#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3faw s VAL 383 N 0.00 4.36 -0.02 5.09 1.01 -1.26 -4.51 120.40 125.08 3faw s VAL 383 Ca 0.00 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.53 3faw s VAL 383 Cb 0.00 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.08 3faw s VAL 383 CO 0.00 -0.47 0.04 -1.10 0.00 0.00 0.00 175.10 173.57 3faw s GLN 384 N 3.84 0.04 0.14 2.72 -0.21 -1.26 -5.01 119.66 119.92 3faw s GLN 384 Ca 0.50 0.08 -0.30 0.00 0.02 0.00 0.00 55.36 55.66 3faw s GLN 384 Cb -0.14 -0.02 -0.07 0.00 1.00 0.00 0.00 33.01 33.77 3faw s GLN 384 CO 0.18 -0.03 1.23 -1.17 -2.12 0.00 0.00 175.29 173.38 3faw s LEU 385 N 0.20 4.42 -0.16 2.90 2.96 -1.26 -1.32 118.68 126.41 3faw s LEU 385 Ca -0.02 2.20 -0.11 0.00 -0.22 0.00 0.00 54.13 55.98 3faw s LEU 385 Cb -0.02 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 43.00 3faw s LEU 385 CO -0.01 -0.44 -0.25 0.29 -1.32 0.00 0.00 176.35 174.62 3faw n LYS 386 N 3.09 0.40 -3.77 1.98 5.02 0.60 -4.92 118.16 120.56 3faw n LYS 386 Ca 0.07 0.17 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 3faw n LYS 386 Cb 0.45 -1.18 0.03 0.00 -0.02 0.00 0.00 35.03 34.31 3faw n LYS 386 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3faw n ASP 387 N -3.97 -2.30 -3.57 4.39 5.68 -1.17 -4.97 116.55 110.65 3faw n ASP 387 Ca -0.30 -2.58 -0.17 0.00 -0.50 0.00 0.00 54.79 51.25 3faw n ASP 387 Cb 0.65 3.82 -0.07 0.00 -1.14 0.00 0.00 41.12 44.38 3faw n ASP 387 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3faw s ALA 388 N -2.08 -1.66 -0.00 2.12 0.00 -1.26 -0.65 121.76 118.23 3faw s ALA 388 Ca 0.16 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.51 3faw s ALA 388 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3faw s ALA 388 CO 0.12 -0.35 -0.06 -0.65 0.00 0.00 0.00 175.76 174.82 3faw s GLN 389 N -0.82 0.49 -0.22 0.00 1.11 0.07 -1.93 119.66 118.37 3faw s GLN 389 Ca -0.09 -0.25 -0.19 0.00 0.01 0.00 0.00 55.36 54.85 3faw s GLN 389 Cb -0.02 -0.47 -0.03 0.00 -1.01 0.00 0.00 33.01 31.49 3faw s GLN 389 CO 0.07 0.13 0.54 -1.14 0.01 0.00 0.00 175.29 174.89 3faw s GLN 390 N -0.23 4.16 -0.04 2.91 0.74 -0.32 -0.61 119.66 126.27 3faw s GLN 390 Ca 0.02 0.42 0.14 0.00 0.05 0.00 0.00 55.36 55.99 3faw s GLN 390 Cb -0.03 -3.59 -0.21 0.00 1.10 0.00 0.00 33.01 30.28 3faw s GLN 390 CO -0.00 -0.22 0.27 0.25 -0.55 0.00 0.00 175.29 175.04 3faw n THR 391 N 4.73 0.16 -3.39 -0.34 -2.24 -0.90 -2.58 114.28 109.72 3faw n THR 391 Ca -0.04 -0.37 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 3faw n THR 391 Cb 0.50 0.03 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 3faw n THR 391 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3faw n ASP 392 N -2.09 -0.85 0.01 3.42 5.68 -1.21 -4.35 116.55 117.15 3faw n ASP 392 Ca -0.06 -1.66 0.05 0.00 -0.50 0.00 0.00 54.79 52.62 3faw n ASP 392 Cb 0.47 1.44 0.44 0.00 -1.14 0.00 0.00 41.12 42.34 3faw n ASP 392 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3faw h LEU 393 N 0.00 0.44 -2.98 -2.12 3.38 -1.96 -3.13 115.31 108.94 3faw h LEU 393 Ca -0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3faw h LEU 393 Cb 0.49 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3faw h LEU 393 CO 0.17 0.31 -0.30 0.35 0.09 0.00 0.00 178.44 179.06 3faw n THR 394 N -4.48 1.95 -3.73 0.22 -2.24 -1.26 -2.00 114.28 102.75 3faw n THR 394 Ca 0.03 -2.68 -0.12 0.00 -2.27 0.00 0.00 64.05 59.01 3faw n THR 394 Cb 0.09 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.01 3faw n THR 394 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3faw s SER 395 N -2.99 -0.36 -0.07 3.42 0.15 -1.18 -2.89 113.70 109.77 3faw s SER 395 Ca 0.34 0.66 0.01 0.00 0.70 0.00 0.00 55.95 57.67 3faw s SER 395 Cb 0.32 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 65.23 3faw s SER 395 CO -0.03 -0.16 -0.08 -0.63 1.20 0.00 0.00 173.24 173.54 3faw s ILE 396 N 1.04 0.92 -0.23 6.45 1.01 -0.15 -2.11 121.20 128.14 3faw s ILE 396 Ca -0.07 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 3faw s ILE 396 Cb -0.08 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 3faw s ILE 396 CO -0.08 0.32 0.25 0.00 0.00 0.00 0.00 174.94 175.43 3faw s GLN 397 N 1.07 4.10 -0.18 2.79 -2.07 0.22 -0.03 119.66 125.57 3faw s GLN 397 Ca -0.07 -0.10 -0.02 0.00 -1.82 0.00 0.00 55.36 53.34 3faw s GLN 397 Cb -0.14 -3.54 -0.01 0.00 -1.09 0.00 0.00 33.01 28.22 3faw s GLN 397 CO -0.01 0.01 -0.08 0.00 -1.32 0.00 0.00 175.29 173.90 3faw s ALA 398 N 1.18 2.77 -0.02 2.60 0.00 0.07 -0.75 121.76 127.60 3faw s ALA 398 Ca 0.12 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.88 3faw s ALA 398 Cb -0.14 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 3faw s ALA 398 CO 0.06 -0.09 0.50 0.45 0.00 0.00 0.00 175.76 176.68 3faw s SER 399 N 0.91 6.86 0.31 0.00 0.15 0.18 -0.35 113.70 121.76 3faw s SER 399 Ca -0.01 1.02 0.11 0.00 0.70 0.00 0.00 55.95 57.77 3faw s SER 399 Cb -0.15 -2.31 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 3faw s SER 399 CO 0.00 0.17 -0.15 -0.36 1.20 0.00 0.00 173.24 174.11 3faw s PHE 400 N -0.39 2.36 0.15 3.44 0.08 0.18 -0.29 117.98 123.52 3faw s PHE 400 Ca 0.27 -0.40 -0.17 0.00 0.12 0.00 0.00 56.93 56.76 3faw s PHE 400 Cb -0.17 -1.17 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 3faw s PHE 400 CO 0.14 0.66 1.79 1.79 -0.10 0.00 0.00 175.22 179.50 3faw h THR 401 N 2.14 1.03 -2.25 0.64 1.35 -1.47 -3.45 112.91 110.90 3faw h THR 401 Ca -0.41 -0.14 0.01 0.00 -0.55 0.00 0.00 66.41 65.32 3faw h THR 401 Cb 1.26 0.57 -0.17 0.00 -1.73 0.00 0.00 68.15 68.08 3faw h THR 401 CO 0.64 0.08 0.32 0.28 -0.25 0.00 0.00 175.52 176.59 3faw s THR 402 N -6.16 0.00 -0.84 6.82 -1.32 -1.26 -4.97 115.64 107.91 3faw s THR 402 Ca -0.13 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.43 3faw s THR 402 Cb 0.11 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.27 3faw s THR 402 CO 0.72 0.00 1.04 0.18 -2.21 0.00 0.00 174.62 174.35 3faw n LEU 403 N 0.30 2.35 -4.27 9.08 4.77 -1.26 -4.56 117.00 123.41 3faw n LEU 403 Ca -0.15 -1.64 -0.44 0.00 -0.03 0.00 0.00 56.01 53.75 3faw n LEU 403 Cb 0.60 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3faw n LEU 403 CO 0.17 0.56 0.44 1.51 -1.33 0.00 0.00 177.39 178.74 3faw s ASP 404 N -0.90 6.58 -0.05 -1.43 1.47 -1.26 -4.99 116.67 116.09 3faw s ASP 404 Ca 0.15 -3.03 0.00 0.00 1.18 0.00 0.00 52.55 50.85 3faw s ASP 404 Cb 0.08 -2.13 -0.03 0.00 -0.34 0.00 0.00 42.92 40.51 3faw s ASP 404 CO 0.12 -0.43 -0.05 1.17 0.68 0.00 0.00 175.17 176.65 3faw n LYS 408 N 3.43 0.13 -0.09 2.11 4.81 -1.26 -4.94 118.16 122.35 3faw n LYS 408 Ca 0.16 0.03 -0.11 0.00 -0.87 0.00 0.00 58.31 57.53 3faw n LYS 408 Cb 0.43 -1.06 -0.03 0.00 0.02 0.00 0.00 35.03 34.39 3faw n LYS 408 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3faw h THR 409 N -0.02 1.22 0.00 3.15 2.02 -2.02 -2.74 112.91 114.52 3faw h THR 409 Ca -0.12 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.35 3faw h THR 409 Cb 1.17 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3faw h THR 409 CO -0.02 0.23 0.00 -0.33 0.37 0.00 0.00 175.52 175.77 3faw h GLU 410 N 0.27 0.00 0.02 6.66 5.08 -2.07 -2.62 114.58 121.93 3faw h GLU 410 Ca 0.08 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.12 3faw h GLU 410 Cb 0.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3faw h GLU 410 CO 0.00 0.00 -1.94 1.51 -1.00 0.00 0.00 179.01 177.58 3faw n ILE 411 N -2.85 1.59 1.53 3.13 3.06 -1.20 -3.93 119.36 120.70 3faw n ILE 411 Ca 0.01 -0.77 0.15 0.00 -2.50 0.00 0.00 62.75 59.64 3faw n ILE 411 Cb 0.28 -1.08 0.72 0.00 0.54 0.00 0.00 39.64 40.11 3faw n ILE 411 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3faw n LEU 412 N -3.08 0.27 0.00 9.51 4.77 -1.04 -0.89 117.00 126.54 3faw n LEU 412 Ca -0.25 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3faw n LEU 412 Cb 1.07 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 3faw n LEU 412 CO 0.43 0.05 0.29 0.29 -1.33 0.00 0.00 177.39 177.12 3faw n LYS 413 N -1.02 0.00 0.06 3.23 5.02 -1.00 -4.69 118.16 119.76 3faw n LYS 413 Ca 0.16 0.58 -0.07 0.00 -2.02 0.00 0.00 58.31 56.97 3faw n LYS 413 Cb 0.24 -1.05 -0.12 0.00 -0.02 0.00 0.00 35.03 34.08 3faw n LYS 413 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3faw h GLU 414 N 0.00 0.00 -6.47 1.97 4.57 -1.27 -3.45 114.58 109.93 3faw h GLU 414 Ca 0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 3faw h GLU 414 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 3faw h GLU 414 CO 0.00 0.95 0.67 -1.17 -1.18 0.00 0.00 179.01 178.28 3faw s LEU 415 N -6.66 4.35 0.01 1.64 2.96 -0.07 -4.60 118.68 116.32 3faw s LEU 415 Ca 0.01 2.12 0.01 0.00 -0.22 0.00 0.00 54.13 56.05 3faw s LEU 415 Cb 0.10 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 3faw s LEU 415 CO 0.82 -0.58 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.68 3faw s LYS 416 N 1.39 0.34 -0.06 1.98 1.02 -0.97 -4.90 119.74 118.54 3faw s LYS 416 Ca 0.61 -0.34 0.05 0.00 0.02 0.00 0.00 55.97 56.32 3faw s LYS 416 Cb -0.32 -0.22 -0.00 0.00 -0.52 0.00 0.00 37.83 36.76 3faw s LYS 416 CO 0.29 0.05 -0.22 0.08 -0.92 0.00 0.00 175.35 174.63 3faw s VAL 417 N -0.57 1.85 0.16 3.17 1.01 -1.26 -1.36 120.40 123.41 3faw s VAL 417 Ca -0.04 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3faw s VAL 417 Cb -0.04 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 3faw s VAL 417 CO -0.00 0.52 -0.09 0.42 0.00 0.00 0.00 175.10 175.95 3faw s THR 418 N 0.05 1.18 0.30 3.92 -4.23 -0.44 -0.79 115.64 115.64 3faw s THR 418 Ca -0.08 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.36 3faw s THR 418 Cb -0.14 -1.93 0.06 0.00 1.34 0.00 0.00 72.50 71.83 3faw s THR 418 CO 0.05 -0.68 0.41 -0.90 -0.54 0.00 0.00 174.62 172.96 3faw n ASP 419 N -0.24 0.47 0.28 3.99 5.68 -0.30 -0.46 116.55 125.97 3faw n ASP 419 Ca -0.09 -1.41 0.16 0.00 -0.50 0.00 0.00 54.79 52.94 3faw n ASP 419 Cb 0.61 -0.28 0.90 0.00 -1.14 0.00 0.00 41.12 41.22 3faw n ASP 419 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3faw h LYS 420 N 0.00 0.00 -0.57 0.11 2.10 -1.30 -1.28 116.57 115.63 3faw h LYS 420 Ca -0.14 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.43 3faw h LYS 420 Cb 0.48 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.76 3faw h LYS 420 CO 0.14 0.00 0.10 0.09 -2.00 0.00 0.00 179.45 177.78 3faw n ASN 421 N -3.81 4.95 -0.27 7.07 3.02 -1.26 -4.94 115.26 120.01 3faw n ASN 421 Ca -0.02 -3.10 -0.04 0.00 -0.03 0.00 0.00 54.58 51.40 3faw n ASN 421 Cb 0.14 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.62 3faw n ASN 421 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3faw n GLN 422 N 0.05 -0.96 -3.10 3.52 6.02 -0.48 -5.00 117.38 117.43 3faw n GLN 422 Ca 0.32 0.46 -0.39 0.00 -0.01 0.00 0.00 57.00 57.38 3faw n GLN 422 Cb 1.21 -4.30 -0.06 0.00 1.02 0.00 0.00 30.24 28.11 3faw n GLN 422 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3faw s ASN 423 N -2.28 7.23 0.26 1.08 0.02 -1.26 -4.75 114.94 115.24 3faw s ASN 423 Ca 0.00 1.46 -0.30 0.00 -1.02 0.00 0.00 52.86 53.00 3faw s ASN 423 Cb 0.00 -2.44 -0.10 0.00 0.02 0.00 0.00 41.25 38.73 3faw s ASN 423 CO 0.00 0.21 1.38 0.00 0.02 0.00 0.00 177.10 178.71 3faw s ALA 424 N -0.97 3.57 -0.09 0.60 0.00 -1.26 -1.15 121.76 122.47 3faw s ALA 424 Ca 0.33 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.57 3faw s ALA 424 Cb -0.21 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 3faw s ALA 424 CO 0.23 -0.68 -0.11 0.42 0.00 0.00 0.00 175.76 175.62 3faw s ILE 425 N -0.29 3.31 -0.01 0.00 -1.09 0.03 -4.89 121.20 118.26 3faw s ILE 425 Ca 0.56 -0.60 -0.30 0.00 -2.23 0.00 0.00 60.65 58.07 3faw s ILE 425 Cb -0.40 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.08 3faw s ILE 425 CO 0.45 0.56 1.17 -1.58 -1.23 0.00 0.00 174.94 174.31 3faw s GLN 426 N -0.29 4.41 -0.34 2.79 0.74 -1.26 -4.46 119.66 121.25 3faw s GLN 426 Ca 0.03 1.67 -0.25 0.00 0.05 0.00 0.00 55.36 56.86 3faw s GLN 426 Cb -0.13 -3.47 0.01 0.00 1.10 0.00 0.00 33.01 30.53 3faw s GLN 426 CO 0.03 -0.32 0.86 0.42 -0.55 0.00 0.00 175.29 175.72 3faw s ILE 427 N 1.63 4.69 0.07 -2.34 1.01 -1.26 -4.44 121.20 120.54 3faw s ILE 427 Ca 0.56 1.17 -0.17 0.00 0.00 0.00 0.00 60.65 62.21 3faw s ILE 427 Cb -0.26 -4.25 -0.13 0.00 0.01 0.00 0.00 42.46 37.83 3faw s ILE 427 CO 0.25 -0.41 1.34 0.28 0.00 0.00 0.00 174.94 176.40 3faw h SER 428 N 8.31 0.63 -5.06 3.58 0.02 -0.95 -3.48 113.55 116.60 3faw h SER 428 Ca -0.24 -0.54 0.15 0.00 -0.84 0.00 0.00 61.79 60.33 3faw h SER 428 Cb 1.09 -0.18 -0.11 0.00 0.14 0.00 0.00 62.40 63.34 3faw h SER 428 CO 0.94 1.04 0.49 -0.62 -1.14 0.00 0.00 176.83 177.53 3faw s ASP 429 N -6.51 -0.26 0.09 3.07 2.15 -1.20 -5.02 116.67 109.01 3faw s ASP 429 Ca -0.13 -0.24 0.04 0.00 0.43 0.00 0.00 52.55 52.65 3faw s ASP 429 Cb 0.07 0.45 -0.03 0.00 -0.30 0.00 0.00 42.92 43.10 3faw s ASP 429 CO 0.81 -0.79 -0.10 0.27 -0.17 0.00 0.00 175.17 175.19 3faw s ILE 430 N -3.22 0.90 -0.05 4.11 -4.36 -1.26 -0.70 121.20 116.61 3faw s ILE 430 Ca 0.09 -1.58 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 3faw s ILE 430 Cb -0.01 -1.29 0.01 0.00 1.25 0.00 0.00 42.46 42.42 3faw s ILE 430 CO -0.02 -0.54 -0.10 -0.89 0.24 0.00 0.00 174.94 173.63 3faw s THR 431 N -2.33 0.91 -0.23 8.37 2.01 -0.19 -4.99 115.64 119.19 3faw s THR 431 Ca 0.04 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.53 3faw s THR 431 Cb -0.04 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 3faw s THR 431 CO -0.00 0.30 0.36 -0.76 -0.69 0.00 0.00 174.62 173.83 3faw s LEU 432 N 0.64 4.10 -0.62 4.42 1.02 -1.26 -0.92 118.68 126.07 3faw s LEU 432 Ca -0.12 0.38 -0.09 0.00 0.02 0.00 0.00 54.13 54.32 3faw s LEU 432 Cb -0.14 -2.43 0.16 0.00 0.02 0.00 0.00 46.19 43.80 3faw s LEU 432 CO 0.02 -0.10 0.50 -0.62 0.02 0.00 0.00 176.35 176.17 3faw s ASP 433 N 1.28 5.91 0.39 2.29 -1.08 -0.32 -4.95 116.67 120.19 3faw s ASP 433 Ca 0.16 -2.39 0.19 0.00 -0.52 0.00 0.00 52.55 49.99 3faw s ASP 433 Cb -0.15 -2.04 0.76 0.00 -1.46 0.00 0.00 42.92 40.03 3faw s ASP 433 CO 0.08 -0.58 1.78 0.71 0.52 0.00 0.00 175.17 177.68 3faw h THR 434 N 5.50 0.90 -0.08 1.71 1.35 -1.95 0.16 112.91 120.50 3faw h THR 434 Ca -0.07 -1.40 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 3faw h THR 434 Cb 1.03 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3faw h THR 434 CO 0.80 0.34 0.01 -1.28 -0.25 0.00 0.00 175.52 175.15 3faw h SER 435 N 0.00 0.12 0.12 5.36 0.87 -1.95 -3.16 113.55 114.91 3faw h SER 435 Ca -0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3faw h SER 435 Cb 0.81 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 3faw h SER 435 CO 0.05 0.34 -0.17 0.29 -0.53 0.00 0.00 176.83 176.81 3faw n LYS 436 N -4.89 1.21 -3.96 2.24 5.02 -1.18 -4.95 118.16 111.65 3faw n LYS 436 Ca -0.06 -0.75 -0.31 0.00 -2.02 0.00 0.00 58.31 55.17 3faw n LYS 436 Cb 0.16 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 3faw n LYS 436 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3faw n SER 437 N -0.24 -4.46 -4.35 4.39 7.64 -0.02 -4.82 113.62 111.76 3faw n SER 437 Ca 0.14 -0.82 -0.29 0.00 1.01 0.00 0.00 58.87 58.91 3faw n SER 437 Cb 0.37 -3.70 -0.14 0.00 -1.01 0.00 0.00 64.21 59.73 3faw n SER 437 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3faw s LEU 438 N -7.27 2.21 -0.21 -3.43 0.05 -0.82 -0.64 118.68 108.57 3faw s LEU 438 Ca 0.66 -0.63 -0.03 0.00 0.05 0.00 0.00 54.13 54.18 3faw s LEU 438 Cb -0.33 -1.24 -0.01 0.00 -2.05 0.00 0.00 46.19 42.56 3faw s LEU 438 CO 0.85 0.23 -0.07 -0.22 -0.55 0.00 0.00 176.35 176.59 3faw s LEU 439 N -1.46 2.81 -0.26 1.48 2.96 0.53 -1.17 118.68 123.57 3faw s LEU 439 Ca 0.12 -0.41 -0.19 0.00 -0.22 0.00 0.00 54.13 53.43 3faw s LEU 439 Cb -0.10 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 3faw s LEU 439 CO 0.03 0.00 0.57 -0.63 -1.32 0.00 0.00 176.35 175.00 3faw s ILE 440 N 1.34 5.03 -0.19 6.68 1.09 -0.10 -0.76 121.20 134.30 3faw s ILE 440 Ca 0.04 0.99 -0.05 0.00 -1.10 0.00 0.00 60.65 60.53 3faw s ILE 440 Cb -0.14 -3.88 -0.02 0.00 -1.06 0.00 0.00 42.46 37.36 3faw s ILE 440 CO -0.03 0.05 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.21 3faw s ILE 441 N 2.40 3.88 0.01 2.92 1.01 0.95 -1.02 121.20 131.37 3faw s ILE 441 Ca 0.23 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3faw s ILE 441 Cb -0.16 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 3faw s ILE 441 CO 0.09 0.44 0.00 -0.54 0.00 0.00 0.00 174.94 174.94 3faw s LYS 442 N 0.88 2.76 0.00 2.79 1.02 0.12 -0.98 119.74 126.32 3faw s LYS 442 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.35 3faw s LYS 442 Cb -0.14 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 3faw s LYS 442 CO 0.02 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 175.47 3faw n GLY 443 N 1.26 -1.60 3.35 -3.33 0.00 -1.14 -0.18 105.19 103.54 3faw n GLY 443 Ca -0.14 -1.11 -0.45 0.00 0.00 0.00 0.00 46.02 44.32 3faw n GLY 443 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3faw s ASP 444 N -2.78 6.21 -0.89 1.61 -1.08 -1.26 -4.23 116.67 114.25 3faw s ASP 444 Ca 0.00 -1.62 -0.01 0.00 -0.52 0.00 0.00 52.55 50.40 3faw s ASP 444 Cb 0.00 -2.26 0.23 0.00 -1.46 0.00 0.00 42.92 39.43 3faw s ASP 444 CO 0.00 -1.00 0.85 0.49 0.52 0.00 0.00 175.17 176.03 3faw n PHE 445 N 5.84 3.95 -1.82 -5.34 3.72 -0.85 -4.97 117.46 118.00 3faw n PHE 445 Ca -0.10 -3.99 -0.42 0.00 -0.05 0.00 0.00 57.45 52.88 3faw n PHE 445 Cb 0.42 -1.07 -0.03 0.00 -0.94 0.00 0.00 39.48 37.86 3faw n PHE 445 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3faw s ASN 446 N -0.62 6.26 0.62 4.37 3.84 -1.26 -4.73 114.94 123.42 3faw s ASN 446 Ca 0.29 2.18 0.41 0.00 0.21 0.00 0.00 52.86 55.96 3faw s ASN 446 Cb -0.03 -2.53 2.14 0.00 -0.55 0.00 0.00 41.25 40.29 3faw s ASN 446 CO -0.09 -1.27 2.25 1.55 -2.79 0.00 0.00 177.10 176.75 3faw h PRO 447 N 11.37 0.00 0.00 0.43 0.13 -1.96 -0.65 132.00 141.32 3faw h PRO 447 Ca -0.42 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.66 3faw h PRO 447 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3faw h PRO 447 CO 0.96 0.00 -0.23 0.87 -0.23 0.00 0.00 178.00 179.37 3faw h LYS 448 N 0.00 0.00 -0.15 0.86 1.57 -2.03 -2.18 116.57 114.63 3faw h LYS 448 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3faw h LYS 448 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3faw h LYS 448 CO 0.00 0.23 0.00 1.04 -0.57 0.00 0.00 179.45 180.15 3faw n GLN 449 N -3.49 2.15 -2.19 3.15 1.13 -0.27 -4.97 117.38 112.89 3faw n GLN 449 Ca -0.00 -1.69 -0.27 0.00 -1.94 0.00 0.00 57.00 53.09 3faw n GLN 449 Cb 0.39 -1.47 0.13 0.00 0.11 0.00 0.00 30.24 29.41 3faw n GLN 449 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3faw s GLY 450 N -1.78 1.75 0.65 1.08 0.00 -0.82 -1.67 107.32 106.52 3faw s GLY 450 Ca 0.34 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 3faw s GLY 450 CO 0.30 -0.67 1.04 0.30 0.00 0.00 0.00 173.10 174.08 3faw s HIS 451 N -3.51 3.35 0.10 1.90 3.76 -1.26 -4.64 115.29 114.99 3faw s HIS 451 Ca 0.68 1.37 -0.07 0.00 -0.15 0.00 0.00 55.06 56.89 3faw s HIS 451 Cb -0.06 -2.81 -0.06 0.00 1.11 0.00 0.00 32.58 30.76 3faw s HIS 451 CO 0.48 -0.96 0.38 -0.06 -0.85 0.00 0.00 174.74 173.74 3faw s PHE 452 N -3.06 3.53 -0.27 1.40 0.08 -1.26 -3.28 117.98 115.11 3faw s PHE 452 Ca 0.57 0.68 -0.11 0.00 0.12 0.00 0.00 56.93 58.19 3faw s PHE 452 Cb -0.13 -2.08 -0.05 0.00 -0.57 0.00 0.00 43.02 40.19 3faw s PHE 452 CO 0.53 0.49 0.19 1.21 -0.10 0.00 0.00 175.22 177.54 3faw s ASN 453 N -2.04 6.04 -0.17 1.36 2.47 0.39 -0.70 114.94 122.29 3faw s ASN 453 Ca 0.36 0.02 -0.08 0.00 0.42 0.00 0.00 52.86 53.58 3faw s ASN 453 Cb -0.13 -2.12 -0.04 0.00 -1.45 0.00 0.00 41.25 37.50 3faw s ASN 453 CO 0.20 -0.04 0.11 -0.63 -3.72 0.00 0.00 177.10 173.02 3faw s ILE 454 N 1.69 5.21 0.03 -5.21 -1.09 -0.11 -1.32 121.20 120.40 3faw s ILE 454 Ca 0.07 0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.64 3faw s ILE 454 Cb -0.16 -3.34 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 3faw s ILE 454 CO 0.10 0.49 -0.10 -0.94 -1.23 0.00 0.00 174.94 173.26 3faw s SER 455 N 0.02 1.20 -0.30 3.58 1.04 -0.46 -1.27 113.70 117.51 3faw s SER 455 Ca 0.08 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 56.02 3faw s SER 455 Cb -0.12 -0.05 0.16 0.00 0.10 0.00 0.00 66.02 66.11 3faw s SER 455 CO -0.00 -0.04 0.71 -0.47 0.98 0.00 0.00 173.24 174.42 3faw s TYR 456 N -0.88 -1.30 -1.45 5.02 5.04 -0.73 -2.29 117.35 120.75 3faw s TYR 456 Ca -0.02 1.78 -0.10 0.00 -2.44 0.00 0.00 57.07 56.29 3faw s TYR 456 Cb -0.07 0.61 0.06 0.00 0.35 0.00 0.00 41.96 42.90 3faw s TYR 456 CO 0.01 -0.68 0.76 0.09 -1.34 0.00 0.00 175.55 174.38 3faw n ASN 457 N 5.39 -4.91 0.00 4.32 4.13 -1.26 -2.20 115.26 120.73 3faw n ASN 457 Ca -0.07 -0.53 0.00 0.00 1.68 0.00 0.00 54.58 55.67 3faw n ASN 457 Cb 0.51 -3.96 0.00 0.00 -1.54 0.00 0.00 39.78 34.79 3faw n ASN 457 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3faw n GLY 458 N -1.51 3.13 3.70 7.41 0.00 -1.26 -5.04 105.19 111.61 3faw n GLY 458 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3faw n GLY 458 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3faw s ASN 459 N 0.26 7.15 -0.12 1.61 -0.87 -0.93 -5.04 114.94 116.98 3faw s ASN 459 Ca 0.00 1.80 0.02 0.00 -1.57 0.00 0.00 52.86 53.12 3faw s ASN 459 Cb 0.00 -2.57 0.01 0.00 -0.02 0.00 0.00 41.25 38.68 3faw s ASN 459 CO 0.00 -0.47 -0.19 0.20 -2.57 0.00 0.00 177.10 174.07 3faw s ASN 460 N 1.22 2.81 0.04 -1.22 -0.87 -1.26 -1.78 114.94 113.88 3faw s ASN 460 Ca 0.55 -0.52 0.06 0.00 -1.57 0.00 0.00 52.86 51.38 3faw s ASN 460 Cb -0.24 -1.28 -0.02 0.00 -0.02 0.00 0.00 41.25 39.68 3faw s ASN 460 CO 0.25 0.05 -0.18 0.68 -2.57 0.00 0.00 177.10 175.33 3faw s VAL 461 N 0.87 1.41 -0.04 1.60 -7.23 -0.40 -4.99 120.40 111.62 3faw s VAL 461 Ca -0.07 -1.12 -0.14 0.00 -1.81 0.00 0.00 61.98 58.84 3faw s VAL 461 Cb -0.15 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 3faw s VAL 461 CO -0.01 0.10 0.37 -0.89 -0.31 0.00 0.00 175.10 174.36 3faw s THR 462 N -0.84 5.13 0.35 5.32 2.01 -1.26 -0.93 115.64 125.42 3faw s THR 462 Ca 0.05 0.74 -0.27 0.00 0.31 0.00 0.00 61.69 62.51 3faw s THR 462 Cb -0.08 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 3faw s THR 462 CO 0.02 0.54 1.18 0.42 -0.69 0.00 0.00 174.62 176.09 3faw s THR 463 N -0.77 3.17 -0.05 -0.82 -4.23 0.12 -4.60 115.64 108.46 3faw s THR 463 Ca 0.22 1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 61.81 3faw s THR 463 Cb -0.16 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 3faw s THR 463 CO 0.11 0.19 0.02 -0.60 -0.54 0.00 0.00 174.62 173.80 3faw s ARG 464 N -1.92 2.95 -0.12 3.99 3.52 -0.81 -4.67 118.95 121.89 3faw s ARG 464 Ca 0.51 -0.47 -0.28 0.00 -0.13 0.00 0.00 55.73 55.37 3faw s ARG 464 Cb -0.33 -2.78 -0.02 0.00 -1.56 0.00 0.00 34.95 30.26 3faw s ARG 464 CO 0.42 0.68 0.93 -0.65 -0.81 0.00 0.00 175.30 175.87 3faw s GLN 465 N -1.20 4.39 0.70 5.12 -0.21 -1.26 -1.18 119.66 126.02 3faw s GLN 465 Ca 0.16 1.23 -0.15 0.00 0.02 0.00 0.00 55.36 56.63 3faw s GLN 465 Cb -0.11 -3.54 0.02 0.00 1.00 0.00 0.00 33.01 30.38 3faw s GLN 465 CO 0.06 -0.28 1.15 -1.54 -2.12 0.00 0.00 175.29 172.57 3faw s SER 466 N 1.09 4.60 0.35 5.90 1.04 -1.06 -4.77 113.70 120.85 3faw s SER 466 Ca 0.44 2.17 0.04 0.00 0.48 0.00 0.00 55.95 59.08 3faw s SER 466 Cb -0.18 -2.57 0.66 0.00 0.10 0.00 0.00 66.02 64.03 3faw s SER 466 CO 0.17 -1.98 1.97 4.11 0.98 0.00 0.00 173.24 178.49 3faw h TRP 467 N -0.20 0.67 -0.75 5.02 5.08 -1.93 0.15 115.95 123.99 3faw h TRP 467 Ca -0.47 -0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.48 3faw h TRP 467 Cb 1.27 -0.22 -0.04 0.00 -3.00 0.00 0.00 29.16 27.18 3faw h TRP 467 CO 0.51 0.49 0.43 0.93 -1.28 0.00 0.00 178.44 179.52 3faw h GLU 468 N 0.69 1.04 -0.20 0.12 3.07 -1.94 -0.32 114.58 117.04 3faw h GLU 468 Ca 0.17 -0.11 -0.17 0.00 -0.50 0.00 0.00 59.36 58.75 3faw h GLU 468 Cb 0.06 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 27.75 3faw h GLU 468 CO -0.03 0.76 -0.56 0.35 -1.40 0.00 0.00 179.01 178.14 3faw h PHE 469 N 1.04 0.78 -0.83 4.33 3.57 -1.57 -1.41 116.94 122.85 3faw h PHE 469 Ca 0.27 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3faw h PHE 469 Cb 0.01 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3faw h PHE 469 CO -0.00 1.04 0.47 0.87 -2.23 0.00 0.00 178.31 178.45 3faw h LYS 470 N 0.48 1.15 -0.40 1.11 1.57 -0.46 -0.89 116.57 119.13 3faw h LYS 470 Ca 0.01 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 3faw h LYS 470 Cb 1.11 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3faw h LYS 470 CO 0.11 0.83 0.02 -0.44 -0.57 0.00 0.00 179.45 179.40 3faw h ASP 471 N 1.16 0.67 -0.72 0.86 3.32 -0.94 0.28 116.42 121.05 3faw h ASP 471 Ca 0.29 -0.29 0.08 0.00 0.02 0.00 0.00 57.03 57.14 3faw h ASP 471 Cb 0.00 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.31 3faw h ASP 471 CO -0.05 0.80 0.38 -0.61 -1.72 0.00 0.00 179.24 178.04 3faw h GLN 472 N 0.53 0.65 0.18 3.56 4.15 -0.79 -1.45 115.11 121.93 3faw h GLN 472 Ca 0.12 -0.04 -0.35 0.00 0.77 0.00 0.00 58.65 59.15 3faw h GLN 472 Cb 0.44 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.99 3faw h GLN 472 CO 0.02 0.43 -1.71 -0.07 -1.93 0.00 0.00 178.83 175.56 3faw h LEU 473 N 0.67 0.60 -0.29 -2.39 3.38 -1.10 -3.42 115.31 112.76 3faw h LEU 473 Ca 0.35 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3faw h LEU 473 Cb 0.31 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3faw h LEU 473 CO -0.24 1.74 0.00 -1.22 0.09 0.00 0.00 178.44 178.81 3faw n TYR 474 N -3.58 0.00 -1.64 1.13 4.01 0.98 -4.70 117.16 113.37 3faw n TYR 474 Ca -0.23 0.00 -0.52 0.00 -0.16 0.00 0.00 57.90 56.99 3faw n TYR 474 Cb 1.07 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.05 3faw n TYR 474 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3faw n ALA 475 N -0.63 -0.28 -2.53 -0.72 0.00 -0.55 -4.73 120.51 111.06 3faw n ALA 475 Ca 0.00 0.46 -0.26 0.00 0.00 0.00 0.00 53.44 53.64 3faw n ALA 475 Cb 0.01 -2.19 -0.16 0.00 0.00 0.00 0.00 19.45 17.11 3faw n ALA 475 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3faw s TYR 476 N 1.54 1.71 -0.85 0.00 5.04 -1.26 -5.02 117.35 118.52 3faw s TYR 476 Ca 0.87 -0.35 0.07 0.00 -2.44 0.00 0.00 57.07 55.22 3faw s TYR 476 Cb -0.92 -1.11 0.06 0.00 0.35 0.00 0.00 41.96 40.34 3faw s TYR 476 CO 0.50 -0.05 0.74 0.43 -1.34 0.00 0.00 175.55 175.82 3faw n SER 477 N 2.70 1.61 -3.24 4.32 7.64 -1.26 -4.99 113.62 120.41 3faw n SER 477 Ca -0.15 -1.32 -0.18 0.00 1.01 0.00 0.00 58.87 58.23 3faw n SER 477 Cb 0.53 -0.01 0.12 0.00 -1.01 0.00 0.00 64.21 63.85 3faw n SER 477 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3faw n GLY 478 N 0.38 -1.09 3.76 0.23 0.00 -1.26 -5.01 105.19 102.19 3faw n GLY 478 Ca 0.04 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3faw n GLY 478 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3faw s ASN 479 N -3.97 6.93 0.08 1.61 3.04 -1.26 -5.05 114.94 116.33 3faw s ASN 479 Ca 0.46 2.50 0.09 0.00 0.04 0.00 0.00 52.86 55.95 3faw s ASN 479 Cb -0.01 -2.63 -0.03 0.00 -1.54 0.00 0.00 41.25 37.03 3faw s ASN 479 CO 0.32 -0.44 -0.23 -0.76 -3.04 0.00 0.00 177.10 172.96 3faw s LEU 480 N -1.18 2.25 0.00 3.21 1.43 -1.26 -4.81 118.68 118.31 3faw s LEU 480 Ca 0.50 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3faw s LEU 480 Cb -0.37 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 44.81 3faw s LEU 480 CO 0.45 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.79 3faw n GLY 481 N 1.37 -1.15 3.21 -3.19 0.00 -0.77 -4.92 105.19 99.73 3faw n GLY 481 Ca -0.18 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.38 3faw n GLY 481 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3faw s ALA 482 N -2.00 2.46 -0.23 4.61 0.00 -1.26 -1.30 121.76 124.04 3faw s ALA 482 Ca 0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.80 3faw s ALA 482 Cb 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.86 3faw s ALA 482 CO 0.00 -0.23 -0.07 0.08 0.00 0.00 0.00 175.76 175.54 3faw s VAL 483 N 1.12 3.00 0.38 0.00 1.01 -0.00 -4.83 120.40 121.08 3faw s VAL 483 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 3faw s VAL 483 Cb -0.14 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 3faw s VAL 483 CO -0.06 0.34 1.04 -0.76 0.00 0.00 0.00 175.10 175.66 3faw s LEU 484 N 1.39 4.19 0.96 3.92 1.43 -1.26 -1.35 118.68 127.96 3faw s LEU 484 Ca 0.03 2.03 -0.16 0.00 -1.03 0.00 0.00 54.13 55.00 3faw s LEU 484 Cb -0.15 -4.13 0.20 0.00 0.03 0.00 0.00 46.19 42.14 3faw s LEU 484 CO -0.05 -0.41 1.32 0.54 0.23 0.00 0.00 176.35 177.97 3faw s ASN 485 N -1.53 3.12 0.19 2.29 4.22 -0.40 -4.95 114.94 117.88 3faw s ASN 485 Ca 0.56 0.24 -0.12 0.00 -2.14 0.00 0.00 52.86 51.40 3faw s ASN 485 Cb -0.22 -0.29 0.14 0.00 1.28 0.00 0.00 41.25 42.16 3faw s ASN 485 CO 0.28 -2.73 1.81 -0.61 -2.04 0.00 0.00 177.10 173.81 3faw h GLN 486 N -1.63 0.61 -0.02 3.55 4.15 -1.98 -2.51 115.11 117.28 3faw h GLN 486 Ca -0.44 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.94 3faw h GLN 486 Cb 1.23 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3faw h GLN 486 CO 0.38 0.40 -0.07 -0.40 -1.93 0.00 0.00 178.83 177.21 3faw n ASP 487 N -4.80 2.04 0.00 -0.69 5.68 -1.26 -4.96 116.55 112.57 3faw n ASP 487 Ca 0.05 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 3faw n ASP 487 Cb 0.11 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 3faw n ASP 487 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3faw n GLY 488 N 1.28 0.77 0.16 6.12 0.00 -0.95 -4.90 105.19 107.67 3faw n GLY 488 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3faw n GLY 488 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3faw h SER 489 N 0.00 0.00 -3.67 1.61 4.64 -1.84 -1.41 113.55 112.88 3faw h SER 489 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3faw h SER 489 Cb 0.00 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.81 3faw h SER 489 CO 0.00 0.00 -0.56 -0.54 -0.87 0.00 0.00 176.83 174.86 3faw s LYS 490 N -3.29 0.15 -0.14 4.77 1.02 -1.26 -4.41 119.74 116.58 3faw s LYS 490 Ca 0.06 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.33 3faw s LYS 490 Cb 0.10 0.01 -0.00 0.00 -0.52 0.00 0.00 37.83 37.41 3faw s LYS 490 CO 0.53 -0.07 -0.17 0.08 -0.92 0.00 0.00 175.35 174.81 3faw s VAL 491 N 0.42 2.60 -0.33 3.17 1.01 -0.90 -1.28 120.40 125.11 3faw s VAL 491 Ca -0.03 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 3faw s VAL 491 Cb -0.04 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3faw s VAL 491 CO -0.02 0.53 0.40 -1.61 0.00 0.00 0.00 175.10 174.40 3faw s GLU 492 N 0.63 3.69 0.04 2.72 2.02 -0.46 -0.12 118.70 127.23 3faw s GLU 492 Ca -0.09 -0.23 0.07 0.00 0.02 0.00 0.00 54.97 54.74 3faw s GLU 492 Cb -0.16 -3.77 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 3faw s GLU 492 CO 0.03 -0.49 -0.18 0.00 0.02 0.00 0.00 175.26 174.63 3faw s ALA 493 N 2.13 2.58 -0.07 5.21 0.00 -0.72 -0.82 121.76 130.07 3faw s ALA 493 Ca 0.14 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 3faw s ALA 493 Cb -0.16 -0.74 0.03 0.00 0.00 0.00 0.00 23.12 22.25 3faw s ALA 493 CO 0.12 0.57 0.16 -1.12 0.00 0.00 0.00 175.76 175.48 3faw s SER 494 N -1.39 -0.14 -0.04 0.00 0.01 -0.42 -2.55 113.70 109.17 3faw s SER 494 Ca 0.14 0.32 -0.00 0.00 1.31 0.00 0.00 55.95 57.72 3faw s SER 494 Cb -0.10 0.25 0.03 0.00 0.21 0.00 0.00 66.02 66.40 3faw s SER 494 CO 0.05 -0.11 0.00 -0.22 0.41 0.00 0.00 173.24 173.37 3faw s LEU 495 N 0.77 0.93 -0.19 2.44 2.96 0.09 -1.84 118.68 123.83 3faw s LEU 495 Ca -0.06 -0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 53.58 3faw s LEU 495 Cb -0.07 -0.28 -0.01 0.00 0.50 0.00 0.00 46.19 46.32 3faw s LEU 495 CO -0.04 -0.13 0.79 0.86 -1.32 0.00 0.00 176.35 176.50 3faw s TRP 496 N 1.36 3.38 -0.43 5.38 -0.00 -1.26 0.15 118.94 127.52 3faw s TRP 496 Ca -0.05 1.15 0.01 0.00 -0.00 0.00 0.00 56.10 57.22 3faw s TRP 496 Cb -0.13 -2.97 0.22 0.00 -0.00 0.00 0.00 33.47 30.59 3faw s TRP 496 CO -0.02 -0.27 0.96 0.45 -0.00 0.00 0.00 176.95 178.07 3faw n SER 497 N 5.39 -2.42 0.28 5.86 2.88 -0.14 -4.87 113.62 120.59 3faw n SER 497 Ca 0.03 -2.29 0.16 0.00 -1.33 0.00 0.00 58.87 55.45 3faw n SER 497 Cb 0.49 1.32 0.74 0.00 -0.75 0.00 0.00 64.21 66.00 3faw n SER 497 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3faw h PRO 498 N 4.22 0.00 -0.04 -1.46 0.13 -1.86 -2.73 132.00 130.25 3faw h PRO 498 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3faw h PRO 498 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3faw h PRO 498 CO 0.02 0.06 0.00 0.43 -0.23 0.00 0.00 178.00 178.27 3faw n SER 499 N -3.23 2.14 -4.76 1.44 7.64 -1.26 -4.90 113.62 110.69 3faw n SER 499 Ca -0.00 -1.72 -0.41 0.00 1.01 0.00 0.00 58.87 57.75 3faw n SER 499 Cb 0.28 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.43 3faw n SER 499 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3faw s ALA 500 N -1.98 3.45 0.09 -0.43 0.00 -1.03 -4.88 121.76 116.98 3faw s ALA 500 Ca 0.34 1.05 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 3faw s ALA 500 Cb 0.21 -3.40 -0.20 0.00 0.00 0.00 0.00 23.12 19.72 3faw s ALA 500 CO 0.32 -0.37 1.20 -0.44 0.00 0.00 0.00 175.76 176.47 3faw h ASP 501 N 3.77 0.75 -5.00 0.00 3.32 -0.94 -3.48 116.42 114.85 3faw h ASP 501 Ca -0.47 -0.64 -0.07 0.00 0.02 0.00 0.00 57.03 55.87 3faw h ASP 501 Cb 1.22 -0.23 -0.18 0.00 0.22 0.00 0.00 39.33 40.35 3faw h ASP 501 CO 0.67 1.44 0.04 -0.94 -1.72 0.00 0.00 179.24 178.73 3faw s SER 502 N -7.25 -0.48 -0.05 6.45 1.04 -1.14 -5.01 113.70 107.26 3faw s SER 502 Ca -0.08 0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.76 3faw s SER 502 Cb 0.07 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.68 3faw s SER 502 CO 0.90 -0.61 -0.07 -0.69 0.98 0.00 0.00 173.24 173.76 3faw s VAL 503 N -1.64 0.72 -0.05 5.02 1.01 -1.26 -1.35 120.40 122.85 3faw s VAL 503 Ca -0.10 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3faw s VAL 503 Cb -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.65 3faw s VAL 503 CO 0.05 0.27 -0.17 -0.89 0.00 0.00 0.00 175.10 174.36 3faw s THR 504 N 0.92 1.41 -0.05 3.92 2.01 -0.44 -1.15 115.64 122.27 3faw s THR 504 Ca -0.11 -0.69 -0.20 0.00 0.31 0.00 0.00 61.69 61.00 3faw s THR 504 Cb -0.15 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 3faw s THR 504 CO 0.01 0.41 0.57 -0.32 -0.69 0.00 0.00 174.62 174.60 3faw s MET 505 N 0.21 4.32 -0.17 4.92 1.75 -0.44 0.35 119.30 130.24 3faw s MET 505 Ca -0.08 0.66 -0.03 0.00 -1.25 0.00 0.00 55.69 54.99 3faw s MET 505 Cb -0.13 -3.38 -0.02 0.00 2.84 0.00 0.00 34.83 34.14 3faw s MET 505 CO 0.03 0.28 -0.04 0.42 -0.65 0.00 0.00 175.02 175.05 3faw s ILE 506 N 0.15 3.68 -0.12 10.11 1.01 0.06 -1.98 121.20 134.12 3faw s ILE 506 Ca 0.30 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 3faw s ILE 506 Cb -0.17 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 3faw s ILE 506 CO 0.15 0.47 -0.06 -0.63 0.00 0.00 0.00 174.94 174.87 3faw s ILE 507 N 0.71 3.73 0.01 2.92 1.01 0.33 -1.47 121.20 128.44 3faw s ILE 507 Ca -0.02 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.27 3faw s ILE 507 Cb -0.15 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3faw s ILE 507 CO 0.02 0.54 -0.23 -0.31 0.00 0.00 0.00 174.94 174.96 3faw s TYR 508 N -0.12 2.41 0.07 3.97 2.02 0.11 -0.98 117.35 124.84 3faw s TYR 508 Ca 0.02 -0.36 -0.35 0.00 -0.37 0.00 0.00 57.07 56.01 3faw s TYR 508 Cb -0.13 -1.47 -0.14 0.00 -0.40 0.00 0.00 41.96 39.82 3faw s TYR 508 CO 0.03 0.09 1.62 -3.47 -1.57 0.00 0.00 175.55 172.25 3faw n ASP 509 N 2.05 2.92 -0.29 2.29 -0.08 -0.28 -1.82 116.55 121.33 3faw n ASP 509 Ca -0.16 1.06 0.10 0.00 -1.51 0.00 0.00 54.79 54.28 3faw n ASP 509 Cb 0.52 -1.36 0.33 0.00 2.34 0.00 0.00 41.12 42.94 3faw n ASP 509 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3faw h LYS 510 N 6.49 0.78 -0.26 -0.67 2.10 -1.92 -2.09 116.57 121.00 3faw h LYS 510 Ca -0.46 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3faw h LYS 510 Cb 1.27 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3faw h LYS 510 CO 0.89 0.51 0.00 -0.25 -2.00 0.00 0.00 179.45 178.60 3faw n ASP 511 N -4.56 2.52 -2.98 7.07 8.00 -1.26 -4.62 116.55 120.71 3faw n ASP 511 Ca 0.17 -1.85 -0.01 0.00 0.71 0.00 0.00 54.79 53.81 3faw n ASP 511 Cb 0.40 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3faw n ASP 511 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3faw s ASN 512 N -1.54 -1.27 0.50 -2.24 3.84 -0.80 -5.05 114.94 108.38 3faw s ASN 512 Ca 0.35 -0.96 0.34 0.00 0.21 0.00 0.00 52.86 52.79 3faw s ASN 512 Cb 0.20 1.64 1.76 0.00 -0.55 0.00 0.00 41.25 44.30 3faw s ASN 512 CO 0.29 -0.11 2.04 0.06 -2.79 0.00 0.00 177.10 176.59 3faw h GLN 513 N 6.00 0.00 0.00 0.43 3.07 -1.77 -0.90 115.11 121.94 3faw h GLN 513 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 3faw h GLN 513 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 3faw h GLN 513 CO 0.04 0.00 -0.11 0.09 0.09 0.00 0.00 178.83 178.93 3faw n ASN 514 N -2.74 0.13 -4.51 0.06 5.03 -1.26 -4.66 115.26 107.31 3faw n ASN 514 Ca -0.02 0.34 -0.43 0.00 0.87 0.00 0.00 54.58 55.34 3faw n ASN 514 Cb 0.10 -0.34 -0.07 0.00 -1.02 0.00 0.00 39.78 38.46 3faw n ASN 514 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 3faw s ARG 515 N -3.00 3.24 0.02 3.52 3.52 -0.34 -5.01 118.95 120.89 3faw s ARG 515 Ca 0.13 -0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 54.96 3faw s ARG 515 Cb 0.18 -3.96 -0.06 0.00 -1.56 0.00 0.00 34.95 29.56 3faw s ARG 515 CO 0.57 -1.00 1.35 0.08 -0.81 0.00 0.00 175.30 175.50 3faw s VAL 516 N 2.69 3.74 -0.02 7.11 1.01 -1.26 -1.13 120.40 132.54 3faw s VAL 516 Ca 0.20 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.39 3faw s VAL 516 Cb -0.15 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 3faw s VAL 516 CO 0.18 0.02 0.10 1.33 0.00 0.00 0.00 175.10 176.74 3faw n VAL 517 N 4.45 0.00 -3.54 2.92 0.24 -0.15 -4.93 118.33 117.32 3faw n VAL 517 Ca 0.12 -0.12 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 3faw n VAL 517 Cb 0.44 0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 33.21 3faw n VAL 517 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3faw s ALA 518 N -2.25 -1.88 0.03 2.33 0.00 -1.20 -5.02 121.76 113.77 3faw s ALA 518 Ca -0.01 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3faw s ALA 518 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 3faw s ALA 518 CO 0.19 -0.45 -0.05 0.95 0.00 0.00 0.00 175.76 176.40 3faw s THR 519 N -1.86 0.25 -0.16 0.00 -4.23 -1.26 -0.52 115.64 107.87 3faw s THR 519 Ca -0.00 -0.98 -0.14 0.00 -1.18 0.00 0.00 61.69 59.39 3faw s THR 519 Cb -0.01 -0.39 0.04 0.00 1.34 0.00 0.00 72.50 73.49 3faw s THR 519 CO -0.01 -0.47 0.42 0.28 -0.54 0.00 0.00 174.62 174.29 3faw s THR 520 N -1.47 -0.00 0.21 3.99 -1.32 -0.84 -5.00 115.64 111.22 3faw s THR 520 Ca -0.14 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.09 3faw s THR 520 Cb -0.10 -0.59 -0.09 0.00 -1.51 0.00 0.00 72.50 70.22 3faw s THR 520 CO -0.01 0.00 0.82 -2.16 -2.21 0.00 0.00 174.62 171.07 3faw s PRO 521 N 0.25 4.57 0.37 7.08 0.04 -1.26 -1.32 135.00 144.73 3faw s PRO 521 Ca -0.00 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.24 3faw s PRO 521 Cb -0.03 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 3faw s PRO 521 CO 0.00 0.48 0.57 -0.51 0.04 0.00 0.00 177.00 177.59 3faw s LEU 522 N -1.45 3.94 -0.09 -3.56 1.02 -0.30 -4.89 118.68 113.36 3faw s LEU 522 Ca 0.40 0.42 0.02 0.00 0.02 0.00 0.00 54.13 54.99 3faw s LEU 522 Cb -0.22 -3.29 -0.02 0.00 0.02 0.00 0.00 46.19 42.68 3faw s LEU 522 CO 0.26 -0.37 -0.14 -0.69 0.02 0.00 0.00 176.35 175.43 3faw s VAL 523 N -2.37 3.04 0.01 -1.59 1.01 0.05 -4.64 120.40 115.91 3faw s VAL 523 Ca 0.42 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 3faw s VAL 523 Cb -0.10 -2.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 3faw s VAL 523 CO 0.36 0.56 0.46 -0.75 0.00 0.00 0.00 175.10 175.73 3faw s LYS 524 N -0.23 4.03 0.33 2.72 2.20 -1.26 -0.37 119.74 127.15 3faw s LYS 524 Ca 0.01 0.50 0.05 0.00 -0.36 0.00 0.00 55.97 56.17 3faw s LYS 524 Cb -0.13 -3.24 0.05 0.00 -1.51 0.00 0.00 37.83 33.00 3faw s LYS 524 CO 0.03 0.64 0.45 0.27 -0.36 0.00 0.00 175.35 176.38 3faw n ASN 525 N 1.94 1.16 0.27 1.43 0.23 -0.70 -4.94 115.26 114.65 3faw n ASN 525 Ca -0.12 -1.85 0.14 0.00 -0.53 0.00 0.00 54.58 52.22 3faw n ASN 525 Cb 0.52 -0.24 0.72 0.00 -2.08 0.00 0.00 39.78 38.70 3faw n ASN 525 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 3faw h ASN 526 N 0.04 0.00 -0.51 0.53 -0.00 -1.99 -2.26 115.58 111.39 3faw h ASN 526 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.15 3faw h ASN 526 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.01 3faw h ASN 526 CO 0.22 0.10 0.00 0.29 -0.00 0.00 0.00 177.43 178.04 3faw n LYS 527 N -3.40 2.69 -1.72 6.67 4.76 -1.26 -4.87 118.16 121.02 3faw n LYS 527 Ca -0.01 -2.05 -0.06 0.00 -2.87 0.00 0.00 58.31 53.32 3faw n LYS 527 Cb 0.27 -1.59 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 3faw n LYS 527 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3faw n GLY 528 N 1.13 0.41 3.51 0.72 0.00 -0.85 -4.63 105.19 105.48 3faw n GLY 528 Ca 0.19 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 3faw n GLY 528 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3faw s VAL 529 N -2.25 5.12 -0.02 1.61 1.01 -1.26 -0.97 120.40 123.65 3faw s VAL 529 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.47 3faw s VAL 529 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3faw s VAL 529 CO 0.00 0.01 0.75 0.26 0.00 0.00 0.00 175.10 176.12 3faw s TRP 530 N 1.70 3.65 0.03 5.22 0.52 0.12 -1.73 118.94 128.45 3faw s TRP 530 Ca 0.06 1.38 0.01 0.00 0.02 0.00 0.00 56.10 57.56 3faw s TRP 530 Cb -0.17 -2.84 -0.02 0.00 -1.15 0.00 0.00 33.47 29.29 3faw s TRP 530 CO 0.10 0.15 -0.05 -0.65 0.02 0.00 0.00 176.95 176.52 3faw s GLN 531 N 0.47 0.42 0.29 4.98 -0.21 0.50 -0.73 119.66 125.38 3faw s GLN 531 Ca 0.39 -0.71 -0.15 0.00 0.02 0.00 0.00 55.36 54.91 3faw s GLN 531 Cb -0.19 -0.06 0.01 0.00 1.00 0.00 0.00 33.01 33.78 3faw s GLN 531 CO 0.21 -0.01 0.61 -0.08 -2.12 0.00 0.00 175.29 173.90 3faw s THR 532 N -1.57 0.00 -0.16 -0.19 -1.32 -1.06 -0.77 115.64 110.58 3faw s THR 532 Ca -0.12 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.15 3faw s THR 532 Cb -0.09 -2.28 0.03 0.00 -1.51 0.00 0.00 72.50 68.65 3faw s THR 532 CO -0.01 0.00 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.66 3faw s ILE 533 N -3.62 1.45 0.19 5.08 1.01 -1.26 -1.76 121.20 122.28 3faw s ILE 533 Ca 0.18 -0.67 -0.28 0.00 0.00 0.00 0.00 60.65 59.88 3faw s ILE 533 Cb -0.03 -1.44 -0.08 0.00 0.01 0.00 0.00 42.46 40.91 3faw s ILE 533 CO 0.10 0.33 0.87 -0.76 0.00 0.00 0.00 174.94 175.48 3faw s LEU 534 N 1.52 4.61 0.00 2.97 1.43 0.83 -4.92 118.68 125.12 3faw s LEU 534 Ca 0.03 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 3faw s LEU 534 Cb -0.14 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 42.61 3faw s LEU 534 CO -0.09 0.16 0.00 -0.90 0.23 0.00 0.00 176.35 175.74 3faw n ASP 535 N 1.68 0.00 0.31 2.29 5.68 -1.26 -2.11 116.55 123.14 3faw n ASP 535 Ca -0.03 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.44 3faw n ASP 535 Cb 0.48 0.00 0.98 0.00 -1.14 0.00 0.00 41.12 41.44 3faw n ASP 535 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3faw h THR 536 N 0.00 0.26 0.00 2.12 1.35 -1.80 -3.05 112.91 111.79 3faw h THR 536 Ca 0.00 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3faw h THR 536 Cb 0.00 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3faw h THR 536 CO 0.00 0.02 -0.01 0.11 -0.25 0.00 0.00 175.52 175.39 3faw h LYS 537 N 0.00 0.00 -0.52 4.72 1.57 -1.96 -0.97 116.57 119.41 3faw h LYS 537 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3faw h LYS 537 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3faw h LYS 537 CO 0.00 0.01 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 3faw n LEU 538 N -3.52 2.95 -0.31 2.94 4.77 -1.15 -4.95 117.00 117.72 3faw n LEU 538 Ca -0.03 -1.45 -0.04 0.00 -0.03 0.00 0.00 56.01 54.47 3faw n LEU 538 Cb 0.10 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3faw n LEU 538 CO 0.25 0.72 -0.04 0.61 -1.33 0.00 0.00 177.39 177.60 3faw n GLY 539 N 1.38 0.69 3.18 -0.72 0.00 -0.37 -4.88 105.19 104.48 3faw n GLY 539 Ca 0.19 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 3faw n GLY 539 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3faw s ILE 540 N -2.08 2.12 -0.00 -0.61 1.01 -1.26 -5.03 121.20 115.34 3faw s ILE 540 Ca 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 3faw s ILE 540 Cb 0.00 -1.84 -0.28 0.00 0.01 0.00 0.00 42.46 40.34 3faw s ILE 540 CO 0.00 0.55 0.84 0.07 0.00 0.00 0.00 174.94 176.40 3faw h LYS 541 N 7.25 0.28 -3.54 2.79 2.10 -1.94 -3.42 116.57 120.10 3faw h LYS 541 Ca -0.31 -0.48 -0.47 0.00 -2.00 0.00 0.00 60.65 57.40 3faw h LYS 541 Cb 1.20 0.18 -0.39 0.00 -0.90 0.00 0.00 32.23 32.31 3faw h LYS 541 CO 0.55 1.15 -0.76 1.21 -2.00 0.00 0.00 179.45 179.60 3faw s ASN 542 N -7.04 2.16 0.00 7.07 3.84 -1.26 -4.13 114.94 115.58 3faw s ASN 542 Ca -0.10 -0.42 0.29 0.00 0.21 0.00 0.00 52.86 52.84 3faw s ASN 542 Cb 0.07 -0.46 1.34 0.00 -0.55 0.00 0.00 41.25 41.64 3faw s ASN 542 CO 0.86 -0.26 1.94 -1.22 -2.79 0.00 0.00 177.10 175.63 3faw n TYR 543 N 5.13 0.00 -1.68 0.43 4.01 -0.53 -4.87 117.16 119.65 3faw n TYR 543 Ca -0.08 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.21 3faw n TYR 543 Cb 0.49 -0.27 -0.04 0.00 -0.31 0.00 0.00 39.34 39.20 3faw n TYR 543 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3faw n THR 544 N -1.21 0.13 0.00 -0.72 -1.04 -1.26 -1.80 114.28 108.38 3faw n THR 544 Ca 0.13 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3faw n THR 544 Cb 0.27 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 3faw n THR 544 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3faw n GLY 545 N 3.76 2.53 3.78 3.41 0.00 -0.49 -4.98 105.19 113.19 3faw n GLY 545 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3faw n GLY 545 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3faw s TYR 546 N -2.19 2.68 0.22 1.61 1.51 -0.75 -4.33 117.35 116.10 3faw s TYR 546 Ca 0.00 1.54 0.10 0.00 -1.01 0.00 0.00 57.07 57.70 3faw s TYR 546 Cb 0.00 -3.11 -0.04 0.00 -0.11 0.00 0.00 41.96 38.69 3faw s TYR 546 CO 0.00 -1.61 -0.10 0.71 -1.11 0.00 0.00 175.55 173.44 3faw s TYR 547 N -2.49 2.58 -0.03 2.71 1.51 -0.75 -1.11 117.35 119.76 3faw s TYR 547 Ca 0.65 -0.25 -0.12 0.00 -1.01 0.00 0.00 57.07 56.34 3faw s TYR 547 Cb -0.19 -1.22 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 3faw s TYR 547 CO 0.44 0.56 0.27 1.52 -1.11 0.00 0.00 175.55 177.24 3faw s TYR 548 N -1.96 -0.17 0.26 2.71 -0.85 -0.31 0.09 117.35 117.13 3faw s TYR 548 Ca 0.27 0.32 0.07 0.00 -0.52 0.00 0.00 57.07 57.21 3faw s TYR 548 Cb -0.08 0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.28 3faw s TYR 548 CO 0.16 -0.31 -0.09 -0.51 -1.52 0.00 0.00 175.55 173.27 3faw s LEU 549 N -0.98 2.52 -0.14 -3.49 1.43 -0.54 -1.94 118.68 115.53 3faw s LEU 549 Ca -0.11 -1.13 -0.02 0.00 -1.03 0.00 0.00 54.13 51.85 3faw s LEU 549 Cb -0.05 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 3faw s LEU 549 CO 0.03 -0.26 -0.09 -0.31 0.23 0.00 0.00 176.35 175.95 3faw s TYR 550 N -2.95 2.90 -0.34 0.29 2.02 -1.00 -0.76 117.35 117.51 3faw s TYR 550 Ca 0.28 -0.53 -0.13 0.00 -0.37 0.00 0.00 57.07 56.32 3faw s TYR 550 Cb 0.02 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 3faw s TYR 550 CO 0.11 -0.16 0.26 -2.00 -1.57 0.00 0.00 175.55 172.19 3faw s GLU 551 N 0.40 3.53 -0.17 -0.62 2.12 0.15 -0.11 118.70 124.00 3faw s GLU 551 Ca -0.08 -0.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.59 3faw s GLU 551 Cb -0.15 -3.80 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 3faw s GLU 551 CO 0.04 -0.45 0.05 0.42 -0.54 0.00 0.00 175.26 174.79 3faw s ILE 552 N 1.77 4.70 -0.17 -3.70 1.01 -0.21 -1.33 121.20 123.27 3faw s ILE 552 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 3faw s ILE 552 Cb -0.17 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 3faw s ILE 552 CO 0.11 0.49 -0.07 -0.75 0.00 0.00 0.00 174.94 174.71 3faw s LYS 553 N 0.19 3.49 -0.34 2.79 2.20 -0.46 -1.91 119.74 125.70 3faw s LYS 553 Ca 0.04 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 3faw s LYS 553 Cb -0.12 -2.85 0.11 0.00 -1.51 0.00 0.00 37.83 33.45 3faw s LYS 553 CO 0.01 0.10 0.13 1.03 -0.36 0.00 0.00 175.35 176.26 3faw s ARG 554 N 0.70 0.92 7.27 4.03 0.52 -0.90 -0.19 118.95 131.29 3faw s ARG 554 Ca -0.03 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 3faw s ARG 554 Cb -0.15 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.15 3faw s ARG 554 CO 0.02 -1.03 0.00 0.41 0.02 0.00 0.00 175.30 174.72 3faw n GLY 555 N 4.47 2.34 0.14 -3.53 0.00 -1.26 -3.23 105.19 104.13 3faw n GLY 555 Ca 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.72 3faw n GLY 555 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3faw h LYS 556 N 0.00 0.00 -6.45 1.61 3.64 -2.02 -3.46 116.57 109.89 3faw h LYS 556 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 3faw h LYS 556 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3faw h LYS 556 CO 0.00 0.56 0.13 -0.51 -2.27 0.00 0.00 179.45 177.36 3faw s ASP 557 N -6.54 7.31 -0.01 4.20 1.11 -1.20 -5.08 116.67 116.47 3faw s ASP 557 Ca 0.01 1.55 0.06 0.00 0.18 0.00 0.00 52.55 54.36 3faw s ASP 557 Cb 0.10 -2.46 -0.02 0.00 1.07 0.00 0.00 42.92 41.61 3faw s ASP 557 CO 0.74 0.23 -0.20 -0.54 1.18 0.00 0.00 175.17 176.58 3faw s LYS 558 N -1.14 1.57 -0.03 8.23 1.02 -1.26 -2.12 119.74 126.01 3faw s LYS 558 Ca 0.34 -0.74 -0.08 0.00 0.02 0.00 0.00 55.97 55.51 3faw s LYS 558 Cb -0.22 -1.54 0.01 0.00 -0.52 0.00 0.00 37.83 35.56 3faw s LYS 558 CO 0.24 0.42 0.18 0.54 -0.92 0.00 0.00 175.35 175.81 3faw s VAL 559 N -0.52 0.04 -0.26 3.17 0.11 -0.80 -4.98 120.40 117.16 3faw s VAL 559 Ca 0.08 -0.36 -0.11 0.00 -2.93 0.00 0.00 61.98 58.65 3faw s VAL 559 Cb -0.08 -0.38 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 3faw s VAL 559 CO -0.00 -0.20 0.18 -0.54 -3.33 0.00 0.00 175.10 171.20 3faw s LYS 560 N -0.72 3.98 0.32 1.54 1.02 -1.26 -1.05 119.74 123.58 3faw s LYS 560 Ca -0.08 -0.31 0.10 0.00 0.02 0.00 0.00 55.97 55.70 3faw s LYS 560 Cb -0.05 -3.61 -0.06 0.00 -0.52 0.00 0.00 37.83 33.60 3faw s LYS 560 CO 0.01 -0.09 -0.09 0.96 -0.92 0.00 0.00 175.35 175.22 3faw s ILE 561 N 1.50 2.53 -0.25 2.17 -5.25 0.85 -4.75 121.20 118.00 3faw s ILE 561 Ca 0.07 -2.17 -0.10 0.00 -0.99 0.00 0.00 60.65 57.46 3faw s ILE 561 Cb -0.15 -2.61 -0.05 0.00 2.95 0.00 0.00 42.46 42.60 3faw s ILE 561 CO 0.08 -0.27 0.15 -0.22 -1.79 0.00 0.00 174.94 172.90 3faw s LEU 562 N -3.62 4.00 -0.28 0.37 2.96 -1.26 -2.38 118.68 118.47 3faw s LEU 562 Ca 0.32 0.04 -0.36 0.00 -0.22 0.00 0.00 54.13 53.92 3faw s LEU 562 Cb -0.01 -2.08 -0.12 0.00 0.50 0.00 0.00 46.19 44.48 3faw s LEU 562 CO 0.17 0.03 2.04 -0.67 -1.32 0.00 0.00 176.35 176.60 3faw n ASP 563 N 4.53 2.51 0.29 3.68 -0.08 -1.26 -4.84 116.55 121.38 3faw n ASP 563 Ca -0.15 0.65 0.16 0.00 -1.51 0.00 0.00 54.79 53.94 3faw n ASP 563 Cb 0.52 -1.27 0.85 0.00 2.34 0.00 0.00 41.12 43.55 3faw n ASP 563 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3faw h PRO 564 N 10.85 0.00 -0.64 -0.67 0.13 -1.96 -2.22 132.00 137.48 3faw h PRO 564 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3faw h PRO 564 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3faw h PRO 564 CO 0.99 0.06 0.00 0.66 -0.23 0.00 0.00 178.00 179.48 3faw n TYR 565 N -3.48 1.37 -1.72 1.56 4.02 -1.26 -4.50 117.16 113.15 3faw n TYR 565 Ca -0.02 -0.52 -0.42 0.00 -0.01 0.00 0.00 57.90 56.93 3faw n TYR 565 Cb 0.19 -0.28 -0.03 0.00 -0.02 0.00 0.00 39.34 39.20 3faw n TYR 565 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3faw n ALA 566 N 0.77 2.83 0.48 -0.72 0.00 -0.84 -4.67 120.51 118.36 3faw n ALA 566 Ca 0.22 0.39 0.12 0.00 0.00 0.00 0.00 53.44 54.16 3faw n ALA 566 Cb 0.83 -2.54 0.09 0.00 0.00 0.00 0.00 19.45 17.84 3faw n ALA 566 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3faw n LYS 567 N 4.15 0.35 -3.87 0.00 4.76 -1.26 -2.23 118.16 120.06 3faw n LYS 567 Ca 0.16 0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.56 3faw n LYS 567 Cb 0.35 -1.68 0.01 0.00 -1.84 0.00 0.00 35.03 31.87 3faw n LYS 567 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3faw s SER 568 N -4.34 0.19 0.10 4.39 0.15 -1.26 -4.40 113.70 108.53 3faw s SER 568 Ca 0.04 -1.20 -0.06 0.00 0.70 0.00 0.00 55.95 55.43 3faw s SER 568 Cb 0.13 0.81 -0.02 0.00 -1.71 0.00 0.00 66.02 65.23 3faw s SER 568 CO 0.76 -1.59 0.13 -0.76 1.20 0.00 0.00 173.24 172.98 3faw s LEU 569 N -3.10 1.68 0.60 3.45 1.43 -1.26 -0.97 118.68 120.51 3faw s LEU 569 Ca 0.19 -0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 52.26 3faw s LEU 569 Cb -0.04 0.74 -0.03 0.00 0.03 0.00 0.00 46.19 46.89 3faw s LEU 569 CO 0.13 -0.72 1.12 0.00 0.23 0.00 0.00 176.35 177.11 3faw s ALA 570 N -3.92 2.59 0.18 4.21 0.00 -0.41 -4.53 121.76 119.87 3faw s ALA 570 Ca 0.10 0.68 -0.33 0.00 0.00 0.00 0.00 51.96 52.41 3faw s ALA 570 Cb 0.06 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.69 3faw s ALA 570 CO -0.07 -1.01 1.20 -0.85 0.00 0.00 0.00 175.76 175.03 3faw n GLU 571 N -1.85 1.27 -5.17 0.00 0.00 -1.23 -4.69 120.64 108.96 3faw n GLU 571 Ca 0.11 0.45 -0.32 0.00 0.00 0.00 0.00 57.16 57.40 3faw n GLU 571 Cb 0.51 -1.97 -0.17 0.00 0.00 0.00 0.00 31.44 29.81 3faw n GLU 571 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.13 176.67 3faw s TRP 572 N -0.14 2.58 -0.20 -1.84 -0.00 -1.26 -4.95 118.94 113.13 3faw s TRP 572 Ca 0.73 -0.98 -0.03 0.00 -0.00 0.00 0.00 56.10 55.82 3faw s TRP 572 Cb -0.83 -1.72 0.07 0.00 -0.00 0.00 0.00 33.47 30.99 3faw s TRP 572 CO 0.52 -0.38 0.06 0.34 -0.00 0.00 0.00 176.95 177.49 3faw s ASP 573 N 0.31 2.88 0.39 5.86 2.15 -1.26 -1.17 116.67 125.83 3faw s ASP 573 Ca -0.17 -0.86 0.27 0.00 0.43 0.00 0.00 52.55 52.22 3faw s ASP 573 Cb -0.17 -0.49 1.36 0.00 -0.30 0.00 0.00 42.92 43.31 3faw s ASP 573 CO 0.08 -0.34 1.83 0.77 -0.17 0.00 0.00 175.17 177.34 3faw h SER 574 N 8.30 0.00 0.24 -0.34 4.64 -1.42 -0.99 113.55 123.98 3faw h SER 574 Ca -0.16 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 3faw h SER 574 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3faw h SER 574 CO 0.34 0.00 -0.03 0.78 -0.87 0.00 0.00 176.83 177.05 3faw h ASN 575 N 0.00 0.00 0.65 4.97 -0.26 -1.94 -2.83 115.58 116.17 3faw h ASN 575 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3faw h ASN 575 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 3faw h ASN 575 CO 0.00 0.03 -0.01 0.35 -1.06 0.00 0.00 177.43 176.74 3faw n THR 576 N -3.39 0.00 -1.68 2.81 -2.24 -0.37 -4.90 114.28 104.51 3faw n THR 576 Ca -0.02 -0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.31 3faw n THR 576 Cb 0.15 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 3faw n THR 576 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3faw n VAL 577 N -1.32 1.23 -4.01 2.28 0.31 -1.07 -4.97 118.33 110.78 3faw n VAL 577 Ca 0.13 -0.31 -0.01 0.00 -0.01 0.00 0.00 64.34 64.14 3faw n VAL 577 Cb 0.27 -1.50 -0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3faw n VAL 577 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3faw n ASN 578 N 1.80 0.24 0.23 4.52 0.23 -0.65 -5.01 115.26 116.62 3faw n ASN 578 Ca 0.10 -1.08 0.10 0.00 -0.53 0.00 0.00 54.58 53.16 3faw n ASN 578 Cb 0.33 0.06 0.57 0.00 -2.08 0.00 0.00 39.78 38.65 3faw n ASN 578 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3faw h ASP 579 N 0.07 0.00 0.00 0.53 3.32 -2.02 -3.34 116.42 114.98 3faw h ASP 579 Ca -0.01 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 3faw h ASP 579 Cb 0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3faw h ASP 579 CO 0.01 0.20 -1.04 -0.67 -1.72 0.00 0.00 179.24 176.03 3faw n ASP 580 N -3.58 1.85 -4.18 6.45 2.03 -1.26 -4.84 116.55 113.02 3faw n ASP 580 Ca -0.01 0.50 -0.34 0.00 0.52 0.00 0.00 54.79 55.45 3faw n ASP 580 Cb 0.34 -0.91 -0.14 0.00 -0.72 0.00 0.00 41.12 39.69 3faw n ASP 580 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3faw s ILE 581 N -2.35 2.85 -0.09 5.18 1.01 -1.25 -4.41 121.20 122.14 3faw s ILE 581 Ca -0.24 -1.16 0.13 0.00 0.00 0.00 0.00 60.65 59.38 3faw s ILE 581 Cb 0.05 -2.51 0.24 0.00 0.01 0.00 0.00 42.46 40.25 3faw s ILE 581 CO 0.43 0.11 1.12 2.29 0.00 0.00 0.00 174.94 178.88 3faw n LYS 582 N 4.64 0.77 -4.13 2.79 2.85 -1.26 -1.63 118.16 122.19 3faw n LYS 582 Ca -0.15 -2.14 -0.10 0.00 -1.05 0.00 0.00 58.31 54.86 3faw n LYS 582 Cb 0.46 -1.01 -0.09 0.00 -0.65 0.00 0.00 35.03 33.73 3faw n LYS 582 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3faw s THR 583 N -1.67 0.07 0.94 0.58 -4.23 -1.26 -4.98 115.64 105.08 3faw s THR 583 Ca 0.23 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 3faw s THR 583 Cb 0.22 -2.12 0.15 0.00 1.34 0.00 0.00 72.50 72.10 3faw s THR 583 CO -0.02 -0.33 1.09 0.00 -0.54 0.00 0.00 174.62 174.82 3faw s ALA 584 N -4.06 1.23 -0.11 3.99 0.00 -1.26 -5.04 121.76 116.51 3faw s ALA 584 Ca 0.26 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 3faw s ALA 584 Cb 0.07 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3faw s ALA 584 CO 0.04 -2.65 0.09 0.15 0.00 0.00 0.00 175.76 173.39 3faw s LYS 585 N -4.79 3.35 0.81 0.00 1.02 -1.26 -4.76 119.74 114.11 3faw s LYS 585 Ca 0.65 -0.23 -0.11 0.00 0.02 0.00 0.00 55.97 56.30 3faw s LYS 585 Cb -0.20 -3.07 0.08 0.00 -0.52 0.00 0.00 37.83 34.12 3faw s LYS 585 CO 0.58 0.71 1.09 0.00 -0.92 0.00 0.00 175.35 176.82 3faw s ALA 586 N -0.86 2.04 0.05 5.17 0.00 -0.82 -1.29 121.76 126.05 3faw s ALA 586 Ca 0.14 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.37 3faw s ALA 586 Cb -0.12 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 3faw s ALA 586 CO 0.03 -1.97 -0.16 0.00 0.00 0.00 0.00 175.76 173.67 3faw s ALA 587 N -2.89 1.32 -0.42 0.00 0.00 -0.14 -1.16 121.76 118.46 3faw s ALA 587 Ca 0.62 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 51.43 3faw s ALA 587 Cb -0.18 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.75 3faw s ALA 587 CO 0.56 0.26 0.88 -0.06 0.00 0.00 0.00 175.76 177.40 3faw s PHE 588 N -0.88 3.00 0.12 0.00 0.08 -0.27 -4.25 117.98 115.77 3faw s PHE 588 Ca 0.03 0.46 -0.00 0.00 0.12 0.00 0.00 56.93 57.54 3faw s PHE 588 Cb -0.08 -3.77 -0.04 0.00 -0.57 0.00 0.00 43.02 38.56 3faw s PHE 588 CO 0.02 -0.97 0.01 0.14 -0.10 0.00 0.00 175.22 174.32 3faw s VAL 589 N 3.52 0.31 -0.55 -0.44 -7.23 -1.26 -1.40 120.40 113.35 3faw s VAL 589 Ca 0.35 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 3faw s VAL 589 Cb -0.11 -1.90 0.14 0.00 0.56 0.00 0.00 36.38 35.07 3faw s VAL 589 CO 0.23 -0.63 0.33 0.21 -0.31 0.00 0.00 175.10 174.92 3faw s ASN 590 N -3.04 4.17 0.28 4.85 3.84 -1.26 -4.49 114.94 119.29 3faw s ASN 590 Ca 0.19 -3.18 0.02 0.00 0.21 0.00 0.00 52.86 50.10 3faw s ASN 590 Cb 0.07 -1.45 0.69 0.00 -0.55 0.00 0.00 41.25 40.01 3faw s ASN 590 CO -0.01 -0.19 1.68 -0.65 -2.79 0.00 0.00 177.10 175.13 3faw h PRO 591 N 6.18 0.31 0.00 0.43 0.11 -1.96 -1.91 132.00 135.17 3faw h PRO 591 Ca 0.02 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3faw h PRO 591 Cb 0.86 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 3faw h PRO 591 CO 0.64 0.21 -0.07 0.66 -0.21 0.00 0.00 178.00 179.22 3faw h SER 592 N 0.32 0.00 0.92 -2.05 4.64 -1.96 -1.59 113.55 113.83 3faw h SER 592 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3faw h SER 592 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3faw h SER 592 CO -0.57 0.07 -0.15 0.00 -0.87 0.00 0.00 176.83 175.32 3faw n GLN 593 N -3.81 0.04 -4.08 4.77 6.02 -0.72 -4.91 117.38 114.69 3faw n GLN 593 Ca -0.02 0.03 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 3faw n GLN 593 Cb 0.17 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 29.83 3faw n GLN 593 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3faw s LEU 594 N -3.22 3.74 0.08 1.08 1.43 -0.60 -5.03 118.68 116.16 3faw s LEU 594 Ca 0.13 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3faw s LEU 594 Cb 0.18 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.99 3faw s LEU 594 CO 0.59 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.91 3faw n GLY 595 N 0.19 -1.43 3.69 -3.19 0.00 -1.26 -4.79 105.19 98.38 3faw n GLY 595 Ca -0.09 -1.45 -0.44 0.00 0.00 0.00 0.00 46.02 44.03 3faw n GLY 595 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3faw n PRO 596 N -1.76 2.48 0.05 1.61 -0.02 -1.26 -4.88 135.00 131.21 3faw n PRO 596 Ca 0.00 0.90 0.13 0.00 -2.02 0.00 0.00 63.50 62.51 3faw n PRO 596 Cb 0.15 -2.74 0.50 0.00 -0.02 0.00 0.00 33.50 31.39 3faw n PRO 596 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3faw n GLN 597 N 4.86 0.12 -0.79 -0.52 1.13 -1.26 -2.82 117.38 118.09 3faw n GLN 597 Ca 0.18 0.13 0.08 0.00 -1.94 0.00 0.00 57.00 55.45 3faw n GLN 597 Cb 0.33 -1.65 0.38 0.00 0.11 0.00 0.00 30.24 29.41 3faw n GLN 597 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3faw n ASN 598 N -1.86 5.34 -4.64 1.08 6.94 -1.26 -5.00 115.26 115.86 3faw n ASN 598 Ca 0.06 -2.79 -0.48 0.00 -0.02 0.00 0.00 54.58 51.35 3faw n ASN 598 Cb 0.36 -0.64 -0.05 0.00 -2.36 0.00 0.00 39.78 37.09 3faw n ASN 598 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3faw n LEU 599 N 0.71 2.56 -4.20 -4.53 7.94 -1.13 -4.97 117.00 113.38 3faw n LEU 599 Ca 0.27 1.10 -0.12 0.00 -1.11 0.00 0.00 56.01 56.15 3faw n LEU 599 Cb 1.09 -1.34 -0.10 0.00 0.53 0.00 0.00 43.42 43.60 3faw n LEU 599 CO 0.29 -0.58 -0.28 -0.44 -1.11 0.00 0.00 177.39 175.27 3faw s SER 600 N 0.71 0.51 0.89 1.96 0.01 -1.26 -4.98 113.70 111.54 3faw s SER 600 Ca 0.80 -1.29 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 3faw s SER 600 Cb -0.78 0.28 0.13 0.00 0.21 0.00 0.00 66.02 65.86 3faw s SER 600 CO 0.42 -0.74 1.09 -0.36 0.41 0.00 0.00 173.24 174.06 3faw s PHE 601 N -3.99 2.32 0.71 2.43 0.08 -1.26 -4.88 117.98 113.38 3faw s PHE 601 Ca 0.31 1.26 -0.16 0.00 0.12 0.00 0.00 56.93 58.47 3faw s PHE 601 Cb 0.07 -3.16 0.03 0.00 -0.57 0.00 0.00 43.02 39.39 3faw s PHE 601 CO 0.07 -2.39 1.22 0.00 -0.10 0.00 0.00 175.22 174.03 3faw s ALA 602 N -2.93 2.19 -0.60 5.36 0.00 -1.26 -5.00 121.76 119.52 3faw s ALA 602 Ca 0.63 0.96 0.04 0.00 0.00 0.00 0.00 51.96 53.59 3faw s ALA 602 Cb -0.18 -3.49 0.15 0.00 0.00 0.00 0.00 23.12 19.61 3faw s ALA 602 CO 0.57 -1.79 0.39 0.15 0.00 0.00 0.00 175.76 175.08 3faw s LYS 603 N -3.77 2.08 -0.18 0.00 1.02 -1.26 -5.08 119.74 112.54 3faw s LYS 603 Ca 0.76 -2.90 -0.20 0.00 0.02 0.00 0.00 55.97 53.65 3faw s LYS 603 Cb -0.31 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 3faw s LYS 603 CO 0.43 -1.23 0.59 0.42 -0.92 0.00 0.00 175.35 174.65 3faw s ILE 604 N -0.82 5.06 0.17 2.17 1.01 -1.26 -4.64 121.20 122.89 3faw s ILE 604 Ca 0.23 1.13 -0.31 0.00 0.00 0.00 0.00 60.65 61.69 3faw s ILE 604 Cb -0.12 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 3faw s ILE 604 CO -0.10 0.16 1.50 0.00 0.00 0.00 0.00 174.94 176.50 3faw s ALA 605 N 1.62 3.71 -1.49 9.38 0.00 -1.26 -3.16 121.76 130.55 3faw s ALA 605 Ca 0.28 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.43 3faw s ALA 605 Cb -0.16 -3.59 0.07 0.00 0.00 0.00 0.00 23.12 19.44 3faw s ALA 605 CO 0.11 -0.73 0.96 0.09 0.00 0.00 0.00 175.76 176.19 3faw n ASN 606 N 3.62 -4.45 -4.29 0.00 3.02 -1.26 -4.96 115.26 106.94 3faw n ASN 606 Ca 0.12 -0.77 -0.40 0.00 -0.03 0.00 0.00 54.58 53.50 3faw n ASN 606 Cb 0.40 -3.99 -0.11 0.00 -0.61 0.00 0.00 39.78 35.47 3faw n ASN 606 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3faw s PHE 607 N -3.35 3.31 -0.53 3.10 5.36 -1.19 -4.94 117.98 119.74 3faw s PHE 607 Ca 0.57 -1.42 0.05 0.00 -0.96 0.00 0.00 56.93 55.17 3faw s PHE 607 Cb -0.28 -2.77 0.09 0.00 -0.34 0.00 0.00 43.02 39.72 3faw s PHE 607 CO 0.82 -0.80 0.89 1.63 -1.46 0.00 0.00 175.22 176.31 3faw n LYS 608 N 4.91 1.34 0.00 10.12 5.02 -1.26 -4.99 118.16 133.30 3faw n LYS 608 Ca -0.11 -1.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 3faw n LYS 608 Cb 0.44 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 3faw n LYS 608 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3faw n GLY 609 N 0.13 1.25 0.30 0.72 0.00 -1.26 -5.01 105.19 101.32 3faw n GLY 609 Ca 0.04 -0.98 0.13 0.00 0.00 0.00 0.00 46.02 45.21 3faw n GLY 609 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3faw h ARG 610 N 0.00 0.00 0.00 1.61 0.11 -1.94 -0.78 114.38 113.38 3faw h ARG 610 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3faw h ARG 610 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3faw h ARG 610 CO 0.00 0.00 0.00 -0.56 0.10 0.00 0.00 179.97 179.51 3faw h GLN 611 N 0.00 0.00 -0.00 0.08 -0.00 -1.91 -2.81 115.11 110.47 3faw h GLN 611 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 3faw h GLN 611 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 3faw h GLN 611 CO -0.00 0.00 -0.34 -0.25 -0.00 0.00 0.00 178.83 178.24 3faw n ASP 612 N -2.39 0.63 -4.74 0.06 8.00 -0.30 -4.60 116.55 113.21 3faw n ASP 612 Ca 0.02 -0.44 -0.41 0.00 0.71 0.00 0.00 54.79 54.67 3faw n ASP 612 Cb 0.24 0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.42 3faw n ASP 612 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3faw s ALA 613 N -2.77 3.41 -0.32 2.24 0.00 -1.06 -4.94 121.76 118.31 3faw s ALA 613 Ca 0.18 0.90 0.03 0.00 0.00 0.00 0.00 51.96 53.07 3faw s ALA 613 Cb 0.18 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 20.01 3faw s ALA 613 CO 0.60 -0.31 0.04 0.08 0.00 0.00 0.00 175.76 176.17 3faw s VAL 614 N -0.12 2.02 -0.04 0.00 1.01 -1.26 -2.83 120.40 119.18 3faw s VAL 614 Ca 0.51 -2.09 -0.15 0.00 0.00 0.00 0.00 61.98 60.26 3faw s VAL 614 Cb -0.31 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 3faw s VAL 614 CO 0.36 -0.54 0.39 -0.63 0.00 0.00 0.00 175.10 174.68 3faw s ILE 615 N 1.05 5.11 -0.22 2.22 1.01 -0.35 -1.38 121.20 128.64 3faw s ILE 615 Ca 0.08 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.53 3faw s ILE 615 Cb -0.19 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.63 3faw s ILE 615 CO -0.10 0.53 -0.16 -0.47 0.00 0.00 0.00 174.94 174.74 3faw s TYR 616 N -0.67 3.02 -0.41 3.97 5.04 0.36 -0.30 117.35 128.36 3faw s TYR 616 Ca 0.23 -1.98 -0.19 0.00 -2.44 0.00 0.00 57.07 52.70 3faw s TYR 616 Cb -0.16 -1.93 0.02 0.00 0.35 0.00 0.00 41.96 40.24 3faw s TYR 616 CO 0.11 -0.84 0.52 -2.00 -1.34 0.00 0.00 175.55 172.00 3faw s GLU 617 N 1.20 3.27 0.05 4.97 2.12 -0.50 0.41 118.70 130.23 3faw s GLU 617 Ca -0.02 -0.50 0.06 0.00 0.36 0.00 0.00 54.97 54.87 3faw s GLU 617 Cb -0.16 -3.93 -0.03 0.00 0.26 0.00 0.00 34.13 30.27 3faw s GLU 617 CO -0.09 -0.86 -0.16 0.00 -0.54 0.00 0.00 175.26 173.61 3faw s ALA 618 N 2.42 1.39 -0.11 6.30 0.00 0.53 -1.02 121.76 131.26 3faw s ALA 618 Ca 0.17 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 3faw s ALA 618 Cb -0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3faw s ALA 618 CO 0.15 0.27 0.28 -1.58 0.00 0.00 0.00 175.76 174.88 3faw s HIS 619 N -0.95 3.57 0.31 0.00 2.46 -1.26 -1.78 115.29 117.64 3faw s HIS 619 Ca 0.03 0.68 0.01 0.00 0.47 0.00 0.00 55.06 56.24 3faw s HIS 619 Cb -0.09 -2.22 0.51 0.00 -0.13 0.00 0.00 32.58 30.66 3faw s HIS 619 CO 0.02 0.48 1.91 0.28 -2.47 0.00 0.00 174.74 174.95 3faw h VAL 620 N 4.24 1.20 0.45 0.89 2.07 -1.93 -2.25 116.25 120.93 3faw h VAL 620 Ca -0.47 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 3faw h VAL 620 Cb 1.20 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3faw h VAL 620 CO 0.67 0.24 -0.22 -0.09 0.02 0.00 0.00 177.57 178.20 3faw h ARG 621 N 0.80 -0.59 -0.82 1.57 9.65 -1.93 -3.33 114.38 119.73 3faw h ARG 621 Ca 0.19 0.04 0.20 0.00 -1.10 0.00 0.00 59.98 59.31 3faw h ARG 621 Cb 0.13 0.13 -0.12 0.00 -1.39 0.00 0.00 29.97 28.73 3faw h ARG 621 CO -0.02 -0.28 0.25 -0.44 2.80 0.00 0.00 179.97 182.28 3faw h ASP 622 N -0.92 0.09 0.77 -3.80 3.32 -1.73 -2.28 116.42 111.87 3faw h ASP 622 Ca -0.06 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3faw h ASP 622 Cb 0.58 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3faw h ASP 622 CO 0.10 -0.06 0.00 0.15 -1.72 0.00 0.00 179.24 177.71 3faw h PHE 623 N 0.29 0.00 0.00 4.55 3.57 -1.52 -0.10 116.94 123.73 3faw h PHE 623 Ca 0.49 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.94 3faw h PHE 623 Cb 0.90 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.53 3faw h PHE 623 CO -0.23 0.00 -0.64 0.25 -2.23 0.00 0.00 178.31 175.46 3faw n THR 624 N -2.68 0.00 1.29 4.41 -2.24 -1.01 -4.81 114.28 109.24 3faw n THR 624 Ca 0.01 -0.29 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 3faw n THR 624 Cb 0.24 0.63 0.36 0.00 -2.10 0.00 0.00 70.33 69.46 3faw n THR 624 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3faw n SER 625 N 0.15 1.69 -4.71 3.42 3.41 -0.89 -3.82 113.62 112.86 3faw n SER 625 Ca 0.01 -1.43 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 3faw n SER 625 Cb 0.83 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.83 3faw n SER 625 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3faw s ASP 626 N -2.18 6.39 0.55 4.04 -1.08 -1.26 -4.88 116.67 118.25 3faw s ASP 626 Ca 0.31 2.84 0.25 0.00 -0.52 0.00 0.00 52.55 55.42 3faw s ASP 626 Cb 0.20 -2.59 1.47 0.00 -1.46 0.00 0.00 42.92 40.54 3faw s ASP 626 CO 0.40 -0.99 2.06 1.56 0.52 0.00 0.00 175.17 178.72 3faw h GLN 627 N 7.46 0.00 -0.47 4.34 4.20 -1.94 -1.18 115.11 127.52 3faw h GLN 627 Ca -0.44 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.41 3faw h GLN 627 Cb 1.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 3faw h GLN 627 CO 0.96 0.00 0.36 1.03 -0.67 0.00 0.00 178.83 180.51 3faw h SER 628 N 0.00 0.00 0.66 1.46 0.87 -1.98 -1.90 113.55 112.66 3faw h SER 628 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3faw h SER 628 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3faw h SER 628 CO -0.00 0.00 -0.11 0.18 -0.53 0.00 0.00 176.83 176.37 3faw n LEU 629 N -4.26 0.20 -4.66 2.23 4.77 -0.45 -4.77 117.00 110.06 3faw n LEU 629 Ca 0.08 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.89 3faw n LEU 629 Cb 0.57 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3faw n LEU 629 CO 0.35 0.04 1.59 0.47 -1.33 0.00 0.00 177.39 178.52 3faw n ASP 630 N -1.31 4.16 0.00 -1.43 8.00 -0.72 -0.44 116.55 124.81 3faw n ASP 630 Ca 0.10 0.91 0.00 0.00 0.71 0.00 0.00 54.79 56.51 3faw n ASP 630 Cb 0.30 -1.53 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 3faw n ASP 630 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3faw n GLY 631 N 4.52 2.63 0.17 0.44 0.00 -1.26 -4.86 105.19 106.83 3faw n GLY 631 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3faw n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3faw h LYS 632 N 2.60 0.59 -5.27 1.61 1.57 -1.06 -3.47 116.57 113.14 3faw h LYS 632 Ca 0.00 -0.81 -0.63 0.00 -1.87 0.00 0.00 60.65 57.35 3faw h LYS 632 Cb 0.00 0.27 -0.19 0.00 0.08 0.00 0.00 32.23 32.40 3faw h LYS 632 CO 0.00 1.37 -0.61 -1.17 -0.57 0.00 0.00 179.45 178.47 3faw s LEU 633 N -7.88 3.57 0.36 2.94 2.96 -1.15 -4.94 118.68 114.54 3faw s LEU 633 Ca -0.10 -0.02 0.19 0.00 -0.22 0.00 0.00 54.13 53.98 3faw s LEU 633 Cb 0.05 -1.89 0.39 0.00 0.50 0.00 0.00 46.19 45.24 3faw s LEU 633 CO 0.92 0.16 1.60 0.50 -1.32 0.00 0.00 176.35 178.21 3faw h LYS 634 N 6.79 0.00 -5.92 1.98 1.63 -1.93 -3.46 116.57 115.65 3faw h LYS 634 Ca -0.35 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 58.89 3faw h LYS 634 Cb 1.18 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.73 3faw h LYS 634 CO 0.67 0.33 -0.46 -0.80 -3.45 0.00 0.00 179.45 175.74 3faw s ASN 635 N -6.33 4.54 0.29 4.20 0.01 -1.26 -5.10 114.94 111.30 3faw s ASN 635 Ca 0.03 -1.06 -0.29 0.00 -0.71 0.00 0.00 52.86 50.83 3faw s ASN 635 Cb 0.08 -0.37 -0.10 0.00 0.41 0.00 0.00 41.25 41.27 3faw s ASN 635 CO 0.70 -0.63 1.22 -1.58 -1.51 0.00 0.00 177.10 175.30 3faw s GLN 636 N -3.98 4.48 0.46 -0.60 0.74 -1.26 -4.82 119.66 114.68 3faw s GLN 636 Ca 0.40 2.02 -0.25 0.00 0.05 0.00 0.00 55.36 57.59 3faw s GLN 636 Cb 0.02 -3.14 -0.08 0.00 1.10 0.00 0.00 33.01 30.92 3faw s GLN 636 CO 0.23 -0.03 1.41 -0.48 -0.55 0.00 0.00 175.29 175.87 3faw s LEU 637 N -1.45 4.08 -0.75 3.68 0.05 -1.26 -3.32 118.68 119.71 3faw s LEU 637 Ca 0.48 2.88 0.00 0.00 0.05 0.00 0.00 54.13 57.54 3faw s LEU 637 Cb -0.36 -3.98 0.00 0.00 -2.05 0.00 0.00 46.19 39.80 3faw s LEU 637 CO 0.46 -1.22 0.00 0.61 -0.55 0.00 0.00 176.35 175.66 3faw n GLY 638 N 0.60 0.55 3.65 -3.48 0.00 -1.25 -4.98 105.19 100.29 3faw n GLY 638 Ca 0.06 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 3faw n GLY 638 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3faw s THR 639 N -2.33 2.58 0.25 2.61 -4.23 -1.21 -4.23 115.64 109.08 3faw s THR 639 Ca 0.00 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3faw s THR 639 Cb 0.00 -2.85 0.23 0.00 1.34 0.00 0.00 72.50 71.22 3faw s THR 639 CO 0.00 -0.16 1.83 -0.26 -0.54 0.00 0.00 174.62 175.49 3faw h PHE 640 N 1.73 0.97 -0.28 3.99 0.04 -1.63 -1.71 116.94 120.06 3faw h PHE 640 Ca -0.43 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.28 3faw h PHE 640 Cb 1.25 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 3faw h PHE 640 CO 0.69 0.42 -0.20 0.00 -0.60 0.00 0.00 178.31 178.62 3faw h ALA 641 N 1.46 1.15 -0.13 2.45 0.00 -1.83 -2.88 119.26 119.48 3faw h ALA 641 Ca 0.42 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3faw h ALA 641 Cb 0.34 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3faw h ALA 641 CO -0.23 0.54 -0.56 0.00 0.00 0.00 0.00 179.25 179.00 3faw h ALA 642 N 1.34 0.24 -0.87 0.00 0.00 -1.68 -3.28 119.26 115.02 3faw h ALA 642 Ca 0.07 -0.52 0.19 0.00 0.00 0.00 0.00 54.91 54.65 3faw h ALA 642 Cb 0.60 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 3faw h ALA 642 CO 0.04 0.46 0.41 0.35 0.00 0.00 0.00 179.25 180.51 3faw h PHE 643 N 0.25 0.70 0.00 0.00 3.57 -1.15 -0.21 116.94 120.09 3faw h PHE 643 Ca -0.03 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3faw h PHE 643 Cb 1.19 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 3faw h PHE 643 CO 0.10 0.06 -0.03 0.66 -2.23 0.00 0.00 178.31 176.87 3faw h SER 644 N 0.50 0.00 0.45 0.41 4.64 -1.57 -1.78 113.55 116.20 3faw h SER 644 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3faw h SER 644 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3faw h SER 644 CO -0.45 0.03 0.00 -0.62 -0.87 0.00 0.00 176.83 174.91 3faw n GLU 645 N -4.38 0.05 -0.06 4.77 1.02 -0.09 -2.89 120.64 119.06 3faw n GLU 645 Ca -0.03 0.23 0.06 0.00 -0.02 0.00 0.00 57.16 57.40 3faw n GLU 645 Cb 0.11 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.12 3faw n GLU 645 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3faw n LYS 646 N -1.45 1.79 0.15 3.49 4.76 -0.67 -4.74 118.16 121.49 3faw n LYS 646 Ca 0.04 -2.17 0.01 0.00 -2.87 0.00 0.00 58.31 53.33 3faw n LYS 646 Cb 0.16 -1.30 0.20 0.00 -1.84 0.00 0.00 35.03 32.24 3faw n LYS 646 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3faw h LEU 647 N 0.00 0.00 -0.80 -0.35 3.38 -1.55 -3.16 115.31 112.83 3faw h LEU 647 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3faw h LEU 647 Cb 0.85 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 3faw h LEU 647 CO 0.00 0.54 0.46 0.44 0.09 0.00 0.00 178.44 179.98 3faw h ASP 648 N 0.00 0.68 -0.53 -0.43 5.19 -1.85 0.26 116.42 119.74 3faw h ASP 648 Ca -0.01 0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.52 3faw h ASP 648 Cb 1.11 -0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.46 3faw h ASP 648 CO 0.07 0.41 0.17 0.22 -3.12 0.00 0.00 179.24 176.99 3faw h TYR 649 N 0.81 0.29 -0.07 4.55 3.20 -1.92 0.14 116.97 123.98 3faw h TYR 649 Ca 0.37 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 62.07 3faw h TYR 649 Cb 0.28 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3faw h TYR 649 CO -0.06 0.07 -0.77 -0.07 -1.64 0.00 0.00 178.16 175.69 3faw h LEU 650 N 0.34 0.52 -0.38 2.82 3.38 -1.45 0.78 115.31 121.31 3faw h LEU 650 Ca 0.26 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3faw h LEU 650 Cb 0.31 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3faw h LEU 650 CO -0.28 1.11 0.22 -0.61 0.09 0.00 0.00 178.44 178.96 3faw h GLN 651 N 0.28 0.44 -0.43 1.13 4.15 -0.21 -2.08 115.11 118.38 3faw h GLN 651 Ca -0.04 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.29 3faw h GLN 651 Cb 1.36 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 3faw h GLN 651 CO 0.13 0.29 0.03 0.87 -1.93 0.00 0.00 178.83 178.23 3faw h LYS 652 N 0.45 0.74 -0.87 1.69 1.57 -0.86 -3.04 116.57 116.24 3faw h LYS 652 Ca 0.15 -0.22 0.16 0.00 -1.87 0.00 0.00 60.65 58.87 3faw h LYS 652 Cb 0.01 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.14 3faw h LYS 652 CO -0.07 0.80 0.45 1.25 -0.57 0.00 0.00 179.45 181.31 3faw h LEU 653 N 0.59 0.53 0.00 2.94 5.85 -0.62 -3.47 115.31 121.14 3faw h LEU 653 Ca 0.13 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3faw h LEU 653 Cb 0.44 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3faw h LEU 653 CO 0.02 0.20 0.00 0.61 -0.34 0.00 0.00 178.44 178.93 3faw n GLY 654 N -1.33 0.95 3.74 3.75 0.00 -0.80 -4.58 105.19 106.92 3faw n GLY 654 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3faw n GLY 654 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3faw s VAL 655 N -2.00 2.49 -0.14 1.61 -7.23 -1.24 -4.93 120.40 108.95 3faw s VAL 655 Ca 0.00 0.27 -0.02 0.00 -1.81 0.00 0.00 61.98 60.42 3faw s VAL 655 Cb 0.00 -2.99 -0.24 0.00 0.56 0.00 0.00 36.38 33.71 3faw s VAL 655 CO 0.00 -0.09 0.28 0.35 -0.31 0.00 0.00 175.10 175.32 3faw n THR 656 N -2.07 1.70 -4.84 5.32 -2.24 -0.48 -4.86 114.28 106.80 3faw n THR 656 Ca 0.14 -0.66 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 3faw n THR 656 Cb 0.50 -1.55 -0.16 0.00 -2.10 0.00 0.00 70.33 67.01 3faw n THR 656 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3faw s HIS 657 N -2.55 1.78 -0.32 4.78 3.76 -1.06 0.03 115.29 121.71 3faw s HIS 657 Ca -0.22 -0.56 -0.12 0.00 -0.15 0.00 0.00 55.06 54.00 3faw s HIS 657 Cb 0.07 -1.21 -0.02 0.00 1.11 0.00 0.00 32.58 32.53 3faw s HIS 657 CO 0.75 -0.21 0.22 0.42 -0.85 0.00 0.00 174.74 175.06 3faw s ILE 658 N 0.17 5.22 -0.23 0.60 1.01 0.46 -0.49 121.20 127.95 3faw s ILE 658 Ca -0.07 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 3faw s ILE 658 Cb -0.13 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3faw s ILE 658 CO 0.03 0.07 0.42 -1.58 0.00 0.00 0.00 174.94 173.88 3faw s GLN 659 N 1.72 4.12 -0.19 2.79 0.74 0.17 -0.67 119.66 128.34 3faw s GLN 659 Ca 0.06 0.20 -0.08 0.00 0.05 0.00 0.00 55.36 55.59 3faw s GLN 659 Cb -0.17 -3.58 -0.04 0.00 1.10 0.00 0.00 33.01 30.31 3faw s GLN 659 CO 0.10 -0.15 0.09 -0.51 -0.55 0.00 0.00 175.29 174.27 3faw s LEU 660 N 1.67 3.94 0.93 3.68 1.43 -0.32 -0.35 118.68 129.66 3faw s LEU 660 Ca 0.19 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 3faw s LEU 660 Cb -0.15 -2.01 0.09 0.00 0.03 0.00 0.00 46.19 44.15 3faw s LEU 660 CO 0.09 0.16 0.77 0.18 0.23 0.00 0.00 176.35 177.78 3faw n LEU 661 N 3.63 1.55 -4.31 1.79 4.32 -0.73 -1.57 117.00 121.69 3faw n LEU 661 Ca -0.16 0.38 -0.57 0.00 -0.02 0.00 0.00 56.01 55.64 3faw n LEU 661 Cb 0.52 -1.34 -0.11 0.00 -1.62 0.00 0.00 43.42 40.87 3faw n LEU 661 CO 0.36 -2.90 1.76 -2.65 -1.22 0.00 0.00 177.39 172.74 3faw n PRO 662 N -2.92 0.30 0.01 3.23 -0.02 -1.26 -4.72 135.00 129.62 3faw n PRO 662 Ca 0.09 0.08 0.11 0.00 -2.02 0.00 0.00 63.50 61.77 3faw n PRO 662 Cb 0.53 -1.77 0.07 0.00 -0.02 0.00 0.00 33.50 32.31 3faw n PRO 662 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3faw n VAL 663 N 6.72 0.04 -1.70 -1.45 0.24 -1.26 -4.73 118.33 116.19 3faw n VAL 663 Ca 0.51 -0.07 -0.32 0.00 -2.04 0.00 0.00 64.34 62.43 3faw n VAL 663 Cb 0.04 0.47 0.04 0.00 -1.47 0.00 0.00 33.84 32.92 3faw n VAL 663 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3faw s LEU 664 N -3.25 3.28 0.11 1.34 1.43 -1.26 -0.31 118.68 120.02 3faw s LEU 664 Ca 0.08 1.79 -0.33 0.00 -1.03 0.00 0.00 54.13 54.64 3faw s LEU 664 Cb 0.16 -4.52 -0.12 0.00 0.03 0.00 0.00 46.19 41.74 3faw s LEU 664 CO 0.78 -1.49 1.74 -0.24 0.23 0.00 0.00 176.35 177.37 3faw n SER 665 N -2.71 3.61 -4.51 2.29 2.88 -0.09 -4.20 113.62 110.89 3faw n SER 665 Ca 0.09 1.03 -0.25 0.00 -1.33 0.00 0.00 58.87 58.41 3faw n SER 665 Cb 0.53 -1.48 -0.10 0.00 -0.75 0.00 0.00 64.21 62.41 3faw n SER 665 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3faw s TYR 666 N 2.11 2.43 -0.15 0.66 -0.85 -1.26 -0.59 117.35 119.70 3faw s TYR 666 Ca 0.82 -0.30 -0.17 0.00 -0.52 0.00 0.00 57.07 56.90 3faw s TYR 666 Cb -0.59 -1.11 -0.14 0.00 0.38 0.00 0.00 41.96 40.50 3faw s TYR 666 CO 0.39 0.62 0.26 0.35 -1.52 0.00 0.00 175.55 175.65 3faw h PHE 667 N 2.49 0.00 -1.04 -3.49 3.57 -1.17 -3.43 116.94 113.87 3faw h PHE 667 Ca -0.43 0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.49 3faw h PHE 667 Cb 1.24 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.89 3faw h PHE 667 CO 0.73 0.74 1.52 0.71 -2.23 0.00 0.00 178.31 179.78 3faw s TYR 668 N -2.12 2.50 -0.11 0.41 1.51 -1.26 -4.44 117.35 113.83 3faw s TYR 668 Ca -0.17 -0.80 -0.30 0.00 -1.01 0.00 0.00 57.07 54.79 3faw s TYR 668 Cb 0.01 -4.65 0.12 0.00 -0.11 0.00 0.00 41.96 37.34 3faw s TYR 668 CO 0.43 -1.90 0.97 0.54 -1.11 0.00 0.00 175.55 174.48 3faw s VAL 669 N 5.38 0.00 -0.32 0.71 0.11 -1.26 -4.84 120.40 120.17 3faw s VAL 669 Ca 0.49 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.57 3faw s VAL 669 Cb -0.00 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.94 3faw s VAL 669 CO -0.07 0.00 0.02 0.21 -3.33 0.00 0.00 175.10 171.93 3faw s ASN 670 N -1.58 4.73 0.09 3.54 2.47 -1.26 -1.34 114.94 121.59 3faw s ASN 670 Ca 0.01 -1.94 0.23 0.00 0.42 0.00 0.00 52.86 51.57 3faw s ASN 670 Cb -0.01 -1.63 0.91 0.00 -1.45 0.00 0.00 41.25 39.07 3faw s ASN 670 CO -0.02 -0.34 1.70 -0.62 -3.72 0.00 0.00 177.10 174.10 3faw n GLU 671 N 4.33 0.08 0.00 0.43 1.02 -0.32 -2.42 120.64 123.76 3faw n GLU 671 Ca -0.01 0.21 0.14 0.00 -0.02 0.00 0.00 57.16 57.48 3faw n GLU 671 Cb 0.42 -1.63 0.61 0.00 -0.02 0.00 0.00 31.44 30.82 3faw n GLU 671 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3faw n MET 672 N -1.78 1.37 -3.87 3.49 2.81 -1.26 -4.64 117.12 113.23 3faw n MET 672 Ca 0.05 -0.66 -0.34 0.00 -1.81 0.00 0.00 57.70 54.94 3faw n MET 672 Cb 0.28 -1.49 -0.13 0.00 -0.71 0.00 0.00 33.22 31.17 3faw n MET 672 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3faw s ASP 673 N -2.09 5.06 0.00 7.83 2.15 -1.02 -4.94 116.67 123.67 3faw s ASP 673 Ca 0.38 -2.06 0.21 0.00 0.43 0.00 0.00 52.55 51.51 3faw s ASP 673 Cb 0.21 -1.75 0.57 0.00 -0.30 0.00 0.00 42.92 41.66 3faw s ASP 673 CO 0.37 -0.47 1.48 0.29 -0.17 0.00 0.00 175.17 176.67 3faw n LYS 674 N 4.46 2.52 -1.97 4.34 5.02 -1.26 -4.92 118.16 126.35 3faw n LYS 674 Ca -0.00 -2.35 -0.39 0.00 -2.02 0.00 0.00 58.31 53.54 3faw n LYS 674 Cb 0.42 -1.51 0.01 0.00 -0.02 0.00 0.00 35.03 33.92 3faw n LYS 674 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3faw s SER 675 N -1.07 6.04 0.12 4.39 1.04 -1.26 -4.97 113.70 118.00 3faw s SER 675 Ca 0.44 2.70 -0.30 0.00 0.48 0.00 0.00 55.95 59.26 3faw s SER 675 Cb 0.23 -2.64 -0.07 0.00 0.10 0.00 0.00 66.02 63.64 3faw s SER 675 CO 0.30 -1.04 1.20 -0.60 0.98 0.00 0.00 173.24 174.09 3faw s ARG 676 N -2.43 4.46 -0.45 4.02 3.52 -1.26 -5.01 118.95 121.80 3faw s ARG 676 Ca 0.61 1.82 -0.21 0.00 -0.13 0.00 0.00 55.73 57.82 3faw s ARG 676 Cb -0.39 -3.30 0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3faw s ARG 676 CO 0.49 -0.18 0.65 -1.54 -0.81 0.00 0.00 175.30 173.92 3faw s SER 677 N 0.62 6.31 -0.04 -2.12 1.04 -1.26 -4.93 113.70 113.32 3faw s SER 677 Ca 0.56 -0.42 0.20 0.00 0.48 0.00 0.00 55.95 56.77 3faw s SER 677 Cb -0.31 -2.32 -0.24 0.00 0.10 0.00 0.00 66.02 63.25 3faw s SER 677 CO 0.32 -0.82 0.49 0.35 0.98 0.00 0.00 173.24 174.57 3faw n THR 678 N 5.84 0.68 -2.31 2.02 -2.24 -1.26 -2.24 114.28 114.76 3faw n THR 678 Ca -0.02 -0.64 -0.37 0.00 -2.27 0.00 0.00 64.05 60.74 3faw n THR 678 Cb 0.47 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 3faw n THR 678 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3faw s ALA 679 N -3.10 3.06 -0.63 6.98 0.00 -1.26 -4.67 121.76 122.13 3faw s ALA 679 Ca -0.07 0.91 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 3faw s ALA 679 Cb 0.10 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.90 3faw s ALA 679 CO 0.86 -0.54 1.06 0.71 0.00 0.00 0.00 175.76 177.85 3faw s TYR 680 N -1.52 2.61 0.09 0.00 2.02 -1.26 -4.53 117.35 114.76 3faw s TYR 680 Ca 0.60 -0.13 0.02 0.00 -0.37 0.00 0.00 57.07 57.19 3faw s TYR 680 Cb -0.28 -4.33 -0.04 0.00 -0.40 0.00 0.00 41.96 36.90 3faw s TYR 680 CO 0.35 -1.65 -0.07 0.95 -1.57 0.00 0.00 175.55 173.56 3faw s THR 681 N 4.55 0.70 -0.49 -0.71 -4.23 -1.26 -4.55 115.64 109.65 3faw s THR 681 Ca 0.31 -1.75 0.08 0.00 -1.18 0.00 0.00 61.69 59.14 3faw s THR 681 Cb -0.12 -1.46 0.21 0.00 1.34 0.00 0.00 72.50 72.47 3faw s THR 681 CO 0.16 -0.75 1.17 -1.54 -0.54 0.00 0.00 174.62 173.12 3faw n SER 682 N 0.29 2.62 -3.63 3.99 3.41 -1.26 -1.91 113.62 117.13 3faw n SER 682 Ca -0.14 -2.13 -0.12 0.00 -0.26 0.00 0.00 58.87 56.22 3faw n SER 682 Cb 0.59 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 3faw n SER 682 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3faw s SER 683 N -1.16 -0.29 -1.05 4.04 0.01 -0.93 -4.16 113.70 110.16 3faw s SER 683 Ca 0.16 -0.15 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 3faw s SER 683 Cb 0.10 0.47 -0.00 0.00 0.21 0.00 0.00 66.02 66.79 3faw s SER 683 CO 0.09 -0.79 0.88 -0.67 0.41 0.00 0.00 173.24 173.16 3faw n ASP 684 N 0.06 -2.35 -4.36 2.44 2.03 -1.24 -4.89 116.55 108.23 3faw n ASP 684 Ca -0.17 -0.56 -0.29 0.00 0.52 0.00 0.00 54.79 54.30 3faw n ASP 684 Cb 0.62 -4.61 -0.13 0.00 -0.72 0.00 0.00 41.12 36.28 3faw n ASP 684 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3faw s ASN 685 N -4.14 3.16 0.60 1.67 0.01 -1.25 -5.01 114.94 109.98 3faw s ASN 685 Ca 0.03 -0.70 0.33 0.00 -0.71 0.00 0.00 52.86 51.82 3faw s ASN 685 Cb -0.00 -0.23 1.92 0.00 0.41 0.00 0.00 41.25 43.35 3faw s ASN 685 CO 0.65 0.19 2.26 -1.13 -1.51 0.00 0.00 177.10 177.55 3faw h ASN 686 N 4.16 0.00 -2.49 -1.22 -1.24 -1.93 -3.43 115.58 109.44 3faw h ASN 686 Ca -0.49 0.00 -0.60 0.00 0.71 0.00 0.00 56.30 55.92 3faw h ASN 686 Cb 1.16 0.00 0.13 0.00 0.73 0.00 0.00 38.32 40.34 3faw h ASN 686 CO 0.40 0.02 -0.06 0.00 -1.29 0.00 0.00 177.43 176.50 3faw n TYR 687 N -3.61 0.60 -3.66 0.67 9.36 -1.26 -4.71 117.16 114.55 3faw n TYR 687 Ca -0.03 0.65 -0.08 0.00 3.32 0.00 0.00 57.90 61.76 3faw n TYR 687 Cb 0.11 -2.15 -0.08 0.00 -0.63 0.00 0.00 39.34 36.59 3faw n TYR 687 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3faw s ASN 688 N -0.76 -0.80 0.23 2.98 3.84 -1.26 -4.66 114.94 114.52 3faw s ASN 688 Ca 0.62 1.31 -0.08 0.00 0.21 0.00 0.00 52.86 54.91 3faw s ASN 688 Cb -0.65 1.19 0.21 0.00 -0.55 0.00 0.00 41.25 41.45 3faw s ASN 688 CO 0.58 -0.22 1.91 -0.50 -2.79 0.00 0.00 177.10 176.07 3faw h TRP 689 N 6.97 1.11 0.00 0.43 6.55 -1.90 -3.47 115.95 125.64 3faw h TRP 689 Ca -0.32 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.55 3faw h TRP 689 Cb 1.21 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 29.14 3faw h TRP 689 CO 0.12 0.70 0.00 0.41 -1.05 0.00 0.00 178.44 178.62 3faw n GLY 690 N -1.34 1.74 1.98 1.49 0.00 -1.26 -3.97 105.19 103.82 3faw n GLY 690 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3faw n GLY 690 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3faw n TYR 691 N -0.23 1.91 -3.30 1.61 4.01 -1.26 -4.38 117.16 115.51 3faw n TYR 691 Ca 0.00 -2.18 -0.25 0.00 -0.16 0.00 0.00 57.90 55.30 3faw n TYR 691 Cb 0.00 -1.06 -0.07 0.00 -0.31 0.00 0.00 39.34 37.90 3faw n TYR 691 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3faw n ASP 692 N 0.06 2.09 -4.71 7.72 8.00 -1.26 -4.94 116.55 123.51 3faw n ASP 692 Ca 0.37 -3.10 -0.42 0.00 0.71 0.00 0.00 54.79 52.35 3faw n ASP 692 Cb 0.61 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 3faw n ASP 692 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3faw s PRO 693 N -1.91 4.15 -0.19 -0.24 0.02 -1.26 -0.62 135.00 134.95 3faw s PRO 693 Ca 0.38 2.53 -0.01 0.00 0.02 0.00 0.00 61.00 63.91 3faw s PRO 693 Cb 0.16 -3.18 -0.11 0.00 0.02 0.00 0.00 34.50 31.39 3faw s PRO 693 CO -0.06 -0.72 -0.18 0.94 -0.33 0.00 0.00 177.00 176.65 3faw n GLN 694 N 4.26 0.45 -4.13 5.54 7.27 0.24 -0.72 117.38 130.29 3faw n GLN 694 Ca 0.16 0.12 -0.15 0.00 0.07 0.00 0.00 57.00 57.20 3faw n GLN 694 Cb 0.37 -1.33 -0.11 0.00 2.41 0.00 0.00 30.24 31.57 3faw n GLN 694 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3faw s SER 695 N -6.00 1.29 0.00 1.69 0.15 -1.03 -5.01 113.70 104.79 3faw s SER 695 Ca -0.25 -0.68 0.13 0.00 0.70 0.00 0.00 55.95 55.85 3faw s SER 695 Cb 0.07 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 3faw s SER 695 CO 0.41 -0.20 0.69 -1.22 1.20 0.00 0.00 173.24 174.12 3faw n TYR 696 N 1.05 0.00 -0.03 3.44 4.01 -1.26 -3.91 117.16 120.45 3faw n TYR 696 Ca -0.20 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.51 3faw n TYR 696 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.56 3faw n TYR 696 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3faw n PHE 697 N -0.49 0.00 -3.00 -0.72 3.72 -1.26 -4.80 117.46 110.91 3faw n PHE 697 Ca 0.05 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.05 3faw n PHE 697 Cb 0.25 -0.19 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 3faw n PHE 697 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3faw s ALA 698 N -2.10 3.32 0.63 4.37 0.00 -0.95 -4.78 121.76 122.26 3faw s ALA 698 Ca -0.07 0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.92 3faw s ALA 698 Cb 0.02 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 3faw s ALA 698 CO 0.12 -0.14 1.09 -0.51 0.00 0.00 0.00 175.76 176.32 3faw s LEU 699 N 0.88 3.43 0.40 0.00 1.43 -1.26 -0.91 118.68 122.65 3faw s LEU 699 Ca 0.39 1.93 -0.25 0.00 -1.03 0.00 0.00 54.13 55.17 3faw s LEU 699 Cb -0.18 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.41 3faw s LEU 699 CO 0.19 -1.46 1.22 -0.55 0.23 0.00 0.00 176.35 175.98 3faw s SER 700 N -2.67 6.42 0.00 2.29 0.15 0.57 -4.23 113.70 116.24 3faw s SER 700 Ca 0.66 2.46 0.29 0.00 0.70 0.00 0.00 55.95 60.06 3faw s SER 700 Cb -0.19 -2.62 1.26 0.00 -1.71 0.00 0.00 66.02 62.76 3faw s SER 700 CO 0.40 -0.76 1.90 0.61 1.20 0.00 0.00 173.24 176.59 3faw n GLY 701 N 0.66 -1.16 0.22 9.45 0.00 -1.26 -4.19 105.19 108.91 3faw n GLY 701 Ca 0.04 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.90 3faw n GLY 701 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3faw h MET 702 N 0.25 0.00 -0.61 1.61 1.85 -1.92 -2.87 114.93 113.24 3faw h MET 702 Ca 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3faw h MET 702 Cb 0.37 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.40 3faw h MET 702 CO 0.00 0.20 0.00 0.66 -0.40 0.00 0.00 176.91 177.37 3faw n TYR 703 N -4.30 1.16 -4.00 1.39 4.01 -1.26 -4.83 117.16 109.32 3faw n TYR 703 Ca -0.02 -0.58 -0.36 0.00 -0.16 0.00 0.00 57.90 56.78 3faw n TYR 703 Cb 0.26 -0.14 -0.07 0.00 -0.31 0.00 0.00 39.34 39.08 3faw n TYR 703 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3faw s SER 704 N -1.01 6.09 0.41 7.72 0.15 -1.08 -1.54 113.70 124.43 3faw s SER 704 Ca 0.46 0.36 0.21 0.00 0.70 0.00 0.00 55.95 57.68 3faw s SER 704 Cb 0.28 -1.90 0.81 0.00 -1.71 0.00 0.00 66.02 63.50 3faw s SER 704 CO 0.25 0.37 1.79 -0.33 1.20 0.00 0.00 173.24 176.52 3faw h GLU 705 N 4.79 0.00 -2.12 5.44 5.08 -1.92 -3.36 114.58 122.49 3faw h GLU 705 Ca -0.53 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.25 3faw h GLU 705 Cb 1.21 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.06 3faw h GLU 705 CO 0.59 0.29 -0.84 1.63 -1.00 0.00 0.00 179.01 179.69 3faw n LYS 706 N -3.47 1.64 0.29 2.33 5.02 -1.26 -4.97 118.16 117.74 3faw n LYS 706 Ca -0.00 -3.97 0.15 0.00 -2.02 0.00 0.00 58.31 52.47 3faw n LYS 706 Cb 0.46 -1.76 0.91 0.00 -0.02 0.00 0.00 35.03 34.62 3faw n LYS 706 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3faw h PRO 707 N 4.14 0.00 0.00 1.97 0.13 -1.81 -1.34 132.00 135.10 3faw h PRO 707 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3faw h PRO 707 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3faw h PRO 707 CO 0.65 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.05 3faw n LYS 708 N -3.85 0.10 -3.56 0.86 5.02 -1.26 -3.54 118.16 111.93 3faw n LYS 708 Ca -0.03 0.20 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 3faw n LYS 708 Cb 0.09 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.36 3faw n LYS 708 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3faw s ASP 709 N -3.60 5.79 0.42 4.39 -1.08 -0.50 -4.81 116.67 117.28 3faw s ASP 709 Ca 0.10 -1.21 0.30 0.00 -0.52 0.00 0.00 52.55 51.21 3faw s ASP 709 Cb 0.13 -2.05 1.27 0.00 -1.46 0.00 0.00 42.92 40.82 3faw s ASP 709 CO 0.45 -0.48 1.88 1.55 0.52 0.00 0.00 175.17 179.09 3faw h PRO 710 N 8.49 0.00 0.00 4.34 0.13 -1.79 -2.48 132.00 140.69 3faw h PRO 710 Ca -0.25 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.74 3faw h PRO 710 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3faw h PRO 710 CO 0.73 0.00 -0.66 0.77 -0.23 0.00 0.00 178.00 178.61 3faw h SER 711 N 0.00 0.00 0.12 1.44 0.02 -1.93 -3.38 113.55 109.82 3faw h SER 711 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3faw h SER 711 Cb 0.38 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 3faw h SER 711 CO 0.00 0.66 -0.08 0.00 -1.14 0.00 0.00 176.83 176.27 3faw h ALA 712 N 1.34 -0.19 -0.38 3.77 0.00 -1.73 -2.77 119.26 119.29 3faw h ALA 712 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3faw h ALA 712 Cb 1.44 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3faw h ALA 712 CO 0.09 -0.62 0.25 0.07 0.00 0.00 0.00 179.25 179.04 3faw h ARG 713 N -0.21 0.43 -0.22 0.00 0.11 -1.74 0.47 114.38 113.21 3faw h ARG 713 Ca -0.01 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 3faw h ARG 713 Cb 0.18 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 3faw h ARG 713 CO 0.00 0.29 0.02 0.82 0.10 0.00 0.00 179.97 181.20 3faw h ILE 714 N 0.45 1.24 -0.65 0.08 2.04 -1.74 -1.13 117.51 117.80 3faw h ILE 714 Ca 0.15 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 3faw h ILE 714 Cb 0.05 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3faw h ILE 714 CO -0.03 0.26 0.12 0.00 0.00 0.00 0.00 178.15 178.49 3faw h ALA 715 N 0.82 0.98 -0.40 1.87 0.00 -0.93 -2.30 119.26 119.30 3faw h ALA 715 Ca 0.07 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3faw h ALA 715 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3faw h ALA 715 CO 0.01 0.65 -0.31 0.93 0.00 0.00 0.00 179.25 180.53 3faw h GLU 716 N 0.99 0.88 -0.20 0.00 5.08 -0.03 -1.78 114.58 119.52 3faw h GLU 716 Ca 0.20 -0.42 -0.19 0.00 -1.00 0.00 0.00 59.36 57.95 3faw h GLU 716 Cb 0.41 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.65 3faw h GLU 716 CO 0.01 1.06 -0.64 1.25 -1.00 0.00 0.00 179.01 179.70 3faw h LEU 717 N 0.74 0.91 -0.99 1.33 5.85 -1.20 -2.41 115.31 119.54 3faw h LEU 717 Ca 0.08 -0.59 0.05 0.00 0.84 0.00 0.00 57.88 58.26 3faw h LEU 717 Cb 0.87 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3faw h LEU 717 CO 0.08 1.34 0.64 0.11 -0.34 0.00 0.00 178.44 180.27 3faw h LYS 718 N 0.53 1.18 -0.19 1.25 1.57 -1.40 -1.08 116.57 118.43 3faw h LYS 718 Ca -0.02 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3faw h LYS 718 Cb 1.26 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3faw h LYS 718 CO 0.14 0.78 -0.08 0.37 -0.57 0.00 0.00 179.45 180.08 3faw h GLN 719 N 1.22 0.40 -0.67 3.15 5.75 -1.28 0.04 115.11 123.71 3faw h GLN 719 Ca 0.40 -0.17 0.08 0.00 -0.15 0.00 0.00 58.65 58.81 3faw h GLN 719 Cb 0.06 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.53 3faw h GLN 719 CO -0.14 0.69 0.34 1.25 -2.65 0.00 0.00 178.83 178.32 3faw h LEU 720 N 0.09 0.47 -0.57 -2.39 5.85 -1.29 0.67 115.31 118.15 3faw h LEU 720 Ca 0.04 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 3faw h LEU 720 Cb 0.56 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3faw h LEU 720 CO 0.03 0.29 -0.24 0.40 -0.34 0.00 0.00 178.44 178.57 3faw h ILE 721 N 0.61 1.27 -0.78 4.05 2.04 -1.00 0.46 117.51 124.16 3faw h ILE 721 Ca 0.32 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 3faw h ILE 721 Cb 0.28 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3faw h ILE 721 CO -0.23 0.47 0.33 -0.74 0.00 0.00 0.00 178.15 177.98 3faw h HIS 722 N 0.76 1.17 -0.22 1.37 2.76 -0.71 -0.69 115.15 119.59 3faw h HIS 722 Ca 0.10 -0.08 -0.10 0.00 -2.20 0.00 0.00 60.37 58.09 3faw h HIS 722 Cb 0.79 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 3faw h HIS 722 CO 0.05 0.88 -0.30 -0.44 -1.30 0.00 0.00 177.93 176.82 3faw h ASP 723 N 1.13 0.45 -0.16 3.26 3.32 -0.43 -1.33 116.42 122.66 3faw h ASP 723 Ca 0.26 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3faw h ASP 723 Cb 0.19 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3faw h ASP 723 CO -0.02 0.73 0.01 0.40 -1.72 0.00 0.00 179.24 178.63 3faw h ILE 724 N 0.38 1.24 -0.64 0.35 2.04 -0.61 -3.21 117.51 117.06 3faw h ILE 724 Ca 0.05 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 3faw h ILE 724 Cb 0.72 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3faw h ILE 724 CO 0.06 0.24 0.24 0.45 0.00 0.00 0.00 178.15 179.14 3faw h HIS 725 N 0.03 0.96 -0.37 1.37 3.86 -0.99 -1.84 115.15 118.18 3faw h HIS 725 Ca 0.05 -0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 3faw h HIS 725 Cb 0.35 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3faw h HIS 725 CO 0.03 0.74 0.26 -0.22 0.86 0.00 0.00 177.93 179.60 3faw h LYS 726 N 0.93 0.07 -0.67 2.45 3.64 -1.27 -2.18 116.57 119.52 3faw h LYS 726 Ca 0.22 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3faw h LYS 726 Cb 0.20 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3faw h LYS 726 CO -0.02 0.04 0.00 0.54 -2.27 0.00 0.00 179.45 177.75 3faw n ARG 727 N -4.45 4.12 -1.12 1.90 1.74 -0.71 -4.91 116.66 113.23 3faw n ARG 727 Ca 0.05 -2.51 -0.04 0.00 -0.77 0.00 0.00 57.85 54.58 3faw n ARG 727 Cb 0.40 -2.12 -0.02 0.00 -1.02 0.00 0.00 32.46 29.70 3faw n ARG 727 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3faw n GLY 728 N 0.49 0.69 3.77 -0.13 0.00 -0.82 -4.90 105.19 104.30 3faw n GLY 728 Ca 0.22 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 3faw n GLY 728 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3faw s MET 729 N -1.90 2.25 0.33 1.61 -1.94 -1.11 -4.40 119.30 114.15 3faw s MET 729 Ca 0.00 -1.87 0.07 0.00 -1.71 0.00 0.00 55.69 52.18 3faw s MET 729 Cb 0.00 -2.00 -0.07 0.00 2.01 0.00 0.00 34.83 34.77 3faw s MET 729 CO 0.00 -0.20 -0.04 0.20 -0.01 0.00 0.00 175.02 174.97 3faw s GLY 730 N -3.97 2.12 -0.03 -0.03 0.00 0.11 -3.87 107.32 101.64 3faw s GLY 730 Ca 0.39 -2.07 0.07 0.00 0.00 0.00 0.00 44.72 43.11 3faw s GLY 730 CO 0.22 -1.95 -0.23 0.54 0.00 0.00 0.00 173.10 171.68 3faw s VAL 731 N -2.85 2.34 -0.07 1.40 0.11 -1.26 -0.40 120.40 119.67 3faw s VAL 731 Ca 0.32 -1.00 0.04 0.00 -2.93 0.00 0.00 61.98 58.42 3faw s VAL 731 Cb 0.05 -1.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.06 3faw s VAL 731 CO 0.15 0.58 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.69 3faw s ILE 732 N -0.61 1.59 -0.21 7.04 1.01 0.16 -1.50 121.20 128.68 3faw s ILE 732 Ca 0.10 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 3faw s ILE 732 Cb -0.10 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 3faw s ILE 732 CO -0.00 0.45 0.12 -0.76 0.00 0.00 0.00 174.94 174.75 3faw s LEU 733 N 0.27 4.06 0.03 2.97 1.43 -0.79 -1.17 118.68 125.47 3faw s LEU 733 Ca -0.11 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 3faw s LEU 733 Cb -0.15 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 3faw s LEU 733 CO 0.05 0.13 1.28 -0.62 0.23 0.00 0.00 176.35 177.42 3faw s ASP 734 N 0.63 6.98 0.03 2.29 -1.08 -0.61 -1.00 116.67 123.91 3faw s ASP 734 Ca 0.07 2.04 0.04 0.00 -0.52 0.00 0.00 52.55 54.17 3faw s ASP 734 Cb -0.12 -2.57 -0.02 0.00 -1.46 0.00 0.00 42.92 38.75 3faw s ASP 734 CO 0.01 -0.59 -0.11 0.68 0.52 0.00 0.00 175.17 175.68 3faw s VAL 735 N 1.68 0.87 -0.49 1.11 -7.23 -0.04 -4.15 120.40 112.14 3faw s VAL 735 Ca 0.60 -0.86 0.08 0.00 -1.81 0.00 0.00 61.98 59.99 3faw s VAL 735 Cb -0.30 -0.81 0.30 0.00 0.56 0.00 0.00 36.38 36.14 3faw s VAL 735 CO 0.27 -0.04 0.75 0.52 -0.31 0.00 0.00 175.10 176.29 3faw n VAL 736 N 2.03 1.15 1.19 1.32 0.31 -1.26 -1.59 118.33 121.48 3faw n VAL 736 Ca -0.18 -4.88 0.14 0.00 -0.01 0.00 0.00 64.34 59.42 3faw n VAL 736 Cb 0.55 -1.33 0.62 0.00 -0.91 0.00 0.00 33.84 32.77 3faw n VAL 736 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3faw n TYR 737 N 0.50 0.00 0.04 3.52 4.01 -1.26 -3.92 117.16 120.04 3faw n TYR 737 Ca 0.27 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.98 3faw n TYR 737 Cb 0.50 -0.36 0.22 0.00 -0.31 0.00 0.00 39.34 39.40 3faw n TYR 737 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 3faw h ASN 738 N 0.09 0.42 -5.09 7.72 7.08 -1.88 -3.38 115.58 120.55 3faw h ASN 738 Ca 0.00 -0.14 -0.07 0.00 -3.08 0.00 0.00 56.30 53.01 3faw h ASN 738 Cb 0.41 -0.12 -0.14 0.00 -2.08 0.00 0.00 38.32 36.40 3faw h ASN 738 CO 0.00 0.68 -0.17 -1.38 -2.08 0.00 0.00 177.43 174.47 3faw s HIS 739 N -4.48 -0.10 0.32 4.14 -3.43 -1.25 -3.36 115.29 107.13 3faw s HIS 739 Ca -0.06 -0.21 0.07 0.00 -0.80 0.00 0.00 55.06 54.06 3faw s HIS 739 Cb 0.14 0.15 -0.03 0.00 -1.43 0.00 0.00 32.58 31.41 3faw s HIS 739 CO 0.78 -0.63 0.27 0.95 -2.00 0.00 0.00 174.74 174.11 3faw s THR 740 N -3.61 3.64 0.23 -5.38 -4.23 -0.58 -4.42 115.64 101.29 3faw s THR 740 Ca 0.02 -1.40 -0.03 0.00 -1.18 0.00 0.00 61.69 59.10 3faw s THR 740 Cb 0.02 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.70 3faw s THR 740 CO -0.10 -0.20 1.65 0.00 -0.54 0.00 0.00 174.62 175.42 3faw h ALA 741 N 1.31 0.92 -3.51 3.99 0.00 -1.13 -3.24 119.26 117.60 3faw h ALA 741 Ca -0.45 -0.36 -0.32 0.00 0.00 0.00 0.00 54.91 53.77 3faw h ALA 741 Cb 1.25 -0.15 -0.34 0.00 0.00 0.00 0.00 17.79 18.55 3faw h ALA 741 CO 0.59 0.62 -0.74 0.15 0.00 0.00 0.00 179.25 179.87 3faw s LYS 742 N -4.60 0.13 0.41 0.00 -0.14 -1.26 -3.60 119.74 110.67 3faw s LYS 742 Ca -0.09 0.13 0.12 0.00 -1.36 0.00 0.00 55.97 54.77 3faw s LYS 742 Cb 0.13 -0.37 0.94 0.00 -1.68 0.00 0.00 37.83 36.85 3faw s LYS 742 CO 0.83 -0.15 1.95 1.15 -0.76 0.00 0.00 175.35 178.36 3faw h THR 743 N 6.27 0.89 0.00 2.17 2.02 -1.83 -1.98 112.91 120.46 3faw h THR 743 Ca -0.44 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 3faw h THR 743 Cb 1.13 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3faw h THR 743 CO 0.48 0.10 -0.09 0.10 0.37 0.00 0.00 175.52 176.47 3faw h TYR 744 N 0.53 0.00 -0.84 3.16 -0.00 -1.96 -2.05 116.97 115.81 3faw h TYR 744 Ca 0.33 0.00 0.21 0.00 0.00 0.00 0.00 58.73 59.27 3faw h TYR 744 Cb 0.57 0.00 -0.13 0.00 0.00 0.00 0.00 36.73 37.17 3faw h TYR 744 CO -0.00 0.09 0.22 -0.07 -0.00 0.00 0.00 178.16 178.40 3faw h LEU 745 N 0.00 0.01 0.00 0.10 3.38 -1.77 -0.70 115.31 116.33 3faw h LEU 745 Ca -0.00 0.18 -0.26 0.00 0.09 0.00 0.00 57.88 57.89 3faw h LEU 745 Cb 0.27 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3faw h LEU 745 CO 0.01 -0.11 -1.98 0.49 0.09 0.00 0.00 178.44 176.94 3faw n PHE 746 N -5.20 0.00 0.05 1.13 3.72 -1.21 -4.57 117.46 111.37 3faw n PHE 746 Ca 0.19 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.59 3faw n PHE 746 Cb 0.61 -0.70 0.29 0.00 -0.94 0.00 0.00 39.48 38.74 3faw n PHE 746 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3faw h GLU 747 N 0.00 0.41 -0.14 -1.08 4.57 -1.17 -1.55 114.58 115.62 3faw h GLU 747 Ca -0.39 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 57.64 3faw h GLU 747 Cb 1.84 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.38 3faw h GLU 747 CO 0.01 0.55 -0.06 -0.44 -1.18 0.00 0.00 179.01 177.89 3faw h ASP 748 N 0.38 0.19 0.06 1.04 3.32 -1.37 -3.17 116.42 116.87 3faw h ASP 748 Ca 0.07 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3faw h ASP 748 Cb 0.48 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3faw h ASP 748 CO 0.03 0.29 -0.03 0.40 -1.72 0.00 0.00 179.24 178.21 3faw h ILE 749 N 0.21 1.26 -2.61 0.35 2.04 -1.50 -3.44 117.51 113.81 3faw h ILE 749 Ca 0.05 -1.43 -0.26 0.00 1.00 0.00 0.00 64.86 64.22 3faw h ILE 749 Cb 0.25 2.14 -0.34 0.00 -0.74 0.00 0.00 36.82 38.13 3faw h ILE 749 CO 0.01 0.34 -0.57 -0.70 0.00 0.00 0.00 178.15 177.23 3faw s GLU 750 N -3.38 0.18 0.60 2.37 2.56 -1.09 -4.84 118.70 115.10 3faw s GLU 750 Ca -0.15 0.47 -0.15 0.00 0.00 0.00 0.00 54.97 55.14 3faw s GLU 750 Cb 0.00 -0.62 -0.03 0.00 2.00 0.00 0.00 34.13 35.47 3faw s GLU 750 CO 0.59 -0.49 1.05 -1.25 -0.56 0.00 0.00 175.26 174.59 3faw s PRO 751 N 2.39 3.34 -1.21 4.30 0.04 -1.20 -4.14 135.00 138.52 3faw s PRO 751 Ca 0.05 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 3faw s PRO 751 Cb -0.14 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3faw s PRO 751 CO -0.11 -0.79 0.73 0.09 0.04 0.00 0.00 177.00 176.97 3faw n ASN 752 N -2.19 -3.72 0.20 6.66 3.02 -1.26 -4.84 115.26 113.14 3faw n ASN 752 Ca 0.08 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 3faw n ASN 752 Cb 0.53 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 36.00 3faw n ASN 752 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3faw n TYR 753 N -4.13 -4.15 -0.08 3.10 9.36 -1.26 -4.64 117.16 115.36 3faw n TYR 753 Ca -0.17 1.30 -0.02 0.00 3.32 0.00 0.00 57.90 62.33 3faw n TYR 753 Cb 0.63 3.16 0.23 0.00 -0.63 0.00 0.00 39.34 42.74 3faw n TYR 753 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 3faw h TYR 754 N 0.00 0.73 -3.15 2.98 0.05 -1.88 -3.44 116.97 112.26 3faw h TYR 754 Ca 0.00 -0.07 -0.50 0.00 0.05 0.00 0.00 58.73 58.21 3faw h TYR 754 Cb 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.53 3faw h TYR 754 CO 0.00 0.64 -0.11 -1.01 -1.05 0.00 0.00 178.16 176.63 3faw s HIS 755 N -5.12 3.50 0.42 4.88 3.76 -1.26 -0.82 115.29 120.64 3faw s HIS 755 Ca -0.09 0.59 -0.26 0.00 -0.15 0.00 0.00 55.06 55.14 3faw s HIS 755 Cb 0.15 -2.08 -0.10 0.00 1.11 0.00 0.00 32.58 31.67 3faw s HIS 755 CO 0.79 0.08 1.43 1.19 -0.85 0.00 0.00 174.74 177.38 3faw n PHE 756 N -1.41 2.72 -4.26 1.40 3.72 0.31 -4.49 117.46 115.45 3faw n PHE 756 Ca -0.02 0.45 -0.21 0.00 -0.05 0.00 0.00 57.45 57.62 3faw n PHE 756 Cb 0.55 -2.47 -0.12 0.00 -0.94 0.00 0.00 39.48 36.50 3faw n PHE 756 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3faw s MET 757 N -2.29 1.08 0.70 -1.08 -1.94 -1.26 -0.56 119.30 113.94 3faw s MET 757 Ca 0.58 -1.20 -0.11 0.00 -1.71 0.00 0.00 55.69 53.25 3faw s MET 757 Cb -0.47 -1.15 0.01 0.00 2.01 0.00 0.00 34.83 35.23 3faw s MET 757 CO 0.60 0.25 1.07 -0.80 -0.01 0.00 0.00 175.02 176.13 3faw s ASN 758 N -2.19 5.43 0.62 3.03 0.01 -0.42 -1.21 114.94 120.22 3faw s ASN 758 Ca 0.08 1.34 0.36 0.00 -0.71 0.00 0.00 52.86 53.93 3faw s ASN 758 Cb -0.08 -2.20 2.05 0.00 0.41 0.00 0.00 41.25 41.43 3faw s ASN 758 CO 0.04 -1.37 2.28 -0.33 -1.51 0.00 0.00 177.10 176.21 3faw h GLU 759 N -0.67 0.00 -0.00 -0.60 5.08 -1.89 -0.04 114.58 116.46 3faw h GLU 759 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3faw h GLU 759 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3faw h GLU 759 CO 0.61 0.01 -0.01 -0.40 -1.00 0.00 0.00 179.01 178.22 3faw n ASP 760 N -3.46 0.10 0.00 1.42 5.75 -1.26 -4.92 116.55 114.18 3faw n ASP 760 Ca -0.03 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.23 3faw n ASP 760 Cb 0.10 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3faw n ASP 760 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3faw n GLY 761 N 1.18 2.31 3.76 6.12 0.00 -0.03 -5.06 105.19 113.48 3faw n GLY 761 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3faw n GLY 761 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3faw s SER 762 N -1.41 5.89 0.21 1.61 1.04 -1.26 -4.59 113.70 115.19 3faw s SER 762 Ca 0.00 2.66 -0.30 0.00 0.48 0.00 0.00 55.95 58.79 3faw s SER 762 Cb 0.00 -2.63 -0.08 0.00 0.10 0.00 0.00 66.02 63.41 3faw s SER 762 CO 0.00 -1.14 1.13 -2.16 0.98 0.00 0.00 173.24 172.05 3faw s PRO 763 N -2.57 4.58 0.32 4.02 0.04 -1.26 -1.30 135.00 138.83 3faw s PRO 763 Ca 0.63 1.79 -0.27 0.00 0.04 0.00 0.00 61.00 63.19 3faw s PRO 763 Cb -0.38 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.83 3faw s PRO 763 CO 0.47 0.06 1.03 1.03 0.04 0.00 0.00 177.00 179.64 3faw s ARG 764 N -0.62 4.49 0.13 4.56 0.52 0.27 -4.85 118.95 123.45 3faw s ARG 764 Ca 0.49 1.58 0.06 0.00 -0.52 0.00 0.00 55.73 57.34 3faw s ARG 764 Cb -0.31 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 3faw s ARG 764 CO 0.37 0.14 -0.15 -1.21 0.02 0.00 0.00 175.30 174.47 3faw s GLU 765 N -1.89 1.06 -0.21 3.54 2.02 -1.26 -1.62 118.70 120.35 3faw s GLU 765 Ca 0.50 -1.25 -0.14 0.00 0.02 0.00 0.00 54.97 54.09 3faw s GLU 765 Cb -0.25 -0.99 0.06 0.00 0.10 0.00 0.00 34.13 33.05 3faw s GLU 765 CO 0.32 0.20 0.53 0.45 0.02 0.00 0.00 175.26 176.78 3faw s SER 766 N -2.44 -0.66 -1.51 -0.19 0.15 0.66 -4.83 113.70 104.87 3faw s SER 766 Ca 0.10 1.14 -0.12 0.00 0.70 0.00 0.00 55.95 57.76 3faw s SER 766 Cb -0.05 1.05 0.08 0.00 -1.71 0.00 0.00 66.02 65.38 3faw s SER 766 CO 0.04 -0.21 0.94 0.49 1.20 0.00 0.00 173.24 175.70 3faw n PHE 767 N 3.89 -2.25 -0.94 3.44 3.72 -1.26 -1.80 117.46 122.26 3faw n PHE 767 Ca -0.20 0.90 0.00 0.00 -0.05 0.00 0.00 57.45 58.10 3faw n PHE 767 Cb 0.57 -4.01 0.00 0.00 -0.94 0.00 0.00 39.48 35.10 3faw n PHE 767 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3faw n GLY 768 N -1.68 0.92 0.00 1.37 0.00 -1.26 -4.91 105.19 99.62 3faw n GLY 768 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3faw n GLY 768 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3faw n GLY 769 N -2.12 4.98 3.85 -0.02 0.00 -0.75 -4.37 105.19 106.77 3faw n GLY 769 Ca 0.00 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 3faw n GLY 769 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3faw s GLY 770 N -0.32 2.39 -0.61 -0.02 0.00 -1.22 -0.25 107.32 107.30 3faw s GLY 770 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 44.72 44.14 3faw s GLY 770 CO 0.00 -0.03 1.08 0.50 0.00 0.00 0.00 173.10 174.65 3faw s ARG 771 N -1.47 3.32 -0.01 2.90 0.52 -0.64 -1.53 118.95 122.04 3faw s ARG 771 Ca 0.28 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.98 3faw s ARG 771 Cb -0.15 -4.10 -0.08 0.00 0.52 0.00 0.00 34.95 31.14 3faw s ARG 771 CO 0.15 -1.73 1.99 -1.17 0.02 0.00 0.00 175.30 174.56 3faw s LEU 772 N 4.61 4.28 -1.11 2.53 2.96 -1.21 -0.53 118.68 130.21 3faw s LEU 772 Ca 0.33 2.53 -0.16 0.00 -0.22 0.00 0.00 54.13 56.61 3faw s LEU 772 Cb -0.11 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.19 3faw s LEU 772 CO 0.19 -1.18 1.37 -0.83 -1.32 0.00 0.00 176.35 174.57 3faw s GLY 773 N 4.94 2.10 0.00 7.98 0.00 -0.00 -4.62 107.32 117.71 3faw s GLY 773 Ca 0.89 -3.05 0.13 0.00 0.00 0.00 0.00 44.72 42.70 3faw s GLY 773 CO 0.40 2.15 1.37 -1.30 0.00 0.00 0.00 173.10 175.72 3faw n THR 774 N 5.24 0.00 0.32 0.90 -2.24 -1.26 -0.89 114.28 116.35 3faw n THR 774 Ca 0.33 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.24 3faw n THR 774 Cb 0.46 -0.35 0.20 0.00 -2.10 0.00 0.00 70.33 68.54 3faw n THR 774 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3faw h THR 775 N 0.00 0.00 -3.50 4.28 1.35 -1.94 -3.36 112.91 109.75 3faw h THR 775 Ca 0.00 -0.85 -0.53 0.00 -0.55 0.00 0.00 66.41 64.48 3faw h THR 775 Cb 0.00 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.14 3faw h THR 775 CO 0.00 0.00 0.25 -1.00 -0.25 0.00 0.00 175.52 174.52 3faw s HIS 776 N -3.20 3.79 0.15 4.73 4.02 -0.07 -4.91 115.29 119.80 3faw s HIS 776 Ca 0.07 1.63 -0.17 0.00 1.02 0.00 0.00 55.06 57.60 3faw s HIS 776 Cb 0.08 -2.92 0.06 0.00 -1.02 0.00 0.00 32.58 28.78 3faw s HIS 776 CO 0.67 0.27 1.70 0.00 1.02 0.00 0.00 174.74 178.40 3faw h ALA 777 N 5.50 0.28 0.00 -1.40 0.00 -1.89 0.36 119.26 122.11 3faw h ALA 777 Ca -0.44 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3faw h ALA 777 Cb 1.21 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3faw h ALA 777 CO 0.71 -0.42 -0.30 0.52 0.00 0.00 0.00 179.25 179.76 3faw h MET 778 N 0.06 0.00 -0.19 0.00 2.86 -1.94 -0.53 114.93 115.19 3faw h MET 778 Ca 0.16 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.61 3faw h MET 778 Cb 0.24 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.90 3faw h MET 778 CO -0.30 0.30 -0.63 0.77 1.06 0.00 0.00 176.91 178.11 3faw h SER 779 N 0.00 0.89 -0.88 1.22 0.02 -1.64 -2.45 113.55 110.70 3faw h SER 779 Ca -0.00 -0.59 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 3faw h SER 779 Cb 1.19 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 3faw h SER 779 CO 0.04 1.32 0.49 -0.09 -1.14 0.00 0.00 176.83 177.45 3faw h ARG 780 N 0.50 1.23 -0.73 3.45 2.43 -0.18 -2.80 114.38 118.28 3faw h ARG 780 Ca -0.02 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3faw h ARG 780 Cb 1.25 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 30.50 3faw h ARG 780 CO 0.13 0.90 0.43 0.00 -1.51 0.00 0.00 179.97 179.91 3faw h ARG 781 N 1.23 0.76 -0.40 0.20 3.08 -1.03 -1.00 114.38 117.22 3faw h ARG 781 Ca 0.31 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.35 3faw h ARG 781 Cb 0.02 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 3faw h ARG 781 CO -0.05 0.51 0.18 0.28 -1.07 0.00 0.00 179.97 179.81 3faw h VAL 782 N 0.79 0.93 0.32 2.04 2.07 -1.18 0.55 116.25 121.77 3faw h VAL 782 Ca 0.32 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 3faw h VAL 782 Cb 0.16 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3faw h VAL 782 CO -0.17 0.07 -0.15 0.25 0.02 0.00 0.00 177.57 177.58 3faw h LEU 783 N 0.36 -0.36 -0.36 2.57 6.46 -1.34 -2.51 115.31 120.14 3faw h LEU 783 Ca 0.18 -0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 3faw h LEU 783 Cb 0.12 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3faw h LEU 783 CO -0.15 -0.09 -0.15 0.58 -0.62 0.00 0.00 178.44 178.01 3faw h VAL 784 N -0.64 1.28 -0.61 1.05 2.07 -1.03 -1.97 116.25 116.40 3faw h VAL 784 Ca -0.04 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.16 3faw h VAL 784 Cb 0.45 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 3faw h VAL 784 CO 0.07 0.41 0.12 0.44 0.02 0.00 0.00 177.57 178.63 3faw h ASP 785 N 0.52 0.92 -0.48 0.57 3.32 0.02 -0.83 116.42 120.44 3faw h ASP 785 Ca 0.08 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 56.81 3faw h ASP 785 Cb 0.68 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3faw h ASP 785 CO 0.05 0.91 -0.21 0.77 -1.72 0.00 0.00 179.24 179.04 3faw h SER 786 N 0.92 1.02 -0.74 6.45 4.64 -1.38 0.30 113.55 124.76 3faw h SER 786 Ca 0.19 -0.39 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3faw h SER 786 Cb 0.37 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 3faw h SER 786 CO 0.01 1.19 0.39 0.40 -0.87 0.00 0.00 176.83 177.95 3faw h ILE 787 N 0.85 1.23 -0.51 0.95 1.08 -1.15 0.55 117.51 120.51 3faw h ILE 787 Ca 0.11 -0.59 -0.10 0.00 -0.39 0.00 0.00 64.86 63.89 3faw h ILE 787 Cb 0.79 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 3faw h ILE 787 CO 0.07 0.26 -0.09 0.11 -0.69 0.00 0.00 178.15 177.81 3faw h LYS 788 N 1.03 0.95 0.16 2.37 1.57 -1.00 -1.35 116.57 120.30 3faw h LYS 788 Ca 0.26 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3faw h LYS 788 Cb 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3faw h LYS 788 CO -0.04 1.01 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.86 3faw h TYR 789 N 0.81 -0.19 -0.83 -1.35 3.20 -0.71 -1.30 116.97 116.59 3faw h TYR 789 Ca 0.13 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.04 3faw h TYR 789 Cb 0.64 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.92 3faw h TYR 789 CO 0.05 0.07 0.53 -0.07 -1.64 0.00 0.00 178.16 177.09 3faw h LEU 790 N -0.45 0.86 0.48 2.82 3.38 -0.92 0.13 115.31 121.62 3faw h LEU 790 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3faw h LEU 790 Cb 0.35 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3faw h LEU 790 CO 0.04 0.58 -0.23 0.74 0.09 0.00 0.00 178.44 179.66 3faw h THR 791 N 1.01 0.49 0.03 0.22 2.02 -1.19 -2.27 112.91 113.22 3faw h THR 791 Ca 0.34 -0.25 -0.23 0.00 0.77 0.00 0.00 66.41 67.03 3faw h THR 791 Cb 0.05 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3faw h THR 791 CO -0.13 0.04 -1.00 0.77 0.37 0.00 0.00 175.52 175.58 3faw h SER 792 N -0.81 0.51 0.02 4.18 4.64 -1.13 -0.84 113.55 120.12 3faw h SER 792 Ca -0.07 -0.43 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 3faw h SER 792 Cb 0.57 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3faw h SER 792 CO 0.11 1.25 -0.12 -0.08 -0.87 0.00 0.00 176.83 177.11 3faw h GLU 793 N 0.20 0.05 -0.02 4.77 4.57 -0.85 -3.36 114.58 119.94 3faw h GLU 793 Ca -0.09 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3faw h GLU 793 Cb 1.65 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.27 3faw h GLU 793 CO 0.17 1.01 -0.06 1.19 -1.18 0.00 0.00 179.01 180.14 3faw n PHE 794 N -4.55 0.00 -3.69 0.92 3.72 -0.85 -4.98 117.46 108.03 3faw n PHE 794 Ca -0.10 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.07 3faw n PHE 794 Cb 0.52 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 39.09 3faw n PHE 794 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3faw n LYS 795 N 0.56 -5.45 -2.49 -1.08 4.76 -0.34 -4.93 118.16 109.18 3faw n LYS 795 Ca 0.16 0.66 -0.40 0.00 -2.87 0.00 0.00 58.31 55.86 3faw n LYS 795 Cb 0.46 -5.37 -0.04 0.00 -1.84 0.00 0.00 35.03 28.24 3faw n LYS 795 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3faw s VAL 796 N -3.54 3.53 -1.23 -0.18 1.01 -1.09 -4.59 120.40 114.31 3faw s VAL 796 Ca 0.14 1.47 0.22 0.00 0.00 0.00 0.00 61.98 63.81 3faw s VAL 796 Cb -0.07 -3.91 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 3faw s VAL 796 CO 0.80 0.30 1.01 0.47 0.00 0.00 0.00 175.10 177.68 3faw n ASP 797 N 0.96 1.16 -3.64 3.32 8.00 -0.56 -4.79 116.55 120.99 3faw n ASP 797 Ca 0.00 -1.02 0.02 0.00 0.71 0.00 0.00 54.79 54.50 3faw n ASP 797 Cb 0.46 0.79 -0.00 0.00 -0.02 0.00 0.00 41.12 42.34 3faw n ASP 797 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3faw s GLY 798 N -2.88 -0.38 0.01 0.44 0.00 -1.06 -2.63 107.32 100.82 3faw s GLY 798 Ca 0.11 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3faw s GLY 798 CO 0.78 0.99 -0.03 -1.36 0.00 0.00 0.00 173.10 173.48 3faw s PHE 799 N -2.30 0.22 -0.18 1.90 0.08 -0.95 -1.89 117.98 114.85 3faw s PHE 799 Ca 0.17 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 56.97 3faw s PHE 799 Cb 0.04 -0.15 -0.00 0.00 -0.57 0.00 0.00 43.02 42.34 3faw s PHE 799 CO -0.04 -0.07 -0.11 0.50 -0.10 0.00 0.00 175.22 175.41 3faw s ARG 800 N -0.65 3.29 -0.22 0.44 3.52 -0.17 -1.24 118.95 123.92 3faw s ARG 800 Ca -0.06 -0.69 -0.16 0.00 -0.13 0.00 0.00 55.73 54.69 3faw s ARG 800 Cb -0.05 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 3faw s ARG 800 CO -0.00 -0.07 0.42 -0.06 -0.81 0.00 0.00 175.30 174.78 3faw s PHE 801 N 1.09 3.33 0.13 5.12 0.08 0.11 -0.87 117.98 126.98 3faw s PHE 801 Ca 0.00 0.59 -0.30 0.00 0.12 0.00 0.00 56.93 57.34 3faw s PHE 801 Cb -0.15 -2.58 -0.07 0.00 -0.57 0.00 0.00 43.02 39.66 3faw s PHE 801 CO -0.03 -0.11 1.15 0.34 -0.10 0.00 0.00 175.22 176.48 3faw s ASP 802 N 1.26 7.17 -1.42 1.36 2.15 -0.62 -1.58 116.67 124.99 3faw s ASP 802 Ca 0.19 2.08 -0.07 0.00 0.43 0.00 0.00 52.55 55.18 3faw s ASP 802 Cb -0.15 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.88 3faw s ASP 802 CO 0.09 -0.34 0.31 0.23 -0.17 0.00 0.00 175.17 175.29 3faw n MET 803 N 3.00 -1.63 0.21 4.34 2.81 -1.26 -4.48 117.12 120.11 3faw n MET 803 Ca 0.05 0.22 0.15 0.00 -1.81 0.00 0.00 57.70 56.31 3faw n MET 803 Cb 0.46 -3.77 0.79 0.00 -0.71 0.00 0.00 33.22 29.99 3faw n MET 803 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 3faw h MET 804 N -1.95 0.00 0.00 0.03 4.05 -0.92 -1.50 114.93 114.63 3faw h MET 804 Ca -0.66 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.76 3faw h MET 804 Cb 1.39 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 3faw h MET 804 CO 0.63 0.00 0.00 0.41 0.23 0.00 0.00 176.91 178.18 3faw n GLY 805 N -1.45 -1.06 0.24 1.39 0.00 -1.10 -1.46 105.19 101.75 3faw n GLY 805 Ca 0.01 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3faw n GLY 805 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3faw h ASP 806 N 0.00 0.00 -3.18 1.61 5.19 -1.53 -2.84 116.42 115.67 3faw h ASP 806 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 3faw h ASP 806 Cb 0.21 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 3faw h ASP 806 CO 0.00 0.15 -0.26 -1.00 -3.12 0.00 0.00 179.24 175.01 3faw s HIS 807 N -3.66 3.47 0.40 4.55 3.76 -0.53 -4.55 115.29 118.73 3faw s HIS 807 Ca 0.01 0.60 -0.26 0.00 -0.15 0.00 0.00 55.06 55.25 3faw s HIS 807 Cb 0.10 -2.04 -0.09 0.00 1.11 0.00 0.00 32.58 31.66 3faw s HIS 807 CO 0.61 0.37 1.31 0.16 -0.85 0.00 0.00 174.74 176.34 3faw s ASP 808 N -2.58 6.33 0.40 1.40 -4.77 -1.26 -0.49 116.67 115.70 3faw s ASP 808 Ca 0.42 2.67 0.08 0.00 -3.30 0.00 0.00 52.55 52.42 3faw s ASP 808 Cb -0.12 -2.64 0.83 0.00 -1.09 0.00 0.00 42.92 39.90 3faw s ASP 808 CO 0.25 -0.84 2.00 0.00 0.70 0.00 0.00 175.17 177.28 3faw h ALA 809 N 2.71 1.63 -0.84 2.11 0.00 -0.99 -3.02 119.26 120.86 3faw h ALA 809 Ca -0.50 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.33 3faw h ALA 809 Cb 1.25 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3faw h ALA 809 CO 0.63 0.30 0.55 0.00 0.00 0.00 0.00 179.25 180.72 3faw h ALA 810 N 1.70 1.06 -0.51 0.00 0.00 -1.92 0.72 119.26 120.31 3faw h ALA 810 Ca 0.11 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3faw h ALA 810 Cb 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3faw h ALA 810 CO -0.01 0.48 -0.10 0.00 0.00 0.00 0.00 179.25 179.62 3faw h ALA 811 N 1.30 0.69 -0.11 0.00 0.00 -1.80 -1.65 119.26 117.69 3faw h ALA 811 Ca 0.31 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3faw h ALA 811 Cb -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3faw h ALA 811 CO -0.07 0.59 -0.76 0.82 0.00 0.00 0.00 179.25 179.83 3faw h ILE 812 N 0.82 1.33 -0.24 0.00 1.08 -1.52 -0.93 117.51 118.04 3faw h ILE 812 Ca 0.13 -2.06 0.05 0.00 -0.39 0.00 0.00 64.86 62.59 3faw h ILE 812 Cb 0.66 2.06 -0.05 0.00 -3.07 0.00 0.00 36.82 36.41 3faw h ILE 812 CO 0.05 0.64 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.72 3faw h GLU 813 N 0.41 -0.04 -0.49 2.37 4.39 -0.83 -0.81 114.58 119.58 3faw h GLU 813 Ca -0.04 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 3faw h GLU 813 Cb 1.37 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 3faw h GLU 813 CO 0.15 -0.03 0.19 1.25 -1.16 0.00 0.00 179.01 179.41 3faw h LEU 814 N -0.04 0.68 -0.97 1.33 5.85 -1.18 -0.14 115.31 120.84 3faw h LEU 814 Ca 0.12 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.73 3faw h LEU 814 Cb 0.23 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3faw h LEU 814 CO -0.28 0.67 0.62 0.00 -0.34 0.00 0.00 178.44 179.12 3faw h ALA 815 N 1.04 1.34 -0.19 1.25 0.00 -0.97 -1.11 119.26 120.62 3faw h ALA 815 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3faw h ALA 815 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3faw h ALA 815 CO -0.01 0.41 -0.05 -0.92 0.00 0.00 0.00 179.25 178.68 3faw h TYR 816 N 1.13 0.41 -0.23 0.00 3.20 -0.72 -1.71 116.97 119.05 3faw h TYR 816 Ca 0.42 -0.09 0.05 0.00 3.14 0.00 0.00 58.73 62.24 3faw h TYR 816 Cb 0.16 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3faw h TYR 816 CO -0.01 0.63 -0.05 -0.22 -1.64 0.00 0.00 178.16 176.87 3faw h LYS 817 N 0.08 0.01 -0.39 1.82 3.64 -0.63 0.21 116.57 121.31 3faw h LYS 817 Ca 0.05 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3faw h LYS 817 Cb 0.50 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3faw h LYS 817 CO 0.02 0.01 0.03 0.93 -2.27 0.00 0.00 179.45 178.17 3faw h GLU 818 N 0.01 0.67 -0.38 1.90 4.39 -1.23 -1.08 114.58 118.86 3faw h GLU 818 Ca 0.11 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 3faw h GLU 818 Cb 0.17 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3faw h GLU 818 CO -0.23 0.74 0.08 0.00 -1.16 0.00 0.00 179.01 178.44 3faw h ALA 819 N 0.90 0.51 -0.19 3.43 0.00 -1.09 -2.73 119.26 120.08 3faw h ALA 819 Ca 0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3faw h ALA 819 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3faw h ALA 819 CO 0.01 0.20 -0.16 -0.22 0.00 0.00 0.00 179.25 179.08 3faw h LYS 820 N 0.48 0.32 -0.48 0.00 3.64 -0.51 0.39 116.57 120.42 3faw h LYS 820 Ca 0.12 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3faw h LYS 820 Cb 0.33 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3faw h LYS 820 CO 0.00 0.49 0.03 0.00 -2.27 0.00 0.00 179.45 177.70 3faw h ALA 821 N 1.54 1.16 -0.00 5.00 0.00 -1.02 -2.72 119.26 123.21 3faw h ALA 821 Ca 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3faw h ALA 821 Cb 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3faw h ALA 821 CO 0.03 0.55 -0.04 0.82 0.00 0.00 0.00 179.25 180.61 3faw h ILE 822 N 0.73 1.57 -3.54 0.00 2.04 -1.15 -3.43 117.51 113.73 3faw h ILE 822 Ca 0.15 -1.73 -0.64 0.00 1.00 0.00 0.00 64.86 63.64 3faw h ILE 822 Cb 0.40 2.72 -0.40 0.00 -0.74 0.00 0.00 36.82 38.80 3faw h ILE 822 CO 0.01 0.45 -0.72 0.21 0.00 0.00 0.00 178.15 178.11 3faw s ASN 823 N -6.00 4.56 0.58 1.72 2.47 0.09 -5.01 114.94 113.35 3faw s ASN 823 Ca -0.17 -2.18 0.29 0.00 0.42 0.00 0.00 52.86 51.22 3faw s ASN 823 Cb -0.00 -1.48 1.49 0.00 -1.45 0.00 0.00 41.25 39.81 3faw s ASN 823 CO 0.69 -0.37 1.93 -0.65 -3.72 0.00 0.00 177.10 174.98 3faw h PRO 824 N 7.54 0.00 -0.30 0.43 0.11 -1.75 -0.46 132.00 137.58 3faw h PRO 824 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3faw h PRO 824 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3faw h PRO 824 CO 0.53 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.41 3faw n ASN 825 N -3.81 2.03 -4.62 -2.05 5.03 -1.26 -4.98 115.26 105.59 3faw n ASN 825 Ca 0.08 -1.87 -0.46 0.00 0.87 0.00 0.00 54.58 53.20 3faw n ASN 825 Cb 0.64 -0.19 -0.03 0.00 -1.02 0.00 0.00 39.78 39.18 3faw n ASN 825 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 3faw n MET 826 N 0.58 1.60 -4.43 3.52 1.56 -0.18 -4.95 117.12 114.82 3faw n MET 826 Ca 0.15 0.57 -0.23 0.00 -0.27 0.00 0.00 57.70 57.92 3faw n MET 826 Cb 0.35 -2.13 -0.13 0.00 2.15 0.00 0.00 33.22 33.46 3faw n MET 826 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 3faw s ILE 827 N -0.23 1.44 0.02 1.12 -4.36 -1.08 -4.97 121.20 113.14 3faw s ILE 827 Ca 0.69 -1.21 0.03 0.00 -0.26 0.00 0.00 60.65 59.90 3faw s ILE 827 Cb -0.74 -1.29 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 3faw s ILE 827 CO 0.52 0.04 -0.10 -0.04 0.24 0.00 0.00 174.94 175.61 3faw s MET 828 N -1.36 0.68 0.19 0.37 -1.94 -1.26 -2.25 119.30 113.73 3faw s MET 828 Ca 0.04 -0.56 -0.01 0.00 -1.71 0.00 0.00 55.69 53.46 3faw s MET 828 Cb -0.09 -0.61 -0.04 0.00 2.01 0.00 0.00 34.83 36.10 3faw s MET 828 CO 0.02 0.15 0.11 0.96 -0.01 0.00 0.00 175.02 176.25 3faw s ILE 829 N -0.73 0.12 -0.08 2.53 -4.36 -0.38 -1.87 121.20 116.43 3faw s ILE 829 Ca -0.01 -1.98 -0.32 0.00 -0.26 0.00 0.00 60.65 58.08 3faw s ILE 829 Cb -0.06 -2.42 0.12 0.00 1.25 0.00 0.00 42.46 41.35 3faw s ILE 829 CO 0.00 -0.11 1.16 -0.83 0.24 0.00 0.00 174.94 175.41 3faw s GLY 830 N -3.16 -0.35 -0.48 6.27 0.00 -0.54 -0.71 107.32 108.35 3faw s GLY 830 Ca 0.35 1.09 -0.28 0.00 0.00 0.00 0.00 44.72 45.89 3faw s GLY 830 CO 0.10 0.33 1.63 -0.54 0.00 0.00 0.00 173.10 174.62 3faw s GLU 831 N -2.61 3.20 -0.45 2.90 2.02 -0.61 -2.93 118.70 120.21 3faw s GLU 831 Ca 0.10 0.87 -0.01 0.00 0.02 0.00 0.00 54.97 55.95 3faw s GLU 831 Cb 0.01 -4.19 0.30 0.00 0.10 0.00 0.00 34.13 30.34 3faw s GLU 831 CO -0.04 -2.03 2.04 0.41 0.02 0.00 0.00 175.26 175.66 3faw n GLY 832 N 5.38 4.77 3.77 -1.39 0.00 -1.26 -0.56 105.19 115.89 3faw n GLY 832 Ca 0.18 -1.57 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 3faw n GLY 832 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3faw s TRP 833 N -2.57 2.78 -1.19 1.61 0.23 -1.26 -1.13 118.94 117.41 3faw s TRP 833 Ca 0.44 1.51 -0.20 0.00 -2.03 0.00 0.00 56.10 55.82 3faw s TRP 833 Cb 0.34 -3.44 0.04 0.00 0.03 0.00 0.00 33.47 30.44 3faw s TRP 833 CO -0.02 -1.73 1.70 1.03 0.96 0.00 0.00 176.95 178.90 3faw s ARG 834 N -2.75 3.60 0.00 4.98 0.52 -1.26 -4.03 118.95 120.01 3faw s ARG 834 Ca 0.65 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 3faw s ARG 834 Cb -0.30 -5.42 0.00 0.00 0.52 0.00 0.00 34.95 29.74 3faw s ARG 834 CO 0.36 -2.55 0.55 0.25 0.02 0.00 0.00 175.30 173.94 3faw n THR 835 N 6.81 0.18 -1.69 0.02 -2.24 -1.26 -5.09 114.28 111.01 3faw n THR 835 Ca 0.44 -0.54 -0.44 0.00 -2.27 0.00 0.00 64.05 61.23 3faw n THR 835 Cb 0.47 0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 3faw n THR 835 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3faw n PHE 836 N -0.09 2.30 -0.00 4.78 7.35 -1.07 -4.70 117.46 126.03 3faw n PHE 836 Ca 0.00 0.39 -0.04 0.00 -0.76 0.00 0.00 57.45 57.04 3faw n PHE 836 Cb 0.07 -2.49 -0.01 0.00 0.35 0.00 0.00 39.48 37.40 3faw n PHE 836 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3faw n GLN 837 N 2.08 0.14 0.00 -4.13 1.13 -1.26 -5.04 117.38 110.30 3faw n GLN 837 Ca 0.11 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 3faw n GLN 837 Cb 0.32 -0.73 0.00 0.00 0.11 0.00 0.00 30.24 29.94 3faw n GLN 837 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3faw n GLY 838 N 2.85 0.07 3.75 1.08 0.00 -1.26 -4.71 105.19 106.96 3faw n GLY 838 Ca -0.07 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 3faw n GLY 838 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3faw s ASP 839 N -4.00 7.44 0.08 1.61 1.01 -1.26 -4.37 116.67 117.18 3faw s ASP 839 Ca 0.00 1.71 -0.33 0.00 0.71 0.00 0.00 52.55 54.64 3faw s ASP 839 Cb 0.00 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.26 3faw s ASP 839 CO 0.00 0.05 1.76 1.67 0.21 0.00 0.00 175.17 178.86 3faw n GLN 840 N 2.32 2.41 -1.08 8.23 7.27 -0.35 -1.61 117.38 134.57 3faw n GLN 840 Ca -0.01 0.87 -0.03 0.00 0.07 0.00 0.00 57.00 57.90 3faw n GLN 840 Cb 0.49 -2.71 -0.01 0.00 2.41 0.00 0.00 30.24 30.41 3faw n GLN 840 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3faw n GLY 841 N 3.99 0.58 2.65 1.69 0.00 -1.26 -4.70 105.19 108.14 3faw n GLY 841 Ca 0.19 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3faw n GLY 841 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3faw n LYS 842 N -2.12 1.43 -2.00 1.61 5.02 -0.63 -5.11 118.16 116.36 3faw n LYS 842 Ca -0.03 -4.09 -0.39 0.00 -2.02 0.00 0.00 58.31 51.78 3faw n LYS 842 Cb 0.20 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 3faw n LYS 842 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3faw s PRO 843 N -1.20 3.87 0.02 1.97 0.02 -1.26 -4.43 135.00 133.98 3faw s PRO 843 Ca 0.30 2.20 -0.06 0.00 0.02 0.00 0.00 61.00 63.46 3faw s PRO 843 Cb 0.02 -2.70 -0.01 0.00 0.02 0.00 0.00 34.50 31.83 3faw s PRO 843 CO -0.15 -0.59 0.10 0.08 -0.33 0.00 0.00 177.00 176.11 3faw s VAL 844 N -1.26 0.11 -0.19 3.83 1.01 -1.26 -5.12 120.40 117.52 3faw s VAL 844 Ca 0.59 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 3faw s VAL 844 Cb -0.39 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3faw s VAL 844 CO 0.50 -0.51 1.64 -0.75 0.00 0.00 0.00 175.10 175.97 3faw s LYS 845 N -2.07 3.85 0.54 2.72 2.20 -1.26 -4.98 119.74 120.74 3faw s LYS 845 Ca -0.09 1.76 -0.08 0.00 -0.36 0.00 0.00 55.97 57.20 3faw s LYS 845 Cb -0.04 -4.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 3faw s LYS 845 CO -0.02 -1.23 0.89 -1.25 -0.36 0.00 0.00 175.35 173.38 3faw s PRO 846 N 4.60 3.59 -1.26 4.03 0.04 -1.26 -0.51 135.00 144.22 3faw s PRO 846 Ca 0.72 0.46 -0.07 0.00 0.04 0.00 0.00 61.00 62.15 3faw s PRO 846 Cb -0.27 -2.25 0.17 0.00 0.04 0.00 0.00 34.50 32.20 3faw s PRO 846 CO 0.29 -0.35 1.98 0.00 0.04 0.00 0.00 177.00 178.95 3faw n ALA 847 N -2.41 5.78 -3.15 8.56 0.00 0.36 -4.33 120.51 125.32 3faw n ALA 847 Ca 0.03 -4.32 0.00 0.00 0.00 0.00 0.00 53.44 49.16 3faw n ALA 847 Cb 0.55 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.16 3faw n ALA 847 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3faw n ASP 848 N 2.87 1.66 0.21 0.00 5.68 -1.26 -3.09 116.55 122.63 3faw n ASP 848 Ca 0.45 -0.18 0.05 0.00 -0.50 0.00 0.00 54.79 54.61 3faw n ASP 848 Cb 0.32 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.78 3faw n ASP 848 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3faw h GLN 849 N 0.00 0.00 0.00 0.11 4.20 -1.43 -2.26 115.11 115.72 3faw h GLN 849 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3faw h GLN 849 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3faw h GLN 849 CO 0.00 0.25 0.00 -0.25 -0.67 0.00 0.00 178.83 178.16 3faw n ASP 850 N -4.13 0.66 0.26 1.46 8.00 -1.26 -2.77 116.55 118.76 3faw n ASP 850 Ca -0.02 0.60 0.15 0.00 0.71 0.00 0.00 54.79 56.23 3faw n ASP 850 Cb 0.31 -0.76 0.57 0.00 -0.02 0.00 0.00 41.12 41.22 3faw n ASP 850 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3faw h TRP 851 N 0.00 0.00 0.00 1.24 7.01 -1.64 -3.32 115.95 119.24 3faw h TRP 851 Ca 0.00 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 3faw h TRP 851 Cb 0.57 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.63 3faw h TRP 851 CO 0.00 0.04 -0.16 0.52 -2.79 0.00 0.00 178.44 176.05 3faw h MET 852 N 0.00 0.00 0.00 2.65 2.86 -1.63 -1.79 114.93 117.01 3faw h MET 852 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3faw h MET 852 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3faw h MET 852 CO 0.00 0.16 0.00 0.36 1.06 0.00 0.00 176.91 178.50 3faw n LYS 853 N -4.25 0.10 -0.14 1.72 2.85 -1.22 -3.47 118.16 113.74 3faw n LYS 853 Ca -0.02 0.13 0.05 0.00 -1.05 0.00 0.00 58.31 57.42 3faw n LYS 853 Cb 0.23 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.18 3faw n LYS 853 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3faw n SER 854 N -1.43 1.54 -3.62 -5.58 3.41 -0.69 -4.93 113.62 102.32 3faw n SER 854 Ca 0.07 -2.43 -0.16 0.00 -0.26 0.00 0.00 58.87 56.09 3faw n SER 854 Cb 0.21 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 3faw n SER 854 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3faw s THR 855 N -1.59 0.02 -0.51 6.66 -1.32 -1.13 -5.06 115.64 112.71 3faw s THR 855 Ca 0.15 -0.13 0.07 0.00 -1.21 0.00 0.00 61.69 60.57 3faw s THR 855 Cb 0.13 -0.85 0.36 0.00 -1.51 0.00 0.00 72.50 70.64 3faw s THR 855 CO 0.01 -0.07 0.96 0.47 -2.21 0.00 0.00 174.62 173.78 3faw n ASP 856 N 1.43 3.91 0.00 8.08 8.00 -1.26 -4.74 116.55 131.97 3faw n ASP 856 Ca -0.19 -3.56 0.00 0.00 0.71 0.00 0.00 54.79 51.76 3faw n ASP 856 Cb 0.56 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 3faw n ASP 856 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3faw n THR 857 N -0.22 0.00 -3.89 -3.53 -2.24 -1.26 -5.06 114.28 98.07 3faw n THR 857 Ca 0.31 0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.78 3faw n THR 857 Cb 0.51 -0.98 -0.08 0.00 -2.10 0.00 0.00 70.33 67.67 3faw n THR 857 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3faw s VAL 858 N -0.87 5.22 0.23 2.28 1.01 -1.26 -4.53 120.40 122.48 3faw s VAL 858 Ca 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 3faw s VAL 858 Cb 0.00 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 3faw s VAL 858 CO 0.00 0.52 0.50 -0.83 0.00 0.00 0.00 175.10 175.29 3faw s GLY 859 N -0.22 2.07 0.14 4.51 0.00 -0.78 -4.86 107.32 108.17 3faw s GLY 859 Ca 0.10 -0.49 0.11 0.00 0.00 0.00 0.00 44.72 44.43 3faw s GLY 859 CO 0.01 -0.39 -0.26 -1.34 0.00 0.00 0.00 173.10 171.12 3faw s VAL 860 N -1.88 2.23 0.30 1.40 -7.23 -0.12 -1.47 120.40 113.62 3faw s VAL 860 Ca 0.44 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 3faw s VAL 860 Cb -0.11 -1.98 -0.11 0.00 0.56 0.00 0.00 36.38 34.73 3faw s VAL 860 CO 0.26 0.05 1.56 -0.36 -0.31 0.00 0.00 175.10 176.30 3faw s PHE 861 N -1.15 2.77 -0.78 2.82 0.08 -1.15 -0.41 117.98 120.16 3faw s PHE 861 Ca 0.14 0.85 -0.18 0.00 0.12 0.00 0.00 56.93 57.87 3faw s PHE 861 Cb -0.10 -4.03 0.14 0.00 -0.57 0.00 0.00 43.02 38.47 3faw s PHE 861 CO 0.06 -3.41 0.88 0.45 -0.10 0.00 0.00 175.22 173.10 3faw s SER 862 N 0.41 6.50 0.54 1.36 0.15 -0.12 -4.78 113.70 117.75 3faw s SER 862 Ca 0.62 -1.98 0.31 0.00 0.70 0.00 0.00 55.95 55.59 3faw s SER 862 Cb -0.47 -2.31 1.49 0.00 -1.71 0.00 0.00 66.02 63.02 3faw s SER 862 CO 0.49 -0.96 2.06 -2.24 1.20 0.00 0.00 173.24 173.79 3faw h ASP 863 N 8.69 0.00 -0.18 5.45 2.03 -1.91 -3.01 116.42 127.49 3faw h ASP 863 Ca -0.03 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.25 3faw h ASP 863 Cb 1.05 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.55 3faw h ASP 863 CO 1.01 0.09 0.02 -0.78 -1.03 0.00 0.00 179.24 178.56 3faw h ASP 864 N 0.00 0.29 -0.19 4.15 3.58 -1.96 0.31 116.42 122.61 3faw h ASP 864 Ca -0.00 -0.27 -0.13 0.00 0.42 0.00 0.00 57.03 57.05 3faw h ASP 864 Cb 0.39 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 3faw h ASP 864 CO 0.01 0.48 -0.32 -0.29 -2.88 0.00 0.00 179.24 176.25 3faw h ILE 865 N 0.08 1.28 0.56 2.25 2.10 -1.87 -1.23 117.51 120.68 3faw h ILE 865 Ca 0.05 -1.45 -0.02 0.00 1.08 0.00 0.00 64.86 64.52 3faw h ILE 865 Cb 0.32 1.38 -0.02 0.00 -1.09 0.00 0.00 36.82 37.41 3faw h ILE 865 CO 0.00 0.47 -0.50 -0.09 -1.08 0.00 0.00 178.15 176.96 3faw h ARG 866 N 0.59 -1.01 -0.25 2.19 2.43 -1.41 -2.09 114.38 114.82 3faw h ARG 866 Ca 0.07 0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3faw h ARG 866 Cb 0.83 0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 3faw h ARG 866 CO 0.07 -0.67 0.05 -0.91 -1.51 0.00 0.00 179.97 176.99 3faw h ASN 867 N -1.05 0.00 -0.81 -3.80 2.35 -0.90 -1.24 115.58 110.14 3faw h ASN 867 Ca -0.07 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3faw h ASN 867 Cb 0.89 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.28 3faw h ASN 867 CO -0.03 0.04 0.46 0.28 -1.65 0.00 0.00 177.43 176.53 3faw h SER 868 N 0.14 0.99 0.20 5.81 0.02 -1.22 -0.41 113.55 119.08 3faw h SER 868 Ca 0.12 -0.07 -0.30 0.00 -0.84 0.00 0.00 61.79 60.69 3faw h SER 868 Cb 0.12 -0.25 0.02 0.00 0.14 0.00 0.00 62.40 62.43 3faw h SER 868 CO -0.16 0.78 -1.39 -0.07 -1.14 0.00 0.00 176.83 174.86 3faw h LEU 869 N 1.13 0.67 -1.61 5.07 3.38 -1.15 -1.68 115.31 121.12 3faw h LEU 869 Ca 0.29 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 3faw h LEU 869 Cb -0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3faw h LEU 869 CO -0.05 1.65 -0.30 2.29 0.09 0.00 0.00 178.44 182.12 3faw n LYS 870 N -3.80 0.00 -0.61 1.13 -0.00 -0.49 -1.65 118.16 112.74 3faw n LYS 870 Ca -0.19 -0.61 0.07 0.00 -0.00 0.00 0.00 58.31 57.58 3faw n LYS 870 Cb 1.02 -0.24 -0.04 0.00 -0.00 0.00 0.00 35.03 35.78 3faw n LYS 870 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3faw n SER 871 N 0.02 -3.40 0.00 -5.58 3.41 -0.17 -4.70 113.62 103.20 3faw n SER 871 Ca -0.01 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 3faw n SER 871 Cb 0.63 -2.07 0.00 0.00 -0.26 0.00 0.00 64.21 62.51 3faw n SER 871 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3faw n GLY 872 N -3.06 -1.03 3.73 5.00 0.00 -1.26 -4.31 105.19 104.25 3faw n GLY 872 Ca -0.03 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 3faw n GLY 872 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3faw n PHE 873 N 0.10 2.64 1.09 1.61 7.35 -1.26 0.18 117.46 129.16 3faw n PHE 873 Ca 0.00 0.40 0.07 0.00 -0.76 0.00 0.00 57.45 57.16 3faw n PHE 873 Cb 0.00 -2.52 0.23 0.00 0.35 0.00 0.00 39.48 37.54 3faw n PHE 873 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3faw n PRO 874 N 1.37 1.72 -2.83 -7.13 -0.04 -1.26 -4.92 135.00 121.91 3faw n PRO 874 Ca 0.06 -1.10 -0.21 0.00 -0.04 0.00 0.00 63.50 62.22 3faw n PRO 874 Cb 0.36 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 3faw n PRO 874 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3faw n ASN 875 N 0.37 2.89 -4.73 3.54 5.03 0.13 -5.09 115.26 117.39 3faw n ASN 875 Ca 0.13 -3.30 -0.42 0.00 0.87 0.00 0.00 54.58 51.86 3faw n ASN 875 Cb 0.28 -0.55 -0.03 0.00 -1.02 0.00 0.00 39.78 38.47 3faw n ASN 875 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3faw s GLU 876 N -3.14 4.22 0.00 3.52 2.12 -0.71 -2.56 118.70 122.15 3faw s GLU 876 Ca 0.41 2.39 0.00 0.00 0.36 0.00 0.00 54.97 58.13 3faw s GLU 876 Cb 0.37 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.65 3faw s GLU 876 CO -0.10 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 3faw n GLY 877 N 2.92 0.28 3.73 -1.50 0.00 -1.26 -4.94 105.19 104.41 3faw n GLY 877 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3faw n GLY 877 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3faw s THR 878 N -2.06 4.21 0.19 2.61 2.01 -1.06 -4.11 115.64 117.43 3faw s THR 878 Ca 0.00 1.76 -0.33 0.00 0.31 0.00 0.00 61.69 63.43 3faw s THR 878 Cb 0.00 -4.12 -0.14 0.00 0.01 0.00 0.00 72.50 68.24 3faw s THR 878 CO 0.00 0.23 1.38 -2.65 -0.69 0.00 0.00 174.62 172.90 3faw n PRO 879 N 3.06 1.77 0.00 4.92 -0.02 -1.26 -4.42 135.00 139.05 3faw n PRO 879 Ca 0.05 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3faw n PRO 879 Cb 0.48 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3faw n PRO 879 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3faw n ALA 880 N 2.22 0.00 -0.06 3.55 0.00 -1.26 -4.25 120.51 120.71 3faw n ALA 880 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.51 3faw n ALA 880 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 3faw n ALA 880 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3faw h PHE 881 N 0.00 -0.16 -0.20 0.00 3.57 -1.04 0.25 116.94 119.36 3faw h PHE 881 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3faw h PHE 881 Cb 0.00 0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3faw h PHE 881 CO 0.00 -0.12 0.00 0.44 -2.23 0.00 0.00 178.31 176.40 3faw n ILE 882 N -5.24 0.26 -1.96 1.41 -5.35 -0.66 -4.13 119.36 103.69 3faw n ILE 882 Ca -0.01 -0.42 0.05 0.00 -0.27 0.00 0.00 62.75 62.10 3faw n ILE 882 Cb 0.16 0.49 0.13 0.00 -1.74 0.00 0.00 39.64 38.68 3faw n ILE 882 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3faw n THR 883 N 0.54 1.35 -0.72 7.28 -2.24 -0.79 -4.83 114.28 114.86 3faw n THR 883 Ca 0.17 -2.38 0.00 0.00 -2.27 0.00 0.00 64.05 59.57 3faw n THR 883 Cb 0.38 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3faw n THR 883 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3faw n GLY 884 N -0.48 0.63 3.27 3.38 0.00 -1.00 -4.15 105.19 106.84 3faw n GLY 884 Ca 0.14 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3faw n GLY 884 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3faw s GLY 885 N -2.08 1.84 0.25 -0.02 0.00 0.81 -4.84 107.32 103.27 3faw s GLY 885 Ca 0.00 -1.74 -0.31 0.00 0.00 0.00 0.00 44.72 42.67 3faw s GLY 885 CO 0.00 0.76 1.50 -1.05 0.00 0.00 0.00 173.10 174.31 3faw n PRO 886 N 4.80 2.30 -4.37 2.90 -0.02 -1.26 -3.13 135.00 136.21 3faw n PRO 886 Ca -0.13 0.82 -0.27 0.00 -2.02 0.00 0.00 63.50 61.91 3faw n PRO 886 Cb 0.45 -2.54 -0.12 0.00 -0.02 0.00 0.00 33.50 31.27 3faw n PRO 886 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3faw s GLN 887 N -0.23 1.37 0.09 -0.52 -1.52 -0.72 -4.69 119.66 113.44 3faw s GLN 887 Ca 0.68 -1.37 -0.31 0.00 -1.95 0.00 0.00 55.36 52.41 3faw s GLN 887 Cb -0.60 -1.72 -0.10 0.00 -0.22 0.00 0.00 33.01 30.37 3faw s GLN 887 CO 0.47 0.39 1.90 0.45 -0.25 0.00 0.00 175.29 178.26 3faw n SER 888 N 0.68 4.13 0.19 5.90 2.88 -1.26 -0.94 113.62 125.19 3faw n SER 888 Ca -0.16 0.95 0.06 0.00 -1.33 0.00 0.00 58.87 58.38 3faw n SER 888 Cb 0.54 -1.54 0.34 0.00 -0.75 0.00 0.00 64.21 62.80 3faw n SER 888 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3faw h LEU 889 N 9.48 0.00 -0.35 2.46 3.38 -1.76 -2.58 115.31 125.94 3faw h LEU 889 Ca -0.48 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 3faw h LEU 889 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3faw h LEU 889 CO 0.95 0.37 0.04 -0.61 0.09 0.00 0.00 178.44 179.28 3faw h GLN 890 N 0.00 0.60 -0.52 1.13 5.75 -1.90 0.18 115.11 120.35 3faw h GLN 890 Ca -0.00 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 3faw h GLN 890 Cb 0.89 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 3faw h GLN 890 CO 0.05 0.68 0.26 0.78 -2.65 0.00 0.00 178.83 177.95 3faw h GLY 891 N 0.43 0.79 1.00 2.39 0.00 -1.92 0.11 103.07 105.86 3faw h GLY 891 Ca 0.11 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3faw h GLY 891 CO 0.01 0.36 0.13 -2.22 0.00 0.00 0.00 176.54 174.82 3faw h ILE 892 N 0.69 1.06 -0.40 2.60 1.08 -1.38 -1.29 117.51 119.87 3faw h ILE 892 Ca 0.18 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 3faw h ILE 892 Cb 0.09 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 3faw h ILE 892 CO -0.02 0.05 0.25 0.15 -0.69 0.00 0.00 178.15 177.89 3faw h PHE 893 N 0.26 0.52 -0.73 1.37 3.57 -0.35 -0.37 116.94 121.21 3faw h PHE 893 Ca 0.07 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3faw h PHE 893 Cb -0.02 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 3faw h PHE 893 CO -0.06 0.35 0.36 0.87 -2.23 0.00 0.00 178.31 177.60 3faw h LYS 894 N 0.53 1.03 -0.33 1.11 1.57 -0.71 -1.69 116.57 118.09 3faw h LYS 894 Ca 0.15 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3faw h LYS 894 Cb -0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3faw h LYS 894 CO -0.03 0.78 0.20 -0.91 -0.57 0.00 0.00 179.45 178.93 3faw h ASN 895 N 1.03 0.40 -0.67 0.86 -0.26 -0.68 0.26 115.58 116.51 3faw h ASN 895 Ca 0.25 -0.05 0.15 0.00 -0.56 0.00 0.00 56.30 56.09 3faw h ASN 895 Cb 0.08 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.20 3faw h ASN 895 CO -0.03 0.33 0.46 0.40 -1.06 0.00 0.00 177.43 177.53 3faw h ILE 896 N 0.43 0.78 -0.06 2.81 2.04 -0.62 0.15 117.51 123.04 3faw h ILE 896 Ca 0.12 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3faw h ILE 896 Cb 0.01 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3faw h ILE 896 CO -0.02 0.05 0.00 0.29 0.00 0.00 0.00 178.15 178.47 3faw n LYS 897 N -4.44 1.23 -3.16 2.37 5.02 -0.68 -0.70 118.16 117.81 3faw n LYS 897 Ca 0.13 -0.35 -0.15 0.00 -2.02 0.00 0.00 58.31 55.92 3faw n LYS 897 Cb 0.55 -1.30 0.05 0.00 -0.02 0.00 0.00 35.03 34.30 3faw n LYS 897 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3faw n ALA 898 N -0.41 -0.87 -3.36 7.82 0.00 0.53 -4.79 120.51 119.42 3faw n ALA 898 Ca 0.14 0.23 -0.26 0.00 0.00 0.00 0.00 53.44 53.54 3faw n ALA 898 Cb 0.14 -3.46 -0.08 0.00 0.00 0.00 0.00 19.45 16.06 3faw n ALA 898 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3faw n GLN 899 N -3.30 1.74 -1.59 0.00 6.02 0.86 -4.71 117.38 116.41 3faw n GLN 899 Ca -0.01 -4.08 -0.36 0.00 -0.01 0.00 0.00 57.00 52.53 3faw n GLN 899 Cb 0.55 -1.85 0.08 0.00 1.02 0.00 0.00 30.24 30.03 3faw n GLN 899 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3faw n PRO 900 N 1.18 0.90 0.02 -1.09 -0.04 -1.26 -3.89 135.00 130.81 3faw n PRO 900 Ca 0.26 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 3faw n PRO 900 Cb 0.45 -2.47 0.51 0.00 -0.04 0.00 0.00 33.50 31.96 3faw n PRO 900 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3faw n GLY 901 N 0.91 -1.49 0.33 0.55 0.00 -1.26 -3.92 105.19 100.31 3faw n GLY 901 Ca 0.15 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3faw n GLY 901 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3faw n ASN 902 N -1.63 1.58 -3.61 1.61 6.94 -1.26 -4.97 115.26 113.92 3faw n ASN 902 Ca 0.06 -1.29 -0.13 0.00 -0.02 0.00 0.00 54.58 53.21 3faw n ASN 902 Cb 0.36 0.58 -0.05 0.00 -2.36 0.00 0.00 39.78 38.30 3faw n ASN 902 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3faw s PHE 903 N -2.20 -0.32 -0.41 -2.53 -0.12 -1.25 -5.00 117.98 106.14 3faw s PHE 903 Ca 0.13 0.24 -0.26 0.00 -0.05 0.00 0.00 56.93 57.00 3faw s PHE 903 Cb 0.14 0.29 0.02 0.00 -0.63 0.00 0.00 43.02 42.85 3faw s PHE 903 CO 0.51 -0.64 0.94 -2.00 -0.05 0.00 0.00 175.22 173.98 3faw s GLU 904 N -2.84 3.73 -0.41 1.99 2.56 -1.26 -4.44 118.70 118.02 3faw s GLU 904 Ca -0.03 0.44 -0.11 0.00 0.00 0.00 0.00 54.97 55.26 3faw s GLU 904 Cb -0.00 -3.85 0.06 0.00 2.00 0.00 0.00 34.13 32.33 3faw s GLU 904 CO -0.05 -1.07 0.27 0.00 -0.56 0.00 0.00 175.26 173.84 3faw s ALA 905 N 3.64 3.34 -2.07 6.30 0.00 -1.26 -3.42 121.76 128.30 3faw s ALA 905 Ca 0.38 -1.97 0.30 0.00 0.00 0.00 0.00 51.96 50.68 3faw s ALA 905 Cb -0.11 -2.72 1.51 0.00 0.00 0.00 0.00 23.12 21.81 3faw s ALA 905 CO 0.22 -1.56 2.01 -0.40 0.00 0.00 0.00 175.76 176.03 3faw n ASP 906 N 5.01 0.54 -3.79 0.00 5.75 -1.26 -4.79 116.55 118.00 3faw n ASP 906 Ca -0.11 -1.04 -0.13 0.00 -0.01 0.00 0.00 54.79 53.50 3faw n ASP 906 Cb 0.44 -0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 40.40 3faw n ASP 906 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3faw s SER 907 N -2.11 -0.22 0.48 -1.12 0.15 -1.26 -4.49 113.70 105.14 3faw s SER 907 Ca 0.41 0.34 0.17 0.00 0.70 0.00 0.00 55.95 57.57 3faw s SER 907 Cb 0.21 0.45 1.16 0.00 -1.71 0.00 0.00 66.02 66.13 3faw s SER 907 CO 0.38 -0.20 2.05 1.55 1.20 0.00 0.00 173.24 178.22 3faw h PRO 908 N 5.15 0.00 0.00 5.44 0.13 -1.84 -2.06 132.00 138.81 3faw h PRO 908 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3faw h PRO 908 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3faw h PRO 908 CO 0.36 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.66 3faw n GLY 909 N -1.12 -1.06 0.21 1.56 0.00 -1.26 -2.14 105.19 101.38 3faw n GLY 909 Ca -0.03 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.27 3faw n GLY 909 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3faw h ASP 910 N 0.00 0.00 -3.34 1.61 3.32 -1.70 -3.38 116.42 112.92 3faw h ASP 910 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 3faw h ASP 910 Cb 0.19 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.47 3faw h ASP 910 CO 0.00 0.00 -0.74 -0.69 -1.72 0.00 0.00 179.24 176.09 3faw s VAL 911 N -3.57 3.26 -0.40 -1.35 1.01 -0.91 -0.94 120.40 117.49 3faw s VAL 911 Ca 0.01 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 3faw s VAL 911 Cb 0.09 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3faw s VAL 911 CO 0.43 0.47 0.32 -0.69 0.00 0.00 0.00 175.10 175.63 3faw s VAL 912 N 0.98 5.23 -0.17 2.92 1.01 0.45 -1.62 120.40 129.21 3faw s VAL 912 Ca -0.01 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 3faw s VAL 912 Cb -0.15 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3faw s VAL 912 CO -0.00 -0.29 0.83 -1.10 0.00 0.00 0.00 175.10 174.54 3faw s GLN 913 N 1.76 4.30 0.10 2.72 -1.52 0.85 -0.94 119.66 126.93 3faw s GLN 913 Ca 0.06 1.01 -0.17 0.00 -1.95 0.00 0.00 55.36 54.31 3faw s GLN 913 Cb -0.18 -3.57 0.04 0.00 -0.22 0.00 0.00 33.01 29.07 3faw s GLN 913 CO 0.11 -0.32 0.41 1.52 -0.25 0.00 0.00 175.29 176.76 3faw s TYR 914 N 2.11 -0.24 0.00 0.91 1.13 -1.26 -1.51 117.35 118.49 3faw s TYR 914 Ca 0.38 0.02 0.00 0.00 -1.41 0.00 0.00 57.07 56.07 3faw s TYR 914 Cb -0.17 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.95 3faw s TYR 914 CO 0.13 -0.66 0.09 0.44 -2.51 0.00 0.00 175.55 173.04 3faw n ILE 915 N 0.04 0.00 -3.69 -3.49 -5.35 -1.26 -3.32 119.36 102.29 3faw n ILE 915 Ca -0.17 -0.32 -0.10 0.00 -0.27 0.00 0.00 62.75 61.89 3faw n ILE 915 Cb 0.62 1.10 -0.04 0.00 -1.74 0.00 0.00 39.64 39.58 3faw n ILE 915 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3faw s ALA 916 N -0.45 -0.88 0.19 -1.28 0.00 -1.26 -4.82 121.76 113.26 3faw s ALA 916 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 51.70 3faw s ALA 916 Cb 0.00 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.93 3faw s ALA 916 CO 0.00 -0.71 0.47 0.00 0.00 0.00 0.00 175.76 175.53 3faw n ALA 917 N -0.27 -1.11 0.09 0.00 0.00 -1.26 -4.11 120.51 113.84 3faw n ALA 917 Ca -0.13 -0.66 0.07 0.00 0.00 0.00 0.00 53.44 52.71 3faw n ALA 917 Cb 0.63 0.49 0.52 0.00 0.00 0.00 0.00 19.45 21.10 3faw n ALA 917 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3faw h HIS 918 N 1.55 0.30 -4.04 0.00 2.07 -1.96 -3.43 115.15 109.63 3faw h HIS 918 Ca -0.18 0.01 -0.48 0.00 -2.85 0.00 0.00 60.37 56.87 3faw h HIS 918 Cb 0.68 -0.10 0.01 0.00 2.57 0.00 0.00 27.41 30.57 3faw h HIS 918 CO 0.00 0.18 0.30 0.16 -3.07 0.00 0.00 177.93 175.50 3faw s ASP 919 N -6.76 6.63 0.35 3.10 1.47 -1.26 -4.72 116.67 115.47 3faw s ASP 919 Ca -0.07 1.46 0.00 0.00 1.18 0.00 0.00 52.55 55.12 3faw s ASP 919 Cb 0.18 -2.46 0.00 0.00 -0.34 0.00 0.00 42.92 40.30 3faw s ASP 919 CO 0.71 -0.51 0.00 0.59 0.68 0.00 0.00 175.17 176.64 3faw n ASN 920 N -1.39 -5.48 -4.76 2.11 3.02 -0.54 -4.82 115.26 103.40 3faw n ASN 920 Ca 0.05 0.80 -0.38 0.00 -0.03 0.00 0.00 54.58 55.03 3faw n ASN 920 Cb 0.54 -2.26 0.03 0.00 -0.61 0.00 0.00 39.78 37.48 3faw n ASN 920 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3faw s LEU 921 N 0.00 3.89 0.88 3.41 1.43 -1.25 -4.61 118.68 122.43 3faw s LEU 921 Ca 0.00 2.62 -0.10 0.00 -1.03 0.00 0.00 54.13 55.62 3faw s LEU 921 Cb 0.00 -4.27 0.12 0.00 0.03 0.00 0.00 46.19 42.07 3faw s LEU 921 CO 0.00 -1.38 1.12 0.42 0.23 0.00 0.00 176.35 176.74 3faw s THR 922 N -1.38 2.52 0.23 5.49 -4.23 -1.26 -4.73 115.64 112.28 3faw s THR 922 Ca 0.69 0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 61.31 3faw s THR 922 Cb -0.37 -2.38 0.19 0.00 1.34 0.00 0.00 72.50 71.29 3faw s THR 922 CO 0.44 -0.22 1.83 0.25 -0.54 0.00 0.00 174.62 176.37 3faw h LEU 923 N -1.65 0.72 0.10 4.79 5.85 -1.88 -0.32 115.31 122.92 3faw h LEU 923 Ca -0.45 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 3faw h LEU 923 Cb 1.26 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3faw h LEU 923 CO 0.46 0.45 -0.05 -0.74 -0.34 0.00 0.00 178.44 178.22 3faw h HIS 924 N 0.84 -0.12 -0.35 1.25 2.76 -1.87 -2.42 115.15 115.24 3faw h HIS 924 Ca 0.36 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.41 3faw h HIS 924 Cb 0.22 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3faw h HIS 924 CO -0.05 -0.05 -0.25 -0.44 -1.30 0.00 0.00 177.93 175.84 3faw h ASP 925 N -0.16 0.71 0.29 3.26 3.32 -1.67 -1.90 116.42 120.27 3faw h ASP 925 Ca -0.01 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 3faw h ASP 925 Cb 0.13 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3faw h ASP 925 CO 0.02 0.94 -0.65 1.62 -1.72 0.00 0.00 179.24 179.45 3faw h VAL 926 N 0.61 1.38 -0.16 -1.35 3.04 -1.11 -1.20 116.25 117.46 3faw h VAL 926 Ca 0.08 -2.03 -0.01 0.00 -1.01 0.00 0.00 66.70 63.74 3faw h VAL 926 Cb 0.74 2.02 -0.01 0.00 -2.01 0.00 0.00 31.29 32.03 3faw h VAL 926 CO 0.06 0.61 0.08 0.40 -1.01 0.00 0.00 177.57 177.70 3faw h ILE 927 N 0.25 1.12 -0.75 3.17 2.04 -1.23 0.12 117.51 122.22 3faw h ILE 927 Ca -0.01 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 3faw h ILE 927 Cb 1.19 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 3faw h ILE 927 CO 0.11 0.11 0.33 0.00 0.00 0.00 0.00 178.15 178.70 3faw h ALA 928 N 0.95 1.16 -0.32 1.87 0.00 -1.26 -1.81 119.26 119.85 3faw h ALA 928 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3faw h ALA 928 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3faw h ALA 928 CO -0.01 0.62 -0.04 -0.22 0.00 0.00 0.00 179.25 179.60 3faw h LYS 929 N 1.08 0.59 -0.63 0.00 1.63 -1.14 -0.90 116.57 117.20 3faw h LYS 929 Ca 0.26 -0.21 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 3faw h LYS 929 Cb 0.16 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 3faw h LYS 929 CO -0.03 0.75 0.12 0.77 -3.45 0.00 0.00 179.45 177.61 3faw h SER 930 N 0.37 0.99 0.55 4.20 0.02 -0.38 -2.31 113.55 116.99 3faw h SER 930 Ca 0.09 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3faw h SER 930 Cb 0.51 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3faw h SER 930 CO 0.02 0.99 -0.30 2.30 -1.14 0.00 0.00 176.83 178.70 3faw n ILE 931 N -4.28 0.00 -3.43 3.27 -5.35 -0.72 -4.43 119.36 104.42 3faw n ILE 931 Ca 0.04 -0.03 -0.21 0.00 -0.27 0.00 0.00 62.75 62.28 3faw n ILE 931 Cb 0.27 0.06 0.05 0.00 -1.74 0.00 0.00 39.64 38.27 3faw n ILE 931 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3faw n ASN 932 N -1.30 -6.17 -4.11 7.28 4.05 -0.44 -5.04 115.26 109.53 3faw n ASN 932 Ca 0.08 -0.77 -0.17 0.00 0.45 0.00 0.00 54.58 54.17 3faw n ASN 932 Cb 0.33 -4.29 -0.12 0.00 1.23 0.00 0.00 39.78 36.92 3faw n ASN 932 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3faw s LYS 933 N -4.92 0.73 -0.20 1.20 1.02 -0.60 -4.62 119.74 112.35 3faw s LYS 933 Ca 0.39 -0.76 -0.28 0.00 0.02 0.00 0.00 55.97 55.34 3faw s LYS 933 Cb -0.10 -0.66 -0.00 0.00 -0.52 0.00 0.00 37.83 36.55 3faw s LYS 933 CO 0.80 0.15 0.96 0.34 -0.92 0.00 0.00 175.35 176.68 3faw s ASP 934 N -1.36 7.05 0.66 2.83 -1.08 -1.26 -4.72 116.67 118.78 3faw s ASP 934 Ca -0.03 1.30 0.34 0.00 -0.52 0.00 0.00 52.55 53.64 3faw s ASP 934 Cb -0.09 -2.51 1.85 0.00 -1.46 0.00 0.00 42.92 40.72 3faw s ASP 934 CO 0.01 -0.56 2.06 -0.65 0.52 0.00 0.00 175.17 176.55 3faw h PRO 935 N 7.42 0.00 -0.19 4.34 0.11 -1.95 0.53 132.00 142.27 3faw h PRO 935 Ca -0.23 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 3faw h PRO 935 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3faw h PRO 935 CO 0.92 0.00 0.03 -0.22 -0.21 0.00 0.00 178.00 178.51 3faw h LYS 936 N 0.00 0.26 0.00 1.05 3.64 -1.98 -2.81 116.57 116.73 3faw h LYS 936 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3faw h LYS 936 Cb 0.49 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3faw h LYS 936 CO -0.00 0.27 -0.86 1.33 -2.27 0.00 0.00 179.45 177.92 3faw n VAL 937 N -4.41 0.00 -1.30 2.00 0.24 -0.74 -4.78 118.33 109.34 3faw n VAL 937 Ca -0.00 -0.21 0.08 0.00 -2.04 0.00 0.00 64.34 62.17 3faw n VAL 937 Cb 0.16 0.61 0.16 0.00 -1.47 0.00 0.00 33.84 33.29 3faw n VAL 937 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3faw n ALA 938 N -1.47 2.73 -0.27 2.33 0.00 0.10 -4.79 120.51 119.14 3faw n ALA 938 Ca -0.00 -2.80 0.04 0.00 0.00 0.00 0.00 53.44 50.67 3faw n ALA 938 Cb 0.10 -0.38 0.17 0.00 0.00 0.00 0.00 19.45 19.35 3faw n ALA 938 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3faw h GLU 939 N 0.35 0.62 -0.34 0.00 4.81 -1.70 -1.89 114.58 116.42 3faw h GLU 939 Ca -0.00 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3faw h GLU 939 Cb 1.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 3faw h GLU 939 CO 0.00 0.41 -0.01 1.49 -0.73 0.00 0.00 179.01 180.18 3faw h GLU 940 N 0.64 0.61 -0.30 1.92 4.57 -1.89 -2.25 114.58 117.88 3faw h GLU 940 Ca 0.40 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 3faw h GLU 940 Cb 0.47 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3faw h GLU 940 CO -0.30 0.73 0.06 0.22 -1.18 0.00 0.00 179.01 178.54 3faw h ASP 941 N 0.41 0.47 -0.61 1.04 3.58 -1.87 -1.49 116.42 117.95 3faw h ASP 941 Ca 0.10 -0.25 0.08 0.00 0.42 0.00 0.00 57.03 57.38 3faw h ASP 941 Cb 0.46 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.32 3faw h ASP 941 CO 0.02 0.60 0.29 0.40 -2.88 0.00 0.00 179.24 177.66 3faw h ILE 942 N 0.33 0.87 -0.11 2.25 2.04 -1.29 -1.53 117.51 120.06 3faw h ILE 942 Ca 0.09 -0.18 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 3faw h ILE 942 Cb 0.32 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3faw h ILE 942 CO 0.00 0.09 -0.51 0.45 0.00 0.00 0.00 178.15 178.19 3faw h HIS 943 N 0.52 0.38 -0.61 1.37 3.86 -1.27 0.10 115.15 119.49 3faw h HIS 943 Ca 0.29 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3faw h HIS 943 Cb 0.28 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 3faw h HIS 943 CO -0.12 0.76 0.39 0.00 0.86 0.00 0.00 177.93 179.81 3faw h ARG 944 N 0.24 0.76 -0.41 2.45 3.08 -0.61 -0.17 114.38 119.71 3faw h ARG 944 Ca 0.01 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 3faw h ARG 944 Cb 0.98 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3faw h ARG 944 CO 0.08 0.50 -0.26 0.00 -1.07 0.00 0.00 179.97 179.22 3faw h ARG 945 N 0.78 0.86 -0.68 0.04 3.08 -1.08 -2.91 114.38 114.47 3faw h ARG 945 Ca 0.24 -0.38 0.01 0.00 0.07 0.00 0.00 59.98 59.92 3faw h ARG 945 Cb -0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3faw h ARG 945 CO -0.08 1.02 0.44 1.25 -1.07 0.00 0.00 179.97 181.53 3faw h LEU 946 N 0.74 0.78 -1.20 3.04 6.46 -0.61 -2.62 115.31 121.90 3faw h LEU 946 Ca 0.09 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.76 3faw h LEU 946 Cb 0.81 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 3faw h LEU 946 CO 0.07 0.57 -0.12 0.03 -0.62 0.00 0.00 178.44 178.38 3faw h ARG 947 N 0.92 0.41 -0.54 1.25 3.08 -0.98 -2.11 114.38 116.41 3faw h ARG 947 Ca 0.25 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3faw h ARG 947 Cb -0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3faw h ARG 947 CO -0.05 0.53 0.31 -0.07 -1.07 0.00 0.00 179.97 179.62 3faw h LEU 948 N 0.38 0.66 -0.61 3.04 3.38 -1.27 -1.39 115.31 119.50 3faw h LEU 948 Ca 0.07 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3faw h LEU 948 Cb 0.44 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3faw h LEU 948 CO 0.03 0.54 0.36 1.23 0.09 0.00 0.00 178.44 180.69 3faw h GLY 949 N 0.72 0.88 1.43 0.83 0.00 -1.06 -2.23 103.07 103.63 3faw h GLY 949 Ca 0.19 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 3faw h GLY 949 CO -0.03 0.21 -0.25 3.43 0.00 0.00 0.00 176.54 179.90 3faw h ASN 950 N 0.71 0.67 -0.25 0.19 4.21 -1.23 -2.38 115.58 117.49 3faw h ASN 950 Ca 0.25 -0.24 0.03 0.00 1.21 0.00 0.00 56.30 57.55 3faw h ASN 950 Cb 0.06 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.05 3faw h ASN 950 CO -0.12 0.90 0.08 0.58 -1.29 0.00 0.00 177.43 177.58 3faw h VAL 951 N 0.57 0.93 -0.45 2.81 2.07 -1.00 -2.01 116.25 119.18 3faw h VAL 951 Ca 0.08 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 3faw h VAL 951 Cb 0.73 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3faw h VAL 951 CO 0.06 0.04 0.03 0.24 0.02 0.00 0.00 177.57 177.95 3faw h MET 952 N 0.20 0.77 -0.63 1.57 2.86 -1.21 -1.97 114.93 116.52 3faw h MET 952 Ca 0.11 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 3faw h MET 952 Cb 0.08 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3faw h MET 952 CO -0.12 0.82 0.24 0.82 1.06 0.00 0.00 176.91 179.73 3faw h ILE 953 N 0.62 1.24 -0.00 -1.22 1.08 -1.42 -2.49 117.51 115.31 3faw h ILE 953 Ca 0.13 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 3faw h ILE 953 Cb 0.45 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 3faw h ILE 953 CO 0.02 0.29 -0.06 0.18 -0.69 0.00 0.00 178.15 177.89 3faw n LEU 954 N -4.43 0.49 -0.17 1.44 4.77 -0.76 -2.92 117.00 115.43 3faw n LEU 954 Ca 0.04 -0.06 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 3faw n LEU 954 Cb 0.18 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3faw n LEU 954 CO 0.39 0.09 0.49 0.35 -1.33 0.00 0.00 177.39 177.38 3faw n THR 955 N -0.81 0.80 -3.37 -5.08 -2.24 -0.76 -4.56 114.28 98.27 3faw n THR 955 Ca 0.17 -0.90 -0.33 0.00 -2.27 0.00 0.00 64.05 60.72 3faw n THR 955 Cb 0.25 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 3faw n THR 955 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3faw s SER 956 N -0.85 6.71 0.90 3.42 0.01 -0.94 -4.88 113.70 118.06 3faw s SER 956 Ca 0.06 1.01 -0.11 0.00 1.31 0.00 0.00 55.95 58.22 3faw s SER 956 Cb 0.03 -2.26 0.13 0.00 0.21 0.00 0.00 66.02 64.13 3faw s SER 956 CO 0.04 -0.03 1.10 -1.10 0.41 0.00 0.00 173.24 173.66 3faw s GLN 957 N -2.55 1.19 0.36 12.44 -1.52 0.13 -4.85 119.66 124.87 3faw s GLN 957 Ca 0.45 1.06 0.00 0.00 -1.95 0.00 0.00 55.36 54.92 3faw s GLN 957 Cb -0.12 -1.78 0.00 0.00 -0.22 0.00 0.00 33.01 30.88 3faw s GLN 957 CO 0.20 -2.35 0.00 0.41 -0.25 0.00 0.00 175.29 173.30 3faw n GLY 958 N -0.64 -1.53 3.67 3.09 0.00 -1.26 -4.43 105.19 104.10 3faw n GLY 958 Ca 0.08 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3faw n GLY 958 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3faw s THR 959 N 0.00 5.21 -0.03 2.61 2.01 -0.64 -4.66 115.64 120.14 3faw s THR 959 Ca 0.00 0.67 -0.22 0.00 0.31 0.00 0.00 61.69 62.45 3faw s THR 959 Cb 0.00 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 3faw s THR 959 CO 0.00 0.26 0.64 0.00 -0.69 0.00 0.00 174.62 174.83 3faw s ALA 960 N 1.29 3.42 -0.08 7.40 0.00 -1.13 -0.10 121.76 132.56 3faw s ALA 960 Ca 0.18 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.25 3faw s ALA 960 Cb -0.15 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3faw s ALA 960 CO 0.08 0.05 -0.17 0.12 0.00 0.00 0.00 175.76 175.84 3faw s PHE 961 N 0.21 1.92 -0.09 0.00 5.36 -0.57 -1.22 117.98 123.60 3faw s PHE 961 Ca 0.34 -0.75 0.03 0.00 -0.96 0.00 0.00 56.93 55.59 3faw s PHE 961 Cb -0.18 -1.34 0.01 0.00 -0.34 0.00 0.00 43.02 41.17 3faw s PHE 961 CO 0.18 -0.33 -0.16 0.42 -1.46 0.00 0.00 175.22 173.86 3faw s ILE 962 N 0.51 1.49 0.18 3.12 -1.09 0.59 -4.59 121.20 121.41 3faw s ILE 962 Ca -0.16 -0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 57.28 3faw s ILE 962 Cb -0.17 -1.33 -0.08 0.00 -1.58 0.00 0.00 42.46 39.30 3faw s ILE 962 CO 0.06 0.44 1.06 -2.28 -1.23 0.00 0.00 174.94 172.98 3faw s HIS 963 N 0.65 3.68 0.02 3.97 5.65 -1.26 -1.41 115.29 126.59 3faw s HIS 963 Ca -0.14 1.68 -0.33 0.00 0.25 0.00 0.00 55.06 56.52 3faw s HIS 963 Cb -0.16 -3.20 -0.12 0.00 -1.18 0.00 0.00 32.58 27.92 3faw s HIS 963 CO 0.04 -0.33 1.82 0.45 -0.65 0.00 0.00 174.74 176.06 3faw n SER 964 N 2.22 3.56 0.00 9.88 2.88 -0.19 -0.33 113.62 131.63 3faw n SER 964 Ca 0.02 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 3faw n SER 964 Cb 0.47 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 3faw n SER 964 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3faw n GLY 965 N 4.17 2.05 0.26 0.46 0.00 -1.26 -4.91 105.19 105.95 3faw n GLY 965 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 3faw n GLY 965 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3faw h GLN 966 N 3.35 0.00 0.00 1.61 4.15 -1.05 -0.46 115.11 122.70 3faw h GLN 966 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 3faw h GLN 966 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3faw h GLN 966 CO 0.00 0.07 -0.27 1.05 -1.93 0.00 0.00 178.83 177.75 3faw h GLU 967 N 0.00 0.00 0.00 1.69 9.09 -1.91 -3.32 114.58 120.13 3faw h GLU 967 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3faw h GLU 967 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 3faw h GLU 967 CO 0.01 0.27 -0.46 2.48 0.05 0.00 0.00 179.01 181.36 3faw n TYR 968 N -3.78 0.00 -0.40 2.06 0.18 -0.93 -1.88 117.16 112.41 3faw n TYR 968 Ca -0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.77 3faw n TYR 968 Cb 0.36 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.30 3faw n TYR 968 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3faw n GLY 969 N 1.35 0.68 3.67 -7.48 0.00 -0.37 -4.57 105.19 98.48 3faw n GLY 969 Ca 0.01 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 3faw n GLY 969 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3faw n ARG 970 N -0.15 1.91 -4.25 1.61 0.63 -0.33 -4.79 116.66 111.30 3faw n ARG 970 Ca 0.00 0.67 -0.20 0.00 -0.92 0.00 0.00 57.85 57.40 3faw n ARG 970 Cb 0.09 -2.22 -0.12 0.00 0.45 0.00 0.00 32.46 30.66 3faw n ARG 970 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3faw s THR 971 N -1.11 1.46 -0.35 5.15 -1.32 -1.26 -4.26 115.64 113.95 3faw s THR 971 Ca 0.57 -1.59 0.10 0.00 -1.21 0.00 0.00 61.69 59.55 3faw s THR 971 Cb -0.59 -1.47 0.45 0.00 -1.51 0.00 0.00 72.50 69.38 3faw s THR 971 CO 0.61 -0.25 1.12 0.29 -2.21 0.00 0.00 174.62 174.18 3faw n LYS 972 N 0.84 2.99 -2.33 7.08 5.02 -1.26 -4.94 118.16 125.56 3faw n LYS 972 Ca -0.18 -4.11 -0.41 0.00 -2.02 0.00 0.00 58.31 51.60 3faw n LYS 972 Cb 0.55 -2.05 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 3faw n LYS 972 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3faw s ARG 973 N -3.53 4.50 -1.00 1.97 3.52 -1.26 -1.14 118.95 122.00 3faw s ARG 973 Ca 0.44 1.95 -0.20 0.00 -0.13 0.00 0.00 55.73 57.79 3faw s ARG 973 Cb 0.40 -3.18 0.10 0.00 -1.56 0.00 0.00 34.95 30.71 3faw s ARG 973 CO -0.06 -0.04 1.30 -1.17 -0.81 0.00 0.00 175.30 174.52 3faw s LEU 974 N -0.91 4.41 -0.99 -0.88 2.96 0.04 -4.90 118.68 118.43 3faw s LEU 974 Ca 0.50 -1.91 -0.07 0.00 -0.22 0.00 0.00 54.13 52.43 3faw s LEU 974 Cb -0.34 -2.47 -0.08 0.00 0.50 0.00 0.00 46.19 43.79 3faw s LEU 974 CO 0.41 -1.21 3.02 0.18 -1.32 0.00 0.00 176.35 177.43 3faw n LEU 975 N 7.45 7.41 -4.54 -0.68 4.77 -1.26 -4.74 117.00 125.40 3faw n LEU 975 Ca 0.29 -4.10 -0.35 0.00 -0.03 0.00 0.00 56.01 51.82 3faw n LEU 975 Cb 0.49 -1.45 -0.11 0.00 -2.33 0.00 0.00 43.42 40.02 3faw n LEU 975 CO 0.58 1.93 -0.28 0.21 -1.33 0.00 0.00 177.39 178.50 3faw s ASN 976 N 1.58 5.30 0.46 -1.43 3.84 -1.26 -4.66 114.94 118.77 3faw s ASN 976 Ca 0.65 -0.06 0.26 0.00 0.21 0.00 0.00 52.86 53.92 3faw s ASN 976 Cb 0.24 -1.91 1.30 0.00 -0.55 0.00 0.00 41.25 40.33 3faw s ASN 976 CO -0.07 0.10 1.80 -0.65 -2.79 0.00 0.00 177.10 175.50 3faw h PRO 977 N 7.20 0.21 0.00 0.43 0.11 -1.94 0.18 132.00 138.20 3faw h PRO 977 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3faw h PRO 977 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3faw h PRO 977 CO 0.64 0.14 0.00 -0.44 -0.21 0.00 0.00 178.00 178.13 3faw h ASP 978 N 0.22 0.00 -0.99 -2.05 3.32 -1.97 -2.90 116.42 112.04 3faw h ASP 978 Ca 0.56 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 57.06 3faw h ASP 978 Cb 1.76 0.00 -0.43 0.00 0.22 0.00 0.00 39.33 40.89 3faw h ASP 978 CO -0.16 0.00 -0.81 -1.22 -1.72 0.00 0.00 179.24 175.33 3faw n TYR 979 N -2.88 2.89 -0.06 4.55 4.01 0.61 -4.75 117.16 121.54 3faw n TYR 979 Ca 0.01 -2.52 -0.01 0.00 -0.16 0.00 0.00 57.90 55.22 3faw n TYR 979 Cb 0.26 -0.25 0.27 0.00 -0.31 0.00 0.00 39.34 39.31 3faw n TYR 979 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 3faw h MET 980 N 2.34 0.66 -4.62 -0.72 1.85 -1.40 -3.36 114.93 109.68 3faw h MET 980 Ca 0.32 -0.12 -0.24 0.00 -0.61 0.00 0.00 59.70 59.05 3faw h MET 980 Cb 1.32 -0.10 -0.15 0.00 0.43 0.00 0.00 31.60 33.10 3faw h MET 980 CO 0.77 0.61 -0.66 0.95 -0.40 0.00 0.00 176.91 178.18 3faw s THR 981 N -5.14 0.41 0.10 -0.77 -4.23 -1.26 0.09 115.64 104.83 3faw s THR 981 Ca -0.09 -1.94 -0.36 0.00 -1.18 0.00 0.00 61.69 58.12 3faw s THR 981 Cb 0.16 -2.08 -0.16 0.00 1.34 0.00 0.00 72.50 71.76 3faw s THR 981 CO 0.78 -0.47 1.45 1.17 -0.54 0.00 0.00 174.62 177.00 3faw n LYS 982 N -0.17 1.52 -3.56 3.99 4.81 -1.26 -4.92 118.16 118.57 3faw n LYS 982 Ca -0.06 0.55 -0.23 0.00 -0.87 0.00 0.00 58.31 57.70 3faw n LYS 982 Cb 0.63 -2.24 0.01 0.00 0.02 0.00 0.00 35.03 33.45 3faw n LYS 982 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3faw s VAL 983 N 0.80 2.08 0.68 3.15 -7.23 -1.26 -5.12 120.40 113.50 3faw s VAL 983 Ca 0.83 -1.31 -0.13 0.00 -1.81 0.00 0.00 61.98 59.56 3faw s VAL 983 Cb -0.86 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 33.70 3faw s VAL 983 CO 0.44 0.00 1.07 -0.44 -0.31 0.00 0.00 175.10 175.87 3faw s SER 984 N -4.34 5.25 0.45 4.85 0.01 -1.26 -4.89 113.70 113.77 3faw s SER 984 Ca 0.45 1.78 0.17 0.00 1.31 0.00 0.00 55.95 59.67 3faw s SER 984 Cb -0.04 -2.52 1.12 0.00 0.21 0.00 0.00 66.02 64.79 3faw s SER 984 CO 0.28 -1.53 1.94 0.44 0.41 0.00 0.00 173.24 174.78 3faw h ASP 985 N -0.37 0.31 0.02 2.44 5.19 -1.99 -1.62 116.42 120.40 3faw h ASP 985 Ca -0.45 0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 55.84 3faw h ASP 985 Cb 1.22 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 3faw h ASP 985 CO 0.55 0.16 -0.43 0.44 -3.12 0.00 0.00 179.24 176.84 3faw h ASP 986 N 0.33 0.54 -0.52 6.45 5.19 -2.06 -3.26 116.42 123.10 3faw h ASP 986 Ca 0.33 -0.25 -0.12 0.00 -0.62 0.00 0.00 57.03 56.38 3faw h ASP 986 Cb 0.84 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 40.13 3faw h ASP 986 CO -0.09 0.90 0.11 0.29 -3.12 0.00 0.00 179.24 177.33 3faw n LYS 987 N -4.01 3.37 -1.80 3.56 5.02 -0.64 -5.02 118.16 118.63 3faw n LYS 987 Ca -0.02 -3.04 -0.40 0.00 -2.02 0.00 0.00 58.31 52.83 3faw n LYS 987 Cb 0.53 -2.06 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 3faw n LYS 987 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3faw s LEU 988 N -2.96 4.14 0.50 -0.35 1.43 -1.02 -4.81 118.68 115.61 3faw s LEU 988 Ca 0.50 2.93 -0.21 0.00 -1.03 0.00 0.00 54.13 56.32 3faw s LEU 988 Cb 0.40 -3.91 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 3faw s LEU 988 CO 0.11 -1.14 1.09 -2.16 0.23 0.00 0.00 176.35 174.48 3faw s PRO 989 N -2.41 3.64 0.20 1.29 0.04 -1.26 -4.97 135.00 131.54 3faw s PRO 989 Ca 0.60 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 3faw s PRO 989 Cb -0.44 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 3faw s PRO 989 CO 0.57 -0.59 1.39 1.21 0.04 0.00 0.00 177.00 179.61 3faw s ASN 990 N -1.78 6.77 -1.46 6.66 2.47 -1.26 -3.52 114.94 122.81 3faw s ASN 990 Ca 0.68 2.51 -0.09 0.00 0.42 0.00 0.00 52.86 56.38 3faw s ASN 990 Cb -0.21 -2.61 0.04 0.00 -1.45 0.00 0.00 41.25 37.01 3faw s ASN 990 CO 0.25 -0.63 0.82 0.29 -3.72 0.00 0.00 177.10 174.11 3faw n LYS 991 N 2.77 -5.57 -4.25 0.43 4.76 -1.26 -4.76 118.16 110.29 3faw n LYS 991 Ca 0.08 0.75 -0.29 0.00 -2.87 0.00 0.00 58.31 55.98 3faw n LYS 991 Cb 0.41 -5.65 -0.10 0.00 -1.84 0.00 0.00 35.03 27.86 3faw n LYS 991 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3faw s ALA 992 N -3.20 2.90 -0.10 7.82 0.00 -1.23 -1.40 121.76 126.55 3faw s ALA 992 Ca 0.47 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 51.16 3faw s ALA 992 Cb -0.22 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.08 3faw s ALA 992 CO 0.58 0.60 -0.22 0.99 0.00 0.00 0.00 175.76 177.71 3faw s THR 993 N -1.29 1.94 -0.07 0.00 2.01 0.23 -4.89 115.64 113.57 3faw s THR 993 Ca 0.21 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 61.03 3faw s THR 993 Cb -0.11 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 3faw s THR 993 CO 0.13 0.53 0.71 -0.22 -0.69 0.00 0.00 174.62 175.08 3faw s LEU 994 N 0.42 4.31 -0.36 4.42 2.96 -1.26 -0.69 118.68 128.49 3faw s LEU 994 Ca -0.17 1.19 -0.10 0.00 -0.22 0.00 0.00 54.13 54.83 3faw s LEU 994 Cb -0.18 -3.09 0.02 0.00 0.50 0.00 0.00 46.19 43.45 3faw s LEU 994 CO 0.07 -0.13 0.18 -0.63 -1.32 0.00 0.00 176.35 174.53 3faw s ILE 995 N 0.84 4.46 0.44 6.68 1.09 -0.62 -5.00 121.20 129.09 3faw s ILE 995 Ca 0.38 -0.82 0.10 0.00 -1.10 0.00 0.00 60.65 59.21 3faw s ILE 995 Cb -0.18 -3.45 0.26 0.00 -1.06 0.00 0.00 42.46 38.03 3faw s ILE 995 CO 0.18 -0.17 2.08 -0.33 -0.10 0.00 0.00 174.94 176.60 3faw h GLU 996 N 8.39 0.34 0.00 2.79 3.07 -1.94 -2.58 114.58 124.65 3faw h GLU 996 Ca -0.27 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 3faw h GLU 996 Cb 1.11 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3faw h GLU 996 CO 0.65 0.25 0.00 0.00 -1.40 0.00 0.00 179.01 178.51 3faw n ALA 997 N -2.50 2.01 -2.49 3.43 0.00 -1.26 -4.78 120.51 114.91 3faw n ALA 997 Ca 0.01 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 3faw n ALA 997 Cb 0.09 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 3faw n ALA 997 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3faw s VAL 998 N -3.18 4.66 -0.17 0.00 1.01 -0.97 -4.40 120.40 117.35 3faw s VAL 998 Ca 0.08 2.03 -0.18 0.00 0.00 0.00 0.00 61.98 63.91 3faw s VAL 998 Cb 0.11 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 32.04 3faw s VAL 998 CO 0.50 0.23 0.24 0.11 0.00 0.00 0.00 175.10 176.17 3faw h LYS 999 N 6.23 0.00 -5.21 2.72 1.57 -1.89 -3.43 116.57 116.56 3faw h LYS 999 Ca -0.42 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.72 3faw h LYS 999 Cb 1.22 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.29 3faw h LYS 999 CO 0.74 0.69 -0.69 -1.21 -0.57 0.00 0.00 179.45 178.40 3faw s GLU 1000N -2.22 3.56 -0.70 3.15 2.02 -1.26 -4.65 118.70 118.60 3faw s GLU 1000Ca -0.21 -0.57 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 3faw s GLU 1000Cb 0.02 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.34 3faw s GLU 1000CO 0.47 0.11 0.69 0.66 0.02 0.00 0.00 175.26 177.21 3faw n TYR 1001N 3.90 -3.04 1.11 1.61 4.01 0.11 -4.96 117.16 119.91 3faw n TYR 1001Ca -0.18 1.17 0.13 0.00 -0.16 0.00 0.00 57.90 58.87 3faw n TYR 1001Cb 0.52 -4.09 0.49 0.00 -0.31 0.00 0.00 39.34 35.95 3faw n TYR 1001CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3faw n PRO 1002N -1.61 0.19 -3.47 -0.72 -0.04 -1.26 -4.79 135.00 123.30 3faw n PRO 1002Ca 0.01 -0.07 -0.37 0.00 -0.04 0.00 0.00 63.50 63.03 3faw n PRO 1002Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 3faw n PRO 1002CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3faw s TYR 1003N -2.85 3.58 -0.02 0.54 2.02 -1.26 -1.59 117.35 117.76 3faw s TYR 1003Ca 0.17 0.82 0.05 0.00 -0.37 0.00 0.00 57.07 57.75 3faw s TYR 1003Cb 0.19 -2.37 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 3faw s TYR 1003CO 0.57 0.39 -0.19 -0.06 -1.57 0.00 0.00 175.55 174.69 3faw s PHE 1004N -0.12 1.75 -0.16 2.71 0.08 0.14 -0.78 117.98 121.59 3faw s PHE 1004Ca 0.22 -0.39 -0.24 0.00 0.12 0.00 0.00 56.93 56.64 3faw s PHE 1004Cb -0.15 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 3faw s PHE 1004CO 0.09 -0.08 0.77 0.42 -0.10 0.00 0.00 175.22 176.32 3faw s ILE 1005N -0.30 4.93 -2.05 0.64 -1.09 -0.29 0.78 121.20 123.83 3faw s ILE 1005Ca 0.04 1.51 0.21 0.00 -2.23 0.00 0.00 60.65 60.17 3faw s ILE 1005Cb -0.09 -4.08 0.03 0.00 -1.58 0.00 0.00 42.46 36.74 3faw s ILE 1005CO 0.00 0.08 1.05 0.00 -1.23 0.00 0.00 174.94 174.84 3faw n HIS 1006N 4.98 0.00 -3.30 3.97 1.44 -0.49 -4.59 115.22 117.23 3faw n HIS 1006Ca 0.02 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.58 3faw n HIS 1006Cb 0.49 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.54 3faw n HIS 1006CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3faw s ASP 1007N -2.19 0.74 -0.32 4.39 2.15 -1.22 -1.47 116.67 118.75 3faw s ASP 1007Ca 0.19 -1.74 0.05 0.00 0.43 0.00 0.00 52.55 51.48 3faw s ASP 1007Cb 0.17 0.67 0.55 0.00 -0.30 0.00 0.00 42.92 44.01 3faw s ASP 1007CO 0.47 -0.22 1.67 -1.54 -0.17 0.00 0.00 175.17 175.38 3faw n SER 1008N 3.94 3.81 0.26 -0.34 3.41 -1.26 -4.52 113.62 118.92 3faw n SER 1008Ca 0.14 -3.15 0.08 0.00 -0.26 0.00 0.00 58.87 55.68 3faw n SER 1008Cb 0.47 -0.74 0.64 0.00 -0.26 0.00 0.00 64.21 64.32 3faw n SER 1008CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 3faw h TYR 1009N 1.25 0.00 -0.03 7.33 -0.00 -1.93 -2.87 116.97 120.72 3faw h TYR 1009Ca 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 59.07 3faw h TYR 1009Cb 2.31 0.00 -0.11 0.00 0.00 0.00 0.00 36.73 38.93 3faw h TYR 1009CO 1.17 0.05 -0.64 -3.47 -0.00 0.00 0.00 178.16 175.27 3faw n ASP 1010N -4.37 1.66 -4.97 0.10 2.03 -1.26 -3.44 116.55 106.30 3faw n ASP 1010Ca -0.03 -3.44 -0.21 0.00 0.52 0.00 0.00 54.79 51.62 3faw n ASP 1010Cb 0.13 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.05 3faw n ASP 1010CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3faw s SER 1011N -2.97 6.16 0.95 1.67 0.01 -1.09 -2.19 113.70 116.24 3faw s SER 1011Ca 0.37 0.13 -0.12 0.00 1.31 0.00 0.00 55.95 57.65 3faw s SER 1011Cb 0.38 -1.70 0.16 0.00 0.21 0.00 0.00 66.02 65.07 3faw s SER 1011CO -0.09 -0.31 1.11 -0.94 0.41 0.00 0.00 173.24 173.42 3faw s SER 1012N -4.08 3.06 0.43 2.44 1.04 -0.80 -4.69 113.70 111.10 3faw s SER 1012Ca 0.40 1.16 0.10 0.00 0.48 0.00 0.00 55.95 58.10 3faw s SER 1012Cb -0.09 -1.81 0.94 0.00 0.10 0.00 0.00 66.02 65.16 3faw s SER 1012CO 0.33 -2.86 2.04 0.44 0.98 0.00 0.00 173.24 174.17 3faw h ASP 1013N -1.70 0.27 -0.85 7.02 3.32 -1.82 -0.66 116.42 122.01 3faw h ASP 1013Ca -0.52 -0.02 0.09 0.00 0.02 0.00 0.00 57.03 56.60 3faw h ASP 1013Cb 1.32 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.73 3faw h ASP 1013CO 0.59 0.27 0.49 0.00 -1.72 0.00 0.00 179.24 178.87 3faw h ALA 1014N 1.78 1.21 -0.02 3.45 0.00 -1.68 -0.25 119.26 123.75 3faw h ALA 1014Ca 0.08 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3faw h ALA 1014Cb 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.74 3faw h ALA 1014CO -0.01 0.13 -0.52 0.82 0.00 0.00 0.00 179.25 179.67 3faw h ILE 1015N 0.83 1.44 0.00 0.00 1.08 -1.73 -3.39 117.51 115.73 3faw h ILE 1015Ca 0.41 -2.01 0.00 0.00 -0.39 0.00 0.00 64.86 62.87 3faw h ILE 1015Cb 0.36 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 36.66 3faw h ILE 1015CO -0.24 0.58 -0.60 0.59 -0.69 0.00 0.00 178.15 177.79 3faw n ASN 1016N -4.27 0.59 -4.77 1.72 3.02 -0.30 -4.69 115.26 106.56 3faw n ASN 1016Ca -0.10 -0.37 -0.37 0.00 -0.03 0.00 0.00 54.58 53.71 3faw n ASN 1016Cb 0.63 0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 40.17 3faw n ASN 1016CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3faw s HIS 1017N -3.01 2.97 0.00 3.10 -3.43 -0.13 -4.62 115.29 110.17 3faw s HIS 1017Ca 0.10 1.55 -0.30 0.00 -0.80 0.00 0.00 55.06 55.61 3faw s HIS 1017Cb 0.17 -3.35 -0.05 0.00 -1.43 0.00 0.00 32.58 27.92 3faw s HIS 1017CO 0.73 -1.35 1.34 0.12 -2.00 0.00 0.00 174.74 173.58 3faw s PHE 1018N -1.53 3.00 -0.72 0.38 5.36 -0.05 -4.97 117.98 119.45 3faw s PHE 1018Ca 0.61 0.95 -0.24 0.00 -0.96 0.00 0.00 56.93 57.30 3faw s PHE 1018Cb -0.28 -3.60 0.06 0.00 -0.34 0.00 0.00 43.02 38.86 3faw s PHE 1018CO 0.35 -2.11 1.09 0.34 -1.46 0.00 0.00 175.22 173.42 3faw s ASP 1019N 1.67 6.21 0.19 6.13 -1.08 -1.26 -4.45 116.67 124.08 3faw s ASP 1019Ca 0.62 -0.91 -0.01 0.00 -0.52 0.00 0.00 52.55 51.73 3faw s ASP 1019Cb -0.30 -2.47 0.12 0.00 -1.46 0.00 0.00 42.92 38.81 3faw s ASP 1019CO 0.26 -1.54 1.49 -0.50 0.52 0.00 0.00 175.17 175.40 3faw h TRP 1020N 9.67 0.56 0.01 -5.34 4.06 -1.97 -2.03 115.95 120.91 3faw h TRP 1020Ca -0.24 -0.22 -0.00 0.00 2.06 0.00 0.00 58.89 60.49 3faw h TRP 1020Cb 1.06 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.12 3faw h TRP 1020CO 1.04 0.95 -0.01 0.00 -3.56 0.00 0.00 178.44 176.86 3faw h ALA 1021N 1.00 -0.01 -0.46 1.49 0.00 -1.96 0.17 119.26 119.49 3faw h ALA 1021Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3faw h ALA 1021Cb 1.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3faw h ALA 1021CO 0.11 -0.48 0.31 0.00 0.00 0.00 0.00 179.25 179.19 3faw h ALA 1022N 0.92 1.72 0.09 0.00 0.00 -1.87 0.22 119.26 120.35 3faw h ALA 1022Ca -0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 3faw h ALA 1022Cb 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3faw h ALA 1022CO 0.00 0.24 -1.15 0.00 0.00 0.00 0.00 179.25 178.35 3faw h ALA 1023N 1.72 0.20 0.00 0.00 0.00 -1.04 -3.25 119.26 116.88 3faw h ALA 1023Ca 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3faw h ALA 1023Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3faw h ALA 1023CO -0.04 0.98 -0.40 0.25 0.00 0.00 0.00 179.25 180.04 3faw n THR 1024N -3.55 0.00 -2.77 0.00 -2.24 0.56 -4.68 114.28 101.61 3faw n THR 1024Ca -0.07 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 3faw n THR 1024Cb 0.97 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 3faw n THR 1024CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3faw s ASP 1025N -0.99 6.31 0.21 3.42 -1.08 0.75 -4.89 116.67 120.40 3faw s ASP 1025Ca 0.00 -1.16 -0.09 0.00 -0.52 0.00 0.00 52.55 50.78 3faw s ASP 1025Cb 0.00 -2.46 0.17 0.00 -1.46 0.00 0.00 42.92 39.16 3faw s ASP 1025CO 0.00 -1.45 1.83 0.78 0.52 0.00 0.00 175.17 176.85 3faw h ASN 1026N 9.54 1.00 -0.07 -0.34 2.35 -1.84 -1.85 115.58 124.37 3faw h ASN 1026Ca -0.13 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.49 3faw h ASN 1026Cb 1.05 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 3faw h ASN 1026CO 1.22 0.81 -0.10 0.78 -1.65 0.00 0.00 177.43 178.49 3faw h ASN 1027N 1.11 0.21 0.87 5.81 2.35 -1.96 -3.11 115.58 120.87 3faw h ASN 1027Ca 0.28 -0.51 -0.20 0.00 -0.55 0.00 0.00 56.30 55.32 3faw h ASN 1027Cb 0.03 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3faw h ASN 1027CO -0.05 0.68 -0.93 0.11 -1.65 0.00 0.00 177.43 175.60 3faw h LYS 1028N -0.25 0.03 -2.20 0.81 1.57 -1.93 -3.39 116.57 111.22 3faw h LYS 1028Ca 0.01 -0.04 -0.58 0.00 -1.87 0.00 0.00 60.65 58.17 3faw h LYS 1028Cb 0.63 0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.56 3faw h LYS 1028CO 0.02 0.93 -0.92 0.72 -0.57 0.00 0.00 179.45 179.63 3faw n HIS 1029N -3.47 0.74 0.19 -1.35 8.25 -0.70 -4.98 115.22 113.89 3faw n HIS 1029Ca -0.01 -3.71 0.02 0.00 -0.26 0.00 0.00 57.72 53.76 3faw n HIS 1029Cb 0.87 -0.31 0.36 0.00 1.12 0.00 0.00 29.99 32.03 3faw n HIS 1029CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3faw h PRO 1030N 4.44 0.00 -0.04 -0.41 0.13 -1.74 -2.62 132.00 131.75 3faw h PRO 1030Ca 0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.23 3faw h PRO 1030Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3faw h PRO 1030CO 0.55 0.37 -0.13 0.82 -0.23 0.00 0.00 178.00 179.38 3faw h ILE 1031N 0.00 1.45 -0.13 -3.56 2.04 -1.94 -2.10 117.51 113.28 3faw h ILE 1031Ca -0.00 -1.54 -0.14 0.00 1.00 0.00 0.00 64.86 64.18 3faw h ILE 1031Cb 0.66 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 3faw h ILE 1031CO 0.05 0.42 -0.51 0.77 0.00 0.00 0.00 178.15 178.88 3faw h SER 1032N -0.38 0.38 0.24 1.72 4.64 -1.80 -1.94 113.55 116.41 3faw h SER 1032Ca -0.00 -0.19 -0.16 0.00 -0.47 0.00 0.00 61.79 60.97 3faw h SER 1032Cb 0.75 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3faw h SER 1032CO 0.03 0.82 -0.62 0.71 -0.87 0.00 0.00 176.83 176.90 3faw h THR 1033N 0.27 1.37 -0.67 2.95 1.35 -1.50 -1.16 112.91 115.52 3faw h THR 1033Ca 0.01 -1.97 -0.04 0.00 -0.55 0.00 0.00 66.41 63.86 3faw h THR 1033Cb 0.99 1.96 -0.03 0.00 -1.73 0.00 0.00 68.15 69.34 3faw h THR 1033CO 0.08 0.59 0.25 0.50 -0.25 0.00 0.00 175.52 176.70 3faw h LYS 1034N 0.27 1.01 -0.67 4.72 3.64 -1.26 -1.53 116.57 122.76 3faw h LYS 1034Ca -0.01 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.12 3faw h LYS 1034Cb 1.15 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 3faw h LYS 1034CO 0.10 0.85 0.16 1.15 -2.27 0.00 0.00 179.45 179.44 3faw h THR 1035N 0.95 1.26 -0.17 1.00 2.02 -1.18 -0.60 112.91 116.18 3faw h THR 1035Ca 0.22 -0.95 -0.18 0.00 0.77 0.00 0.00 66.41 66.27 3faw h THR 1035Cb 0.23 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3faw h THR 1035CO -0.02 0.36 -0.63 0.06 0.37 0.00 0.00 175.52 175.67 3faw h GLN 1036N 1.01 0.62 -0.26 6.66 -0.00 -0.47 -0.99 115.11 121.68 3faw h GLN 1036Ca 0.21 -0.44 -0.10 0.00 -0.00 0.00 0.00 58.65 58.33 3faw h GLN 1036Cb 0.36 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.90 3faw h GLN 1036CO 0.00 1.05 -0.24 0.00 -0.00 0.00 0.00 178.83 179.64 3faw h ALA 1037N 0.84 1.10 -0.20 0.06 0.00 -1.20 -0.01 119.26 119.85 3faw h ALA 1037Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3faw h ALA 1037Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3faw h ALA 1037CO 0.12 0.56 0.09 -0.92 0.00 0.00 0.00 179.25 179.10 3faw h TYR 1038N 0.44 0.30 -0.56 0.00 3.20 -0.88 -2.21 116.97 117.26 3faw h TYR 1038Ca 0.06 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3faw h TYR 1038Cb 0.66 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3faw h TYR 1038CO 0.02 0.32 0.08 1.15 -1.64 0.00 0.00 178.16 178.09 3faw h THR 1039N 0.19 1.26 -0.76 1.81 2.02 -0.96 -1.86 112.91 114.61 3faw h THR 1039Ca 0.07 -1.00 0.05 0.00 0.77 0.00 0.00 66.41 66.30 3faw h THR 1039Cb 0.14 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3faw h THR 1039CO -0.01 0.36 0.46 0.00 0.37 0.00 0.00 175.52 176.70 3faw h ALA 1040N 0.99 1.02 -0.12 6.16 0.00 -0.97 -1.92 119.26 124.42 3faw h ALA 1040Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3faw h ALA 1040Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3faw h ALA 1040CO 0.01 0.19 -0.35 0.78 0.00 0.00 0.00 179.25 179.88 3faw h GLY 1041N 0.85 0.28 1.67 0.00 0.00 -1.16 -2.55 103.07 102.16 3faw h GLY 1041Ca 0.32 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.31 3faw h GLY 1041CO -0.16 0.22 -0.36 1.41 0.00 0.00 0.00 176.54 177.65 3faw h LEU 1042N 0.22 0.38 -0.40 3.11 3.38 -0.93 -1.93 115.31 119.15 3faw h LEU 1042Ca 0.03 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3faw h LEU 1042Cb 0.73 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3faw h LEU 1042CO 0.06 0.72 -0.13 0.40 0.09 0.00 0.00 178.44 179.58 3faw h ILE 1043N 0.32 1.28 0.00 1.22 2.04 -1.15 -1.90 117.51 119.32 3faw h ILE 1043Ca 0.04 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.67 3faw h ILE 1043Cb 0.78 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3faw h ILE 1043CO 0.06 0.41 -0.04 0.74 0.00 0.00 0.00 178.15 179.33 3faw h THR 1044N 0.59 0.91 -0.32 -0.27 2.02 -1.36 -1.91 112.91 112.56 3faw h THR 1044Ca 0.10 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.35 3faw h THR 1044Cb 0.66 0.91 -0.08 0.00 -1.74 0.00 0.00 68.15 67.90 3faw h THR 1044CO 0.05 0.00 -0.22 0.25 0.37 0.00 0.00 175.52 175.96 3faw h LEU 1045N -0.07 -0.74 -0.58 2.58 5.85 -1.32 -0.70 115.31 120.34 3faw h LEU 1045Ca 0.01 0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.96 3faw h LEU 1045Cb 0.08 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3faw h LEU 1045CO -0.04 -0.25 0.24 -0.09 -0.34 0.00 0.00 178.44 177.96 3faw h ARG 1046N -0.19 0.43 0.00 1.25 2.43 -1.06 -1.96 114.38 115.29 3faw h ARG 1046Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3faw h ARG 1046Cb 0.44 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3faw h ARG 1046CO -0.43 0.29 0.00 0.54 -1.51 0.00 0.00 179.97 178.85 3faw n ARG 1047N -4.95 0.26 0.16 0.20 1.74 -0.74 -3.52 116.66 109.80 3faw n ARG 1047Ca 0.07 0.25 0.13 0.00 -0.77 0.00 0.00 57.85 57.53 3faw n ARG 1047Cb 0.23 -1.82 0.41 0.00 -1.02 0.00 0.00 32.46 30.25 3faw n ARG 1047CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3faw h SER 1048N 0.00 0.00 -3.62 0.55 4.64 -0.32 -3.46 113.55 111.35 3faw h SER 1048Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3faw h SER 1048Cb 0.69 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.54 3faw h SER 1048CO 0.00 0.00 -0.15 0.28 -0.87 0.00 0.00 176.83 176.09 3faw s THR 1049N -3.25 -0.01 -2.00 2.95 -1.32 -1.23 -5.02 115.64 105.76 3faw s THR 1049Ca 0.07 0.02 0.18 0.00 -1.21 0.00 0.00 61.69 60.75 3faw s THR 1049Cb 0.10 -0.73 0.51 0.00 -1.51 0.00 0.00 72.50 70.87 3faw s THR 1049CO 0.56 0.01 1.52 -0.90 -2.21 0.00 0.00 174.62 173.60 3faw n ASP 1050N 3.39 0.00 -0.05 8.08 5.68 -1.26 -3.18 116.55 129.21 3faw n ASP 1050Ca -0.17 -0.89 0.17 0.00 -0.50 0.00 0.00 54.79 53.40 3faw n ASP 1050Cb 0.56 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.14 3faw n ASP 1050CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3faw h ALA 1051N 3.22 2.27 -0.36 2.12 0.00 -1.92 -1.80 119.26 122.79 3faw h ALA 1051Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3faw h ALA 1051Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3faw h ALA 1051CO 0.00 -0.43 0.00 1.19 0.00 0.00 0.00 179.25 180.01 3faw n PHE 1052N -4.43 0.46 -2.76 0.00 3.72 -1.19 -4.61 117.46 108.65 3faw n PHE 1052Ca 0.10 -0.23 -0.10 0.00 -0.05 0.00 0.00 57.45 57.17 3faw n PHE 1052Cb 0.51 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.08 3faw n PHE 1052CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3faw n ARG 1053N 1.50 1.11 -1.94 -1.08 1.74 -0.68 -4.25 116.66 113.06 3faw n ARG 1053Ca 0.19 -3.10 -0.32 0.00 -0.77 0.00 0.00 57.85 53.84 3faw n ARG 1053Cb 0.61 -1.20 0.02 0.00 -1.02 0.00 0.00 32.46 30.87 3faw n ARG 1053CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3faw s LYS 1054N -2.60 3.20 -0.07 5.56 1.02 -1.18 -4.88 119.74 120.79 3faw s LYS 1054Ca 0.29 1.18 -0.07 0.00 0.02 0.00 0.00 55.97 57.39 3faw s LYS 1054Cb 0.43 -2.02 -0.28 0.00 -0.52 0.00 0.00 37.83 35.44 3faw s LYS 1054CO 0.00 -0.91 0.59 -0.07 -0.92 0.00 0.00 175.35 174.05 3faw h LEU 1055N 0.21 0.48 -9.00 3.17 4.07 -2.00 -3.45 115.31 108.80 3faw h LEU 1055Ca -0.46 -0.84 -0.63 0.00 0.08 0.00 0.00 57.88 56.03 3faw h LEU 1055Cb 1.22 -0.16 -0.18 0.00 1.08 0.00 0.00 40.66 42.62 3faw h LEU 1055CO 0.57 1.73 -0.82 -0.94 -1.08 0.00 0.00 178.44 177.90 3faw s SER 1056N -7.10 3.30 0.28 -0.43 1.04 -1.26 -4.44 113.70 105.09 3faw s SER 1056Ca -0.17 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.37 3faw s SER 1056Cb 0.06 -0.24 0.39 0.00 0.10 0.00 0.00 66.02 66.34 3faw s SER 1056CO 0.82 0.09 1.88 0.50 0.98 0.00 0.00 173.24 177.51 3faw h LYS 1057N 3.20 0.97 -0.36 4.02 3.64 -1.93 -2.58 116.57 123.53 3faw h LYS 1057Ca -0.46 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 58.86 3faw h LYS 1057Cb 1.21 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.79 3faw h LYS 1057CO 0.49 0.76 -0.00 0.00 -2.27 0.00 0.00 179.45 178.42 3faw h ALA 1058N 1.38 0.33 0.00 5.00 0.00 -1.95 -1.23 119.26 122.79 3faw h ALA 1058Ca 0.24 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 3faw h ALA 1058Cb 0.11 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3faw h ALA 1058CO -0.03 -0.40 -0.65 1.05 0.00 0.00 0.00 179.25 179.22 3faw h GLU 1059N 0.10 0.00 -0.13 0.00 4.11 -1.98 -3.07 114.58 113.60 3faw h GLU 1059Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.60 3faw h GLU 1059Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3faw h GLU 1059CO -0.30 0.65 0.06 0.82 0.07 0.00 0.00 179.01 180.31 3faw h ILE 1060N 0.00 1.14 0.00 -1.06 2.04 -1.03 0.37 117.51 118.97 3faw h ILE 1060Ca -0.01 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3faw h ILE 1060Cb 1.47 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 3faw h ILE 1060CO 0.09 0.13 -0.20 0.44 0.00 0.00 0.00 178.15 178.60 3faw h ASP 1061N 0.07 0.00 1.10 1.72 3.32 -1.28 0.46 116.42 121.80 3faw h ASP 1061Ca 0.05 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 3faw h ASP 1061Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3faw h ASP 1061CO -0.00 0.20 -0.95 0.03 -1.72 0.00 0.00 179.24 176.80 3faw h ARG 1062N 0.00 0.00 0.00 3.56 3.08 -1.42 -3.40 114.38 116.20 3faw h ARG 1062Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3faw h ARG 1062Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3faw h ARG 1062CO 0.03 0.21 -0.19 0.39 -1.07 0.00 0.00 179.97 179.33 3faw n GLU 1063N -2.91 5.68 -3.93 0.04 1.02 0.10 -4.95 120.64 115.69 3faw n GLU 1063Ca -0.03 -0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.76 3faw n GLU 1063Cb 0.69 -0.60 -0.14 0.00 -0.02 0.00 0.00 31.44 31.37 3faw n GLU 1063CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3faw s VAL 1064N -1.20 3.23 0.16 2.62 1.01 0.14 -3.20 120.40 123.14 3faw s VAL 1064Ca 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3faw s VAL 1064Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3faw s VAL 1064CO 0.01 0.44 -0.15 -0.94 0.00 0.00 0.00 175.10 174.46 3faw s SER 1065N 1.46 2.28 -0.38 3.32 1.04 -0.35 -4.68 113.70 116.39 3faw s SER 1065Ca 0.06 -0.90 -0.17 0.00 0.48 0.00 0.00 55.95 55.42 3faw s SER 1065Cb -0.14 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.88 3faw s SER 1065CO -0.04 -0.15 0.45 -0.22 0.98 0.00 0.00 173.24 174.26 3faw s LEU 1066N -2.80 4.57 -0.06 2.42 2.96 -1.26 -1.57 118.68 122.94 3faw s LEU 1066Ca 0.15 -0.34 -0.26 0.00 -0.22 0.00 0.00 54.13 53.45 3faw s LEU 1066Cb -0.03 -2.45 -0.22 0.00 0.50 0.00 0.00 46.19 43.99 3faw s LEU 1066CO 0.04 -0.49 1.10 0.40 -1.32 0.00 0.00 176.35 176.08 3faw h ILE 1067N 5.65 1.52 -0.69 6.68 2.04 -1.60 -3.36 117.51 127.76 3faw h ILE 1067Ca -0.28 -1.59 -0.72 0.00 1.00 0.00 0.00 64.86 63.28 3faw h ILE 1067Cb 1.12 2.58 -0.09 0.00 -0.74 0.00 0.00 36.82 39.69 3faw h ILE 1067CO 0.76 0.42 2.53 0.35 0.00 0.00 0.00 178.15 182.21 3faw n THR 1068N -4.73 3.83 -2.15 -0.27 -2.24 -1.15 -4.98 114.28 102.59 3faw n THR 1068Ca -0.09 -3.71 -0.33 0.00 -2.27 0.00 0.00 64.05 57.65 3faw n THR 1068Cb 0.35 -2.49 -0.00 0.00 -2.10 0.00 0.00 70.33 66.09 3faw n THR 1068CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3faw s GLU 1069N 2.68 3.48 0.11 -0.78 2.02 -1.26 -4.85 118.70 120.09 3faw s GLU 1069Ca 0.47 1.17 -0.31 0.00 0.02 0.00 0.00 54.97 56.32 3faw s GLU 1069Cb 0.09 -2.06 -0.10 0.00 0.10 0.00 0.00 34.13 32.16 3faw s GLU 1069CO -0.02 -0.68 1.86 0.08 0.02 0.00 0.00 175.26 176.51 3faw s VAL 1070N -2.44 2.58 0.00 2.63 1.01 -1.26 -1.80 120.40 121.12 3faw s VAL 1070Ca 0.63 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3faw s VAL 1070Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3faw s VAL 1070CO 0.34 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3faw n GLY 1071N 4.29 0.17 3.63 4.51 0.00 -0.94 -5.05 105.19 111.80 3faw n GLY 1071Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3faw n GLY 1071CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3faw s GLN 1072N -0.97 3.96 7.36 1.61 -1.52 -0.74 -4.81 119.66 124.54 3faw s GLN 1072Ca 0.00 0.91 0.00 0.00 -1.95 0.00 0.00 55.36 54.32 3faw s GLN 1072Cb 0.00 -3.78 0.00 0.00 -0.22 0.00 0.00 33.01 29.01 3faw s GLN 1072CO 0.00 -1.03 0.00 0.41 -0.25 0.00 0.00 175.29 174.42 3faw n GLY 1073N 4.15 3.45 1.46 3.09 0.00 -1.26 -2.49 105.19 113.60 3faw n GLY 1073Ca 0.12 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3faw n GLY 1073CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3faw n ASP 1074N 4.01 4.31 -4.70 1.61 5.75 -1.26 -4.96 116.55 121.31 3faw n ASP 1074Ca 0.00 -2.46 -0.42 0.00 -0.01 0.00 0.00 54.79 51.90 3faw n ASP 1074Cb 0.00 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 39.50 3faw n ASP 1074CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3faw s ILE 1075N -1.95 3.54 0.40 2.12 -1.09 -1.04 -5.00 121.20 118.18 3faw s ILE 1075Ca 0.44 1.00 0.08 0.00 -2.23 0.00 0.00 60.65 59.94 3faw s ILE 1075Cb 0.30 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.51 3faw s ILE 1075CO 0.19 0.03 0.39 -0.54 -1.23 0.00 0.00 174.94 173.78 3faw s LYS 1076N 1.98 2.62 0.15 2.79 -0.14 -1.26 -2.21 119.74 123.67 3faw s LYS 1076Ca 0.65 -1.44 -0.17 0.00 -1.36 0.00 0.00 55.97 53.66 3faw s LYS 1076Cb -0.34 -2.46 0.00 0.00 -1.68 0.00 0.00 37.83 33.36 3faw s LYS 1076CO 0.28 -0.14 1.79 1.49 -0.76 0.00 0.00 175.35 178.02 3faw h GLU 1077N 1.02 0.51 -5.07 1.68 4.81 -1.95 -3.36 114.58 112.22 3faw h GLU 1077Ca -0.42 -0.04 -0.63 0.00 -0.13 0.00 0.00 59.36 58.14 3faw h GLU 1077Cb 1.27 -0.11 -0.18 0.00 0.63 0.00 0.00 28.75 30.35 3faw h GLU 1077CO 0.56 0.36 -0.57 0.15 -0.73 0.00 0.00 179.01 178.78 3faw s LYS 1078N -6.07 3.87 0.36 1.92 1.02 -1.26 -2.25 119.74 117.32 3faw s LYS 1078Ca -0.13 -0.38 -0.05 0.00 0.02 0.00 0.00 55.97 55.43 3faw s LYS 1078Cb 0.10 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 3faw s LYS 1078CO 0.72 0.01 0.55 0.34 -0.92 0.00 0.00 175.35 176.05 3faw s ASP 1079N 1.13 0.78 0.00 2.83 -1.08 -0.11 -4.73 116.67 115.49 3faw s ASP 1079Ca 0.05 -1.44 0.01 0.00 -0.52 0.00 0.00 52.55 50.66 3faw s ASP 1079Cb -0.14 0.71 0.03 0.00 -1.46 0.00 0.00 42.92 42.05 3faw s ASP 1079CO 0.04 -1.39 0.89 0.18 0.52 0.00 0.00 175.17 175.41 3faw n LEU 1080N -0.57 1.82 -4.22 -1.34 4.77 -1.26 -1.75 117.00 114.45 3faw n LEU 1080Ca -0.01 -1.73 -0.25 0.00 -0.03 0.00 0.00 56.01 53.99 3faw n LEU 1080Cb 0.61 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 41.54 3faw n LEU 1080CO 0.29 0.45 -0.51 0.54 -1.33 0.00 0.00 177.39 176.83 3faw s VAL 1081N -0.75 1.57 -0.03 4.08 0.11 -1.26 -0.58 120.40 123.53 3faw s VAL 1081Ca 0.02 -1.05 -0.13 0.00 -2.93 0.00 0.00 61.98 57.89 3faw s VAL 1081Cb 0.01 -1.35 0.02 0.00 -1.53 0.00 0.00 36.38 33.54 3faw s VAL 1081CO 0.02 0.27 0.29 -0.51 -3.33 0.00 0.00 175.10 171.83 3faw s ILE 1082N -0.68 0.05 -0.03 7.04 2.07 -0.52 -5.00 121.20 124.13 3faw s ILE 1082Ca 0.07 -0.42 -0.03 0.00 -1.41 0.00 0.00 60.65 58.86 3faw s ILE 1082Cb -0.08 -0.56 0.01 0.00 0.13 0.00 0.00 42.46 41.96 3faw s ILE 1082CO 0.01 -0.23 0.09 0.00 -1.91 0.00 0.00 174.94 172.89 3faw s ALA 1083N -1.08 -0.21 0.02 1.50 0.00 -1.26 -0.53 121.76 120.20 3faw s ALA 1083Ca -0.11 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.03 3faw s ALA 1083Cb -0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 3faw s ALA 1083CO 0.03 -0.05 0.13 1.52 0.00 0.00 0.00 175.76 177.40 3faw s TYR 1084N 0.10 0.10 -0.05 0.00 -0.85 -0.18 -1.43 117.35 115.04 3faw s TYR 1084Ca -0.00 -0.28 0.06 0.00 -0.52 0.00 0.00 57.07 56.32 3faw s TYR 1084Cb -0.01 -0.08 -0.02 0.00 0.38 0.00 0.00 41.96 42.24 3faw s TYR 1084CO -0.00 -0.34 -0.23 -1.14 -1.52 0.00 0.00 175.55 172.32 3faw s GLN 1085N -1.99 2.46 0.15 -3.49 0.74 -0.61 -0.41 119.66 116.51 3faw s GLN 1085Ca -0.10 -0.86 0.05 0.00 0.05 0.00 0.00 55.36 54.50 3faw s GLN 1085Cb -0.04 -2.19 -0.04 0.00 1.10 0.00 0.00 33.01 31.83 3faw s GLN 1085CO -0.01 0.47 -0.12 -0.08 -0.55 0.00 0.00 175.29 175.00 3faw s THR 1086N -0.37 1.29 -0.01 -0.34 -1.32 0.20 -1.21 115.64 113.88 3faw s THR 1086Ca 0.03 -1.98 0.04 0.00 -1.21 0.00 0.00 61.69 58.57 3faw s THR 1086Cb -0.12 -1.77 -0.01 0.00 -1.51 0.00 0.00 72.50 69.08 3faw s THR 1086CO 0.02 -0.63 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.04 3faw s ILE 1087N -2.94 0.99 0.61 5.08 1.01 -1.20 -0.69 121.20 124.06 3faw s ILE 1087Ca 0.15 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.32 3faw s ILE 1087Cb -0.00 -0.83 0.09 0.00 0.01 0.00 0.00 42.46 41.74 3faw s ILE 1087CO 0.02 0.27 0.84 1.51 0.00 0.00 0.00 174.94 177.57 3faw s ASP 1088N -0.33 4.92 0.59 3.58 1.47 -0.62 -4.53 116.67 121.75 3faw s ASP 1088Ca 0.05 -0.67 0.32 0.00 1.18 0.00 0.00 52.55 53.42 3faw s ASP 1088Cb -0.05 0.13 1.85 0.00 -0.34 0.00 0.00 42.92 44.51 3faw s ASP 1088CO -0.00 -1.45 2.23 0.77 0.68 0.00 0.00 175.17 177.40 3faw h SER 1089N 0.00 0.00 1.32 2.11 4.64 -1.89 0.14 113.55 119.88 3faw h SER 1089Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3faw h SER 1089Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3faw h SER 1089CO 0.41 0.03 -0.56 0.11 -0.87 0.00 0.00 176.83 175.95 3faw h LYS 1090N 0.00 0.00 -4.21 4.77 1.57 -2.02 -3.48 116.57 113.19 3faw h LYS 1090Ca -0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 3faw h LYS 1090Cb 0.08 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.44 3faw h LYS 1090CO 0.00 0.00 -0.59 0.41 -0.57 0.00 0.00 179.45 178.70 3faw n GLY 1091N 1.19 -0.50 0.36 3.86 0.00 0.49 -5.03 105.19 105.57 3faw n GLY 1091Ca 0.02 0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 3faw n GLY 1091CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3faw n ASP 1092N -2.39 0.07 -4.50 1.61 9.92 -1.26 -4.92 116.55 115.08 3faw n ASP 1092Ca -0.13 0.12 -0.33 0.00 -0.53 0.00 0.00 54.79 53.91 3faw n ASP 1092Cb 0.63 -0.09 -0.12 0.00 -0.64 0.00 0.00 41.12 40.90 3faw n ASP 1092CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3faw s ILE 1093N 0.19 3.54 -0.09 0.53 1.01 -0.80 -1.59 121.20 123.99 3faw s ILE 1093Ca 0.10 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3faw s ILE 1093Cb -0.14 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.86 3faw s ILE 1093CO 0.07 0.55 -0.15 -0.31 0.00 0.00 0.00 174.94 175.10 3faw s TYR 1094N -0.25 1.86 -0.12 3.97 2.02 0.14 -1.05 117.35 123.92 3faw s TYR 1094Ca 0.03 -0.78 0.03 0.00 -0.37 0.00 0.00 57.07 55.97 3faw s TYR 1094Cb -0.13 -1.33 0.00 0.00 -0.40 0.00 0.00 41.96 40.11 3faw s TYR 1094CO 0.03 -0.38 -0.21 0.00 -1.57 0.00 0.00 175.55 173.41 3faw s ALA 1095N 0.74 2.27 -0.17 3.71 0.00 -0.03 -0.62 121.76 127.66 3faw s ALA 1095Ca -0.12 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 3faw s ALA 1095Cb -0.16 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 3faw s ALA 1095CO 0.03 0.13 -0.04 0.08 0.00 0.00 0.00 175.76 175.96 3faw s VAL 1096N 0.57 3.77 -0.13 0.00 1.01 0.45 -0.99 120.40 125.08 3faw s VAL 1096Ca -0.12 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3faw s VAL 1096Cb -0.17 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3faw s VAL 1096CO 0.04 0.47 -0.21 -0.36 0.00 0.00 0.00 175.10 175.03 3faw s PHE 1097N 0.67 2.65 -0.29 5.22 0.08 0.13 -1.01 117.98 125.43 3faw s PHE 1097Ca -0.02 -1.15 0.01 0.00 0.12 0.00 0.00 56.93 55.88 3faw s PHE 1097Cb -0.14 -1.79 0.09 0.00 -0.57 0.00 0.00 43.02 40.60 3faw s PHE 1097CO 0.02 -0.50 0.03 0.08 -0.10 0.00 0.00 175.22 174.76 3faw s VAL 1098N 0.61 1.48 -0.69 -0.44 1.01 0.31 -0.49 120.40 122.20 3faw s VAL 1098Ca -0.11 -1.59 -0.20 0.00 0.00 0.00 0.00 61.98 60.07 3faw s VAL 1098Cb -0.16 -1.99 0.10 0.00 0.00 0.00 0.00 36.38 34.33 3faw s VAL 1098CO 0.03 -0.46 0.88 0.21 0.00 0.00 0.00 175.10 175.76 3faw s ASN 1099N 1.34 6.28 0.00 3.32 2.47 -0.63 -1.44 114.94 126.29 3faw s ASN 1099Ca 0.05 -1.43 0.18 0.00 0.42 0.00 0.00 52.86 52.08 3faw s ASN 1099Cb -0.18 -2.36 0.58 0.00 -1.45 0.00 0.00 41.25 37.84 3faw s ASN 1099CO -0.14 -1.21 1.44 0.00 -3.72 0.00 0.00 177.10 173.48 3faw n ALA 1100N 6.80 2.48 -1.82 1.71 0.00 0.25 -1.64 120.51 128.30 3faw n ALA 1100Ca -0.00 -0.62 -0.32 0.00 0.00 0.00 0.00 53.44 52.50 3faw n ALA 1100Cb 0.45 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 3faw n ALA 1100CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3faw s ASP 1101N -1.35 6.34 0.00 0.00 -1.08 -1.16 -4.68 116.67 114.73 3faw s ASP 1101Ca 0.30 1.54 0.15 0.00 -0.52 0.00 0.00 52.55 54.03 3faw s ASP 1101Cb 0.16 -2.50 0.52 0.00 -1.46 0.00 0.00 42.92 39.64 3faw s ASP 1101CO 0.24 -0.79 1.39 -1.54 0.52 0.00 0.00 175.17 174.98 3faw n SER 1102N -2.13 1.66 -4.27 -0.34 3.41 -1.26 -2.13 113.62 108.57 3faw n SER 1102Ca 0.07 -1.86 -0.15 0.00 -0.26 0.00 0.00 58.87 56.67 3faw n SER 1102Cb 0.54 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 3faw n SER 1102CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3faw s LYS 1103N -1.67 1.11 0.58 4.33 -2.85 -1.26 -4.88 119.74 115.11 3faw s LYS 1103Ca 0.27 -1.48 -0.20 0.00 -1.00 0.00 0.00 55.97 53.56 3faw s LYS 1103Cb 0.14 -0.72 -0.04 0.00 -2.06 0.00 0.00 37.83 35.16 3faw s LYS 1103CO 0.20 0.10 1.29 0.00 0.10 0.00 0.00 175.35 177.03 3faw s ALA 1104N -3.25 2.63 -0.02 0.59 0.00 -1.26 -4.11 121.76 116.33 3faw s ALA 1104Ca 0.18 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.34 3faw s ALA 1104Cb 0.02 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3faw s ALA 1104CO 0.02 -1.34 -0.05 1.03 0.00 0.00 0.00 175.76 175.42 3faw s ARG 1105N -3.14 0.61 -0.23 0.00 1.81 -0.54 -4.93 118.95 112.54 3faw s ARG 1105Ca 0.76 -0.13 -0.22 0.00 -1.72 0.00 0.00 55.73 54.41 3faw s ARG 1105Cb -0.36 -0.63 -0.02 0.00 -0.45 0.00 0.00 34.95 33.49 3faw s ARG 1105CO 0.41 0.01 0.71 1.21 -0.68 0.00 0.00 175.30 176.96 3faw s ASN 1106N 0.46 6.72 -0.31 0.23 3.84 -1.26 -1.19 114.94 123.43 3faw s ASN 1106Ca -0.06 0.89 -0.12 0.00 0.21 0.00 0.00 52.86 53.78 3faw s ASN 1106Cb -0.09 -2.38 -0.03 0.00 -0.55 0.00 0.00 41.25 38.19 3faw s ASN 1106CO -0.00 -0.40 0.23 -0.69 -2.79 0.00 0.00 177.10 173.46 3faw s VAL 1107N 2.43 5.28 0.12 -5.21 1.01 0.12 -4.68 120.40 119.48 3faw s VAL 1107Ca 0.31 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 3faw s VAL 1107Cb -0.16 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 3faw s VAL 1107CO 0.09 0.09 1.11 -0.22 0.00 0.00 0.00 175.10 176.17 3faw s LEU 1108N 1.77 4.44 -0.19 3.92 2.96 -1.26 -1.24 118.68 129.08 3faw s LEU 1108Ca 0.07 2.01 -0.03 0.00 -0.22 0.00 0.00 54.13 55.96 3faw s LEU 1108Cb -0.17 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.82 3faw s LEU 1108CO 0.11 -0.29 -0.20 0.18 -1.32 0.00 0.00 176.35 174.82 3faw n LEU 1109N 3.01 2.38 0.00 -0.68 4.77 -0.24 -4.86 117.00 121.37 3faw n LEU 1109Ca 0.05 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3faw n LEU 1109Cb 0.47 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3faw n LEU 1109CO 0.54 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 3faw n GLY 1110N 2.27 -0.87 0.24 -0.72 0.00 -1.00 -2.34 105.19 102.77 3faw n GLY 1110Ca -0.36 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 44.68 3faw n GLY 1110CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3faw h GLU 1111N 0.00 0.00 -0.36 1.61 4.39 -2.00 -1.66 114.58 116.56 3faw h GLU 1111Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 3faw h GLU 1111Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3faw h GLU 1111CO 0.00 0.19 -0.34 -0.22 -1.16 0.00 0.00 179.01 177.48 3faw h LYS 1112N 0.00 0.86 -0.09 2.33 3.64 -2.02 -3.34 116.57 117.95 3faw h LYS 1112Ca -0.00 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3faw h LYS 1112Cb 0.43 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3faw h LYS 1112CO 0.02 1.09 0.00 0.66 -2.27 0.00 0.00 179.45 178.96 3faw n TYR 1113N -4.14 0.22 0.25 1.91 4.01 -0.99 -4.74 117.16 113.70 3faw n TYR 1113Ca -0.03 -0.75 0.09 0.00 -0.16 0.00 0.00 57.90 57.05 3faw n TYR 1113Cb 0.52 -0.13 0.65 0.00 -0.31 0.00 0.00 39.34 40.06 3faw n TYR 1113CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3faw h LYS 1114N 0.58 0.00 -0.04 -0.72 2.10 -1.43 -2.08 116.57 114.98 3faw h LYS 1114Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 3faw h LYS 1114Cb 0.87 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.20 3faw h LYS 1114CO 0.04 0.07 0.14 1.12 -2.00 0.00 0.00 179.45 178.82 3faw h HIS 1115N 0.00 0.00 0.00 0.07 2.07 -1.86 -1.92 115.15 113.51 3faw h HIS 1115Ca -0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 3faw h HIS 1115Cb 0.14 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.12 3faw h HIS 1115CO 0.00 0.00 -0.15 -0.07 -3.07 0.00 0.00 177.93 174.64 3faw h LEU 1116N 0.00 0.00 -1.43 6.12 3.38 -1.76 -2.92 115.31 118.70 3faw h LEU 1116Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3faw h LEU 1116Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3faw h LEU 1116CO -0.00 0.15 0.00 -0.07 0.09 0.00 0.00 178.44 178.61 3faw h LEU 1117N 0.00 0.00 -0.94 1.67 3.38 -1.55 -2.23 115.31 115.64 3faw h LEU 1117Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3faw h LEU 1117Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3faw h LEU 1117CO 0.02 0.00 -0.09 0.29 0.09 0.00 0.00 178.44 178.75 3faw n LYS 1118N -2.69 1.49 -2.17 1.13 4.76 -1.10 -4.97 118.16 114.60 3faw n LYS 1118Ca 0.00 -0.94 -0.28 0.00 -2.87 0.00 0.00 58.31 54.22 3faw n LYS 1118Cb 0.21 -1.48 0.17 0.00 -1.84 0.00 0.00 35.03 32.09 3faw n LYS 1118CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3faw s GLY 1119N -2.16 1.79 -0.10 0.72 0.00 -0.84 -5.00 107.32 101.73 3faw s GLY 1119Ca 0.32 -1.47 -0.03 0.00 0.00 0.00 0.00 44.72 43.54 3faw s GLY 1119CO 0.39 -0.73 0.04 1.20 0.00 0.00 0.00 173.10 174.00 3faw s GLN 1120N -5.66 3.13 -0.30 2.90 -0.21 0.36 -4.89 119.66 114.99 3faw s GLN 1120Ca 0.73 -0.34 -0.26 0.00 0.02 0.00 0.00 55.36 55.50 3faw s GLN 1120Cb -0.03 -2.90 0.01 0.00 1.00 0.00 0.00 33.01 31.08 3faw s GLN 1120CO 0.50 0.70 0.92 0.08 -2.12 0.00 0.00 175.29 175.38 3faw s VAL 1121N -0.86 4.68 -0.18 1.09 1.01 -1.26 -0.46 120.40 124.42 3faw s VAL 1121Ca 0.13 1.50 0.12 0.00 0.00 0.00 0.00 61.98 63.73 3faw s VAL 1121Cb -0.12 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 31.83 3faw s VAL 1121CO 0.03 -0.31 0.34 2.30 0.00 0.00 0.00 175.10 177.45 3faw n ILE 1122N 5.61 0.00 -4.62 2.22 -5.35 -0.29 -0.44 119.36 116.50 3faw n ILE 1122Ca 0.08 -0.26 -0.25 0.00 -0.27 0.00 0.00 62.75 62.04 3faw n ILE 1122Cb 0.47 0.45 -0.17 0.00 -1.74 0.00 0.00 39.64 38.66 3faw n ILE 1122CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3faw s VAL 1123N -2.64 1.18 0.00 7.28 1.01 -1.09 -2.55 120.40 123.58 3faw s VAL 1123Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3faw s VAL 1123Cb 0.08 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.39 3faw s VAL 1123CO 0.51 0.36 0.00 -0.90 0.00 0.00 0.00 175.10 175.07 3faw n ASP 1124N 3.79 0.73 0.23 3.32 5.75 -0.49 -1.54 116.55 128.33 3faw n ASP 1124Ca -0.23 -0.13 0.09 0.00 -0.01 0.00 0.00 54.79 54.52 3faw n ASP 1124Cb 0.52 0.00 0.53 0.00 -1.03 0.00 0.00 41.12 41.13 3faw n ASP 1124CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3faw h ALA 1125N 1.00 1.18 0.00 2.12 0.00 -1.57 -3.33 119.26 118.66 3faw h ALA 1125Ca 0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 54.38 3faw h ALA 1125Cb 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3faw h ALA 1125CO 0.00 0.30 -2.19 -0.25 0.00 0.00 0.00 179.25 177.10 3faw n ASP 1126N -3.64 1.15 -3.89 0.00 8.00 -1.26 -4.98 116.55 111.93 3faw n ASP 1126Ca -0.01 -0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.37 3faw n ASP 1126Cb 0.36 0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 41.99 3faw n ASP 1126CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3faw s GLN 1127N -2.42 0.73 0.03 -1.24 -2.07 -1.25 -4.87 119.66 108.56 3faw s GLN 1127Ca -0.14 -0.86 0.02 0.00 -1.82 0.00 0.00 55.36 52.56 3faw s GLN 1127Cb 0.06 0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 32.25 3faw s GLN 1127CO 0.65 -0.21 -0.06 0.00 -1.32 0.00 0.00 175.29 174.35 3faw s ALA 1128N -3.27 0.48 0.00 2.60 0.00 -1.26 -1.40 121.76 118.90 3faw s ALA 1128Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3faw s ALA 1128Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3faw s ALA 1128CO -0.08 0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3faw n GLY 1129N 1.92 -0.54 0.17 0.00 0.00 -1.06 -4.36 105.19 101.32 3faw n GLY 1129Ca -0.20 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.02 3faw n GLY 1129CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3faw n ILE 1130N 5.71 0.00 -3.53 -0.61 -5.35 -1.26 -4.59 119.36 109.73 3faw n ILE 1130Ca 0.00 -0.46 -0.33 0.00 -0.27 0.00 0.00 62.75 61.69 3faw n ILE 1130Cb 0.00 1.09 -0.05 0.00 -1.74 0.00 0.00 39.64 38.94 3faw n ILE 1130CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3faw s LYS 1131N -0.85 3.76 0.26 6.28 1.02 -1.26 -4.99 119.74 123.95 3faw s LYS 1131Ca 0.06 0.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.91 3faw s LYS 1131Cb 0.05 -2.84 -0.11 0.00 -0.52 0.00 0.00 37.83 34.41 3faw s LYS 1131CO 0.13 0.45 1.57 -2.14 -0.92 0.00 0.00 175.35 174.44 3faw s PRO 1132N -2.40 4.17 -0.30 -1.68 0.02 -1.26 -4.46 135.00 129.08 3faw s PRO 1132Ca 0.40 2.49 -0.19 0.00 0.02 0.00 0.00 61.00 63.73 3faw s PRO 1132Cb -0.13 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 3faw s PRO 1132CO 0.21 -0.59 0.54 0.42 -0.33 0.00 0.00 177.00 177.25 3faw s ILE 1133N 0.28 5.02 0.13 2.83 1.01 0.42 -4.98 121.20 125.90 3faw s ILE 1133Ca 0.65 0.70 -0.13 0.00 0.00 0.00 0.00 60.65 61.86 3faw s ILE 1133Cb -0.46 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 3faw s ILE 1133CO 0.43 -0.07 1.54 0.77 0.00 0.00 0.00 174.94 177.61 3faw h SER 1134N 8.21 0.83 -3.04 3.58 4.64 -1.94 -3.36 113.55 122.48 3faw h SER 1134Ca -0.28 -0.36 -0.61 0.00 -0.47 0.00 0.00 61.79 60.06 3faw h SER 1134Cb 1.13 -0.23 -0.41 0.00 -0.31 0.00 0.00 62.40 62.59 3faw h SER 1134CO 0.75 1.00 -0.70 0.28 -0.87 0.00 0.00 176.83 177.30 3faw s THR 1135N -4.79 2.04 0.36 2.95 -1.32 -1.26 -5.12 115.64 108.51 3faw s THR 1135Ca -0.12 -3.59 -0.28 0.00 -1.21 0.00 0.00 61.69 56.49 3faw s THR 1135Cb 0.11 -2.36 -0.10 0.00 -1.51 0.00 0.00 72.50 68.64 3faw s THR 1135CO 0.83 -1.04 1.31 -2.84 -2.21 0.00 0.00 174.62 170.67 3faw s PRO 1136N -0.77 4.20 -0.11 7.08 0.02 -1.26 -5.03 135.00 139.13 3faw s PRO 1136Ca 0.26 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.43 3faw s PRO 1136Cb -0.06 -2.94 -0.04 0.00 0.02 0.00 0.00 34.50 31.48 3faw s PRO 1136CO -0.14 -0.31 0.07 1.03 -0.33 0.00 0.00 177.00 177.31 3faw s ARG 1137N -1.98 3.32 0.00 5.54 1.81 -1.26 -4.55 118.95 121.83 3faw s ARG 1137Ca 0.52 -0.28 0.00 0.00 -1.72 0.00 0.00 55.73 54.25 3faw s ARG 1137Cb -0.39 -3.02 0.00 0.00 -0.45 0.00 0.00 34.95 31.09 3faw s ARG 1137CO 0.52 0.67 0.00 0.41 -0.68 0.00 0.00 175.30 176.22 3faw n GLY 1138N 2.28 0.71 2.93 -3.53 0.00 -1.26 -2.15 105.19 104.17 3faw n GLY 1138Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 3faw n GLY 1138CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3faw s VAL 1139N -2.38 0.02 -0.04 1.61 0.11 -1.26 -0.48 120.40 117.98 3faw s VAL 1139Ca 0.00 -0.19 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 3faw s VAL 1139Cb 0.00 -0.11 0.01 0.00 -1.53 0.00 0.00 36.38 34.75 3faw s VAL 1139CO 0.00 -0.11 -0.11 -1.00 -3.33 0.00 0.00 175.10 170.55 3faw s HIS 1140N -0.31 1.18 -0.14 1.54 0.09 0.27 -4.96 115.29 112.95 3faw s HIS 1140Ca -0.04 -0.34 -0.22 0.00 -0.00 0.00 0.00 55.06 54.47 3faw s HIS 1140Cb -0.02 -0.85 -0.03 0.00 -0.00 0.00 0.00 32.58 31.68 3faw s HIS 1140CO -0.00 -0.15 0.65 -0.06 -0.00 0.00 0.00 174.74 175.18 3faw s PHE 1141N 0.32 3.46 0.00 1.40 2.99 -1.26 -1.06 117.98 123.82 3faw s PHE 1141Ca -0.06 1.06 0.00 0.00 0.00 0.00 0.00 56.93 57.92 3faw s PHE 1141Cb -0.11 -2.79 0.00 0.00 0.00 0.00 0.00 43.02 40.12 3faw s PHE 1141CO 0.01 -0.05 0.00 0.39 -0.00 0.00 0.00 175.22 175.57 3faw n GLU 1142N 4.49 2.24 0.03 0.44 -0.58 -0.57 -4.99 120.64 121.69 3faw n GLU 1142Ca -0.01 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.60 3faw n GLU 1142Cb 0.50 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.29 3faw n GLU 1142CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3faw h LYS 1143N 0.00 -0.03 -0.20 3.49 1.63 -2.03 -3.38 116.57 116.05 3faw h LYS 1143Ca 0.00 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.60 3faw h LYS 1143Cb 0.00 0.01 -0.37 0.00 -0.60 0.00 0.00 32.23 31.26 3faw h LYS 1143CO 0.00 0.21 -1.01 -0.40 -3.45 0.00 0.00 179.45 174.80 3faw n ASP 1144N -4.99 1.07 -3.84 4.20 5.75 -1.26 -5.04 116.55 112.44 3faw n ASP 1144Ca -0.08 -2.02 -0.08 0.00 -0.01 0.00 0.00 54.79 52.60 3faw n ASP 1144Cb 0.15 -0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 3faw n ASP 1144CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3faw s SER 1145N -2.77 -0.14 -0.07 -1.12 1.04 -1.26 -1.08 113.70 108.30 3faw s SER 1145Ca 0.28 -0.80 0.05 0.00 0.48 0.00 0.00 55.95 55.96 3faw s SER 1145Cb 0.34 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 67.14 3faw s SER 1145CO -0.10 -1.29 -0.23 -0.76 0.98 0.00 0.00 173.24 171.84 3faw s LEU 1146N -2.98 2.03 -0.33 2.42 1.02 -0.37 -1.52 118.68 118.96 3faw s LEU 1146Ca 0.16 -0.49 -0.12 0.00 0.02 0.00 0.00 54.13 53.70 3faw s LEU 1146Cb -0.04 -1.30 -0.02 0.00 0.02 0.00 0.00 46.19 44.85 3faw s LEU 1146CO 0.08 0.20 0.22 -0.22 0.02 0.00 0.00 176.35 176.65 3faw s LEU 1147N 0.05 4.41 -0.11 1.79 2.96 -0.23 0.15 118.68 127.70 3faw s LEU 1147Ca -0.09 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 3faw s LEU 1147Cb -0.15 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 3faw s LEU 1147CO 0.05 -0.22 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.08 3faw s ILE 1148N 1.70 2.88 0.79 6.68 1.01 -0.34 -0.57 121.20 133.35 3faw s ILE 1148Ca 0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.83 3faw s ILE 1148Cb -0.17 -2.17 0.07 0.00 0.01 0.00 0.00 42.46 40.19 3faw s ILE 1148CO 0.10 0.54 1.20 -1.81 0.00 0.00 0.00 174.94 174.97 3faw s ASP 1149N 0.14 3.77 0.59 3.58 1.11 0.36 -1.46 116.67 124.76 3faw s ASP 1149Ca -0.08 2.35 -0.20 0.00 0.18 0.00 0.00 52.55 54.80 3faw s ASP 1149Cb -0.15 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.22 3faw s ASP 1149CO 0.05 -2.54 1.34 -2.16 1.18 0.00 0.00 175.17 173.03 3faw s PRO 1150N -4.09 2.91 -1.40 8.23 0.04 -1.26 -3.42 135.00 136.01 3faw s PRO 1150Ca 0.73 2.18 -0.02 0.00 0.04 0.00 0.00 61.00 63.93 3faw s PRO 1150Cb -0.29 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.17 3faw s PRO 1150CO 0.49 -1.35 0.57 1.28 0.04 0.00 0.00 177.00 178.03 3faw n LEU 1151N -1.37 -2.51 -4.00 -3.56 4.77 -0.65 -4.98 117.00 104.70 3faw n LEU 1151Ca 0.12 -0.93 -0.19 0.00 -0.03 0.00 0.00 56.01 54.99 3faw n LEU 1151Cb 0.46 -2.38 -0.15 0.00 -2.33 0.00 0.00 43.42 39.02 3faw n LEU 1151CO 0.51 0.42 -0.43 -0.89 -1.33 0.00 0.00 177.39 175.67 3faw s THR 1152N -3.79 0.67 -0.13 -5.08 2.01 -0.88 -4.79 115.64 103.65 3faw s THR 1152Ca 0.09 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 3faw s THR 1152Cb -0.05 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 3faw s THR 1152CO 0.86 0.20 -0.07 0.00 -0.69 0.00 0.00 174.62 174.92 3faw s ALA 1153N -0.07 2.88 -0.08 7.40 0.00 -1.26 -1.61 121.76 129.03 3faw s ALA 1153Ca 0.01 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3faw s ALA 1153Cb -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.68 3faw s ALA 1153CO -0.00 0.29 -0.18 0.42 0.00 0.00 0.00 175.76 176.28 3faw s ILE 1154N 0.16 1.59 -0.12 0.00 -1.09 0.35 -3.92 121.20 118.18 3faw s ILE 1154Ca -0.04 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 3faw s ILE 1154Cb -0.14 -1.40 0.01 0.00 -1.58 0.00 0.00 42.46 39.35 3faw s ILE 1154CO 0.04 0.46 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.29 3faw s VAL 1155N 0.42 2.02 -0.04 2.92 1.01 -0.59 0.21 120.40 126.36 3faw s VAL 1155Ca -0.15 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 60.89 3faw s VAL 1155Cb -0.16 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3faw s VAL 1155CO 0.06 0.55 -0.11 -0.63 0.00 0.00 0.00 175.10 174.97 3faw s ILE 1156N 0.63 3.36 -0.09 2.22 1.01 -0.16 -1.14 121.20 127.03 3faw s ILE 1156Ca -0.12 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.88 3faw s ILE 1156Cb -0.16 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 3faw s ILE 1156CO 0.02 0.54 -0.21 -0.75 0.00 0.00 0.00 174.94 174.55 3faw s LYS 1157N -0.94 2.94 -0.32 2.79 2.20 0.39 -0.85 119.74 125.95 3faw s LYS 1157Ca 0.13 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 3faw s LYS 1157Cb -0.11 -2.35 0.06 0.00 -1.51 0.00 0.00 37.83 33.92 3faw s LYS 1157CO 0.02 0.29 0.04 0.08 -0.36 0.00 0.00 175.35 175.42 3faw s VAL 1158N 0.10 3.14 -2.00 4.02 1.01 -0.21 -0.49 120.40 125.97 3faw s VAL 1158Ca -0.10 -1.44 0.27 0.00 0.00 0.00 0.00 61.98 60.71 3faw s VAL 1158Cb -0.16 -2.85 0.78 0.00 0.00 0.00 0.00 36.38 34.15 3faw s VAL 1158CO 0.06 -0.20 1.99 0.61 0.00 0.00 0.00 175.10 177.55