#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wct s ILE 390 N 0.00 3.68 0.07 -0.18 1.01 -1.26 -1.49 121.20 123.03 2wct s ILE 390 Ca 0.00 0.47 -0.20 0.00 0.00 0.00 0.00 60.65 60.92 2wct s ILE 390 Cb 0.00 -4.56 -0.11 0.00 0.01 0.00 0.00 42.46 37.80 2wct s ILE 390 CO 0.00 -1.43 1.49 0.50 0.00 0.00 0.00 174.94 175.49 2wct h LYS 391 N 11.32 0.34 -3.32 2.79 1.63 -1.33 -3.47 116.57 124.54 2wct h LYS 391 Ca -0.27 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.38 2wct h LYS 391 Cb 1.09 -0.03 -0.12 0.00 -0.60 0.00 0.00 32.23 32.57 2wct h LYS 391 CO 1.23 0.57 -0.00 0.00 -3.45 0.00 0.00 179.45 177.80 2wct s ALA 392 N -4.91 -1.01 -0.13 5.00 0.00 -1.09 -5.05 121.76 114.57 2wct s ALA 392 Ca -0.14 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2wct s ALA 392 Cb 0.06 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.98 2wct s ALA 392 CO 0.73 -0.72 -0.18 0.00 0.00 0.00 0.00 175.76 175.59 2wct s ILE 394 N 0.98 3.20 0.00 0.00 1.09 -0.15 -4.81 121.20 121.52 2wct s ILE 394 Ca -0.05 0.61 0.00 0.00 -1.10 0.00 0.00 60.65 60.12 2wct s ILE 394 Cb -0.15 -3.39 0.00 0.00 -1.06 0.00 0.00 42.46 37.86 2wct s ILE 394 CO -0.03 -0.01 0.06 -0.67 -0.10 0.00 0.00 174.94 174.18 2wct n ASP 395 N 5.68 0.11 0.00 3.58 -0.08 -1.20 -4.37 116.55 120.27 2wct n ASP 395 Ca 0.15 -0.68 0.00 0.00 -1.51 0.00 0.00 54.79 52.75 2wct n ASP 395 Cb 0.41 0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.93 2wct n ASP 395 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2wct n GLU 396 N -0.06 0.00 -3.63 -0.67 0.00 -1.17 -4.92 120.64 110.19 2wct n GLU 396 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.13 2wct n GLU 396 Cb 0.13 -1.15 -0.05 0.00 0.00 0.00 0.00 31.44 30.37 2wct n GLU 396 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2wct s VAL 397 N -2.78 -0.47 -0.37 6.31 -7.23 -1.26 -4.68 120.40 109.92 2wct s VAL 397 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.23 2wct s VAL 397 Cb 0.00 -1.00 0.52 0.00 0.56 0.00 0.00 36.38 36.46 2wct s VAL 397 CO 0.00 0.00 1.58 0.35 -0.31 0.00 0.00 175.10 176.72 2wct n THR 398 N 4.81 2.82 -3.74 5.32 -2.24 -1.26 -5.02 114.28 114.97 2wct n THR 398 Ca -0.16 -2.91 -0.24 0.00 -2.27 0.00 0.00 64.05 58.47 2wct n THR 398 Cb 0.54 -0.60 -0.17 0.00 -2.10 0.00 0.00 70.33 68.00 2wct n THR 398 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wct s THR 399 N -3.72 0.33 0.28 4.28 -4.23 -1.26 -5.10 115.64 106.22 2wct s THR 399 Ca 0.51 -0.08 0.10 0.00 -1.18 0.00 0.00 61.69 61.04 2wct s THR 399 Cb 0.43 -0.65 -0.05 0.00 1.34 0.00 0.00 72.50 73.58 2wct s THR 399 CO 0.02 0.06 -0.05 0.42 -0.54 0.00 0.00 174.62 174.53 2wct s THR 400 N 1.97 3.12 0.22 3.99 -4.23 -1.26 -3.05 115.64 116.40 2wct s THR 400 Ca 0.03 -2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 58.42 2wct s THR 400 Cb -0.14 -2.71 0.17 0.00 1.34 0.00 0.00 72.50 71.16 2wct s THR 400 CO -0.06 -0.36 1.81 0.25 -0.54 0.00 0.00 174.62 175.72 2wct h LEU 401 N 1.97 1.07 -0.84 4.79 5.85 -1.98 0.12 115.31 126.28 2wct h LEU 401 Ca -0.43 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.05 2wct h LEU 401 Cb 1.25 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2wct h LEU 401 CO 0.61 0.90 -0.35 1.05 -0.34 0.00 0.00 178.44 180.31 2wct h GLU 402 N 1.16 0.45 -0.28 1.25 9.09 -2.00 -2.42 114.58 121.84 2wct h GLU 402 Ca 0.28 -0.20 -0.19 0.00 0.05 0.00 0.00 59.36 59.30 2wct h GLU 402 Cb 0.11 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 2wct h GLU 402 CO -0.04 0.74 -0.56 1.49 0.05 0.00 0.00 179.01 180.69 2wct h GLU 403 N 0.39 0.86 0.00 1.06 4.81 -1.84 -3.24 114.58 116.62 2wct h GLU 403 Ca 0.04 -0.56 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2wct h GLU 403 Cb 0.79 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 2wct h GLU 403 CO 0.06 1.19 -0.09 1.79 -0.73 0.00 0.00 179.01 181.23 2wct h THR 404 N 0.66 0.19 0.00 0.32 1.35 -0.64 -3.22 112.91 111.56 2wct h THR 404 Ca 0.01 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2wct h THR 404 Cb 1.17 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2wct h THR 404 CO 0.12 0.09 0.00 0.11 -0.25 0.00 0.00 175.52 175.59 2wct h LYS 405 N 0.00 0.00 -0.05 4.72 1.57 -1.46 -1.03 116.57 120.33 2wct h LYS 405 Ca -0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 2wct h LYS 405 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2wct h LYS 405 CO 0.01 0.00 -0.72 0.74 -0.57 0.00 0.00 179.45 178.91 2wct h PHE 406 N 0.00 0.35 0.10 -1.35 0.04 -1.75 -3.29 116.94 111.05 2wct h PHE 406 Ca 0.00 -0.16 -0.28 0.00 2.80 0.00 0.00 57.97 60.33 2wct h PHE 406 Cb 0.10 -0.05 0.02 0.00 2.20 0.00 0.00 35.95 38.21 2wct h PHE 406 CO 0.00 0.89 -1.19 -0.07 -0.60 0.00 0.00 178.31 177.34 2wct h LEU 407 N 0.17 0.71 -7.00 1.54 -0.00 -1.41 -3.48 115.31 105.84 2wct h LEU 407 Ca -0.02 -0.66 0.05 0.00 -0.00 0.00 0.00 57.88 57.25 2wct h LEU 407 Cb 1.28 -0.22 -0.18 0.00 -0.00 0.00 0.00 40.66 41.54 2wct h LEU 407 CO 0.11 1.48 0.42 0.28 -0.00 0.00 0.00 178.44 180.74 2wct s THR 408 N -2.96 0.00 0.00 0.22 -1.32 -1.02 -4.97 115.64 105.60 2wct s THR 408 Ca -0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 2wct s THR 408 Cb 0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 2wct s THR 408 CO 0.91 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 170.12 2wct n ASN 409 N 0.29 2.14 -4.73 8.08 5.15 -1.26 -3.94 115.26 120.98 2wct n ASN 409 Ca -0.12 -0.27 -0.42 0.00 -0.60 0.00 0.00 54.58 53.17 2wct n ASN 409 Cb 0.60 0.97 -0.03 0.00 -0.53 0.00 0.00 39.78 40.79 2wct n ASN 409 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wct s LYS 410 N -1.39 4.24 0.04 1.20 1.02 -1.26 -4.86 119.74 118.73 2wct s LYS 410 Ca 0.00 2.33 0.08 0.00 0.02 0.00 0.00 55.97 58.40 2wct s LYS 410 Cb 0.00 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 2wct s LYS 410 CO 0.00 -0.51 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.19 2wct s LEU 411 N 0.29 2.39 -0.35 3.17 1.43 -0.96 -1.72 118.68 122.92 2wct s LEU 411 Ca 0.64 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2wct s LEU 411 Cb -0.43 -1.40 0.07 0.00 0.03 0.00 0.00 46.19 44.46 2wct s LEU 411 CO 0.38 0.26 0.11 -0.22 0.23 0.00 0.00 176.35 177.11 2wct s LEU 412 N -1.35 4.53 0.15 1.79 2.96 -0.67 -1.35 118.68 124.73 2wct s LEU 412 Ca 0.13 -1.47 0.04 0.00 -0.22 0.00 0.00 54.13 52.61 2wct s LEU 412 Cb -0.10 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2wct s LEU 412 CO 0.04 -0.39 0.19 -0.76 -1.32 0.00 0.00 176.35 174.11 2wct s LEU 413 N 1.28 4.02 -0.03 -0.68 1.43 0.19 -4.34 118.68 120.54 2wct s LEU 413 Ca 0.00 -0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.18 2wct s LEU 413 Cb -0.21 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 2wct s LEU 413 CO -0.00 0.07 -0.25 -0.36 0.23 0.00 0.00 176.35 176.04 2wct s PHE 414 N -1.72 2.38 0.25 0.29 0.08 -1.26 -1.76 117.98 116.23 2wct s PHE 414 Ca 0.32 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.89 2wct s PHE 414 Cb -0.11 -1.53 -0.05 0.00 -0.57 0.00 0.00 43.02 40.76 2wct s PHE 414 CO 0.25 -0.08 0.06 0.00 -0.10 0.00 0.00 175.22 175.35 2wct s ALA 415 N -0.49 1.76 0.46 5.36 0.00 -0.77 -0.55 121.76 127.53 2wct s ALA 415 Ca 0.06 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.23 2wct s ALA 415 Cb -0.11 0.80 0.07 0.00 0.00 0.00 0.00 23.12 23.88 2wct s ALA 415 CO 0.00 -0.37 0.54 -0.40 0.00 0.00 0.00 175.76 175.53 2wct n ASP 416 N -0.45 1.07 -0.18 0.00 5.68 -0.68 -2.16 116.55 119.83 2wct n ASP 416 Ca -0.02 -1.82 -0.03 0.00 -0.50 0.00 0.00 54.79 52.42 2wct n ASP 416 Cb 0.65 -0.32 0.07 0.00 -1.14 0.00 0.00 41.12 40.39 2wct n ASP 416 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 2wct h ILE 417 N -0.20 0.89 0.00 2.12 1.08 -1.86 -2.38 117.51 117.15 2wct h ILE 417 Ca -0.18 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 2wct h ILE 417 Cb 0.74 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 2wct h ILE 417 CO 0.22 0.08 -0.15 0.78 -0.69 0.00 0.00 178.15 178.40 2wct h ASN 418 N 0.45 0.00 0.00 1.72 2.35 -1.96 -1.35 115.58 116.80 2wct h ASN 418 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2wct h ASN 418 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2wct h ASN 418 CO -0.21 0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.33 2wct n GLY 419 N -1.08 0.94 3.71 2.83 0.00 -0.90 -4.66 105.19 106.02 2wct n GLY 419 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2wct n GLY 419 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wct s LYS 420 N -0.43 4.52 0.55 1.61 2.36 -1.26 -4.75 119.74 122.34 2wct s LYS 420 Ca 0.00 1.44 -0.19 0.00 -2.55 0.00 0.00 55.97 54.68 2wct s LYS 420 Cb 0.00 -3.47 -0.05 0.00 -1.05 0.00 0.00 37.83 33.26 2wct s LYS 420 CO 0.00 -0.12 1.11 -0.51 1.55 0.00 0.00 175.35 177.38 2wct s LEU 421 N 1.23 3.71 0.62 5.43 1.43 -1.26 -1.69 118.68 128.15 2wct s LEU 421 Ca 0.52 2.11 -0.17 0.00 -1.03 0.00 0.00 54.13 55.56 2wct s LEU 421 Cb -0.21 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.42 2wct s LEU 421 CO 0.26 -1.21 1.12 -0.31 0.23 0.00 0.00 176.35 176.44 2wct s TYR 422 N -1.89 2.61 0.18 0.29 1.51 0.28 -4.78 117.35 115.56 2wct s TYR 422 Ca 0.71 1.55 -0.15 0.00 -1.01 0.00 0.00 57.07 58.17 2wct s TYR 422 Cb -0.22 -3.23 0.16 0.00 -0.11 0.00 0.00 41.96 38.56 2wct s TYR 422 CO 0.28 -1.69 1.67 1.25 -1.11 0.00 0.00 175.55 175.95 2wct h HIS 423 N 0.43 -0.11 -0.76 2.71 2.76 -1.90 0.24 115.15 118.51 2wct h HIS 423 Ca -0.48 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.69 2wct h HIS 423 Cb 1.25 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 30.30 2wct h HIS 423 CO 0.53 -0.14 0.32 -0.44 -1.30 0.00 0.00 177.93 176.89 2wct h ASP 424 N 0.07 1.02 1.57 3.26 3.32 -1.93 -2.79 116.42 120.95 2wct h ASP 424 Ca 0.24 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2wct h ASP 424 Cb 0.36 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2wct h ASP 424 CO -0.43 0.90 -0.28 0.28 -1.72 0.00 0.00 179.24 177.99 2wct h SER 425 N 1.09 0.00 0.22 6.45 0.02 -1.71 -3.24 113.55 116.38 2wct h SER 425 Ca 0.26 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.03 2wct h SER 425 Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2wct h SER 425 CO -0.02 0.28 -0.69 -0.61 -1.14 0.00 0.00 176.83 174.64 2wct h GLN 426 N 0.00 0.42 0.00 3.45 5.75 -0.30 -3.17 115.11 121.27 2wct h GLN 426 Ca -0.00 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.11 2wct h GLN 426 Cb 1.14 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 2wct h GLN 426 CO 0.04 0.96 -0.28 -0.91 -2.65 0.00 0.00 178.83 175.99 2wct h ASN 427 N 0.30 0.00 0.83 -0.69 2.35 -1.53 -3.02 115.58 113.81 2wct h ASN 427 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2wct h ASN 427 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2wct h ASN 427 CO 0.12 0.28 0.00 0.24 -1.65 0.00 0.00 177.43 176.42 2wct h MET 428 N 0.00 0.00 -6.96 0.81 2.86 -1.58 -3.45 114.93 106.61 2wct h MET 428 Ca -0.00 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.15 2wct h MET 428 Cb 0.79 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.47 2wct h MET 428 CO 0.04 0.00 0.41 -0.51 1.06 0.00 0.00 176.91 177.91 2wct s LEU 429 N -5.71 4.15 -0.50 1.22 1.43 -1.14 -5.02 118.68 113.11 2wct s LEU 429 Ca 0.01 2.05 0.08 0.00 -1.03 0.00 0.00 54.13 55.24 2wct s LEU 429 Cb 0.09 -4.17 0.31 0.00 0.03 0.00 0.00 46.19 42.45 2wct s LEU 429 CO 0.48 -0.48 0.76 0.54 0.23 0.00 0.00 176.35 177.88 2wct n ARG 430 N -0.03 1.97 -3.54 1.70 5.12 -1.26 -4.93 116.66 115.68 2wct n ARG 430 Ca 0.05 -4.09 -0.22 0.00 -1.93 0.00 0.00 57.85 51.65 2wct n ARG 430 Cb 0.49 -1.90 0.08 0.00 -1.16 0.00 0.00 32.46 29.98 2wct n ARG 430 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wct n GLY 431 N 0.46 -0.48 3.91 -0.13 0.00 -1.26 -5.02 105.19 102.67 2wct n GLY 431 Ca 0.27 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 2wct n GLY 431 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wct s GLU 432 N -6.17 3.61 -0.50 1.61 8.01 -1.26 -5.02 118.70 118.98 2wct s GLU 432 Ca 0.51 0.07 -0.28 0.00 0.01 0.00 0.00 54.97 55.29 2wct s GLU 432 Cb -0.22 -2.54 -0.01 0.00 -4.31 0.00 0.00 34.13 27.05 2wct s GLU 432 CO 0.70 0.05 1.66 0.34 0.01 0.00 0.00 175.26 178.03 2wct s ASP 433 N -3.56 5.82 -0.45 -0.19 2.15 -1.26 -4.87 116.67 114.30 2wct s ASP 433 Ca 0.45 0.64 0.04 0.00 0.43 0.00 0.00 52.55 54.12 2wct s ASP 433 Cb -0.10 -2.53 0.65 0.00 -0.30 0.00 0.00 42.92 40.63 2wct s ASP 433 CO 0.35 -1.89 1.90 0.23 -0.17 0.00 0.00 175.17 175.60 2wct n MET 434 N 8.70 2.26 0.08 4.34 2.81 -1.26 -4.46 117.12 129.58 2wct n MET 434 Ca 0.18 -3.04 -0.03 0.00 -1.81 0.00 0.00 57.70 53.01 2wct n MET 434 Cb 0.49 -2.17 -0.06 0.00 -0.71 0.00 0.00 33.22 30.77 2wct n MET 434 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2wct h SER 435 N 1.06 0.00 0.32 7.83 0.02 -2.01 -3.33 113.55 117.44 2wct h SER 435 Ca 0.62 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.54 2wct h SER 435 Cb 2.70 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 65.24 2wct h SER 435 CO 1.10 0.76 -0.12 2.19 -1.14 0.00 0.00 176.83 179.62 2wct h PHE 436 N 0.00 0.00 0.00 3.45 -0.00 -2.01 -2.78 116.94 115.60 2wct h PHE 436 Ca -0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 57.97 57.73 2wct h PHE 436 Cb 1.63 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.56 2wct h PHE 436 CO 0.00 0.12 -0.86 1.25 -0.00 0.00 0.00 178.31 178.81 2wct h LEU 437 N 0.00 0.00 0.00 2.10 5.85 -1.92 -3.29 115.31 118.06 2wct h LEU 437 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wct h LEU 437 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2wct h LEU 437 CO 0.02 0.86 -0.72 1.21 -0.34 0.00 0.00 178.44 179.47 2wct n GLU 438 N -3.34 0.16 0.23 1.25 4.07 -1.10 -4.00 120.64 117.91 2wct n GLU 438 Ca 0.00 0.02 0.11 0.00 -0.06 0.00 0.00 57.16 57.24 2wct n GLU 438 Cb 0.88 -1.58 0.50 0.00 -0.06 0.00 0.00 31.44 31.18 2wct n GLU 438 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2wct h LYS 439 N 0.00 0.00 0.00 5.31 6.56 -1.56 -3.25 116.57 123.63 2wct h LYS 439 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2wct h LYS 439 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2wct h LYS 439 CO 0.00 0.18 -0.01 -0.25 -2.06 0.00 0.00 179.45 177.31 2wct n ASP 440 N -3.34 1.84 -4.78 0.86 8.00 -1.26 -5.06 116.55 112.81 2wct n ASP 440 Ca 0.00 -2.07 -0.36 0.00 0.71 0.00 0.00 54.79 53.07 2wct n ASP 440 Cb 0.40 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 2wct n ASP 440 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wct s ALA 441 N -1.17 2.95 0.53 2.24 0.00 -1.23 -4.52 121.76 120.57 2wct s ALA 441 Ca 0.05 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 2wct s ALA 441 Cb 0.04 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 2wct s ALA 441 CO 0.00 -0.47 0.97 -1.25 0.00 0.00 0.00 175.76 175.01 2wct s PRO 442 N -2.81 3.80 0.33 0.00 0.04 -1.26 -5.08 135.00 130.02 2wct s PRO 442 Ca 0.64 0.80 0.09 0.00 0.04 0.00 0.00 61.00 62.57 2wct s PRO 442 Cb -0.24 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 2wct s PRO 442 CO 0.29 -0.34 0.02 0.71 0.04 0.00 0.00 177.00 177.72 2wct s TYR 443 N -2.78 2.58 0.27 0.56 2.02 -0.51 -5.06 117.35 114.43 2wct s TYR 443 Ca 0.56 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.91 2wct s TYR 443 Cb -0.10 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 2wct s TYR 443 CO 0.39 0.49 0.41 -1.64 -1.57 0.00 0.00 175.55 173.63 2wct s MET 444 N -3.72 3.42 0.03 -0.62 -1.94 -1.26 -4.69 119.30 110.52 2wct s MET 444 Ca 0.34 -0.69 -0.30 0.00 -1.71 0.00 0.00 55.69 53.33 2wct s MET 444 Cb -0.02 -2.84 -0.07 0.00 2.01 0.00 0.00 34.83 33.92 2wct s MET 444 CO 0.20 0.34 1.60 0.08 -0.01 0.00 0.00 175.02 177.23 2wct s VAL 445 N -2.06 3.31 0.00 -6.03 1.01 -1.26 -2.39 120.40 112.98 2wct s VAL 445 Ca 0.36 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2wct s VAL 445 Cb -0.09 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2wct s VAL 445 CO 0.31 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2wct n GLY 446 N 3.94 0.79 3.69 4.51 0.00 -0.01 -5.02 105.19 113.10 2wct n GLY 446 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2wct n GLY 446 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wct s ASP 447 N -2.29 7.01 -0.23 1.61 1.11 -1.00 -4.82 116.67 118.06 2wct s ASP 447 Ca 0.00 1.88 -0.07 0.00 0.18 0.00 0.00 52.55 54.53 2wct s ASP 447 Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 2wct s ASP 447 CO 0.00 -0.61 0.06 -0.69 1.18 0.00 0.00 175.17 175.11 2wct s VAL 448 N 2.22 4.40 -0.13 -1.27 1.01 -1.26 -1.78 120.40 123.59 2wct s VAL 448 Ca 0.57 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2wct s VAL 448 Cb -0.26 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2wct s VAL 448 CO 0.23 0.38 -0.20 -0.63 0.00 0.00 0.00 175.10 174.88 2wct s ILE 449 N 1.23 2.32 -0.04 2.22 1.09 0.10 -4.98 121.20 123.15 2wct s ILE 449 Ca 0.05 -0.90 0.04 0.00 -1.10 0.00 0.00 60.65 58.74 2wct s ILE 449 Cb -0.14 -1.94 -0.00 0.00 -1.06 0.00 0.00 42.46 39.31 2wct s ILE 449 CO 0.03 0.54 -0.15 -0.89 -0.10 0.00 0.00 174.94 174.37 2wct s THR 450 N 0.67 1.30 -0.40 2.92 2.01 -1.26 0.26 115.64 121.14 2wct s THR 450 Ca -0.09 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2wct s THR 450 Cb -0.16 -1.12 0.16 0.00 0.01 0.00 0.00 72.50 71.39 2wct s THR 450 CO 0.02 0.38 0.29 -0.55 -0.69 0.00 0.00 174.62 174.06 2wct s SER 451 N 0.05 2.29 1.11 3.53 0.15 -0.39 -5.03 113.70 115.41 2wct s SER 451 Ca -0.03 -2.73 0.00 0.00 0.70 0.00 0.00 55.95 53.89 2wct s SER 451 Cb -0.11 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 2wct s SER 451 CO 0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2wct n GLY 452 N 3.32 1.90 0.09 9.45 0.00 -1.26 -3.16 105.19 115.52 2wct n GLY 452 Ca 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 2wct n GLY 452 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wct h ASP 453 N 0.00 0.00 -2.80 1.61 3.32 -1.97 -3.46 116.42 113.12 2wct h ASP 453 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2wct h ASP 453 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2wct h ASP 453 CO 0.00 0.81 1.00 -0.63 -1.72 0.00 0.00 179.24 178.70 2wct s ILE 454 N -2.76 3.95 -0.11 0.35 1.01 -1.19 -2.27 121.20 120.18 2wct s ILE 454 Ca -0.03 1.14 0.03 0.00 0.00 0.00 0.00 60.65 61.80 2wct s ILE 454 Cb 0.08 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.78 2wct s ILE 454 CO 0.81 -0.15 -0.22 -0.89 0.00 0.00 0.00 174.94 174.49 2wct s THR 455 N 3.97 1.95 -0.03 2.92 2.01 -0.46 -1.26 115.64 124.74 2wct s THR 455 Ca 0.63 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.76 2wct s THR 455 Cb -0.26 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 2wct s THR 455 CO 0.22 0.53 -0.21 0.00 -0.69 0.00 0.00 174.62 174.47 2wct s VAL 457 N -0.37 1.17 -0.36 0.00 0.11 -0.72 0.03 120.40 120.25 2wct s VAL 457 Ca 0.05 -0.54 -0.27 0.00 -2.93 0.00 0.00 61.98 58.28 2wct s VAL 457 Cb -0.10 -1.03 0.02 0.00 -1.53 0.00 0.00 36.38 33.74 2wct s VAL 457 CO 0.00 0.35 0.97 -0.69 -3.33 0.00 0.00 175.10 172.41 2wct s VAL 458 N 0.31 4.55 0.16 2.04 1.01 -0.73 -1.85 120.40 125.88 2wct s VAL 458 Ca -0.08 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.29 2wct s VAL 458 Cb -0.12 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2wct s VAL 458 CO 0.02 -0.53 0.23 0.27 0.00 0.00 0.00 175.10 175.09 2wct s ILE 459 N 3.55 4.98 0.55 2.22 -4.36 -0.92 -0.83 121.20 126.40 2wct s ILE 459 Ca 0.40 -0.85 -0.18 0.00 -0.26 0.00 0.00 60.65 59.76 2wct s ILE 459 Cb -0.12 -3.56 -0.06 0.00 1.25 0.00 0.00 42.46 39.97 2wct s ILE 459 CO 0.18 -0.10 1.05 -2.16 0.24 0.00 0.00 174.94 174.15 2wct s PRO 460 N -3.20 3.51 -0.27 0.37 0.04 -1.26 -4.78 135.00 129.41 2wct s PRO 460 Ca 0.33 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 2wct s PRO 460 Cb -0.11 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2wct s PRO 460 CO 0.26 -0.66 0.23 0.45 0.04 0.00 0.00 177.00 177.32 2wct s SER 461 N -2.39 6.09 0.23 6.66 0.15 -1.26 -4.89 113.70 118.29 2wct s SER 461 Ca 0.66 0.08 -0.05 0.00 0.70 0.00 0.00 55.95 57.34 2wct s SER 461 Cb -0.17 -2.14 0.22 0.00 -1.71 0.00 0.00 66.02 62.23 2wct s SER 461 CO 0.29 -0.06 1.70 0.50 1.20 0.00 0.00 173.24 176.87 2wct h LYS 462 N 8.19 0.87 0.00 5.44 3.64 -1.84 0.35 116.57 133.23 2wct h LYS 462 Ca -0.35 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 58.75 2wct h LYS 462 Cb 1.18 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2wct h LYS 462 CO 0.59 0.90 -0.03 1.57 -2.27 0.00 0.00 179.45 180.21 2wct h LYS 463 N 0.80 0.00 -0.47 1.90 2.10 -1.86 -1.01 116.57 118.02 2wct h LYS 463 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 2wct h LYS 463 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2wct h LYS 463 CO 0.03 0.03 0.00 0.00 -2.00 0.00 0.00 179.45 177.51 2wct n ALA 464 N -2.12 2.42 0.00 0.07 0.00 -0.91 -4.95 120.51 115.02 2wct n ALA 464 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2wct n ALA 464 Cb 0.25 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2wct n ALA 464 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wct n GLY 465 N 1.48 0.60 3.66 0.00 0.00 -0.38 -4.96 105.19 105.59 2wct n GLY 465 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2wct n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wct n GLY 466 N -1.26 0.28 3.90 -0.02 0.00 0.12 -4.92 105.19 103.29 2wct n GLY 466 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 2wct n GLY 466 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wct s THR 467 N -1.16 3.05 0.21 2.61 -4.23 -1.26 -4.33 115.64 110.54 2wct s THR 467 Ca 0.59 -1.28 -0.07 0.00 -1.18 0.00 0.00 61.69 59.75 2wct s THR 467 Cb -0.57 -3.08 0.13 0.00 1.34 0.00 0.00 72.50 70.33 2wct s THR 467 CO 0.60 -0.06 1.75 0.74 -0.54 0.00 0.00 174.62 177.10 2wct h THR 468 N 1.02 1.26 -0.48 3.99 2.02 -1.98 -2.25 112.91 116.49 2wct h THR 468 Ca -0.42 -0.92 -0.08 0.00 0.77 0.00 0.00 66.41 65.75 2wct h THR 468 Cb 1.26 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2wct h THR 468 CO 0.55 0.36 -0.04 -0.33 0.37 0.00 0.00 175.52 176.44 2wct h GLU 469 N 1.07 0.83 -0.54 6.66 3.07 -1.98 -1.68 114.58 122.01 2wct h GLU 469 Ca 0.23 -0.25 -0.11 0.00 -0.50 0.00 0.00 59.36 58.73 2wct h GLU 469 Cb 0.33 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 2wct h GLU 469 CO -0.00 0.86 -0.10 0.52 -1.40 0.00 0.00 179.01 178.88 2wct h MET 470 N 0.77 1.03 -0.16 2.33 2.86 -1.90 -1.76 114.93 118.09 2wct h MET 470 Ca 0.14 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 2wct h MET 470 Cb 0.52 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 2wct h MET 470 CO 0.03 1.07 -0.06 1.25 1.06 0.00 0.00 176.91 180.26 2wct h LEU 471 N 0.90 0.33 -1.61 1.22 5.85 -1.28 -2.51 115.31 118.22 2wct h LEU 471 Ca 0.14 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.49 2wct h LEU 471 Cb 0.67 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2wct h LEU 471 CO 0.05 0.65 0.29 -1.28 -0.34 0.00 0.00 178.44 177.80 2wct h SER 472 N 0.01 0.45 0.35 1.25 0.87 -1.27 -1.29 113.55 113.91 2wct h SER 472 Ca 0.04 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.40 2wct h SER 472 Cb 0.51 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2wct h SER 472 CO 0.02 0.32 -0.77 -0.09 -0.53 0.00 0.00 176.83 175.78 2wct h ARG 473 N 0.53 0.34 -0.02 2.24 2.43 -1.27 -2.56 114.38 116.06 2wct h ARG 473 Ca 0.17 -0.30 -0.15 0.00 -0.81 0.00 0.00 59.98 58.89 2wct h ARG 473 Cb 0.02 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2wct h ARG 473 CO -0.04 0.95 -0.68 0.00 -1.51 0.00 0.00 179.97 178.69 2wct h ALA 474 N 0.95 0.81 0.00 2.80 0.00 -0.94 -2.99 119.26 119.90 2wct h ALA 474 Ca -0.04 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 2wct h ALA 474 Cb 1.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2wct h ALA 474 CO 0.13 0.81 -0.51 -0.07 0.00 0.00 0.00 179.25 179.61 2wct h LEU 475 N 0.08 0.00 -0.17 0.00 4.07 -1.22 -2.86 115.31 115.21 2wct h LEU 475 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2wct h LEU 475 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2wct h LEU 475 CO 0.10 0.51 0.00 0.29 -1.08 0.00 0.00 178.44 178.26 2wct n LYS 476 N -3.77 0.09 0.04 1.13 5.02 -0.97 -2.59 118.16 117.11 2wct n LYS 476 Ca -0.01 0.23 0.13 0.00 -2.02 0.00 0.00 58.31 56.63 2wct n LYS 476 Cb 0.55 -1.64 0.37 0.00 -0.02 0.00 0.00 35.03 34.29 2wct n LYS 476 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wct n LYS 477 N -1.80 0.14 -2.66 1.97 5.02 -1.08 -4.82 118.16 114.92 2wct n LYS 477 Ca 0.04 0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 2wct n LYS 477 Cb 0.27 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 2wct n LYS 477 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wct s VAL 478 N -3.07 4.32 0.11 -0.18 1.01 -1.07 -4.89 120.40 116.63 2wct s VAL 478 Ca 0.11 1.93 -0.31 0.00 0.00 0.00 0.00 61.98 63.70 2wct s VAL 478 Cb 0.16 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 2wct s VAL 478 CO 0.63 0.30 1.49 -2.16 0.00 0.00 0.00 175.10 175.36 2wct s PRO 479 N -0.05 4.26 -0.33 2.72 0.04 -1.26 -4.90 135.00 135.49 2wct s PRO 479 Ca 0.48 2.20 -0.33 0.00 0.04 0.00 0.00 61.00 63.39 2wct s PRO 479 Cb -0.25 -3.30 -0.10 0.00 0.04 0.00 0.00 34.50 30.89 2wct s PRO 479 CO 0.31 -0.55 2.22 0.28 0.04 0.00 0.00 177.00 179.30 2wct n VAL 480 N 4.14 0.22 -3.31 -0.36 0.31 -1.26 -4.91 118.33 113.16 2wct n VAL 480 Ca 0.13 -0.33 -0.03 0.00 -0.01 0.00 0.00 64.34 64.10 2wct n VAL 480 Cb 0.41 -1.93 0.01 0.00 -0.91 0.00 0.00 33.84 31.42 2wct n VAL 480 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wct n ASP 481 N 10.64 -0.81 -4.69 4.52 -0.08 -1.26 -4.99 116.55 119.87 2wct n ASP 481 Ca 0.38 -1.55 -0.37 0.00 -1.51 0.00 0.00 54.79 51.74 2wct n ASP 481 Cb 0.30 1.35 -0.08 0.00 2.34 0.00 0.00 41.12 45.03 2wct n ASP 481 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2wct s GLU 482 N -2.03 4.19 0.04 -0.67 2.02 -1.26 -1.45 118.70 119.53 2wct s GLU 482 Ca 0.06 0.05 0.03 0.00 0.02 0.00 0.00 54.97 55.13 2wct s GLU 482 Cb -0.02 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 2wct s GLU 482 CO 0.04 0.10 -0.10 0.71 0.02 0.00 0.00 175.26 176.03 2wct s TYR 483 N 0.90 0.87 -0.26 1.61 2.02 -0.09 -4.57 117.35 117.82 2wct s TYR 483 Ca 0.15 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.35 2wct s TYR 483 Cb -0.14 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.87 2wct s TYR 483 CO 0.05 -0.02 0.14 0.42 -1.57 0.00 0.00 175.55 174.58 2wct s ILE 484 N -1.08 5.01 0.29 2.71 1.09 -0.70 -0.61 121.20 127.91 2wct s ILE 484 Ca -0.04 0.06 0.05 0.00 -1.10 0.00 0.00 60.65 59.62 2wct s ILE 484 Cb -0.08 -3.36 -0.02 0.00 -1.06 0.00 0.00 42.46 37.94 2wct s ILE 484 CO 0.01 0.30 0.29 1.07 -0.10 0.00 0.00 174.94 176.51 2wct n THR 485 N 4.83 0.00 -4.50 2.92 5.66 -0.37 -1.67 114.28 121.15 2wct n THR 485 Ca -0.15 -1.97 -0.30 0.00 -3.05 0.00 0.00 64.05 58.58 2wct n THR 485 Cb 0.52 1.03 -0.05 0.00 -1.55 0.00 0.00 70.33 70.28 2wct n THR 485 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2wct n THR 486 N -0.54 0.00 -2.89 1.09 -2.24 -1.26 -0.45 114.28 108.00 2wct n THR 486 Ca 0.05 -2.26 -0.41 0.00 -2.27 0.00 0.00 64.05 59.16 2wct n THR 486 Cb 0.52 0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 2wct n THR 486 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2wct s TYR 487 N -2.73 3.53 0.29 4.78 2.02 -1.26 -4.89 117.35 119.10 2wct s TYR 487 Ca 0.08 1.38 -0.29 0.00 -0.37 0.00 0.00 57.07 57.87 2wct s TYR 487 Cb -0.01 -2.98 -0.09 0.00 -0.40 0.00 0.00 41.96 38.48 2wct s TYR 487 CO 0.05 -0.08 1.08 -1.25 -1.57 0.00 0.00 175.55 173.79 2wct s PRO 488 N 1.44 4.58 -0.44 -1.71 0.04 -1.26 -4.45 135.00 133.21 2wct s PRO 488 Ca 0.42 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 2wct s PRO 488 Cb -0.18 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 2wct s PRO 488 CO 0.18 0.18 0.40 0.41 0.04 0.00 0.00 177.00 178.21 2wct n GLY 489 N 1.09 -0.48 3.38 0.56 0.00 -1.26 -4.73 105.19 103.75 2wct n GLY 489 Ca -0.00 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2wct n GLY 489 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wct s GLN 490 N -3.30 2.71 0.00 1.61 -1.52 -1.26 -1.35 119.66 116.55 2wct s GLN 490 Ca 0.10 -0.76 0.00 0.00 -1.95 0.00 0.00 55.36 52.75 2wct s GLN 490 Cb -0.01 -2.36 0.00 0.00 -0.22 0.00 0.00 33.01 30.41 2wct s GLN 490 CO 0.37 0.45 0.00 0.41 -0.25 0.00 0.00 175.29 176.27 2wct n GLY 491 N 2.79 0.00 3.59 3.09 0.00 -1.26 -4.77 105.19 108.64 2wct n GLY 491 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2wct n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wct n ALA 493 N 9.21 0.00 -1.17 0.00 0.00 -1.26 -4.71 120.51 122.58 2wct n ALA 493 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2wct n ALA 493 Cb 0.48 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2wct n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wct n GLY 494 N -1.38 -0.34 3.77 0.00 0.00 -1.17 -3.06 105.19 103.02 2wct n GLY 494 Ca 0.00 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 2wct n GLY 494 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wct s TYR 495 N 0.27 3.43 0.73 1.61 2.02 -0.45 -4.86 117.35 120.10 2wct s TYR 495 Ca 0.00 1.68 -0.11 0.00 -0.37 0.00 0.00 57.07 58.27 2wct s TYR 495 Cb 0.00 -3.17 0.03 0.00 -0.40 0.00 0.00 41.96 38.42 2wct s TYR 495 CO 0.00 -0.52 1.10 0.95 -1.57 0.00 0.00 175.55 175.51 2wct s THR 496 N -1.45 3.32 0.31 -0.71 -4.23 -1.26 -4.55 115.64 107.07 2wct s THR 496 Ca 0.52 0.43 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 2wct s THR 496 Cb -0.26 -3.37 0.18 0.00 1.34 0.00 0.00 72.50 70.39 2wct s THR 496 CO 0.33 -0.56 1.88 0.25 -0.54 0.00 0.00 174.62 175.97 2wct h LEU 497 N -0.77 0.67 -0.72 4.79 5.85 -1.92 -0.41 115.31 122.80 2wct h LEU 497 Ca -0.45 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.04 2wct h LEU 497 Cb 1.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2wct h LEU 497 CO 0.63 0.65 -0.33 -0.33 -0.34 0.00 0.00 178.44 178.72 2wct h GLU 498 N 0.71 0.61 -0.08 1.25 4.39 -1.93 -1.27 114.58 118.25 2wct h GLU 498 Ca 0.16 -0.28 -0.23 0.00 0.34 0.00 0.00 59.36 59.35 2wct h GLU 498 Cb 0.23 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2wct h GLU 498 CO -0.01 0.86 -0.85 0.93 -1.16 0.00 0.00 179.01 178.78 2wct h GLU 499 N 0.52 0.72 -0.56 2.33 5.08 -1.79 -3.01 114.58 117.86 2wct h GLU 499 Ca 0.06 -0.66 -0.10 0.00 -1.00 0.00 0.00 59.36 57.65 2wct h GLU 499 Cb 0.82 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2wct h GLU 499 CO 0.07 1.26 -0.04 0.00 -1.00 0.00 0.00 179.01 179.30 2wct h ALA 500 N 0.47 0.87 -0.43 3.43 0.00 -1.07 -2.52 119.26 120.02 2wct h ALA 500 Ca -0.08 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2wct h ALA 500 Cb 1.50 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2wct h ALA 500 CO 0.17 0.65 0.26 -0.22 0.00 0.00 0.00 179.25 180.11 2wct h LYS 501 N 0.91 0.50 -0.43 0.00 3.64 -1.28 -2.35 116.57 117.56 2wct h LYS 501 Ca 0.16 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 2wct h LYS 501 Cb 0.58 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2wct h LYS 501 CO 0.03 0.33 -0.14 1.15 -2.27 0.00 0.00 179.45 178.56 2wct h THR 502 N 0.52 1.26 -0.73 1.00 2.02 -1.46 -1.58 112.91 113.95 2wct h THR 502 Ca 0.17 -1.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 2wct h THR 502 Cb -0.00 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2wct h THR 502 CO -0.07 0.42 0.34 0.00 0.37 0.00 0.00 175.52 176.58 2wct h ALA 503 N 1.13 0.94 -0.21 6.16 0.00 -1.15 0.41 119.26 126.53 2wct h ALA 503 Ca 0.12 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2wct h ALA 503 Cb 0.63 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2wct h ALA 503 CO 0.04 0.51 -0.68 -0.07 0.00 0.00 0.00 179.25 179.05 2wct h LEU 504 N 1.02 0.97 -1.42 0.00 3.38 -1.36 -3.05 115.31 114.85 2wct h LEU 504 Ca 0.25 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 2wct h LEU 504 Cb 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2wct h LEU 504 CO -0.03 1.39 -0.29 0.11 0.09 0.00 0.00 178.44 179.71 2wct h LYS 505 N 0.60 0.00 0.00 1.13 1.57 -0.99 -0.08 116.57 118.80 2wct h LYS 505 Ca -0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2wct h LYS 505 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 2wct h LYS 505 CO 0.15 0.29 -0.56 -0.22 -0.57 0.00 0.00 179.45 178.54 2wct h LYS 506 N 0.00 0.00 -7.09 3.15 3.64 -0.91 -3.27 116.57 112.09 2wct h LYS 506 Ca -0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 2wct h LYS 506 Cb 0.52 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 32.42 2wct h LYS 506 CO 0.04 0.56 0.45 0.00 -2.27 0.00 0.00 179.45 178.23 2wct h LYS 508 N 1.12 0.00 -7.14 0.00 1.57 -1.90 -0.35 116.57 109.86 2wct h LYS 508 Ca -0.50 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.80 2wct h LYS 508 Cb 1.27 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.62 2wct h LYS 508 CO 0.56 0.16 0.38 -1.12 -0.57 0.00 0.00 179.45 178.86 2wct s SER 509 N -6.09 6.29 -0.07 0.86 0.01 -1.26 -4.67 113.70 108.76 2wct s SER 509 Ca 0.02 1.77 -0.13 0.00 1.31 0.00 0.00 55.95 58.92 2wct s SER 509 Cb 0.09 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2wct s SER 509 CO 0.63 -0.82 0.33 0.00 0.41 0.00 0.00 173.24 173.79 2wct s ALA 510 N -2.33 3.68 0.04 1.44 0.00 -0.53 -0.39 121.76 123.67 2wct s ALA 510 Ca 0.63 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.31 2wct s ALA 510 Cb -0.14 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 2wct s ALA 510 CO 0.28 0.36 -0.21 -0.06 0.00 0.00 0.00 175.76 176.13 2wct s PHE 511 N -0.52 1.85 -0.39 0.00 0.08 -0.55 -0.91 117.98 117.54 2wct s PHE 511 Ca 0.20 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.91 2wct s PHE 511 Cb -0.15 -1.11 0.11 0.00 -0.57 0.00 0.00 43.02 41.30 2wct s PHE 511 CO 0.09 0.08 0.12 0.71 -0.10 0.00 0.00 175.22 176.12 2wct s TYR 512 N -0.77 3.61 -0.23 0.36 2.02 0.22 -0.81 117.35 121.75 2wct s TYR 512 Ca 0.08 -3.00 -0.20 0.00 -0.37 0.00 0.00 57.07 53.58 2wct s TYR 512 Cb -0.09 -2.93 -0.02 0.00 -0.40 0.00 0.00 41.96 38.51 2wct s TYR 512 CO 0.02 -0.90 0.60 0.08 -1.57 0.00 0.00 175.55 173.77 2wct s VAL 513 N 0.61 5.02 0.18 0.71 1.01 -0.60 -1.24 120.40 126.10 2wct s VAL 513 Ca 0.12 1.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.95 2wct s VAL 513 Cb -0.21 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 2wct s VAL 513 CO -0.06 0.08 0.77 -0.76 0.00 0.00 0.00 175.10 175.13 2wct s LEU 514 N 2.20 4.54 0.67 3.92 1.43 0.41 -0.97 118.68 130.87 2wct s LEU 514 Ca 0.26 1.60 -0.14 0.00 -1.03 0.00 0.00 54.13 54.81 2wct s LEU 514 Cb -0.16 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.70 2wct s LEU 514 CO 0.09 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 175.78 2wct s PRO 515 N -1.33 2.79 0.00 1.29 0.04 -1.26 -4.34 135.00 132.18 2wct s PRO 515 Ca 0.37 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2wct s PRO 515 Cb -0.22 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2wct s PRO 515 CO 0.25 -1.25 0.00 0.45 0.04 0.00 0.00 177.00 176.49 2wct n SER 516 N -2.53 0.00 -3.96 6.66 2.88 -1.26 -4.99 113.62 110.43 2wct n SER 516 Ca 0.10 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.47 2wct n SER 516 Cb 0.52 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.84 2wct n SER 516 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2wct s GLU 524 N 0.00 0.50 0.35 -1.46 2.56 -1.26 -5.18 118.70 114.21 2wct s GLU 524 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.97 54.85 2wct s GLU 524 Cb 0.00 -0.49 0.77 0.00 2.00 0.00 0.00 34.13 36.41 2wct s GLU 524 CO 0.00 0.10 1.90 0.82 -0.56 0.00 0.00 175.26 177.52 2wct h ILE 525 N 5.15 0.92 -0.05 -3.70 2.04 -1.97 -2.16 117.51 117.74 2wct h ILE 525 Ca -0.30 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 2wct h ILE 525 Cb 1.18 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2wct h ILE 525 CO 0.50 0.14 -0.32 -0.07 0.00 0.00 0.00 178.15 178.39 2wct h LEU 526 N 0.74 0.10 0.00 1.44 3.38 -2.03 -3.08 115.31 115.86 2wct h LEU 526 Ca 0.39 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2wct h LEU 526 Cb 0.52 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2wct h LEU 526 CO -0.16 0.42 -0.10 0.61 0.09 0.00 0.00 178.44 179.30 2wct n GLY 527 N -0.51 -1.47 3.60 0.83 0.00 -0.81 -4.83 105.19 102.00 2wct n GLY 527 Ca -0.02 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2wct n GLY 527 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wct s THR 528 N -3.01 4.54 0.44 2.61 2.01 -1.17 -1.05 115.64 120.02 2wct s THR 528 Ca 0.13 1.18 0.06 0.00 0.31 0.00 0.00 61.69 63.37 2wct s THR 528 Cb 0.18 -4.37 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 2wct s THR 528 CO 0.57 -0.60 0.03 0.68 -0.69 0.00 0.00 174.62 174.61 2wct s VAL 529 N 3.58 1.82 -0.56 3.82 -7.23 0.02 -4.99 120.40 116.85 2wct s VAL 529 Ca 0.39 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 2wct s VAL 529 Cb -0.11 -2.78 0.23 0.00 0.56 0.00 0.00 36.38 34.28 2wct s VAL 529 CO 0.20 0.00 0.62 -0.24 -0.31 0.00 0.00 175.10 175.37 2wct n SER 530 N -1.08 2.37 -4.51 4.85 2.88 -1.26 -1.05 113.62 115.82 2wct n SER 530 Ca -0.08 -3.13 -0.31 0.00 -1.33 0.00 0.00 58.87 54.02 2wct n SER 530 Cb 0.67 -0.67 -0.12 0.00 -0.75 0.00 0.00 64.21 63.35 2wct n SER 530 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2wct s TRP 531 N -1.81 2.69 0.78 0.66 0.51 -1.24 -4.90 118.94 115.63 2wct s TRP 531 Ca 0.36 -0.17 -0.05 0.00 -2.12 0.00 0.00 56.10 54.12 2wct s TRP 531 Cb 0.12 -1.51 0.14 0.00 -0.81 0.00 0.00 33.47 31.41 2wct s TRP 531 CO -0.07 0.31 1.08 0.54 -0.51 0.00 0.00 176.95 178.30 2wct s ASN 532 N -1.50 4.04 0.22 2.95 2.20 -1.26 -4.65 114.94 116.94 2wct s ASN 532 Ca 0.16 -0.16 -0.07 0.00 -0.94 0.00 0.00 52.86 51.85 2wct s ASN 532 Cb -0.11 -0.14 0.28 0.00 -2.00 0.00 0.00 41.25 39.28 2wct s ASN 532 CO 0.07 -2.08 1.83 0.25 -2.94 0.00 0.00 177.10 174.23 2wct h LEU 533 N -0.83 0.70 -0.39 3.54 5.85 -2.01 -0.25 115.31 121.93 2wct h LEU 533 Ca -0.39 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.36 2wct h LEU 533 Cb 1.26 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2wct h LEU 533 CO 0.40 0.45 0.25 -0.09 -0.34 0.00 0.00 178.44 179.12 2wct h ARG 534 N 0.84 0.50 -0.37 1.25 2.43 -1.99 0.03 114.38 117.07 2wct h ARG 534 Ca 0.33 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2wct h ARG 534 Cb 0.16 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2wct h ARG 534 CO -0.17 0.33 0.14 0.93 -1.51 0.00 0.00 179.97 179.68 2wct h GLU 535 N 0.51 0.55 -0.54 0.20 5.08 -1.82 -2.75 114.58 115.82 2wct h GLU 535 Ca 0.15 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2wct h GLU 535 Cb -0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2wct h GLU 535 CO -0.04 0.55 0.03 0.52 -1.00 0.00 0.00 179.01 179.07 2wct h MET 536 N 0.44 0.90 -0.24 2.33 2.86 -0.81 -2.75 114.93 117.66 2wct h MET 536 Ca 0.12 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 2wct h MET 536 Cb 0.21 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2wct h MET 536 CO -0.01 0.88 -0.31 -0.07 1.06 0.00 0.00 176.91 178.47 2wct h LEU 537 N 0.84 0.51 -0.49 1.22 3.38 -0.92 -1.56 115.31 118.29 2wct h LEU 537 Ca 0.16 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2wct h LEU 537 Cb 0.46 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2wct h LEU 537 CO 0.02 0.79 -0.16 0.00 0.09 0.00 0.00 178.44 179.18 2wct h ALA 538 N 1.25 0.68 -0.61 1.53 0.00 -1.39 -1.72 119.26 119.00 2wct h ALA 538 Ca 0.05 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2wct h ALA 538 Cb 0.75 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2wct h ALA 538 CO 0.06 0.63 0.01 1.25 0.00 0.00 0.00 179.25 181.20 2wct h HIS 539 N 0.83 1.14 -0.32 0.00 -0.00 -1.34 -2.88 115.15 112.58 2wct h HIS 539 Ca 0.12 -0.19 -0.15 0.00 -0.00 0.00 0.00 60.37 60.14 2wct h HIS 539 Cb 0.73 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.83 2wct h HIS 539 CO 0.05 1.00 -0.42 0.00 -0.00 0.00 0.00 177.93 178.57 2wct h ALA 540 N 1.03 0.66 -0.03 5.26 0.00 -1.14 -1.59 119.26 123.44 2wct h ALA 540 Ca 0.17 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 2wct h ALA 540 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2wct h ALA 540 CO 0.03 0.67 -0.59 1.05 0.00 0.00 0.00 179.25 180.41 2wct h GLU 541 N 0.64 0.10 0.16 0.00 4.11 -1.29 -1.71 114.58 116.59 2wct h GLU 541 Ca 0.05 -0.07 -0.32 0.00 0.07 0.00 0.00 59.36 59.09 2wct h GLU 541 Cb 0.98 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.25 2wct h GLU 541 CO 0.09 0.66 -1.63 1.05 0.07 0.00 0.00 179.01 179.25 2wct h GLU 542 N 0.07 0.34 0.00 1.06 4.11 -1.53 -3.36 114.58 115.28 2wct h GLU 542 Ca -0.01 -0.59 0.00 0.00 0.07 0.00 0.00 59.36 58.84 2wct h GLU 542 Cb 1.07 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2wct h GLU 542 CO 0.08 1.28 -0.18 1.79 0.07 0.00 0.00 179.01 182.06 2wct h THR 543 N -0.04 0.00 -0.87 -1.06 1.35 -1.39 -3.47 112.91 107.43 2wct h THR 543 Ca -0.33 -0.55 -0.34 0.00 -0.55 0.00 0.00 66.41 64.63 2wct h THR 543 Cb 1.98 1.44 -0.13 0.00 -1.73 0.00 0.00 68.15 69.71 2wct h THR 543 CO 0.14 0.00 -0.32 -1.14 -0.25 0.00 0.00 175.52 173.95 2wct n ARG 544 N -2.33 -1.18 -1.43 4.72 3.00 -0.65 -4.99 116.66 113.80 2wct n ARG 544 Ca 0.05 1.08 -0.31 0.00 -0.00 0.00 0.00 57.85 58.67 2wct n ARG 544 Cb 0.45 -5.30 0.07 0.00 0.00 0.00 0.00 32.46 27.67 2wct n ARG 544 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wct s LYS 545 N -3.49 2.58 0.24 -0.14 1.02 -1.21 -4.85 119.74 113.90 2wct s LYS 545 Ca 0.00 1.03 -0.29 0.00 0.02 0.00 0.00 55.97 56.73 2wct s LYS 545 Cb 0.00 -1.94 -0.09 0.00 -0.52 0.00 0.00 37.83 35.28 2wct s LYS 545 CO 0.00 -1.38 0.93 -1.17 -0.92 0.00 0.00 175.35 172.82 2wct s LEU 546 N -5.73 4.61 -0.31 3.17 2.96 -0.61 -4.27 118.68 118.51 2wct s LEU 546 Ca 0.60 1.92 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 2wct s LEU 546 Cb -0.15 -3.64 0.08 0.00 0.50 0.00 0.00 46.19 42.98 2wct s LEU 546 CO 0.55 0.14 -0.01 -0.32 -1.32 0.00 0.00 176.35 175.39 2wct s MET 547 N -1.28 1.77 -0.14 1.98 -2.45 0.02 -1.82 119.30 117.39 2wct s MET 547 Ca 0.42 -1.64 -0.29 0.00 -1.25 0.00 0.00 55.69 52.92 2wct s MET 547 Cb -0.25 -3.05 -0.02 0.00 1.25 0.00 0.00 34.83 32.75 2wct s MET 547 CO 0.31 -0.79 1.32 -2.14 1.05 0.00 0.00 175.02 174.77 2wct s PRO 548 N 1.00 4.23 -0.05 4.11 0.02 -1.23 -0.51 135.00 142.58 2wct s PRO 548 Ca 0.03 1.75 0.02 0.00 0.02 0.00 0.00 61.00 62.82 2wct s PRO 548 Cb -0.19 -3.78 0.01 0.00 0.02 0.00 0.00 34.50 30.56 2wct s PRO 548 CO -0.07 -0.70 -0.09 0.42 -0.33 0.00 0.00 177.00 176.22 2wct s ILE 549 N 3.45 0.90 -0.26 2.83 -1.09 0.17 -4.57 121.20 122.62 2wct s ILE 549 Ca 0.58 -0.36 -0.29 0.00 -2.23 0.00 0.00 60.65 58.35 2wct s ILE 549 Cb -0.24 -0.84 0.00 0.00 -1.58 0.00 0.00 42.46 39.81 2wct s ILE 549 CO 0.18 0.30 1.19 0.00 -1.23 0.00 0.00 174.94 175.37 2wct h MET 551 N 8.39 0.00 -0.29 0.00 2.86 -1.04 -3.02 114.93 121.83 2wct h MET 551 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2wct h MET 551 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2wct h MET 551 CO 1.01 0.15 0.00 -0.25 1.06 0.00 0.00 176.91 178.88 2wct n ASP 552 N -4.13 0.94 -4.20 1.22 8.00 -1.26 -4.61 116.55 112.52 2wct n ASP 552 Ca -0.02 -2.03 -0.40 0.00 0.71 0.00 0.00 54.79 53.04 2wct n ASP 552 Cb 0.23 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.07 2wct n ASP 552 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wct s VAL 553 N -1.72 4.23 0.29 2.53 1.01 -1.14 -4.96 120.40 120.63 2wct s VAL 553 Ca 0.09 -2.14 0.01 0.00 0.00 0.00 0.00 61.98 59.94 2wct s VAL 553 Cb 0.05 -3.76 0.28 0.00 0.00 0.00 0.00 36.38 32.96 2wct s VAL 553 CO 0.05 -0.83 1.87 0.03 0.00 0.00 0.00 175.10 176.23 2wct h ARG 554 N 8.04 0.98 -0.65 2.72 2.47 -1.89 -1.68 114.38 124.38 2wct h ARG 554 Ca -0.12 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 2wct h ARG 554 Cb 1.04 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 29.11 2wct h ARG 554 CO 0.81 0.65 0.36 0.00 0.56 0.00 0.00 179.97 182.34 2wct h ALA 555 N 1.52 0.84 -0.20 0.04 0.00 -1.98 -1.85 119.26 117.63 2wct h ALA 555 Ca 0.45 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 2wct h ALA 555 Cb 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wct h ALA 555 CO -0.21 0.35 -0.42 0.82 0.00 0.00 0.00 179.25 179.80 2wct h ILE 556 N 0.89 1.32 -0.54 0.00 2.04 -1.85 -3.12 117.51 116.26 2wct h ILE 556 Ca 0.23 -1.65 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 2wct h ILE 556 Cb 0.04 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2wct h ILE 556 CO -0.04 0.51 0.32 0.24 0.00 0.00 0.00 178.15 179.18 2wct h MET 557 N 0.33 0.72 -0.35 2.37 2.86 -1.19 -1.75 114.93 117.93 2wct h MET 557 Ca 0.00 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2wct h MET 557 Cb 1.02 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2wct h MET 557 CO 0.09 0.51 0.01 0.00 1.06 0.00 0.00 176.91 178.59 2wct h ALA 558 N 1.61 0.47 -0.51 6.32 0.00 -1.37 -1.86 119.26 123.93 2wct h ALA 558 Ca 0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2wct h ALA 558 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2wct h ALA 558 CO -0.04 0.22 0.04 1.15 0.00 0.00 0.00 179.25 180.63 2wct h THR 559 N 0.42 1.24 -0.21 0.00 2.02 -1.39 -2.07 112.91 112.93 2wct h THR 559 Ca 0.10 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 2wct h THR 559 Cb 0.44 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2wct h THR 559 CO 0.02 0.34 -0.08 0.40 0.37 0.00 0.00 175.52 176.56 2wct h ILE 560 N 0.78 1.30 0.00 3.11 2.04 -1.25 -1.81 117.51 121.68 2wct h ILE 560 Ca 0.16 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2wct h ILE 560 Cb 0.41 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2wct h ILE 560 CO 0.01 0.34 -0.05 1.56 0.00 0.00 0.00 178.15 180.01 2wct h GLN 561 N 0.13 0.00 0.14 2.37 4.20 -1.23 0.24 115.11 120.96 2wct h GLN 561 Ca 0.05 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.43 2wct h GLN 561 Cb 0.56 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 2wct h GLN 561 CO 0.03 0.05 -1.69 0.00 -0.67 0.00 0.00 178.83 176.55 2wct h ARG 562 N 0.00 0.30 0.20 1.46 -0.00 -1.31 -3.21 114.38 111.83 2wct h ARG 562 Ca -0.00 -0.52 -0.34 0.00 -0.50 0.00 0.00 59.98 58.61 2wct h ARG 562 Cb 0.57 0.19 0.02 0.00 0.00 0.00 0.00 29.97 30.75 2wct h ARG 562 CO 0.01 1.19 -1.66 -0.22 0.00 0.00 0.00 179.97 179.28 2wct h LYS 563 N 0.08 0.42 -3.08 0.04 3.64 -1.26 -3.39 116.57 113.02 2wct h LYS 563 Ca -0.31 -0.72 -0.65 0.00 -1.27 0.00 0.00 60.65 57.70 2wct h LYS 563 Cb 2.06 0.27 -0.40 0.00 -0.41 0.00 0.00 32.23 33.75 2wct h LYS 563 CO 0.16 1.33 -0.41 0.66 -2.27 0.00 0.00 179.45 178.92 2wct n TYR 564 N -3.61 3.58 -2.38 1.91 4.01 0.82 -5.08 117.16 116.41 2wct n TYR 564 Ca -0.22 -4.23 -0.39 0.00 -0.16 0.00 0.00 57.90 52.91 2wct n TYR 564 Cb 1.08 -0.79 -0.03 0.00 -0.31 0.00 0.00 39.34 39.30 2wct n TYR 564 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2wct s LYS 565 N -1.55 4.27 0.00 -0.72 1.02 -1.21 -3.44 119.74 118.11 2wct s LYS 565 Ca 0.27 1.79 0.00 0.00 0.02 0.00 0.00 55.97 58.05 2wct s LYS 565 Cb -0.03 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 2wct s LYS 565 CO -0.14 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 2wct n GLY 566 N 0.75 0.69 3.76 -3.33 0.00 -1.26 -5.04 105.19 100.75 2wct n GLY 566 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2wct n GLY 566 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wct s ILE 567 N -2.22 3.49 -0.74 -0.61 2.07 -1.22 -5.00 121.20 116.96 2wct s ILE 567 Ca 0.00 1.50 -0.08 0.00 -1.41 0.00 0.00 60.65 60.66 2wct s ILE 567 Cb 0.00 -3.95 0.19 0.00 0.13 0.00 0.00 42.46 38.83 2wct s ILE 567 CO 0.00 0.36 0.62 -0.75 -1.91 0.00 0.00 174.94 173.26 2wct s LYS 568 N -1.43 3.13 -0.10 3.50 2.20 -1.26 -5.04 119.74 120.74 2wct s LYS 568 Ca 0.44 -2.54 -0.29 0.00 -0.36 0.00 0.00 55.97 53.22 2wct s LYS 568 Cb -0.32 -4.09 -0.05 0.00 -1.51 0.00 0.00 37.83 31.85 2wct s LYS 568 CO 0.41 -1.24 1.76 0.42 -0.36 0.00 0.00 175.35 176.35 2wct s ILE 569 N -0.03 3.44 0.06 5.43 1.01 -1.26 -4.97 121.20 124.88 2wct s ILE 569 Ca 0.18 0.52 -0.05 0.00 0.00 0.00 0.00 60.65 61.30 2wct s ILE 569 Cb -0.15 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 2wct s ILE 569 CO -0.06 -0.11 0.08 -1.58 0.00 0.00 0.00 174.94 173.27 2wct s GLN 570 N 4.52 0.69 0.23 2.79 0.74 -1.26 -5.14 119.66 122.23 2wct s GLN 570 Ca 0.79 -1.01 -0.30 0.00 0.05 0.00 0.00 55.36 54.88 2wct s GLN 570 Cb -0.33 0.26 -0.10 0.00 1.10 0.00 0.00 33.01 33.95 2wct s GLN 570 CO 0.32 -0.18 1.43 -2.00 -0.55 0.00 0.00 175.29 174.31 2wct s GLU 571 N -3.59 4.28 0.81 1.67 2.12 -1.26 -4.51 118.70 118.22 2wct s GLU 571 Ca 0.03 2.26 0.00 0.00 0.36 0.00 0.00 54.97 57.62 2wct s GLU 571 Cb 0.05 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.30 2wct s GLU 571 CO -0.09 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 2wct n GLY 572 N 2.43 -0.08 3.69 -1.50 0.00 -0.21 -4.90 105.19 104.61 2wct n GLY 572 Ca 0.07 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2wct n GLY 572 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wct s ILE 573 N 0.00 3.89 -0.31 -0.61 -1.09 -1.26 -1.02 121.20 120.80 2wct s ILE 573 Ca 0.00 1.24 -0.01 0.00 -2.23 0.00 0.00 60.65 59.65 2wct s ILE 573 Cb 0.00 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.18 2wct s ILE 573 CO 0.00 -0.01 0.10 -0.69 -1.23 0.00 0.00 174.94 173.11 2wct s VAL 574 N 2.46 0.74 -0.56 2.92 1.01 -0.15 -5.00 120.40 121.82 2wct s VAL 574 Ca 0.61 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 2wct s VAL 574 Cb -0.29 -1.57 0.07 0.00 0.00 0.00 0.00 36.38 34.59 2wct s VAL 574 CO 0.25 -0.68 0.73 -0.62 0.00 0.00 0.00 175.10 174.77 2wct s ASP 575 N 1.69 6.22 -0.40 3.32 -1.08 -1.26 -1.02 116.67 124.13 2wct s ASP 575 Ca 0.10 -1.02 0.06 0.00 -0.52 0.00 0.00 52.55 51.17 2wct s ASP 575 Cb -0.17 -2.33 0.17 0.00 -1.46 0.00 0.00 42.92 39.13 2wct s ASP 575 CO -0.27 -1.07 0.54 -0.47 0.52 0.00 0.00 175.17 174.42 2wct s TYR 576 N 2.99 -1.14 0.00 -5.34 6.14 -1.26 -4.94 117.35 113.80 2wct s TYR 576 Ca 0.17 -0.25 0.00 0.00 0.64 0.00 0.00 57.07 57.63 2wct s TYR 576 Cb -0.20 0.03 0.00 0.00 0.42 0.00 0.00 41.96 42.21 2wct s TYR 576 CO 0.11 -1.10 0.00 0.41 0.64 0.00 0.00 175.55 175.61 2wct n GLY 577 N 4.23 1.67 3.37 8.97 0.00 -1.26 -4.79 105.19 117.38 2wct n GLY 577 Ca 0.12 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2wct n GLY 577 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wct s VAL 578 N 0.00 2.47 -0.99 1.61 1.01 -1.26 -4.65 120.40 118.60 2wct s VAL 578 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.80 2wct s VAL 578 Cb 0.00 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.51 2wct s VAL 578 CO 0.00 0.58 1.45 -0.13 0.00 0.00 0.00 175.10 177.00 2wct s ARG 579 N -0.56 3.51 0.36 2.72 0.52 -1.26 -4.32 118.95 119.93 2wct s ARG 579 Ca 0.08 -0.99 -0.13 0.00 -0.52 0.00 0.00 55.73 54.16 2wct s ARG 579 Cb -0.11 -5.22 -0.08 0.00 0.52 0.00 0.00 34.95 30.06 2wct s ARG 579 CO 0.00 -2.24 0.75 -0.06 0.02 0.00 0.00 175.30 173.78 2wct s PHE 580 N 5.23 3.41 -0.36 -0.53 0.08 -0.19 -0.80 117.98 124.83 2wct s PHE 580 Ca 0.46 1.15 0.01 0.00 0.12 0.00 0.00 56.93 58.66 2wct s PHE 580 Cb -0.01 -2.50 0.11 0.00 -0.57 0.00 0.00 43.02 40.05 2wct s PHE 580 CO -0.07 0.00 0.13 0.12 -0.10 0.00 0.00 175.22 175.30 2wct s PHE 581 N -2.16 2.35 -0.29 0.36 5.36 0.33 -0.98 117.98 122.96 2wct s PHE 581 Ca 0.53 -2.29 -0.24 0.00 -0.96 0.00 0.00 56.93 53.96 2wct s PHE 581 Cb -0.10 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.47 2wct s PHE 581 CO 0.23 -0.86 0.84 -0.06 -1.46 0.00 0.00 175.22 173.91 2wct s PHE 582 N 1.03 3.23 0.25 10.12 0.08 -0.19 -0.66 117.98 131.84 2wct s PHE 582 Ca 0.12 0.97 0.11 0.00 0.12 0.00 0.00 56.93 58.26 2wct s PHE 582 Cb -0.20 -3.22 -0.05 0.00 -0.57 0.00 0.00 43.02 38.99 2wct s PHE 582 CO -0.13 -0.53 -0.19 1.52 -0.10 0.00 0.00 175.22 175.78 2wct s TYR 583 N 3.00 2.34 0.33 0.36 -0.85 -0.73 -1.05 117.35 120.75 2wct s TYR 583 Ca 0.35 -0.32 0.07 0.00 -0.52 0.00 0.00 57.07 56.65 2wct s TYR 583 Cb -0.14 -1.06 -0.03 0.00 0.38 0.00 0.00 41.96 41.11 2wct s TYR 583 CO 0.11 0.64 0.30 0.95 -1.52 0.00 0.00 175.55 176.03 2wct s THR 584 N -2.22 3.69 -1.53 -3.49 -4.23 -1.26 -0.35 115.64 106.26 2wct s THR 584 Ca 0.27 -1.33 0.30 0.00 -1.18 0.00 0.00 61.69 59.75 2wct s THR 584 Cb -0.06 -3.24 0.52 0.00 1.34 0.00 0.00 72.50 71.06 2wct s THR 584 CO 0.14 -0.19 2.00 -1.54 -0.54 0.00 0.00 174.62 174.49 2wct n SER 585 N -1.38 0.15 -0.01 3.99 3.41 -1.26 -3.17 113.62 115.34 2wct n SER 585 Ca -0.02 -0.33 -0.17 0.00 -0.26 0.00 0.00 58.87 58.09 2wct n SER 585 Cb 0.59 -0.20 -0.13 0.00 -0.26 0.00 0.00 64.21 64.21 2wct n SER 585 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2wct h LYS 586 N 0.18 0.17 -6.50 4.33 3.64 -1.94 -3.45 116.57 112.99 2wct h LYS 586 Ca 0.00 -0.26 -0.53 0.00 -1.27 0.00 0.00 60.65 58.59 2wct h LYS 586 Cb 0.29 0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2wct h LYS 586 CO 0.00 1.09 0.74 -2.00 -2.27 0.00 0.00 179.45 177.01 2wct s GLU 587 N -2.49 4.32 0.68 1.90 2.12 -1.19 -5.00 118.70 119.04 2wct s GLU 587 Ca -0.16 2.03 -0.17 0.00 0.36 0.00 0.00 54.97 57.03 2wct s GLU 587 Cb -0.01 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 31.05 2wct s GLU 587 CO 0.76 -0.46 1.25 -2.30 -0.54 0.00 0.00 175.26 173.97 2wct n PRO 588 N 4.32 0.91 -0.23 4.30 -0.02 -1.26 -4.82 135.00 138.20 2wct n PRO 588 Ca 0.12 0.37 -0.07 0.00 -2.02 0.00 0.00 63.50 61.90 2wct n PRO 588 Cb 0.43 -2.48 0.04 0.00 -0.02 0.00 0.00 33.50 31.46 2wct n PRO 588 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wct h VAL 589 N 0.23 1.24 0.00 -1.45 2.07 -1.94 -1.85 116.25 114.55 2wct h VAL 589 Ca -0.50 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 2wct h VAL 589 Cb 1.33 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2wct h VAL 589 CO 0.51 0.29 -0.20 0.00 0.02 0.00 0.00 177.57 178.20 2wct h ALA 590 N 1.10 1.30 -0.01 1.67 0.00 -1.93 -0.60 119.26 120.79 2wct h ALA 590 Ca 0.21 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 2wct h ALA 590 Cb 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wct h ALA 590 CO -0.02 0.25 -0.93 1.03 0.00 0.00 0.00 179.25 179.58 2wct h SER 591 N 0.00 0.61 -0.06 0.00 0.87 -1.78 -2.17 113.55 111.02 2wct h SER 591 Ca -0.00 -0.48 -0.03 0.00 -1.23 0.00 0.00 61.79 60.05 2wct h SER 591 Cb 0.47 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2wct h SER 591 CO 0.03 1.27 -0.08 0.40 -0.53 0.00 0.00 176.83 177.91 2wct h ILE 592 N 0.28 1.39 -0.98 2.23 2.04 -0.85 -2.56 117.51 119.06 2wct h ILE 592 Ca -0.08 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 64.53 2wct h ILE 592 Cb 1.56 2.12 -0.06 0.00 -0.74 0.00 0.00 36.82 39.70 2wct h ILE 592 CO 0.17 0.36 0.64 0.40 0.00 0.00 0.00 178.15 179.72 2wct h ILE 593 N -0.30 1.12 -0.73 -0.67 2.04 -1.20 -1.11 117.51 116.66 2wct h ILE 593 Ca 0.01 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 2wct h ILE 593 Cb 0.62 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2wct h ILE 593 CO 0.02 0.22 0.25 0.74 0.00 0.00 0.00 178.15 179.37 2wct h THR 594 N 1.19 1.26 -0.14 -0.27 2.02 -1.40 -1.08 112.91 114.48 2wct h THR 594 Ca 0.41 -0.87 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 2wct h THR 594 Cb 0.09 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2wct h THR 594 CO -0.14 0.34 -0.27 0.11 0.37 0.00 0.00 175.52 175.93 2wct h LYS 595 N 1.07 0.26 0.01 6.66 1.57 -0.91 -2.26 116.57 122.97 2wct h LYS 595 Ca 0.24 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.69 2wct h LYS 595 Cb 0.28 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2wct h LYS 595 CO -0.01 0.51 -1.23 -0.07 -0.57 0.00 0.00 179.45 178.08 2wct h LEU 596 N 0.23 0.05 -0.49 2.94 3.38 -0.88 -2.91 115.31 117.62 2wct h LEU 596 Ca 0.04 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2wct h LEU 596 Cb 0.60 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2wct h LEU 596 CO 0.04 1.05 -0.67 0.78 0.09 0.00 0.00 178.44 179.73 2wct h ASN 597 N 0.01 0.42 -0.45 -0.43 2.35 -1.16 -1.94 115.58 114.37 2wct h ASN 597 Ca -0.10 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.30 2wct h ASN 597 Cb 1.86 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 40.09 2wct h ASN 597 CO 0.12 0.97 -0.07 -1.28 -1.65 0.00 0.00 177.43 175.52 2wct h SER 598 N 0.25 0.84 0.56 5.81 0.87 -1.49 -3.01 113.55 117.39 2wct h SER 598 Ca -0.02 -0.34 -0.09 0.00 -1.23 0.00 0.00 61.79 60.11 2wct h SER 598 Cb 1.22 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2wct h SER 598 CO 0.11 0.99 -0.42 -0.07 -0.53 0.00 0.00 176.83 176.91 2wct h LEU 599 N 0.69 0.00 -3.00 2.23 4.07 -1.46 -3.48 115.31 114.36 2wct h LEU 599 Ca 0.12 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.60 2wct h LEU 599 Cb 0.60 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.25 2wct h LEU 599 CO 0.04 0.42 -0.77 -3.20 -1.08 0.00 0.00 178.44 173.85 2wct n ASN 600 N -3.84 -1.29 -4.80 -0.43 2.85 -0.73 -4.98 115.26 102.04 2wct n ASN 600 Ca -0.01 -1.01 -0.22 0.00 -0.11 0.00 0.00 54.58 53.23 2wct n ASN 600 Cb 0.48 -1.23 -0.05 0.00 1.24 0.00 0.00 39.78 40.22 2wct n ASN 600 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2wct s GLU 601 N -6.70 2.75 0.21 1.20 2.02 -1.26 -4.93 118.70 111.98 2wct s GLU 601 Ca 0.20 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.69 2wct s GLU 601 Cb -0.11 -2.46 -0.08 0.00 0.10 0.00 0.00 34.13 31.58 2wct s GLU 601 CO 0.77 0.29 1.00 -2.14 0.02 0.00 0.00 175.26 175.20 2wct s PRO 602 N -3.86 4.74 0.28 0.39 0.02 -1.26 -4.07 135.00 131.23 2wct s PRO 602 Ca 0.35 1.57 0.11 0.00 0.02 0.00 0.00 61.00 63.06 2wct s PRO 602 Cb -0.07 -3.29 -0.05 0.00 0.02 0.00 0.00 34.50 31.12 2wct s PRO 602 CO 0.24 0.32 -0.13 -0.51 -0.33 0.00 0.00 177.00 176.59 2wct s LEU 603 N -0.81 2.79 -0.26 -5.54 1.43 0.11 -1.57 118.68 114.82 2wct s LEU 603 Ca 0.44 -0.90 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2wct s LEU 603 Cb -0.27 -1.30 0.09 0.00 0.03 0.00 0.00 46.19 44.74 2wct s LEU 603 CO 0.34 0.03 0.14 0.54 0.23 0.00 0.00 176.35 177.62 2wct s VAL 604 N -2.45 -0.11 0.27 -1.59 0.11 -0.76 -0.62 120.40 115.26 2wct s VAL 604 Ca 0.30 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.79 2wct s VAL 604 Cb -0.05 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2wct s VAL 604 CO 0.17 -0.59 0.24 0.28 -3.33 0.00 0.00 175.10 171.86 2wct s THR 605 N 2.14 0.00 0.33 5.04 -1.32 -0.62 -3.46 115.64 117.74 2wct s THR 605 Ca 0.07 -1.94 0.07 0.00 -1.21 0.00 0.00 61.69 58.68 2wct s THR 605 Cb -0.16 -2.50 -0.02 0.00 -1.51 0.00 0.00 72.50 68.32 2wct s THR 605 CO -0.30 0.00 0.39 -0.04 -2.21 0.00 0.00 174.62 172.46 2wct s MET 606 N -3.76 2.96 -0.26 7.08 -1.94 -1.26 -0.56 119.30 121.55 2wct s MET 606 Ca 0.38 -1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 52.94 2wct s MET 606 Cb 0.04 -2.67 -0.06 0.00 2.01 0.00 0.00 34.83 34.15 2wct s MET 606 CO 0.19 0.09 2.24 -2.30 -0.01 0.00 0.00 175.02 175.22 2wct n PRO 607 N -1.52 1.76 -1.68 2.03 -0.02 -1.26 -4.84 135.00 129.47 2wct n PRO 607 Ca -0.01 0.46 -0.49 0.00 -2.02 0.00 0.00 63.50 61.44 2wct n PRO 607 Cb 0.59 -3.13 -0.05 0.00 -0.02 0.00 0.00 33.50 30.88 2wct n PRO 607 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wct n ILE 608 N 7.71 0.53 0.00 4.25 5.41 -1.26 -2.07 119.36 133.93 2wct n ILE 608 Ca 0.32 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.98 2wct n ILE 608 Cb 0.42 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 2wct n ILE 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wct n GLY 609 N 4.33 1.85 3.66 7.39 0.00 -1.26 -4.78 105.19 116.38 2wct n GLY 609 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2wct n GLY 609 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wct s TYR 610 N -2.44 1.57 0.00 1.61 5.04 -0.88 -1.42 117.35 120.84 2wct s TYR 610 Ca 0.00 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 2wct s TYR 610 Cb 0.00 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.20 2wct s TYR 610 CO 0.00 -4.85 0.00 0.28 -1.34 0.00 0.00 175.55 169.64 2wct n VAL 611 N 5.53 0.00 -0.33 3.14 0.31 -0.02 -4.54 118.33 122.42 2wct n VAL 611 Ca 0.19 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.66 2wct n VAL 611 Cb 0.42 0.00 0.37 0.00 -0.91 0.00 0.00 33.84 33.72 2wct n VAL 611 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2wct h THR 612 N 0.00 0.69 -0.22 2.52 1.35 -1.87 -2.09 112.91 113.29 2wct h THR 612 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2wct h THR 612 Cb 0.00 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.37 2wct h THR 612 CO 0.00 0.12 0.00 1.41 -0.25 0.00 0.00 175.52 176.80 2wct n HIS 613 N -4.70 0.28 -0.37 4.73 8.25 -0.51 -4.78 115.22 118.13 2wct n HIS 613 Ca 0.23 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2wct n HIS 613 Cb 0.61 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2wct n HIS 613 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wct n GLY 614 N 0.67 0.81 3.84 -1.41 0.00 -0.79 -5.03 105.19 103.29 2wct n GLY 614 Ca 0.10 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2wct n GLY 614 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wct s PHE 615 N -2.00 3.58 0.56 1.61 0.08 -1.15 -4.85 117.98 115.81 2wct s PHE 615 Ca 0.00 1.10 0.02 0.00 0.12 0.00 0.00 56.93 58.18 2wct s PHE 615 Cb 0.00 -2.41 0.05 0.00 -0.57 0.00 0.00 43.02 40.09 2wct s PHE 615 CO 0.00 0.38 0.78 0.54 -0.10 0.00 0.00 175.22 176.81 2wct s ASN 616 N -1.81 5.19 0.26 1.36 4.22 -1.26 -0.84 114.94 122.07 2wct s ASN 616 Ca 0.41 -0.17 -0.01 0.00 -2.14 0.00 0.00 52.86 50.94 2wct s ASN 616 Cb -0.15 -0.65 0.55 0.00 1.28 0.00 0.00 41.25 42.29 2wct s ASN 616 CO 0.20 -1.20 1.74 0.25 -2.04 0.00 0.00 177.10 176.05 2wct h LEU 617 N 0.08 0.44 0.09 3.54 5.85 -1.99 -1.69 115.31 121.62 2wct h LEU 617 Ca -0.40 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.44 2wct h LEU 617 Cb 1.29 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2wct h LEU 617 CO 0.49 0.16 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.51 2wct h GLU 618 N 0.55 -0.29 -0.76 1.25 4.81 -1.95 -1.86 114.58 116.33 2wct h GLU 618 Ca 0.47 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.66 2wct h GLU 618 Cb 0.72 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 2wct h GLU 618 CO -0.40 -0.19 0.25 0.93 -0.73 0.00 0.00 179.01 178.86 2wct h GLU 619 N -0.30 1.17 -0.08 1.92 5.08 -1.81 -2.82 114.58 117.73 2wct h GLU 619 Ca 0.02 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 2wct h GLU 619 Cb 0.32 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2wct h GLU 619 CO -0.09 0.99 -0.37 0.00 -1.00 0.00 0.00 179.01 178.54 2wct h ALA 620 N 1.13 1.22 -0.26 3.43 0.00 -1.24 -2.92 119.26 120.62 2wct h ALA 620 Ca 0.25 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2wct h ALA 620 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wct h ALA 620 CO -0.01 0.54 -0.30 0.00 0.00 0.00 0.00 179.25 179.48 2wct h ALA 621 N 1.47 0.99 -0.58 0.00 0.00 -1.10 -1.92 119.26 118.13 2wct h ALA 621 Ca 0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2wct h ALA 621 Cb 0.73 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2wct h ALA 621 CO 0.06 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.87 2wct h ARG 622 N 0.47 1.04 -0.01 0.00 3.08 -1.32 -2.88 114.38 114.76 2wct h ARG 622 Ca 0.06 -0.34 -0.14 0.00 0.07 0.00 0.00 59.98 59.63 2wct h ARG 622 Cb 0.75 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2wct h ARG 622 CO 0.06 1.03 -0.64 0.00 -1.07 0.00 0.00 179.97 179.36 2wct h MET 624 N 0.03 0.00 -0.64 0.00 2.86 -1.14 -2.83 114.93 113.21 2wct h MET 624 Ca -0.01 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2wct h MET 624 Cb 1.13 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 2wct h MET 624 CO 0.09 0.06 0.42 0.00 1.06 0.00 0.00 176.91 178.54 2wct h ARG 625 N 0.00 0.72 0.00 1.72 3.08 -1.47 -1.39 114.38 117.04 2wct h ARG 625 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wct h ARG 625 Cb 0.49 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2wct h ARG 625 CO 0.01 0.48 0.00 0.43 -1.07 0.00 0.00 179.97 179.81 2wct n SER 626 N -4.46 0.00 -4.59 7.04 7.64 -1.07 -4.72 113.62 113.45 2wct n SER 626 Ca 0.08 -0.51 -0.43 0.00 1.01 0.00 0.00 58.87 59.02 2wct n SER 626 Cb 0.15 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.18 2wct n SER 626 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2wct s LEU 627 N -2.27 3.97 -0.05 -3.43 2.96 -0.53 -4.89 118.68 114.45 2wct s LEU 627 Ca 0.34 0.44 0.17 0.00 -0.22 0.00 0.00 54.13 54.85 2wct s LEU 627 Cb 0.19 -3.27 -0.21 0.00 0.50 0.00 0.00 46.19 43.39 2wct s LEU 627 CO 0.36 -0.95 0.53 0.54 -1.32 0.00 0.00 176.35 175.51 2wct n ARG 628 N 6.99 0.65 -2.16 1.98 1.74 -1.26 -4.92 116.66 119.67 2wct n ARG 628 Ca 0.07 0.13 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 2wct n ARG 628 Cb 0.48 -1.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 2wct n ARG 628 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wct s ALA 629 N -2.78 3.59 -0.00 7.54 0.00 -1.26 -4.92 121.76 123.92 2wct s ALA 629 Ca -0.06 1.13 -0.37 0.00 0.00 0.00 0.00 51.96 52.67 2wct s ALA 629 Cb 0.08 -3.53 -0.16 0.00 0.00 0.00 0.00 23.12 19.51 2wct s ALA 629 CO 0.83 -0.61 1.53 -0.35 0.00 0.00 0.00 175.76 177.15 2wct n PRO 630 N 3.73 1.42 -3.92 0.00 -0.04 -1.26 -4.80 135.00 130.13 2wct n PRO 630 Ca 0.11 0.51 -0.10 0.00 -0.04 0.00 0.00 63.50 63.98 2wct n PRO 630 Cb 0.42 -2.21 -0.10 0.00 -0.04 0.00 0.00 33.50 31.58 2wct n PRO 630 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wct s ALA 631 N 1.62 -0.12 -0.37 0.55 0.00 -1.26 0.07 121.76 122.24 2wct s ALA 631 Ca 0.88 -0.39 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 2wct s ALA 631 Cb -0.91 0.16 0.06 0.00 0.00 0.00 0.00 23.12 22.43 2wct s ALA 631 CO 0.50 -0.23 0.16 0.08 0.00 0.00 0.00 175.76 176.27 2wct s VAL 632 N -1.81 3.90 -0.25 0.00 1.01 0.21 -4.68 120.40 118.78 2wct s VAL 632 Ca -0.12 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 2wct s VAL 632 Cb -0.06 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2wct s VAL 632 CO -0.01 -0.33 0.48 -0.69 0.00 0.00 0.00 175.10 174.55 2wct s VAL 633 N 1.39 5.11 -0.20 2.92 1.01 -0.21 -1.59 120.40 128.82 2wct s VAL 633 Ca 0.01 0.81 -0.08 0.00 0.00 0.00 0.00 61.98 62.72 2wct s VAL 633 Cb -0.21 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2wct s VAL 633 CO 0.02 0.12 0.08 -0.55 0.00 0.00 0.00 175.10 174.78 2wct s SER 634 N 1.48 5.67 0.29 3.32 0.15 0.28 -0.80 113.70 124.10 2wct s SER 634 Ca 0.20 0.06 0.09 0.00 0.70 0.00 0.00 55.95 57.00 2wct s SER 634 Cb -0.16 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 2wct s SER 634 CO 0.09 0.14 0.08 0.68 1.20 0.00 0.00 173.24 175.42 2wct s VAL 635 N 0.61 3.38 0.00 4.45 -7.23 -0.21 -4.15 120.40 117.25 2wct s VAL 635 Ca 0.04 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2wct s VAL 635 Cb -0.13 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.85 2wct s VAL 635 CO 0.01 -0.29 0.43 -1.20 -0.31 0.00 0.00 175.10 173.73 2wct n SER 636 N -1.03 0.00 -4.92 4.85 7.64 -1.26 -3.66 113.62 115.24 2wct n SER 636 Ca -0.05 0.43 -0.26 0.00 1.01 0.00 0.00 58.87 60.00 2wct n SER 636 Cb 0.60 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.81 2wct n SER 636 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wct s SER 637 N -2.22 6.02 0.37 6.43 1.04 -1.26 -4.61 113.70 119.47 2wct s SER 637 Ca 0.00 0.67 0.27 0.00 0.48 0.00 0.00 55.95 57.38 2wct s SER 637 Cb 0.00 -1.94 1.06 0.00 0.10 0.00 0.00 66.02 65.24 2wct s SER 637 CO 0.00 -0.68 1.81 -0.65 0.98 0.00 0.00 173.24 174.70 2wct h PRO 638 N 0.24 0.00 0.00 4.02 0.11 -1.90 -2.53 132.00 131.94 2wct h PRO 638 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 2wct h PRO 638 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2wct h PRO 638 CO 0.60 0.00 -0.27 -0.44 -0.21 0.00 0.00 178.00 177.69 2wct h ASP 639 N 0.00 0.00 1.59 -2.05 3.32 -1.99 -3.17 116.42 114.12 2wct h ASP 639 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2wct h ASP 639 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2wct h ASP 639 CO 0.00 0.27 -0.41 0.00 -1.72 0.00 0.00 179.24 177.38 2wct h ALA 640 N 1.73 0.77 0.06 3.45 0.00 -1.84 -3.34 119.26 120.08 2wct h ALA 640 Ca -0.00 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2wct h ALA 640 Cb 1.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2wct h ALA 640 CO 0.03 0.41 -0.30 0.28 0.00 0.00 0.00 179.25 179.68 2wct h VAL 641 N 0.00 0.35 -0.20 0.00 2.07 -1.57 0.13 116.25 117.02 2wct h VAL 641 Ca -0.01 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 2wct h VAL 641 Cb 1.25 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2wct h VAL 641 CO 0.04 0.00 -0.14 0.71 0.02 0.00 0.00 177.57 178.20 2wct h THR 642 N -0.48 1.20 0.14 2.57 1.35 -1.75 -1.49 112.91 114.46 2wct h THR 642 Ca 0.05 -0.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.99 2wct h THR 642 Cb 0.54 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2wct h THR 642 CO -0.22 0.29 -0.07 0.74 -0.25 0.00 0.00 175.52 176.01 2wct h THR 643 N 0.31 1.01 -0.94 6.82 2.02 -1.57 -1.32 112.91 119.23 2wct h THR 643 Ca 0.06 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.51 2wct h THR 643 Cb 0.44 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 2wct h THR 643 CO 0.03 0.17 0.62 0.22 0.37 0.00 0.00 175.52 176.93 2wct h TYR 644 N -0.55 1.17 0.00 3.16 3.20 -0.67 -0.82 116.97 122.47 2wct h TYR 644 Ca -0.02 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 2wct h TYR 644 Cb 0.43 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2wct h TYR 644 CO 0.04 0.72 -0.32 -0.91 -1.64 0.00 0.00 178.16 176.05 2wct h ASN 645 N 1.25 0.00 -0.09 -2.11 2.35 -1.24 -1.49 115.58 114.26 2wct h ASN 645 Ca 0.35 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.01 2wct h ASN 645 Cb -0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2wct h ASN 645 CO -0.08 0.32 -0.32 1.23 -1.65 0.00 0.00 177.43 176.93 2wct h GLY 646 N 1.44 0.41 2.00 2.83 0.00 0.01 -2.14 103.07 107.61 2wct h GLY 646 Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 2wct h GLY 646 CO 0.04 0.48 -0.35 -0.97 0.00 0.00 0.00 176.54 175.74 2wct h TYR 647 N -0.09 0.00 0.07 5.60 0.05 -1.09 -2.37 116.97 119.13 2wct h TYR 647 Ca -0.01 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.55 2wct h TYR 647 Cb 0.95 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.71 2wct h TYR 647 CO 0.12 0.35 -0.88 1.25 -1.05 0.00 0.00 178.16 177.95 2wct h LEU 648 N 0.00 0.66 -0.10 3.88 5.85 -1.29 -3.38 115.31 120.93 2wct h LEU 648 Ca -0.00 -0.82 -0.12 0.00 0.84 0.00 0.00 57.88 57.77 2wct h LEU 648 Cb 0.73 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2wct h LEU 648 CO 0.05 1.41 -0.41 0.00 -0.34 0.00 0.00 178.44 179.14 2wct h THR 649 N -0.00 1.38 -2.88 1.05 1.03 -1.36 -3.47 112.91 108.66 2wct h THR 649 Ca -0.13 -1.75 -0.31 0.00 -0.01 0.00 0.00 66.41 64.21 2wct h THR 649 Cb 1.60 2.19 0.16 0.00 -1.07 0.00 0.00 68.15 71.03 2wct h THR 649 CO 0.17 0.52 0.04 -1.20 -0.01 0.00 0.00 175.52 175.04 2wct n SER 650 N -4.31 -2.26 -4.75 0.00 7.64 -0.90 -5.03 113.62 104.00 2wct n SER 650 Ca -0.08 -0.96 -0.31 0.00 1.01 0.00 0.00 58.87 58.54 2wct n SER 650 Cb 0.55 -0.79 0.10 0.00 -1.01 0.00 0.00 64.21 63.06 2wct n SER 650 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wct s SER 651 N -3.63 4.22 0.00 6.43 1.04 -1.26 -5.00 113.70 115.50 2wct s SER 651 Ca 0.55 1.77 0.29 0.00 0.48 0.00 0.00 55.95 59.05 2wct s SER 651 Cb -0.06 -2.45 1.75 0.00 0.10 0.00 0.00 66.02 65.35 2wct s SER 651 CO 0.43 -2.21 2.08 -0.24 0.98 0.00 0.00 173.24 174.29