.02 0.00 0.00 32.46 29.72 2gwm n ARG 579 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2gwm s ILE 580 N -3.27 4.80 -0.17 0.55 1.01 -0.73 -4.22 121.20 119.17 2gwm s ILE 580 Ca 0.06 2.03 0.18 0.00 0.00 0.00 0.00 60.65 62.91 2gwm s ILE 580 Cb 0.10 -4.30 -0.25 0.00 0.01 0.00 0.00 42.46 38.02 2gwm s ILE 580 CO 0.44 0.09 0.18 1.17 0.00 0.00 0.00 174.94 176.82 2gwm n LYS 581 N 4.40 0.68 -3.50 2.79 4.81 0.98 -4.68 118.16 123.64 2gwm n LYS 581 Ca 0.07 0.02 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 2gwm n LYS 581 Cb 0.50 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 33.95 2gwm n LYS 581 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2gwm s ARG 582 N -2.58 1.00 -0.11 1.64 1.70 -0.89 -0.74 118.95 118.98 2gwm s ARG 582 Ca -0.09 -0.02 -0.02 0.00 -0.47 0.00 0.00 55.73 55.13 2gwm s ARG 582 Cb 0.07 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 2gwm s ARG 582 CO 0.83 -0.36 -0.03 0.42 -1.08 0.00 0.00 175.30 175.08 2gwm s ILE 583 N -2.06 4.04 -0.18 4.99 1.01 -0.08 -1.49 121.20 127.43 2gwm s ILE 583 Ca -0.04 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.28 2gwm s ILE 583 Cb -0.00 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.77 2gwm s ILE 583 CO 0.00 0.56 -0.19 -0.63 0.00 0.00 0.00 174.94 174.68 2gwm s ILE 584 N -0.42 2.10 -0.24 2.92 1.01 0.12 -0.44 121.20 126.24 2gwm s ILE 584 Ca 0.07 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.60 2gwm s ILE 584 Cb -0.12 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2gwm s ILE 584 CO 0.02 0.53 0.55 0.20 0.00 0.00 0.00 174.94 176.25 2gwm s ASN 585 N 1.29 6.52 0.25 3.58 -0.87 0.09 -1.11 114.94 124.68 2gwm s ASN 585 Ca 0.05 0.63 0.04 0.00 -1.57 0.00 0.00 52.86 52.01 2gwm s ASN 585 Cb -0.13 -2.30 -0.05 0.00 -0.02 0.00 0.00 41.25 38.74 2gwm s ASN 585 CO -0.13 -0.29 -0.02 -0.04 -2.57 0.00 0.00 177.10 174.06 2gwm s MET 586 N 2.19 1.41 -0.02 -0.60 -1.94 -0.20 -0.77 119.30 119.36 2gwm s MET 586 Ca 0.24 -1.71 -0.00 0.00 -1.71 0.00 0.00 55.69 52.50 2gwm s MET 586 Cb -0.16 -0.79 0.03 0.00 2.01 0.00 0.00 34.83 35.93 2gwm s MET 586 CO 0.09 -0.06 0.04 0.50 -0.01 0.00 0.00 175.02 175.58 2gwm s ARG 587 N -3.82 -0.04 0.05 2.03 3.52 -0.16 -0.50 118.95 120.03 2gwm s ARG 587 Ca 0.29 0.21 -0.31 0.00 -0.13 0.00 0.00 55.73 55.79 2gwm s ARG 587 Cb 0.05 -0.26 -0.06 0.00 -1.56 0.00 0.00 34.95 33.12 2gwm s ARG 587 CO 0.10 -0.18 1.26 0.08 -0.81 0.00 0.00 175.30 175.75 2gwm s VAL 588 N 1.15 3.88 -0.42 7.11 1.01 -0.29 -0.23 120.40 132.61 2gwm s VAL 588 Ca -0.08 1.33 -0.19 0.00 0.00 0.00 0.00 61.98 63.03 2gwm s VAL 588 Cb -0.13 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.42 2gwm s VAL 588 CO -0.03 0.08 0.56 -0.76 0.00 0.00 0.00 175.10 174.94 2gwm s LEU 589 N 1.38 4.62 0.00 3.92 1.43 0.50 -4.48 118.68 126.04 2gwm s LEU 589 Ca 0.60 -0.43 0.20 0.00 -1.03 0.00 0.00 54.13 53.47 2gwm s LEU 589 Cb -0.31 -2.59 1.22 0.00 0.03 0.00 0.00 46.19 44.55 2gwm s LEU 589 CO 0.28 -0.68 1.61 0.59 0.23 0.00 0.00 176.35 178.38