#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4m n THR 381 N 0.00 -0.09 0.17 5.53 5.66 -1.26 -3.77 114.28 120.51 1n4m n THR 381 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1n4m n THR 381 Cb 0.00 -0.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 1n4m n THR 381 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n4m n ILE 382 N 1.12 0.00 0.87 1.09 0.13 -1.26 0.35 119.36 121.65 1n4m n ILE 382 Ca 0.00 0.64 0.11 0.00 -1.10 0.00 0.00 62.75 62.40 1n4m n ILE 382 Cb 0.00 -1.41 -0.02 0.00 -0.84 0.00 0.00 39.64 37.37 1n4m n ILE 382 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1n4m n GLN 383 N -1.61 0.09 -0.14 9.51 3.00 -1.26 -4.75 117.38 122.23 1n4m n GLN 383 Ca 0.00 -0.01 -0.04 0.00 -0.01 0.00 0.00 57.00 56.94 1n4m n GLN 383 Cb 0.64 -1.52 -0.03 0.00 0.00 0.00 0.00 30.24 29.33 1n4m n GLN 383 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1n4m n GLN 384 N -1.62 -0.15 -0.11 -1.09 7.27 1.08 -0.20 117.38 122.56 1n4m n GLN 384 Ca 0.03 1.06 -0.08 0.00 0.07 0.00 0.00 57.00 58.08 1n4m n GLN 384 Cb 0.36 -1.58 -0.01 0.00 2.41 0.00 0.00 30.24 31.43 1n4m n GLN 384 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1n4m h LEU 385 N 0.00 0.42 -2.26 1.69 6.46 -1.81 0.21 115.31 120.02 1n4m h LEU 385 Ca 0.05 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1n4m h LEU 385 Cb 0.14 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1n4m h LEU 385 CO -0.31 0.31 -0.04 0.24 -0.62 0.00 0.00 178.44 178.01 1n4m h MET 386 N 0.49 0.00 0.02 1.25 2.86 -1.74 0.48 114.93 118.29 1n4m h MET 386 Ca 0.13 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1n4m h MET 386 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1n4m h MET 386 CO -0.03 0.04 -0.01 1.98 1.06 0.00 0.00 176.91 179.95 1n4m h MET 387 N 0.00 -0.02 -0.48 1.72 1.85 0.74 -0.08 114.93 118.66 1n4m h MET 387 Ca -0.00 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.14 1n4m h MET 387 Cb 0.11 0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.10 1n4m h MET 387 CO 0.01 0.57 0.21 0.82 -0.40 0.00 0.00 176.91 178.12 1n4m h ILE 388 N -0.64 0.91 -0.38 1.77 2.04 0.36 -2.01 117.51 119.56 1n4m h ILE 388 Ca -0.00 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1n4m h ILE 388 Cb 0.60 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1n4m h ILE 388 CO 0.00 0.08 0.19 -0.07 0.00 0.00 0.00 178.15 178.35 1n4m h LEU 389 N 0.42 0.50 -2.25 1.44 3.38 -0.05 -0.81 115.31 117.94 1n4m h LEU 389 Ca 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1n4m h LEU 389 Cb 0.17 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1n4m h LEU 389 CO -0.18 0.48 -0.03 0.78 0.09 0.00 0.00 178.44 179.58 1n4m h ASN 390 N 0.48 0.00 0.78 -0.43 4.21 -0.61 -2.04 115.58 117.98 1n4m h ASN 390 Ca 0.13 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.40 1n4m h ASN 390 Cb 0.11 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.28 1n4m h ASN 390 CO -0.02 0.03 -1.28 0.28 -1.29 0.00 0.00 177.43 175.15 1n4m h SER 391 N 0.00 0.03 -3.97 5.81 0.02 -0.74 -3.48 113.55 111.22 1n4m h SER 391 Ca -0.00 -0.04 -0.56 0.00 -0.84 0.00 0.00 61.79 60.35 1n4m h SER 391 Cb 0.06 -0.01 0.17 0.00 0.14 0.00 0.00 62.40 62.76 1n4m h SER 391 CO 0.00 1.04 0.34 0.00 -1.14 0.00 0.00 176.83 177.07 1n4m n ALA 392 N -2.44 0.54 -1.82 3.77 0.00 -0.37 -5.01 120.51 115.18 1n4m n ALA 392 Ca -0.07 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 1n4m n ALA 392 Cb 0.99 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 1n4m n ALA 392 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n4m s SER 393 N -1.52 6.78 0.27 0.00 0.15 -1.26 -4.99 113.70 113.12 1n4m s SER 393 Ca 0.79 1.65 0.12 0.00 0.70 0.00 0.00 55.95 59.21 1n4m s SER 393 Cb -0.37 -2.53 0.28 0.00 -1.71 0.00 0.00 66.02 61.70 1n4m s SER 393 CO 0.45 -0.48 1.55 0.44 1.20 0.00 0.00 173.24 176.40 1n4m h ASP 394 N 1.49 0.00 -3.36 5.45 3.32 -1.96 -3.45 116.42 117.90 1n4m h ASP 394 Ca -0.48 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.02 1n4m h ASP 394 Cb 1.18 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1n4m h ASP 394 CO 0.61 0.62 -0.13 -1.10 -1.72 0.00 0.00 179.24 177.52 1n4m s GLN 395 N -3.34 3.83 0.50 3.56 -1.52 -1.26 -4.92 119.66 116.51 1n4m s GLN 395 Ca 0.00 0.29 -0.23 0.00 -1.95 0.00 0.00 55.36 53.48 1n4m s GLN 395 Cb 0.11 -2.76 -0.06 0.00 -0.22 0.00 0.00 33.01 30.08 1n4m s GLN 395 CO 0.75 0.38 1.29 -1.25 -0.25 0.00 0.00 175.29 176.22 1n4m s PRO 396 N -2.53 3.42 0.87 2.91 0.04 -1.26 -4.97 135.00 133.48 1n4m s PRO 396 Ca 0.44 2.08 -0.10 0.00 0.04 0.00 0.00 61.00 63.45 1n4m s PRO 396 Cb -0.12 -2.35 0.12 0.00 0.04 0.00 0.00 34.50 32.18 1n4m s PRO 396 CO 0.21 -0.92 1.12 -1.54 0.04 0.00 0.00 177.00 175.91 1n4m s SER 397 N -1.06 3.45 0.25 6.66 1.04 -1.26 -4.76 113.70 118.02 1n4m s SER 397 Ca 0.68 2.00 -0.03 0.00 0.48 0.00 0.00 55.95 59.08 1n4m s SER 397 Cb -0.36 -2.53 0.49 0.00 0.10 0.00 0.00 66.02 63.72 1n4m s SER 397 CO 0.44 -2.73 1.75 -0.08 0.98 0.00 0.00 173.24 173.60 1n4m h GLU 398 N -1.61 0.55 -0.30 4.02 4.22 -1.99 -0.78 114.58 118.69 1n4m h GLU 398 Ca -0.44 -0.03 -0.10 0.00 0.08 0.00 0.00 59.36 58.86 1n4m h GLU 398 Cb 1.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1n4m h GLU 398 CO 0.46 0.37 -0.24 -0.97 -2.18 0.00 0.00 179.01 176.45 1n4m h ASN 399 N 0.57 0.59 -0.29 1.04 -1.24 -1.99 -1.46 115.58 112.81 1n4m h ASN 399 Ca 0.43 -0.20 -0.09 0.00 0.71 0.00 0.00 56.30 57.15 1n4m h ASN 399 Cb 0.61 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 1n4m h ASN 399 CO -0.36 0.82 -0.18 -0.07 -1.29 0.00 0.00 177.43 176.34 1n4m h LEU 400 N 0.51 0.65 -1.82 0.34 3.38 -1.63 -2.52 115.31 114.22 1n4m h LEU 400 Ca 0.07 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1n4m h LEU 400 Cb 0.69 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1n4m h LEU 400 CO 0.05 0.94 -0.12 0.40 0.09 0.00 0.00 178.44 179.81 1n4m h ILE 401 N 0.37 0.99 -0.21 1.22 2.04 -1.06 -0.44 117.51 120.42 1n4m h ILE 401 Ca 0.06 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.37 1n4m h ILE 401 Cb 0.72 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1n4m h ILE 401 CO 0.05 0.11 -0.45 -1.28 0.00 0.00 0.00 178.15 176.58 1n4m h SER 402 N 0.00 0.57 -0.26 1.72 0.87 -0.99 -0.88 113.55 114.58 1n4m h SER 402 Ca -0.00 -0.27 -0.13 0.00 -1.23 0.00 0.00 61.79 60.16 1n4m h SER 402 Cb 0.22 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1n4m h SER 402 CO 0.02 0.94 -0.32 1.88 -0.53 0.00 0.00 176.83 178.82 1n4m h TYR 403 N 0.43 0.90 -0.65 2.24 0.05 -0.68 -2.87 116.97 116.39 1n4m h TYR 403 Ca 0.03 -0.24 -0.07 0.00 0.05 0.00 0.00 58.73 58.49 1n4m h TYR 403 Cb 0.96 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 1n4m h TYR 403 CO 0.04 0.99 0.11 0.74 -1.05 0.00 0.00 178.16 178.99 1n4m h PHE 404 N 0.65 1.14 0.00 4.88 0.04 -1.02 -2.81 116.94 119.83 1n4m h PHE 404 Ca 0.07 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1n4m h PHE 404 Cb 0.85 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1n4m h PHE 404 CO 0.04 0.96 0.00 -0.91 -0.60 0.00 0.00 178.31 177.80 1n4m h ASN 405 N 0.99 0.00 -0.67 2.17 2.35 -1.01 -2.76 115.58 116.64 1n4m h ASN 405 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1n4m h ASN 405 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1n4m h ASN 405 CO 0.01 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.38 1n4m n ASN 406 N -2.60 3.67 -4.85 5.81 5.03 -1.06 -4.93 115.26 116.33 1n4m n ASN 406 Ca 0.02 -2.00 -0.34 0.00 0.87 0.00 0.00 54.58 53.13 1n4m n ASN 406 Cb 0.27 -0.45 -0.06 0.00 -1.02 0.00 0.00 39.78 38.52 1n4m n ASN 406 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1n4m h THR 408 N 2.27 1.18 -3.52 0.00 2.02 -1.91 -3.37 112.91 109.59 1n4m h THR 408 Ca -0.48 -0.38 -0.67 0.00 0.77 0.00 0.00 66.41 65.66 1n4m h THR 408 Cb 1.18 -0.01 -0.30 0.00 -1.74 0.00 0.00 68.15 67.28 1n4m h THR 408 CO 0.66 0.20 -0.71 -0.69 0.37 0.00 0.00 175.52 175.35 1n4m s VAL 409 N -6.12 3.27 -0.10 3.16 1.01 -1.26 -5.07 120.40 115.29 1n4m s VAL 409 Ca -0.13 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 1n4m s VAL 409 Cb 0.16 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1n4m s VAL 409 CO 0.79 0.20 1.78 0.21 0.00 0.00 0.00 175.10 178.09 1n4m s ASN 410 N 1.40 6.39 0.00 3.32 3.84 -1.26 -4.85 114.94 123.78 1n4m s ASN 410 Ca 0.02 2.12 0.26 0.00 0.21 0.00 0.00 52.86 55.47 1n4m s ASN 410 Cb -0.16 -2.53 0.71 0.00 -0.55 0.00 0.00 41.25 38.72 1n4m s ASN 410 CO -0.02 -1.17 1.54 -0.81 -2.79 0.00 0.00 177.10 173.84 1n4m n PRO 411 N 7.57 0.90 -0.19 0.43 -0.04 -1.26 -4.57 135.00 137.84 1n4m n PRO 411 Ca 0.20 -0.55 -0.06 0.00 -0.04 0.00 0.00 63.50 63.05 1n4m n PRO 411 Cb 0.43 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.35 1n4m n PRO 411 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1n4m h LYS 412 N 1.34 -0.03 -0.93 0.54 3.11 -1.89 0.73 116.57 119.44 1n4m h LYS 412 Ca 0.00 0.00 0.07 0.00 -2.81 0.00 0.00 60.65 57.91 1n4m h LYS 412 Cb 0.53 0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 31.70 1n4m h LYS 412 CO 0.00 -0.02 0.60 0.93 -2.81 0.00 0.00 179.45 178.15 1n4m h GLU 413 N -0.03 1.02 -0.52 1.90 4.39 -2.00 -1.39 114.58 117.94 1n4m h GLU 413 Ca 0.07 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 1n4m h GLU 413 Cb 0.22 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1n4m h GLU 413 CO -0.45 0.67 -0.05 0.77 -1.16 0.00 0.00 179.01 178.80 1n4m h SER 414 N 1.05 0.94 -0.30 1.42 0.02 -1.49 -0.99 113.55 114.20 1n4m h SER 414 Ca 0.41 -0.33 -0.18 0.00 -0.84 0.00 0.00 61.79 60.84 1n4m h SER 414 Cb 0.23 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1n4m h SER 414 CO -0.16 1.05 -0.53 0.16 -1.14 0.00 0.00 176.83 176.21 1n4m h ILE 415 N 0.82 1.27 -0.23 3.27 -0.00 -0.43 -0.67 117.51 121.54 1n4m h ILE 415 Ca 0.14 -1.71 -0.02 0.00 -0.00 0.00 0.00 64.86 63.27 1n4m h ILE 415 Cb 0.59 1.59 -0.01 0.00 -0.00 0.00 0.00 36.82 39.00 1n4m h ILE 415 CO 0.04 0.56 0.07 -0.07 -0.00 0.00 0.00 178.15 178.75 1n4m h LEU 416 N 0.69 0.34 -0.57 0.16 3.38 -1.21 -1.49 115.31 116.62 1n4m h LEU 416 Ca 0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1n4m h LEU 416 Cb 1.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1n4m h LEU 416 CO 0.12 0.46 0.14 0.11 0.09 0.00 0.00 178.44 179.36 1n4m h LYS 417 N 0.21 0.91 -0.39 1.13 1.57 -1.14 -1.90 116.57 116.95 1n4m h LYS 417 Ca 0.08 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1n4m h LYS 417 Cb 0.24 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 1n4m h LYS 417 CO -0.00 0.85 0.15 -0.09 -0.57 0.00 0.00 179.45 179.79 1n4m h ARG 418 N 0.81 0.31 -0.49 3.15 2.43 -1.02 0.45 114.38 120.03 1n4m h ARG 418 Ca 0.18 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 1n4m h ARG 418 Cb 0.35 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1n4m h ARG 418 CO 0.00 0.21 0.19 0.28 -1.51 0.00 0.00 179.97 179.14 1n4m h VAL 419 N 0.32 0.86 -0.33 0.20 2.07 -0.94 0.24 116.25 118.67 1n4m h VAL 419 Ca 0.18 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.44 1n4m h VAL 419 Cb 0.14 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1n4m h VAL 419 CO -0.17 0.07 -0.29 0.50 0.02 0.00 0.00 177.57 177.70 1n4m h LYS 420 N 0.38 0.78 -0.14 1.57 3.64 -0.58 -2.15 116.57 120.06 1n4m h LYS 420 Ca 0.23 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1n4m h LYS 420 Cb 0.22 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1n4m h LYS 420 CO -0.22 1.02 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.52 1n4m h ASP 421 N 0.55 0.26 0.41 4.20 5.19 0.29 -2.21 116.42 125.11 1n4m h ASP 421 Ca 0.06 -0.35 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 1n4m h ASP 421 Cb 0.86 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 1n4m h ASP 421 CO 0.07 0.54 -0.03 0.40 -3.12 0.00 0.00 179.24 177.11 1n4m h ILE 422 N -0.03 0.17 -0.15 0.35 1.08 -0.59 -2.30 117.51 116.04 1n4m h ILE 422 Ca 0.04 -0.30 -0.05 0.00 -0.39 0.00 0.00 64.86 64.15 1n4m h ILE 422 Cb 0.42 1.25 -0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1n4m h ILE 422 CO 0.01 0.03 -0.11 1.23 -0.69 0.00 0.00 178.15 178.62 1n4m h GLY 423 N 0.86 0.36 1.09 5.37 0.00 -0.79 0.63 103.07 110.59 1n4m h GLY 423 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1n4m h GLY 423 CO 0.00 0.31 0.37 -0.97 0.00 0.00 0.00 176.54 176.26 1n4m h TYR 424 N -0.03 1.17 -0.18 5.60 0.05 -0.99 -0.63 116.97 121.96 1n4m h TYR 424 Ca 0.03 -0.06 -0.11 0.00 0.05 0.00 0.00 58.73 58.64 1n4m h TYR 424 Cb 0.61 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1n4m h TYR 424 CO 0.08 0.86 -0.32 0.82 -1.05 0.00 0.00 178.16 178.55 1n4m h ILE 425 N 1.15 1.34 -0.07 -2.88 2.04 -1.33 -1.56 117.51 116.21 1n4m h ILE 425 Ca 0.28 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 1n4m h ILE 425 Cb 0.14 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1n4m h ILE 425 CO -0.03 0.47 -0.01 0.15 0.00 0.00 0.00 178.15 178.73 1n4m h PHE 426 N 0.17 0.14 -1.00 1.37 3.04 0.34 -2.07 116.94 118.93 1n4m h PHE 426 Ca 0.01 -0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.96 1n4m h PHE 426 Cb 0.91 -0.03 -0.06 0.00 2.56 0.00 0.00 35.95 39.33 1n4m h PHE 426 CO 0.09 0.43 0.66 0.87 -2.02 0.00 0.00 178.31 178.34 1n4m h LYS 427 N -0.20 1.25 -0.03 1.11 1.57 -1.16 0.19 116.57 119.31 1n4m h LYS 427 Ca 0.02 -0.08 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 1n4m h LYS 427 Cb 0.38 -0.28 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1n4m h LYS 427 CO 0.01 0.83 -0.97 1.05 -0.57 0.00 0.00 179.45 179.79 1n4m h GLU 428 N 1.29 0.65 -0.31 3.15 -0.00 -1.28 -1.48 114.58 116.60 1n4m h GLU 428 Ca 0.39 -0.66 -0.15 0.00 -0.00 0.00 0.00 59.36 58.94 1n4m h GLU 428 Cb -0.04 0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 28.88 1n4m h GLU 428 CO -0.11 1.26 -0.39 0.87 -0.00 0.00 0.00 179.01 180.63 1n4m h LYS 429 N 0.38 0.75 -0.33 1.06 1.57 -1.12 -1.83 116.57 117.05 1n4m h LYS 429 Ca -0.10 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 1n4m h LYS 429 Cb 1.62 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.92 1n4m h LYS 429 CO 0.19 1.01 0.09 0.35 -0.57 0.00 0.00 179.45 180.52 1n4m h PHE 430 N 0.62 0.55 -0.21 -1.35 3.04 -0.64 -2.35 116.94 116.60 1n4m h PHE 430 Ca 0.05 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1n4m h PHE 430 Cb 0.94 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1n4m h PHE 430 CO 0.05 0.56 0.06 0.00 -2.02 0.00 0.00 178.31 176.96 1n4m h ALA 431 N 0.93 1.73 -0.00 2.41 0.00 -1.14 0.43 119.26 123.61 1n4m h ALA 431 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n4m h ALA 431 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1n4m h ALA 431 CO -0.00 0.21 -0.01 1.63 0.00 0.00 0.00 179.25 181.08 1n4m n LYS 432 N -4.43 0.33 -0.06 0.00 5.02 -0.70 0.12 118.16 118.44 1n4m n LYS 432 Ca 0.00 -0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.09 1n4m n LYS 432 Cb 0.13 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.51 1n4m n LYS 432 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n4m n ALA 433 N -1.32 1.18 0.27 7.82 0.00 0.05 -4.62 120.51 123.89 1n4m n ALA 433 Ca 0.12 -0.86 0.06 0.00 0.00 0.00 0.00 53.44 52.76 1n4m n ALA 433 Cb 0.27 -0.39 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 1n4m n ALA 433 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n4m n VAL 434 N -3.36 0.00 0.00 0.00 0.31 -0.66 -4.97 118.33 109.65 1n4m n VAL 434 Ca -0.39 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1n4m n VAL 434 Cb 1.02 0.64 0.00 0.00 -0.91 0.00 0.00 33.84 34.59 1n4m n VAL 434 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n4m n GLY 435 N 1.54 2.50 0.24 2.92 0.00 0.32 -4.66 105.19 108.06 1n4m n GLY 435 Ca 0.00 -1.88 0.10 0.00 0.00 0.00 0.00 46.02 44.24 1n4m n GLY 435 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4m h ALA 436 N 0.00 1.33 0.00 4.61 0.00 -1.98 -1.63 119.26 121.59 1n4m h ALA 436 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1n4m h ALA 436 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1n4m h ALA 436 CO 0.00 0.23 0.00 0.78 0.00 0.00 0.00 179.25 180.26 1n4m h GLY 437 N 0.97 0.00 -2.19 0.00 0.00 -1.93 -2.47 103.07 97.45 1n4m h GLY 437 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1n4m h GLY 437 CO 0.02 0.00 0.05 0.00 0.00 0.00 0.00 176.54 176.61 1n4m h VAL 439 N 1.49 1.24 -0.16 0.00 -1.51 -1.48 -2.36 116.25 113.46 1n4m h VAL 439 Ca 0.17 -0.47 -0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1n4m h VAL 439 Cb 1.74 -0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.84 1n4m h VAL 439 CO 0.42 0.24 0.10 0.00 -1.23 0.00 0.00 177.57 177.09 1n4m h ALA 440 N 1.40 1.87 -0.12 5.19 0.00 -1.85 -2.40 119.26 123.35 1n4m h ALA 440 Ca 0.32 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 1n4m h ALA 440 Cb -0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1n4m h ALA 440 CO -0.07 0.12 -0.59 0.97 0.00 0.00 0.00 179.25 179.68 1n4m h ILE 441 N 0.22 1.35 -0.58 0.00 6.09 -1.79 -1.88 117.51 120.93 1n4m h ILE 441 Ca 0.06 -1.91 -0.03 0.00 -1.37 0.00 0.00 64.86 61.61 1n4m h ILE 441 Cb -0.01 1.91 -0.03 0.00 0.47 0.00 0.00 36.82 39.17 1n4m h ILE 441 CO -0.01 0.58 0.25 1.23 -3.07 0.00 0.00 178.15 177.13 1n4m h GLY 442 N 1.26 0.91 1.02 8.18 0.00 -1.43 0.70 103.07 113.72 1n4m h GLY 442 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1n4m h GLY 442 CO 0.10 0.45 0.52 1.76 0.00 0.00 0.00 176.54 179.37 1n4m h SER 443 N 0.79 1.12 0.13 0.19 0.02 -1.36 0.46 113.55 114.90 1n4m h SER 443 Ca 0.20 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.92 1n4m h SER 443 Cb 0.17 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1n4m h SER 443 CO -0.02 0.88 -0.49 1.56 -1.14 0.00 0.00 176.83 177.62 1n4m h GLN 444 N 1.26 0.41 0.04 3.45 1.08 -0.79 0.33 115.11 120.89 1n4m h GLN 444 Ca 0.32 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1n4m h GLN 444 Cb -0.01 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1n4m h GLN 444 CO -0.06 0.81 -0.02 0.00 -0.95 0.00 0.00 178.83 178.62 1n4m h ARG 445 N 0.33 -0.05 -0.29 1.46 2.47 -0.46 -2.24 114.38 115.59 1n4m h ARG 445 Ca 0.02 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.78 1n4m h ARG 445 Cb 0.98 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.27 1n4m h ARG 445 CO 0.08 0.24 0.08 -0.92 0.56 0.00 0.00 179.97 180.01 1n4m h TYR 446 N -0.33 0.14 -0.16 3.04 3.20 -0.65 -0.59 116.97 121.62 1n4m h TYR 446 Ca -0.00 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1n4m h TYR 446 Cb 0.30 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1n4m h TYR 446 CO 0.02 0.05 -0.18 0.87 -1.64 0.00 0.00 178.16 177.28 1n4m h LYS 447 N 0.20 -0.20 -0.33 1.82 1.57 -0.24 -0.61 116.57 118.77 1n4m h LYS 447 Ca 0.13 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1n4m h LYS 447 Cb 0.12 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1n4m h LYS 447 CO -0.16 -0.13 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.37 1n4m h LEU 448 N -0.21 0.58 -0.84 2.94 3.38 -1.16 -2.02 115.31 117.98 1n4m h LEU 448 Ca 0.11 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1n4m h LEU 448 Cb 0.36 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1n4m h LEU 448 CO -0.28 0.75 0.09 1.23 0.09 0.00 0.00 178.44 180.32 1n4m h GLY 449 N 0.97 1.04 1.64 0.83 0.00 -0.64 0.09 103.07 107.00 1n4m h GLY 449 Ca 0.09 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 1n4m h GLY 449 CO 0.04 0.62 -0.52 -2.08 0.00 0.00 0.00 176.54 174.59 1n4m h VAL 450 N 0.91 1.34 -0.52 4.60 2.07 -0.86 0.12 116.25 123.90 1n4m h VAL 450 Ca 0.18 -1.78 -0.12 0.00 0.82 0.00 0.00 66.70 65.81 1n4m h VAL 450 Cb 0.40 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1n4m h VAL 450 CO 0.01 0.54 -0.14 0.03 0.02 0.00 0.00 177.57 178.02 1n4m h ARG 451 N 0.30 1.01 -0.60 1.57 3.08 -0.99 -0.63 114.38 118.12 1n4m h ARG 451 Ca 0.01 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.60 1n4m h ARG 451 Cb 1.02 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1n4m h ARG 451 CO 0.09 1.07 0.10 1.25 -1.07 0.00 0.00 179.97 181.41 1n4m h LEU 452 N 0.89 0.96 0.27 3.04 5.85 -0.77 -0.37 115.31 125.18 1n4m h LEU 452 Ca 0.13 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1n4m h LEU 452 Cb 0.71 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1n4m h LEU 452 CO 0.05 0.97 -0.36 0.22 -0.34 0.00 0.00 178.44 178.98 1n4m h TYR 453 N 0.90 -0.99 -0.76 1.25 3.20 -0.33 0.22 116.97 120.46 1n4m h TYR 453 Ca 0.18 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1n4m h TYR 453 Cb 0.42 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 1n4m h TYR 453 CO 0.03 -0.49 0.41 1.88 -1.64 0.00 0.00 178.16 178.35 1n4m h TYR 454 N -0.69 1.05 0.16 -3.82 0.05 -0.99 0.14 116.97 112.86 1n4m h TYR 454 Ca -0.01 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1n4m h TYR 454 Cb 0.65 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 1n4m h TYR 454 CO -0.25 0.74 -0.16 -0.09 -1.05 0.00 0.00 178.16 177.35 1n4m h ARG 455 N 1.06 -0.34 -0.38 4.88 2.43 -0.73 0.14 114.38 121.44 1n4m h ARG 455 Ca 0.27 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.35 1n4m h ARG 455 Cb 0.04 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1n4m h ARG 455 CO -0.04 -0.23 -0.21 0.28 -1.51 0.00 0.00 179.97 178.26 1n4m h VAL 456 N -0.35 1.27 -0.07 0.20 2.07 -0.39 -0.49 116.25 118.49 1n4m h VAL 456 Ca 0.01 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1n4m h VAL 456 Cb 0.34 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1n4m h VAL 456 CO -0.05 0.43 0.04 -0.03 0.02 0.00 0.00 177.57 177.99 1n4m h MET 457 N 0.64 0.09 -0.28 1.57 1.85 -0.37 0.27 114.93 118.70 1n4m h MET 457 Ca 0.09 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.18 1n4m h MET 457 Cb 0.70 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 1n4m h MET 457 CO 0.05 0.06 0.18 1.49 -0.40 0.00 0.00 176.91 178.29 1n4m h GLU 458 N 0.09 0.38 -0.35 0.39 4.81 -0.53 -0.38 114.58 118.99 1n4m h GLU 458 Ca 0.02 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1n4m h GLU 458 Cb -0.01 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.22 1n4m h GLU 458 CO -0.01 0.27 -0.16 1.03 -0.73 0.00 0.00 179.01 179.42 1n4m h SER 459 N 0.37 -0.54 -0.59 1.04 0.87 -0.57 -1.15 113.55 112.98 1n4m h SER 459 Ca 0.10 0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1n4m h SER 459 Cb -0.02 0.30 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1n4m h SER 459 CO -0.02 -0.19 0.38 0.24 -0.53 0.00 0.00 176.83 176.71 1n4m h MET 460 N -0.10 0.74 -0.13 2.24 2.86 -0.10 -1.02 114.93 119.42 1n4m h MET 460 Ca 0.17 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1n4m h MET 460 Cb 0.37 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1n4m h MET 460 CO -0.41 0.49 -0.13 -0.07 1.06 0.00 0.00 176.91 177.85 1n4m h LEU 461 N 0.77 0.19 -0.11 1.22 3.38 -0.40 0.34 115.31 120.70 1n4m h LEU 461 Ca 0.23 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1n4m h LEU 461 Cb -0.04 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1n4m h LEU 461 CO -0.07 0.35 -0.31 0.11 0.09 0.00 0.00 178.44 178.62 1n4m h LYS 462 N 0.20 0.41 -0.95 1.13 1.57 -0.73 0.98 116.57 119.18 1n4m h LYS 462 Ca 0.04 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1n4m h LYS 462 Cb 0.36 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1n4m h LYS 462 CO 0.02 0.90 0.63 0.77 -0.57 0.00 0.00 179.45 181.21 1n4m h SER 463 N -0.02 1.09 -0.19 0.86 0.02 -0.64 -0.76 113.55 113.91 1n4m h SER 463 Ca -0.01 -0.03 -0.21 0.00 -0.84 0.00 0.00 61.79 60.70 1n4m h SER 463 Cb 0.92 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.20 1n4m h SER 463 CO 0.07 0.79 -0.72 -0.08 -1.14 0.00 0.00 176.83 175.74 1n4m h GLU 464 N 1.29 0.82 -0.67 3.45 4.57 -0.30 0.43 114.58 124.18 1n4m h GLU 464 Ca 0.35 -0.63 -0.01 0.00 -1.18 0.00 0.00 59.36 57.89 1n4m h GLU 464 Cb -0.14 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1n4m h GLU 464 CO -0.08 1.24 0.36 1.49 -1.18 0.00 0.00 179.01 180.85 1n4m h GLU 465 N 0.57 0.93 -0.18 1.92 4.81 -0.43 -1.19 114.58 121.02 1n4m h GLU 465 Ca -0.04 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 1n4m h GLU 465 Cb 1.35 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1n4m h GLU 465 CO 0.15 0.70 -0.07 1.49 -0.73 0.00 0.00 179.01 180.55 1n4m h GLU 466 N 0.91 0.36 -0.39 1.92 4.81 -1.11 1.26 114.58 122.34 1n4m h GLU 466 Ca 0.23 -0.15 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1n4m h GLU 466 Cb 0.04 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1n4m h GLU 466 CO -0.04 0.65 0.03 -0.09 -0.73 0.00 0.00 179.01 178.84 1n4m h ARG 467 N 0.05 0.14 0.00 1.92 2.43 0.15 -3.27 114.38 115.81 1n4m h ARG 467 Ca 0.04 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1n4m h ARG 467 Cb 0.54 -0.03 -0.18 0.00 -0.42 0.00 0.00 29.97 29.88 1n4m h ARG 467 CO 0.02 0.09 -0.75 1.47 -1.51 0.00 0.00 179.97 179.30 1n4m n LEU 468 N -5.16 1.91 -2.01 3.80 -0.00 -0.48 -5.06 117.00 110.01 1n4m n LEU 468 Ca 0.03 -3.01 -0.07 0.00 -0.00 0.00 0.00 56.01 52.96 1n4m n LEU 468 Cb 0.20 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1n4m n LEU 468 CO 0.21 0.98 -0.05 -0.24 -0.00 0.00 0.00 177.39 178.29 1n4m n SER 469 N -0.37 -1.04 0.00 1.45 2.88 0.43 -4.88 113.62 112.09 1n4m n SER 469 Ca 0.13 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1n4m n SER 469 Cb 0.90 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1n4m n SER 469 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4m n ILE 470 N -0.39 0.00 0.00 2.46 0.00 -1.21 -5.05 119.36 115.17 1n4m n ILE 470 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.71 1n4m n ILE 470 Cb 0.14 -0.87 0.00 0.00 0.00 0.00 0.00 39.64 38.91 1n4m n ILE 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1n4m n GLN 471 N -2.59 0.00 0.00 9.51 6.02 -1.26 -4.92 117.38 124.14 1n4m n GLN 471 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1n4m n GLN 471 Cb 0.32 -0.27 0.00 0.00 1.02 0.00 0.00 30.24 31.31 1n4m n GLN 471 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1n4m n ASN 472 N 0.62 0.00 0.00 1.08 2.85 -1.26 -4.80 115.26 113.75 1n4m n ASN 472 Ca 0.00 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1n4m n ASN 472 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1n4m n ASN 472 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1n4m n PHE 473 N -0.03 0.00 -0.36 1.20 3.01 -1.26 -4.33 117.46 115.68 1n4m n PHE 473 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 1n4m n PHE 473 Cb 0.00 -0.38 0.19 0.00 -0.01 0.00 0.00 39.48 39.28 1n4m n PHE 473 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1n4m h SER 474 N 0.00 0.99 -0.66 4.37 0.87 -1.89 -0.33 113.55 116.90 1n4m h SER 474 Ca 0.00 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1n4m h SER 474 Cb 0.00 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 61.73 1n4m h SER 474 CO 0.00 0.60 0.39 0.50 -0.53 0.00 0.00 176.83 177.80 1n4m h LYS 475 N 1.10 0.73 0.10 2.24 1.63 -1.94 -1.67 116.57 118.76 1n4m h LYS 475 Ca 0.44 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.20 1n4m h LYS 475 Cb 0.25 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1n4m h LYS 475 CO -0.20 0.49 -0.05 1.25 -3.45 0.00 0.00 179.45 177.49 1n4m h LEU 476 N 0.76 -0.11 -1.50 5.20 5.85 -1.76 -3.30 115.31 120.46 1n4m h LEU 476 Ca 0.28 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1n4m h LEU 476 Cb 0.09 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1n4m h LEU 476 CO -0.14 0.53 0.00 -0.07 -0.34 0.00 0.00 178.44 178.42 1n4m h LEU 477 N -0.86 0.00 -2.43 2.25 3.38 -1.09 -1.29 115.31 115.27 1n4m h LEU 477 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n4m h LEU 477 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1n4m h LEU 477 CO 0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.14 1n4m n ASN 478 N -2.48 3.53 -4.44 -0.43 3.02 -0.63 -4.80 115.26 109.02 1n4m n ASN 478 Ca -0.01 -1.98 -0.43 0.00 -0.03 0.00 0.00 54.58 52.13 1n4m n ASN 478 Cb 0.12 -0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 1n4m n ASN 478 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1n4m s ASP 479 N -1.34 6.19 0.29 6.41 3.68 -0.49 -4.91 116.67 126.50 1n4m s ASP 479 Ca 0.40 -1.04 0.03 0.00 2.13 0.00 0.00 52.55 54.06 1n4m s ASP 479 Cb 0.23 -2.39 0.65 0.00 -1.45 0.00 0.00 42.92 39.95 1n4m s ASP 479 CO 0.31 -1.34 1.78 -1.13 0.13 0.00 0.00 175.17 174.91 1n4m h ASN 480 N 9.45 0.70 -0.43 -0.34 -1.24 -1.88 -0.57 115.58 121.27 1n4m h ASN 480 Ca -0.29 0.09 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 1n4m h ASN 480 Cb 1.07 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 40.07 1n4m h ASN 480 CO 1.15 0.28 0.20 0.40 -1.29 0.00 0.00 177.43 178.17 1n4m h ILE 481 N 0.74 1.18 -0.12 2.57 1.08 -1.96 0.11 117.51 121.11 1n4m h ILE 481 Ca 0.53 -0.52 0.03 0.00 -0.39 0.00 0.00 64.86 64.51 1n4m h ILE 481 Cb 0.77 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 1n4m h ILE 481 CO -0.37 0.20 -0.06 0.15 -0.69 0.00 0.00 178.15 177.38 1n4m h PHE 482 N 0.55 -0.15 -0.04 1.37 3.57 -1.48 -1.37 116.94 119.40 1n4m h PHE 482 Ca 0.15 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1n4m h PHE 482 Cb 0.13 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1n4m h PHE 482 CO -0.01 -0.10 -0.16 0.45 -2.23 0.00 0.00 178.31 176.26 1n4m h HIS 483 N -0.06 0.06 -0.00 0.41 3.86 -0.80 -1.85 115.15 116.76 1n4m h HIS 483 Ca 0.07 -0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.10 1n4m h HIS 483 Cb 0.16 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1n4m h HIS 483 CO -0.19 0.21 -0.82 1.98 0.86 0.00 0.00 177.93 179.97 1n4m h MET 484 N 0.05 0.08 0.09 2.45 4.05 -0.40 -2.54 114.93 118.71 1n4m h MET 484 Ca 0.01 -0.08 -0.26 0.00 -0.28 0.00 0.00 59.70 59.09 1n4m h MET 484 Cb 0.31 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.14 1n4m h MET 484 CO 0.02 0.85 -1.14 1.03 0.23 0.00 0.00 176.91 177.90 1n4m h SER 485 N 0.04 0.44 -0.22 1.39 0.87 -0.89 -0.32 113.55 114.86 1n4m h SER 485 Ca -0.02 -0.43 -0.07 0.00 -1.23 0.00 0.00 61.79 60.04 1n4m h SER 485 Cb 1.43 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1n4m h SER 485 CO 0.11 1.30 -0.13 0.25 -0.53 0.00 0.00 176.83 177.83 1n4m h LEU 486 N 0.11 0.49 0.06 2.23 6.46 -1.39 0.77 115.31 124.04 1n4m h LEU 486 Ca -0.11 -0.43 -0.00 0.00 -0.12 0.00 0.00 57.88 57.22 1n4m h LEU 486 Cb 1.84 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 41.63 1n4m h LEU 486 CO 0.19 0.81 -0.03 0.25 -0.62 0.00 0.00 178.44 179.04 1n4m h LEU 487 N 0.17 -0.06 -0.55 2.25 6.46 -1.48 0.16 115.31 122.25 1n4m h LEU 487 Ca 0.05 -0.14 0.03 0.00 -0.12 0.00 0.00 57.88 57.69 1n4m h LEU 487 Cb 0.63 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 1n4m h LEU 487 CO 0.04 0.10 0.32 0.00 -0.62 0.00 0.00 178.44 178.29 1n4m h ALA 488 N 0.70 0.71 -0.51 1.25 0.00 -1.05 0.43 119.26 120.79 1n4m h ALA 488 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1n4m h ALA 488 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1n4m h ALA 488 CO 0.01 0.03 0.05 0.00 0.00 0.00 0.00 179.25 179.34 1n4m h ALA 490 N 1.28 0.66 0.00 0.00 0.00 0.28 -2.44 119.26 119.04 1n4m h ALA 490 Ca 0.16 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1n4m h ALA 490 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1n4m h ALA 490 CO 0.01 0.67 -0.32 -0.07 0.00 0.00 0.00 179.25 179.54 1n4m h LEU 491 N 0.63 0.00 -0.46 0.00 3.38 0.28 -2.39 115.31 116.74 1n4m h LEU 491 Ca 0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1n4m h LEU 491 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1n4m h LEU 491 CO 0.09 0.32 -0.59 -0.08 0.09 0.00 0.00 178.44 178.28 1n4m h GLU 492 N 0.00 0.57 0.40 1.13 4.57 -0.56 0.12 114.58 120.81 1n4m h GLU 492 Ca -0.00 -0.38 -0.02 0.00 -1.18 0.00 0.00 59.36 57.78 1n4m h GLU 492 Cb 0.70 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1n4m h GLU 492 CO 0.04 1.00 -0.19 0.28 -1.18 0.00 0.00 179.01 178.95 1n4m h VAL 493 N 0.43 0.55 -0.67 0.32 2.07 -1.13 0.23 116.25 118.05 1n4m h VAL 493 Ca -0.00 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1n4m h VAL 493 Cb 1.15 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1n4m h VAL 493 CO 0.11 0.08 0.42 0.58 0.02 0.00 0.00 177.57 178.78 1n4m h VAL 494 N -0.83 1.10 -0.18 2.57 2.07 -1.46 -0.49 116.25 119.03 1n4m h VAL 494 Ca -0.06 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1n4m h VAL 494 Cb 0.54 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1n4m h VAL 494 CO 0.09 0.15 0.06 -0.03 0.02 0.00 0.00 177.57 177.86 1n4m h MET 495 N 0.84 0.14 -0.21 1.57 -1.53 -0.68 -2.81 114.93 112.25 1n4m h MET 495 Ca 0.27 -0.01 -0.15 0.00 -3.44 0.00 0.00 59.70 56.37 1n4m h MET 495 Cb -0.00 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.01 1n4m h MET 495 CO -0.10 0.09 -0.48 0.00 0.14 0.00 0.00 176.91 176.57 1n4m h ALA 496 N 1.12 0.77 -0.18 0.39 0.00 -0.18 -0.85 119.26 120.32 1n4m h ALA 496 Ca 0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1n4m h ALA 496 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1n4m h ALA 496 CO -0.08 0.67 -0.16 1.79 0.00 0.00 0.00 179.25 181.47 1n4m h THR 497 N 0.44 1.21 -0.61 0.00 1.35 -1.01 -2.62 112.91 111.68 1n4m h THR 497 Ca 0.02 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1n4m h THR 497 Cb 1.00 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1n4m h THR 497 CO 0.09 0.29 0.00 -1.22 -0.25 0.00 0.00 175.52 174.43 1n4m n TYR 498 N -4.23 1.09 0.00 4.73 4.01 -1.07 -4.72 117.16 116.98 1n4m n TYR 498 Ca -0.00 -0.57 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 1n4m n TYR 498 Cb 0.30 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1n4m n TYR 498 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1n4m n SER 499 N 1.11 0.00 -0.33 7.72 2.88 -0.34 0.13 113.62 124.79 1n4m n SER 499 Ca 0.23 0.99 0.14 0.00 -1.33 0.00 0.00 58.87 58.90 1n4m n SER 499 Cb 0.71 -0.49 0.36 0.00 -0.75 0.00 0.00 64.21 64.05 1n4m n SER 499 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1n4m h ARG 500 N 0.00 0.67 -0.54 -1.46 3.08 -1.84 0.94 114.38 115.23 1n4m h ARG 500 Ca 0.00 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1n4m h ARG 500 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1n4m h ARG 500 CO 0.00 0.44 -0.09 1.03 -1.07 0.00 0.00 179.97 180.28 1n4m h SER 501 N 0.69 1.00 0.01 7.04 0.87 -1.56 -2.14 113.55 119.46 1n4m h SER 501 Ca 0.55 -0.32 -0.15 0.00 -1.23 0.00 0.00 61.79 60.64 1n4m h SER 501 Cb 0.95 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1n4m h SER 501 CO -0.32 1.10 -0.51 0.74 -0.53 0.00 0.00 176.83 177.31 1n4m h THR 502 N 0.90 1.32 -0.11 2.23 2.02 0.21 -2.66 112.91 116.81 1n4m h THR 502 Ca 0.14 -1.73 0.03 0.00 0.77 0.00 0.00 66.41 65.62 1n4m h THR 502 Cb 0.65 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1n4m h THR 502 CO 0.04 0.54 0.12 0.28 0.37 0.00 0.00 175.52 176.87 1n4m h SER 503 N 0.43 0.00 -3.88 4.18 0.02 0.13 -3.38 113.55 111.05 1n4m h SER 503 Ca 0.02 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.50 1n4m h SER 503 Cb 1.04 0.00 0.16 0.00 0.14 0.00 0.00 62.40 63.74 1n4m h SER 503 CO 0.10 0.00 0.19 -1.10 -1.14 0.00 0.00 176.83 174.88 1n4m s GLN 504 N -4.67 0.57 -1.33 3.45 -1.52 -0.85 -2.90 119.66 112.42 1n4m s GLN 504 Ca -0.05 0.72 -0.06 0.00 -1.95 0.00 0.00 55.36 54.03 1n4m s GLN 504 Cb 0.15 -1.74 0.01 0.00 -0.22 0.00 0.00 33.01 31.21 1n4m s GLN 504 CO 0.56 -2.68 0.11 0.27 -0.25 0.00 0.00 175.29 173.29 1n4m n ASN 505 N -4.17 0.05 0.00 5.90 0.23 -1.26 -4.66 115.26 111.35 1n4m n ASN 505 Ca 0.06 -1.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.96 1n4m n ASN 505 Cb 0.56 -1.41 0.00 0.00 -2.08 0.00 0.00 39.78 36.85 1n4m n ASN 505 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1n4m n LEU 506 N -4.27 0.00 -0.72 -4.53 7.94 -1.14 -4.83 117.00 109.44 1n4m n LEU 506 Ca -0.26 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.68 1n4m n LEU 506 Cb 0.60 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.53 1n4m n LEU 506 CO 0.74 0.00 -0.14 -0.67 -1.11 0.00 0.00 177.39 176.21 1n4m n ASP 507 N -0.95 -1.89 0.00 1.96 -0.08 -1.16 -4.90 116.55 109.54 1n4m n ASP 507 Ca 0.00 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1n4m n ASP 507 Cb 0.00 -2.30 0.00 0.00 2.34 0.00 0.00 41.12 41.16 1n4m n ASP 507 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1n4m n SER 508 N -3.56 0.00 -1.97 1.67 7.64 -1.26 -4.07 113.62 112.07 1n4m n SER 508 Ca -0.02 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.70 1n4m n SER 508 Cb 0.28 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.49 1n4m n SER 508 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4m n GLY 509 N 0.00 3.92 2.32 0.23 0.00 -1.26 -4.46 105.19 105.94 1n4m n GLY 509 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 1n4m n GLY 509 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1n4m n THR 510 N 0.68 -0.67 -3.90 2.61 5.66 -1.26 -5.03 114.28 112.38 1n4m n THR 510 Ca 0.31 -3.47 -0.30 0.00 -3.05 0.00 0.00 64.05 57.54 1n4m n THR 510 Cb 0.58 -1.34 -0.14 0.00 -1.55 0.00 0.00 70.33 67.89 1n4m n THR 510 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1n4m s ASP 511 N -0.97 4.17 -0.39 1.09 2.15 -1.26 -4.58 116.67 116.88 1n4m s ASP 511 Ca 0.34 -2.95 -0.27 0.00 0.43 0.00 0.00 52.55 50.10 1n4m s ASP 511 Cb 0.15 -1.51 -0.27 0.00 -0.30 0.00 0.00 42.92 40.99 1n4m s ASP 511 CO -0.14 -0.23 1.76 0.00 -0.17 0.00 0.00 175.17 176.38 1n4m n LEU 512 N 3.17 2.38 0.00 -1.34 -0.00 -1.26 -4.91 117.00 115.04 1n4m n LEU 512 Ca 0.06 -2.16 0.00 0.00 -0.00 0.00 0.00 56.01 53.91 1n4m n LEU 512 Cb 0.33 -0.83 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 1n4m n LEU 512 CO 0.32 -1.34 0.00 -0.24 -0.00 0.00 0.00 177.39 176.12 1n4m n SER 513 N 8.79 0.00 -0.09 1.45 2.88 -1.26 -4.71 113.62 120.67 1n4m n SER 513 Ca 0.48 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.91 1n4m n SER 513 Cb 0.42 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 1n4m n SER 513 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1n4m n PHE 514 N 0.00 0.08 0.23 0.66 7.35 -1.26 -4.37 117.46 120.14 1n4m n PHE 514 Ca 0.00 0.03 0.05 0.00 -0.76 0.00 0.00 57.45 56.77 1n4m n PHE 514 Cb 0.00 -0.58 0.27 0.00 0.35 0.00 0.00 39.48 39.52 1n4m n PHE 514 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1n4m h PRO 515 N -1.00 0.00 0.01 -7.13 0.11 -1.99 -2.13 132.00 119.87 1n4m h PRO 515 Ca -0.08 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.07 1n4m h PRO 515 Cb 1.03 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 1n4m h PRO 515 CO -0.05 0.00 -0.34 2.35 -0.21 0.00 0.00 178.00 179.75 1n4m h TRP 516 N 0.00 -0.94 -0.69 0.65 7.01 -1.84 -1.21 115.95 118.92 1n4m h TRP 516 Ca 0.00 0.03 0.15 0.00 2.11 0.00 0.00 58.89 61.18 1n4m h TRP 516 Cb 1.15 0.42 -0.04 0.00 -2.10 0.00 0.00 29.16 28.58 1n4m h TRP 516 CO 0.00 -0.43 0.47 0.97 -2.79 0.00 0.00 178.44 176.66 1n4m h ILE 517 N -0.50 0.78 -0.29 2.65 6.09 -1.66 0.19 117.51 124.77 1n4m h ILE 517 Ca 0.06 -0.10 -0.09 0.00 -1.37 0.00 0.00 64.86 63.36 1n4m h ILE 517 Cb 0.58 0.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.33 1n4m h ILE 517 CO -0.27 0.05 -0.18 -0.07 -3.07 0.00 0.00 178.15 174.61 1n4m h LEU 518 N 0.29 0.66 -1.34 2.19 3.38 -1.42 -2.70 115.31 116.36 1n4m h LEU 518 Ca 0.34 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 57.97 1n4m h LEU 518 Cb 0.91 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1n4m h LEU 518 CO -0.08 0.95 0.52 -1.13 0.09 0.00 0.00 178.44 178.78 1n4m h ASN 519 N 0.37 0.67 -0.05 -0.43 -1.24 0.34 -1.92 115.58 113.33 1n4m h ASN 519 Ca 0.06 0.01 -0.17 0.00 0.71 0.00 0.00 56.30 56.92 1n4m h ASN 519 Cb 0.72 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.64 1n4m h ASN 519 CO 0.05 0.40 -0.54 0.58 -1.29 0.00 0.00 177.43 176.63 1n4m h VAL 520 N 0.74 1.31 -0.63 2.57 2.07 -0.79 -3.22 116.25 118.30 1n4m h VAL 520 Ca 0.36 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1n4m h VAL 520 Cb 0.41 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1n4m h VAL 520 CO -0.14 0.56 0.00 0.18 0.02 0.00 0.00 177.57 178.19 1n4m n LEU 521 N -3.97 5.16 -4.32 2.57 4.32 -1.03 -4.87 117.00 114.86 1n4m n LEU 521 Ca -0.03 -2.61 -0.35 0.00 -0.02 0.00 0.00 56.01 52.99 1n4m n LEU 521 Cb 0.61 -0.62 -0.06 0.00 -1.62 0.00 0.00 43.42 41.72 1n4m n LEU 521 CO 0.48 0.75 -0.23 -3.20 -1.22 0.00 0.00 177.39 173.96 1n4m n ASN 522 N 0.97 -1.17 -4.50 -1.43 5.15 -0.79 -4.91 115.26 108.59 1n4m n ASN 522 Ca 0.27 -1.17 -0.33 0.00 -0.60 0.00 0.00 54.58 52.75 1n4m n ASN 522 Cb 1.01 -2.08 -0.12 0.00 -0.53 0.00 0.00 39.78 38.06 1n4m n ASN 522 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1n4m s LEU 523 N -7.25 3.02 0.33 1.20 2.96 -0.81 -5.06 118.68 113.07 1n4m s LEU 523 Ca 0.46 -0.14 -0.26 0.00 -0.22 0.00 0.00 54.13 53.96 1n4m s LEU 523 Cb -0.26 -1.68 -0.10 0.00 0.50 0.00 0.00 46.19 44.66 1n4m s LEU 523 CO 0.98 0.27 0.96 -0.54 -1.32 0.00 0.00 176.35 176.70 1n4m s LYS 524 N -0.23 4.52 0.26 1.98 -0.14 -1.26 -4.57 119.74 120.30 1n4m s LYS 524 Ca 0.03 1.37 -0.02 0.00 -1.36 0.00 0.00 55.97 55.98 1n4m s LYS 524 Cb -0.13 -2.77 0.45 0.00 -1.68 0.00 0.00 37.83 33.70 1n4m s LYS 524 CO 0.03 0.21 1.82 0.00 -0.76 0.00 0.00 175.35 176.65 1n4m h ALA 525 N 3.08 1.29 -0.44 5.17 0.00 -1.96 -1.52 119.26 124.89 1n4m h ALA 525 Ca -0.47 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1n4m h ALA 525 Cb 1.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1n4m h ALA 525 CO 0.65 0.15 0.10 0.35 0.00 0.00 0.00 179.25 180.50 1n4m h PHE 526 N 0.87 0.66 0.02 0.00 3.57 -1.89 -0.44 116.94 119.73 1n4m h PHE 526 Ca 0.43 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1n4m h PHE 526 Cb 0.39 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1n4m h PHE 526 CO -0.04 0.57 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.16 1n4m h ASP 527 N 0.64 -0.02 -0.53 0.41 3.32 -1.73 -3.24 116.42 115.27 1n4m h ASP 527 Ca 0.15 -0.46 0.10 0.00 0.02 0.00 0.00 57.03 56.83 1n4m h ASP 527 Cb 0.24 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.72 1n4m h ASP 527 CO -0.00 0.46 0.06 0.15 -1.72 0.00 0.00 179.24 178.18 1n4m h PHE 528 N -0.50 0.07 -0.91 4.55 3.57 -1.11 -1.01 116.94 121.60 1n4m h PHE 528 Ca -0.00 0.04 0.22 0.00 3.53 0.00 0.00 57.97 61.75 1n4m h PHE 528 Cb 0.48 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 1n4m h PHE 528 CO 0.09 -0.07 0.61 -0.92 -2.23 0.00 0.00 178.31 175.79 1n4m h TYR 529 N 0.18 0.43 0.00 0.41 3.20 -1.12 -1.83 116.97 118.24 1n4m h TYR 529 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1n4m h TYR 529 Cb 0.40 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1n4m h TYR 529 CO -0.28 0.10 0.00 0.87 -1.64 0.00 0.00 178.16 177.21 1n4m h LYS 530 N 0.31 0.00 0.00 1.82 1.57 -1.20 -2.80 116.57 116.27 1n4m h LYS 530 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1n4m h LYS 530 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1n4m h LYS 530 CO -0.15 0.00 -0.96 1.55 -0.57 0.00 0.00 179.45 179.32 1n4m n VAL 531 N -2.64 0.00 0.16 0.50 3.14 -0.69 -4.73 118.33 114.07 1n4m n VAL 531 Ca -0.02 -0.10 -0.14 0.00 -2.96 0.00 0.00 64.34 61.12 1n4m n VAL 531 Cb 0.09 0.91 -0.08 0.00 -1.06 0.00 0.00 33.84 33.70 1n4m n VAL 531 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1n4m h ILE 532 N 0.00 0.76 -0.41 1.55 2.04 -1.57 0.24 117.51 120.12 1n4m h ILE 532 Ca 0.00 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1n4m h ILE 532 Cb 0.47 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1n4m h ILE 532 CO 0.00 0.08 0.19 -0.08 0.00 0.00 0.00 178.15 178.34 1n4m h GLU 533 N -0.56 0.59 -0.46 2.37 4.81 -1.85 -0.93 114.58 118.55 1n4m h GLU 533 Ca -0.04 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1n4m h GLU 533 Cb 0.41 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1n4m h GLU 533 CO 0.06 0.52 0.18 0.77 -0.73 0.00 0.00 179.01 179.82 1n4m h SER 534 N 0.52 0.64 -0.63 1.04 0.02 -1.85 -0.98 113.55 112.32 1n4m h SER 534 Ca 0.14 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1n4m h SER 534 Cb 0.13 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 1n4m h SER 534 CO -0.02 0.64 0.40 0.15 -1.14 0.00 0.00 176.83 176.86 1n4m h PHE 535 N 0.61 0.76 -0.35 3.45 3.04 -0.28 -0.04 116.94 124.13 1n4m h PHE 535 Ca 0.15 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 1n4m h PHE 535 Cb 0.20 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1n4m h PHE 535 CO 0.00 0.46 0.13 0.82 -2.02 0.00 0.00 178.31 177.70 1n4m h ILE 536 N 0.81 1.19 0.00 1.41 2.04 -0.82 -2.11 117.51 120.02 1n4m h ILE 536 Ca 0.24 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1n4m h ILE 536 Cb -0.04 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1n4m h ILE 536 CO -0.08 0.21 0.00 0.11 0.00 0.00 0.00 178.15 178.40 1n4m h LYS 537 N 0.41 0.00 0.00 2.37 1.57 -0.75 -3.11 116.57 117.05 1n4m h LYS 537 Ca 0.11 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1n4m h LYS 537 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1n4m h LYS 537 CO -0.01 0.00 -1.38 0.00 -0.57 0.00 0.00 179.45 177.49 1n4m n ALA 538 N -1.83 2.39 -3.80 3.86 0.00 -0.07 -4.65 120.51 116.42 1n4m n ALA 538 Ca 0.02 -0.42 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 1n4m n ALA 538 Cb 0.23 -0.95 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 1n4m n ALA 538 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1n4m s GLU 539 N -3.25 2.36 0.00 0.00 2.56 -0.85 -4.81 118.70 114.71 1n4m s GLU 539 Ca -0.03 -2.55 0.08 0.00 0.00 0.00 0.00 54.97 52.46 1n4m s GLU 539 Cb 0.10 -3.59 0.46 0.00 2.00 0.00 0.00 34.13 33.10 1n4m s GLU 539 CO 0.82 -1.15 1.03 0.41 -0.56 0.00 0.00 175.26 175.81 1n4m n GLY 540 N 3.38 -0.67 0.72 -1.50 0.00 -1.26 -2.88 105.19 102.98 1n4m n GLY 540 Ca 0.07 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1n4m n GLY 540 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n4m n ASN 541 N -0.68 3.27 -4.74 1.61 3.02 -1.26 -5.00 115.26 111.48 1n4m n ASN 541 Ca 0.06 -2.38 -0.41 0.00 -0.03 0.00 0.00 54.58 51.82 1n4m n ASN 541 Cb 0.03 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 1n4m n ASN 541 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n4m s LEU 542 N -1.68 4.42 0.69 3.41 1.43 -1.14 -4.21 118.68 121.60 1n4m s LEU 542 Ca 0.30 2.48 -0.15 0.00 -1.03 0.00 0.00 54.13 55.74 1n4m s LEU 542 Cb 0.20 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.82 1n4m s LEU 542 CO 0.13 -0.54 1.14 0.42 0.23 0.00 0.00 176.35 177.73 1n4m s THR 543 N -0.16 2.96 0.46 5.49 -4.23 -1.26 -4.74 115.64 114.16 1n4m s THR 543 Ca 0.55 0.45 0.13 0.00 -1.18 0.00 0.00 61.69 61.64 1n4m s THR 543 Cb -0.38 -2.97 0.29 0.00 1.34 0.00 0.00 72.50 70.79 1n4m s THR 543 CO 0.41 -0.28 2.07 -0.09 -0.54 0.00 0.00 174.62 176.20 1n4m h ARG 544 N -0.12 0.28 -0.12 3.99 2.43 -1.98 0.35 114.38 119.21 1n4m h ARG 544 Ca -0.47 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.60 1n4m h ARG 544 Cb 1.26 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1n4m h ARG 544 CO 0.52 0.19 -0.32 0.93 -1.51 0.00 0.00 179.97 179.79 1n4m h GLU 545 N 0.29 0.23 0.17 0.20 3.07 -2.00 -1.24 114.58 115.31 1n4m h GLU 545 Ca 0.13 -0.09 -0.31 0.00 -0.50 0.00 0.00 59.36 58.60 1n4m h GLU 545 Cb 0.16 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1n4m h GLU 545 CO -0.03 0.53 -1.41 0.52 -1.40 0.00 0.00 179.01 177.22 1n4m h MET 546 N 0.20 0.37 -0.57 2.33 2.86 -0.84 -2.92 114.93 116.36 1n4m h MET 546 Ca 0.03 -0.62 0.01 0.00 -2.06 0.00 0.00 59.70 57.06 1n4m h MET 546 Cb 0.67 0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 1n4m h MET 546 CO 0.05 1.28 0.37 0.82 1.06 0.00 0.00 176.91 180.49 1n4m h ILE 547 N 0.10 1.11 -0.36 -1.22 2.04 -0.35 -1.43 117.51 117.41 1n4m h ILE 547 Ca -0.21 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1n4m h ILE 547 Cb 2.06 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1n4m h ILE 547 CO 0.22 0.13 0.10 0.11 0.00 0.00 0.00 178.15 178.71 1n4m h LYS 548 N 0.74 0.57 -0.72 2.37 1.79 -1.29 -1.58 116.57 118.45 1n4m h LYS 548 Ca 0.22 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1n4m h LYS 548 Cb -0.04 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.49 1n4m h LYS 548 CO -0.07 0.60 0.47 1.25 -1.08 0.00 0.00 179.45 180.63 1n4m h HIS 549 N 0.43 0.92 -0.61 -1.35 2.76 -1.30 0.26 115.15 116.25 1n4m h HIS 549 Ca 0.11 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1n4m h HIS 549 Cb 0.28 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 1n4m h HIS 549 CO 0.01 0.58 0.10 -0.07 -1.30 0.00 0.00 177.93 177.25 1n4m h LEU 550 N 0.98 0.95 -0.57 0.26 3.38 -1.12 0.22 115.31 119.42 1n4m h LEU 550 Ca 0.26 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1n4m h LEU 550 Cb -0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1n4m h LEU 550 CO -0.06 0.95 0.00 -0.33 0.09 0.00 0.00 178.44 179.10 1n4m h GLU 551 N 0.94 1.00 -0.40 1.13 5.08 -0.63 -2.13 114.58 119.57 1n4m h GLU 551 Ca 0.19 -0.32 -0.13 0.00 -1.00 0.00 0.00 59.36 58.11 1n4m h GLU 551 Cb 0.41 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1n4m h GLU 551 CO 0.01 1.00 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.67 1n4m h ARG 552 N 0.89 0.82 -0.45 2.33 9.65 -0.09 -1.30 114.38 126.23 1n4m h ARG 552 Ca 0.16 -0.36 0.06 0.00 -1.10 0.00 0.00 59.98 58.75 1n4m h ARG 552 Cb 0.54 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.04 1n4m h ARG 552 CO 0.03 0.99 0.14 0.00 2.80 0.00 0.00 179.97 183.92 1n4m h GLU 554 N 0.30 0.53 -0.41 0.00 4.81 -1.04 -2.06 114.58 116.71 1n4m h GLU 554 Ca 0.22 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1n4m h GLU 554 Cb 0.23 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1n4m h GLU 554 CO -0.24 0.54 -0.06 0.45 -0.73 0.00 0.00 179.01 178.97 1n4m h HIS 555 N 0.52 0.85 -0.97 0.92 3.86 0.17 -2.02 115.15 118.47 1n4m h HIS 555 Ca 0.11 -0.17 0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1n4m h HIS 555 Cb 0.29 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.49 1n4m h HIS 555 CO 0.01 0.86 0.63 0.00 0.86 0.00 0.00 177.93 180.30 1n4m h ARG 556 N 0.58 1.15 0.30 2.45 3.08 -0.50 -0.31 114.38 121.13 1n4m h ARG 556 Ca 0.11 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1n4m h ARG 556 Cb 0.57 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1n4m h ARG 556 CO 0.03 0.76 -0.14 0.82 -1.07 0.00 0.00 179.97 180.37 1n4m h ILE 557 N 1.18 0.72 -0.54 2.04 2.04 -1.21 -2.27 117.51 119.48 1n4m h ILE 557 Ca 0.40 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 66.23 1n4m h ILE 557 Cb 0.08 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1n4m h ILE 557 CO -0.14 0.02 0.36 0.24 0.00 0.00 0.00 178.15 178.63 1n4m h MET 558 N -0.45 0.46 0.00 2.37 2.86 -0.69 0.86 114.93 120.35 1n4m h MET 558 Ca -0.04 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1n4m h MET 558 Cb 0.34 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1n4m h MET 558 CO 0.07 0.31 -0.76 1.05 1.06 0.00 0.00 176.91 178.64 1n4m h GLU 559 N 0.48 0.00 0.00 1.72 4.11 -0.91 -3.44 114.58 116.54 1n4m h GLU 559 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.67 1n4m h GLU 559 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1n4m h GLU 559 CO -0.06 0.22 0.00 -1.13 0.07 0.00 0.00 179.01 178.10 1n4m n SER 560 N -2.98 0.00 -0.35 3.06 3.41 -0.87 0.35 113.62 116.24 1n4m n SER 560 Ca -0.01 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.74 1n4m n SER 560 Cb 0.67 0.30 0.34 0.00 -0.26 0.00 0.00 64.21 65.26 1n4m n SER 560 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1n4m h LEU 561 N 0.00 0.76 -0.19 1.04 3.38 -1.32 0.29 115.31 119.27 1n4m h LEU 561 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n4m h LEU 561 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1n4m h LEU 561 CO 0.00 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.76 1n4m n ALA 562 N -2.32 2.01 -0.10 1.53 0.00 0.27 -3.13 120.51 118.76 1n4m n ALA 562 Ca 0.24 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.76 1n4m n ALA 562 Cb 0.62 -1.40 0.24 0.00 0.00 0.00 0.00 19.45 18.90 1n4m n ALA 562 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1n4m n TRP 563 N -1.92 0.67 -2.13 0.00 7.02 0.08 -4.62 117.44 116.54 1n4m n TRP 563 Ca 0.05 -0.40 -0.34 0.00 -1.02 0.00 0.00 57.50 55.78 1n4m n TRP 563 Cb 0.30 -0.01 0.01 0.00 -2.42 0.00 0.00 31.31 29.20 1n4m n TRP 563 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1n4m s LEU 564 N -1.12 3.64 0.59 -0.99 1.43 -1.17 -0.86 118.68 120.20 1n4m s LEU 564 Ca 0.38 2.09 0.29 0.00 -1.03 0.00 0.00 54.13 55.85 1n4m s LEU 564 Cb 0.21 -4.57 1.48 0.00 0.03 0.00 0.00 46.19 43.33 1n4m s LEU 564 CO 0.27 -1.30 1.89 0.28 0.23 0.00 0.00 176.35 177.72 1n4m h SER 565 N 0.85 0.00 -0.27 2.29 0.02 -1.93 0.19 113.55 114.71 1n4m h SER 565 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1n4m h SER 565 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1n4m h SER 565 CO 0.56 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.35 1n4m n ASP 566 N -3.67 2.21 -4.66 3.07 3.85 -1.26 -4.89 116.55 111.20 1n4m n ASP 566 Ca 0.08 -2.17 -0.39 0.00 -0.71 0.00 0.00 54.79 51.60 1n4m n ASP 566 Cb 0.66 -0.37 -0.07 0.00 -1.35 0.00 0.00 41.12 39.99 1n4m n ASP 566 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1n4m s SER 567 N -0.69 6.49 0.32 -1.12 0.15 0.68 -4.93 113.70 114.60 1n4m s SER 567 Ca 0.21 0.59 0.18 0.00 0.70 0.00 0.00 55.95 57.63 1n4m s SER 567 Cb 0.13 -2.26 0.99 0.00 -1.71 0.00 0.00 66.02 63.17 1n4m s SER 567 CO 0.10 -0.14 1.52 -0.81 1.20 0.00 0.00 173.24 175.11 1n4m n PRO 568 N 4.70 0.12 -0.29 5.44 -0.04 -1.26 -1.65 135.00 142.01 1n4m n PRO 568 Ca -0.06 0.61 0.04 0.00 -0.04 0.00 0.00 63.50 64.05 1n4m n PRO 568 Cb 0.51 -2.01 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 1n4m n PRO 568 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1n4m h LEU 569 N 0.00 0.65 -1.50 1.53 6.46 -1.92 0.33 115.31 120.86 1n4m h LEU 569 Ca 0.00 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1n4m h LEU 569 Cb 0.22 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1n4m h LEU 569 CO 0.00 0.35 -0.13 -0.26 -0.62 0.00 0.00 178.44 177.78 1n4m h PHE 570 N 0.76 0.17 -0.16 1.25 0.04 -1.63 0.19 116.94 117.56 1n4m h PHE 570 Ca 0.41 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.99 1n4m h PHE 570 Cb 0.43 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 1n4m h PHE 570 CO -0.07 0.30 -0.64 -0.44 -0.60 0.00 0.00 178.31 176.86 1n4m h ASP 571 N 0.16 0.66 -0.28 2.17 3.32 -1.18 -2.18 116.42 119.09 1n4m h ASP 571 Ca 0.03 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1n4m h ASP 571 Cb 0.33 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1n4m h ASP 571 CO 0.02 1.13 0.02 0.25 -1.72 0.00 0.00 179.24 178.94 1n4m h LEU 572 N 0.42 0.46 0.82 1.55 5.85 0.01 -1.51 115.31 122.90 1n4m h LEU 572 Ca -0.01 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1n4m h LEU 572 Cb 1.21 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1n4m h LEU 572 CO 0.12 0.63 -0.45 0.40 -0.34 0.00 0.00 178.44 178.80 1n4m h ILE 573 N 0.28 0.08 -0.56 4.05 2.04 -0.67 -1.23 117.51 121.50 1n4m h ILE 573 Ca 0.08 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.08 1n4m h ILE 573 Cb 0.38 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1n4m h ILE 573 CO 0.01 0.00 0.39 0.11 0.00 0.00 0.00 178.15 178.66 1n4m h LYS 574 N -1.18 0.13 -0.29 2.37 1.79 -1.41 0.25 116.57 118.24 1n4m h LYS 574 Ca -0.11 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.30 1n4m h LYS 574 Cb 0.93 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.54 1n4m h LYS 574 CO 0.14 0.09 -0.04 0.37 -1.08 0.00 0.00 179.45 178.93 1n4m h GLN 575 N 0.13 0.53 -0.02 3.15 4.15 -0.89 -2.11 115.11 120.06 1n4m h GLN 575 Ca 0.27 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1n4m h GLN 575 Cb 0.87 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 1n4m h GLN 575 CO -0.03 0.71 0.00 0.77 -1.93 0.00 0.00 178.83 178.35 1n4m h SER 576 N 0.30 0.03 -0.46 -0.69 0.02 0.58 0.30 113.55 113.63 1n4m h SER 576 Ca 0.08 -0.30 0.13 0.00 -0.84 0.00 0.00 61.79 60.86 1n4m h SER 576 Cb 0.50 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1n4m h SER 576 CO 0.02 0.32 0.34 0.11 -1.14 0.00 0.00 176.83 176.48 1n4m h LYS 577 N -0.26 0.00 0.00 3.45 1.79 -0.88 -3.33 116.57 117.35 1n4m h LYS 577 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1n4m h LYS 577 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1n4m h LYS 577 CO 0.00 0.00 0.00 2.41 -1.08 0.00 0.00 179.45 180.78 1n4m n THR 578 N -4.36 0.00 -2.96 -0.16 -1.04 -0.79 -4.89 114.28 100.07 1n4m n THR 578 Ca 0.08 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.66 1n4m n THR 578 Cb 0.55 -0.11 -0.05 0.00 -1.82 0.00 0.00 70.33 68.89 1n4m n THR 578 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n4m s ARG 579 N 0.09 3.33 1.06 -2.82 1.04 0.10 -5.05 118.95 116.71 1n4m s ARG 579 Ca 0.00 -0.29 -0.19 0.00 -1.04 0.00 0.00 55.73 54.21 1n4m s ARG 579 Cb 0.00 -4.00 0.02 0.00 -2.04 0.00 0.00 34.95 28.93 1n4m s ARG 579 CO 0.00 -1.24 -0.27 -0.85 -0.04 0.00 0.00 175.30 172.89 1n4m n GLU 580 N 6.84 -0.93 -0.50 3.89 0.28 -1.25 -4.40 120.64 124.57 1n4m n GLU 580 Ca 0.01 -0.25 0.06 0.00 -0.16 0.00 0.00 57.16 56.82 1n4m n GLU 580 Cb 0.47 -1.54 -0.03 0.00 1.43 0.00 0.00 31.44 31.77 1n4m n GLU 580 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1n4m n GLY 581 N 2.31 -2.38 0.15 -1.84 0.00 -1.26 -5.04 105.19 97.14 1n4m n GLY 581 Ca 0.01 -1.35 0.02 0.00 0.00 0.00 0.00 46.02 44.71 1n4m n GLY 581 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n4m n LYS 643 N -3.05 -0.31 -2.97 1.61 4.81 -1.26 -4.90 118.16 112.08 1n4m n LYS 643 Ca -0.02 0.21 -0.06 0.00 -0.87 0.00 0.00 58.31 57.57 1n4m n LYS 643 Cb 0.24 -0.38 0.01 0.00 0.02 0.00 0.00 35.03 34.91 1n4m n LYS 643 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1n4m n SER 644 N -1.40 -7.32 0.08 3.14 2.88 -1.26 -4.90 113.62 104.85 1n4m n SER 644 Ca 0.00 0.81 -0.10 0.00 -1.33 0.00 0.00 58.87 58.25 1n4m n SER 644 Cb 0.07 -3.85 -0.04 0.00 -0.75 0.00 0.00 64.21 59.64 1n4m n SER 644 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1n4m h THR 645 N 2.93 1.50 -0.02 2.46 2.02 -1.99 -3.16 112.91 116.65 1n4m h THR 645 Ca -0.07 -2.72 -0.01 0.00 0.77 0.00 0.00 66.41 64.38 1n4m h THR 645 Cb 0.62 2.56 -0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1n4m h THR 645 CO 0.10 0.79 -0.05 0.77 0.37 0.00 0.00 175.52 177.50 1n4m h SER 646 N 0.11 0.02 0.07 4.18 4.64 -1.98 0.29 113.55 120.89 1n4m h SER 646 Ca -0.06 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 1n4m h SER 646 Cb 1.60 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.70 1n4m h SER 646 CO 0.15 0.08 -0.52 0.25 -0.87 0.00 0.00 176.83 175.92 1n4m h LEU 647 N 0.03 0.33 -0.88 5.97 5.85 -1.92 -1.30 115.31 123.39 1n4m h LEU 647 Ca 0.01 -0.92 0.05 0.00 0.84 0.00 0.00 57.88 57.86 1n4m h LEU 647 Cb 0.12 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1n4m h LEU 647 CO 0.01 1.22 0.56 0.28 -0.34 0.00 0.00 178.44 180.17 1n4m h SER 648 N -0.50 0.91 -0.29 1.25 0.02 -1.41 -0.75 113.55 112.78 1n4m h SER 648 Ca -0.09 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.71 1n4m h SER 648 Cb 1.37 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1n4m h SER 648 CO 0.10 0.60 -0.44 0.25 -1.14 0.00 0.00 176.83 176.20 1n4m h LEU 649 N 1.05 0.92 0.16 5.07 5.85 -0.50 -2.56 115.31 125.30 1n4m h LEU 649 Ca 0.37 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1n4m h LEU 649 Cb 0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1n4m h LEU 649 CO -0.15 1.22 -0.24 0.15 -0.34 0.00 0.00 178.44 179.09 1n4m h PHE 650 N 0.69 -0.63 -0.58 1.25 3.57 -0.28 -2.64 116.94 118.32 1n4m h PHE 650 Ca 0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1n4m h PHE 650 Cb 1.02 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 1n4m h PHE 650 CO 0.06 -0.34 0.32 1.88 -2.23 0.00 0.00 178.31 178.00 1n4m h TYR 651 N -0.46 0.77 -0.48 0.41 0.05 -1.18 -0.67 116.97 115.40 1n4m h TYR 651 Ca 0.02 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.81 1n4m h TYR 651 Cb 0.46 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 1n4m h TYR 651 CO -0.20 0.54 0.29 -0.22 -1.05 0.00 0.00 178.16 177.51 1n4m h LYS 652 N 0.80 0.56 0.00 4.88 3.64 -1.21 0.68 116.57 125.92 1n4m h LYS 652 Ca 0.21 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.44 1n4m h LYS 652 Cb 0.02 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1n4m h LYS 652 CO -0.03 0.37 -0.54 0.87 -2.27 0.00 0.00 179.45 177.85 1n4m h LYS 653 N 0.57 0.00 0.02 1.90 1.57 -1.05 -2.32 116.57 117.27 1n4m h LYS 653 Ca 0.19 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1n4m h LYS 653 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1n4m h LYS 653 CO -0.09 0.54 -0.01 0.28 -0.57 0.00 0.00 179.45 179.60 1n4m h VAL 654 N 0.00 1.35 -0.30 0.50 2.07 -0.48 -1.83 116.25 117.56 1n4m h VAL 654 Ca -0.01 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.35 1n4m h VAL 654 Cb 1.08 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 1n4m h VAL 654 CO 0.07 0.31 0.07 1.88 0.02 0.00 0.00 177.57 179.92 1n4m h TYR 655 N -0.56 0.13 -0.18 1.57 0.05 -0.90 1.05 116.97 118.12 1n4m h TYR 655 Ca -0.00 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.82 1n4m h TYR 655 Cb 0.53 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 1n4m h TYR 655 CO 0.10 0.04 0.01 -0.09 -1.05 0.00 0.00 178.16 177.18 1n4m h ARG 656 N 0.19 0.08 -0.20 4.88 9.65 -1.45 0.28 114.38 127.81 1n4m h ARG 656 Ca 0.14 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1n4m h ARG 656 Cb 0.13 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1n4m h ARG 656 CO -0.17 0.05 0.06 1.25 2.80 0.00 0.00 179.97 183.96 1n4m h LEU 657 N 0.08 0.29 0.00 3.80 6.46 -0.86 -1.56 115.31 123.52 1n4m h LEU 657 Ca 0.09 -0.21 0.03 0.00 -0.12 0.00 0.00 57.88 57.67 1n4m h LEU 657 Cb 0.10 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 39.89 1n4m h LEU 657 CO -0.13 0.42 -0.42 0.00 -0.62 0.00 0.00 178.44 177.69 1n4m h ALA 658 N 0.88 -0.68 -0.05 1.25 0.00 0.15 -1.38 119.26 119.44 1n4m h ALA 658 Ca 0.06 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1n4m h ALA 658 Cb 0.24 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1n4m h ALA 658 CO -0.00 -0.96 -0.11 -0.92 0.00 0.00 0.00 179.25 177.26 1n4m h TYR 659 N -0.58 -0.28 -0.52 0.00 3.20 -0.41 -0.22 116.97 118.17 1n4m h TYR 659 Ca 0.05 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.03 1n4m h TYR 659 Cb 0.66 0.13 -0.10 0.00 1.54 0.00 0.00 36.73 38.95 1n4m h TYR 659 CO -0.43 -0.17 -0.22 -0.07 -1.64 0.00 0.00 178.16 175.64 1n4m h LEU 660 N -0.16 -0.78 -0.12 2.82 3.38 -0.83 0.72 115.31 120.34 1n4m h LEU 660 Ca 0.06 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1n4m h LEU 660 Cb 0.24 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1n4m h LEU 660 CO -0.15 -0.25 0.06 0.03 0.09 0.00 0.00 178.44 178.23 1n4m h ARG 661 N -0.10 0.17 -0.19 1.13 3.08 -1.00 -1.91 114.38 115.55 1n4m h ARG 661 Ca 0.24 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.32 1n4m h ARG 661 Cb 0.48 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1n4m h ARG 661 CO -0.58 0.21 -0.21 1.25 -1.07 0.00 0.00 179.97 179.56 1n4m h LEU 662 N 0.08 -0.68 -1.49 3.04 6.46 0.55 -1.72 115.31 121.55 1n4m h LEU 662 Ca 0.04 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 58.00 1n4m h LEU 662 Cb 0.10 0.32 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1n4m h LEU 662 CO -0.01 -0.26 0.43 -1.13 -0.62 0.00 0.00 178.44 176.86 1n4m h ASN 663 N -0.24 0.54 -0.40 1.25 -0.73 0.56 -1.52 115.58 115.04 1n4m h ASN 663 Ca 0.12 0.01 -0.05 0.00 1.87 0.00 0.00 56.30 58.25 1n4m h ASN 663 Cb 0.42 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.89 1n4m h ASN 663 CO -0.33 0.34 0.06 0.74 -0.37 0.00 0.00 177.43 177.87 1n4m h THR 664 N 0.61 1.24 -0.01 -3.57 2.02 -0.51 -1.55 112.91 111.13 1n4m h THR 664 Ca 0.29 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 1n4m h THR 664 Cb 0.35 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1n4m h THR 664 CO -0.09 0.30 -0.32 -0.07 0.37 0.00 0.00 175.52 175.70 1n4m h LEU 665 N 0.51 0.02 -0.01 2.58 3.38 -0.73 -2.94 115.31 118.11 1n4m h LEU 665 Ca 0.12 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.82 1n4m h LEU 665 Cb 0.38 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.14 1n4m h LEU 665 CO 0.01 0.35 -1.02 0.00 0.09 0.00 0.00 178.44 177.87 1n4m h GLU 667 N 0.40 0.00 0.02 0.00 4.39 -1.19 0.87 114.58 119.07 1n4m h GLU 667 Ca -0.12 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.40 1n4m h GLU 667 Cb 1.67 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.30 1n4m h GLU 667 CO 0.20 0.01 -0.97 -0.09 -1.16 0.00 0.00 179.01 177.00 1n4m h ARG 668 N 0.00 0.05 0.00 2.33 2.43 -1.47 -3.40 114.38 114.33 1n4m h ARG 668 Ca -0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1n4m h ARG 668 Cb 0.02 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1n4m h ARG 668 CO 0.00 1.04 -1.38 1.28 -1.51 0.00 0.00 179.97 179.40 1n4m n LEU 669 N -4.37 0.47 -2.48 3.80 4.32 -0.30 -4.61 117.00 113.82 1n4m n LEU 669 Ca -0.25 0.03 -0.18 0.00 -0.02 0.00 0.00 56.01 55.59 1n4m n LEU 669 Cb 0.67 -0.05 0.02 0.00 -1.62 0.00 0.00 43.42 42.45 1n4m n LEU 669 CO 0.27 -0.01 0.08 0.18 -1.22 0.00 0.00 177.39 176.69 1n4m n LEU 670 N -2.20 3.45 -0.05 2.23 4.77 0.30 -4.77 117.00 120.73 1n4m n LEU 670 Ca -0.01 -4.42 -0.10 0.00 -0.03 0.00 0.00 56.01 51.46 1n4m n LEU 670 Cb 0.50 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1n4m n LEU 670 CO 0.43 1.86 0.58 0.28 -1.33 0.00 0.00 177.39 179.21 1n4m h SER 671 N 2.61 0.76 0.11 -1.43 0.02 -1.76 -2.93 113.55 110.94 1n4m h SER 671 Ca 0.15 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1n4m h SER 671 Cb 1.16 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1n4m h SER 671 CO 0.65 1.07 -0.12 -0.33 -1.14 0.00 0.00 176.83 176.95 1n4m h GLU 672 N 0.59 0.03 -3.15 3.45 5.08 -1.92 -3.36 114.58 115.30 1n4m h GLU 672 Ca 0.05 -0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.78 1n4m h GLU 672 Cb 0.93 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 29.77 1n4m h GLU 672 CO 0.09 0.15 -0.69 -1.01 -1.00 0.00 0.00 179.01 176.54 1n4m s HIS 673 N -4.78 2.48 0.04 4.33 3.76 -1.11 -4.96 115.29 115.05 1n4m s HIS 673 Ca -0.04 -2.73 0.22 0.00 -0.15 0.00 0.00 55.06 52.35 1n4m s HIS 673 Cb 0.16 -2.27 0.69 0.00 1.11 0.00 0.00 32.58 32.27 1n4m s HIS 673 CO 0.69 -0.76 1.73 -1.35 -0.85 0.00 0.00 174.74 174.20 1n4m h PRO 674 N 6.63 0.00 0.00 8.40 0.11 -1.72 -3.13 132.00 142.28 1n4m h PRO 674 Ca -0.04 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 1n4m h PRO 674 Cb 0.91 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1n4m h PRO 674 CO 0.57 0.28 -0.23 1.05 -0.21 0.00 0.00 178.00 179.46 1n4m h GLU 675 N 0.00 0.00 0.00 1.05 9.09 -1.93 -3.42 114.58 119.37 1n4m h GLU 675 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1n4m h GLU 675 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 1n4m h GLU 675 CO 0.04 0.23 0.00 1.28 0.05 0.00 0.00 179.01 180.60 1n4m n LEU 676 N -3.95 0.00 0.00 3.06 4.77 -1.18 -3.80 117.00 115.90 1n4m n LEU 676 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1n4m n LEU 676 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1n4m n LEU 676 CO 0.35 -0.43 0.00 1.21 -1.33 0.00 0.00 177.39 177.19 1n4m n GLU 677 N -0.25 0.00 -0.13 3.23 2.13 -1.26 -3.94 120.64 120.42 1n4m n GLU 677 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1n4m n GLU 677 Cb 0.00 0.00 0.22 0.00 0.27 0.00 0.00 31.44 31.93 1n4m n GLU 677 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1n4m h HIS 678 N 0.00 0.84 -0.09 4.31 2.76 -1.82 3.75 115.15 124.90 1n4m h HIS 678 Ca 0.00 -0.05 -0.15 0.00 -2.20 0.00 0.00 60.37 57.97 1n4m h HIS 678 Cb 0.00 -0.25 0.01 0.00 1.55 0.00 0.00 27.41 28.71 1n4m h HIS 678 CO 0.00 0.66 -0.51 0.82 -1.30 0.00 0.00 177.93 177.60 1n4m h ILE 679 N 0.81 1.37 -0.71 6.26 2.04 -1.68 -1.70 117.51 123.90 1n4m h ILE 679 Ca 0.19 -1.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.16 1n4m h ILE 679 Cb 0.19 2.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1n4m h ILE 679 CO -0.01 0.56 0.29 0.40 0.00 0.00 0.00 178.15 179.38 1n4m h ILE 680 N 0.09 1.24 -0.75 -0.67 2.04 -1.59 -2.14 117.51 115.73 1n4m h ILE 680 Ca -0.04 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1n4m h ILE 680 Cb 1.17 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1n4m h ILE 680 CO 0.11 0.30 0.38 -0.25 0.00 0.00 0.00 178.15 178.69 1n4m h TRP 681 N 1.02 1.05 -0.44 1.37 2.91 0.72 -1.64 115.95 120.93 1n4m h TRP 681 Ca 0.24 -0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.22 1n4m h TRP 681 Cb 0.18 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.48 1n4m h TRP 681 CO 0.02 0.76 0.27 1.15 -1.03 0.00 0.00 178.44 179.61 1n4m h THR 682 N 1.04 1.13 -0.26 2.65 2.02 -0.66 0.33 112.91 119.17 1n4m h THR 682 Ca 0.26 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1n4m h THR 682 Cb 0.08 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1n4m h THR 682 CO -0.04 0.13 0.02 0.25 0.37 0.00 0.00 175.52 176.26 1n4m h LEU 683 N 0.59 0.43 0.12 2.58 6.46 -1.35 0.16 115.31 124.30 1n4m h LEU 683 Ca 0.16 -0.28 0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1n4m h LEU 683 Cb -0.02 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 1n4m h LEU 683 CO -0.03 0.60 -0.21 0.15 -0.62 0.00 0.00 178.44 178.34 1n4m h PHE 684 N 0.24 -0.54 -0.63 1.25 3.57 -1.07 0.78 116.94 120.53 1n4m h PHE 684 Ca 0.08 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1n4m h PHE 684 Cb 0.37 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1n4m h PHE 684 CO 0.03 -0.30 0.30 0.37 -2.23 0.00 0.00 178.31 176.47 1n4m h GLN 685 N -0.40 0.92 -0.20 1.11 -0.00 -0.26 -2.16 115.11 114.12 1n4m h GLN 685 Ca 0.02 -0.14 -0.11 0.00 -0.00 0.00 0.00 58.65 58.43 1n4m h GLN 685 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 1n4m h GLN 685 CO -0.11 0.74 -0.33 0.45 0.00 0.00 0.00 178.83 179.58 1n4m h HIS 686 N 0.87 0.47 -0.33 3.99 3.86 -0.47 -3.04 115.15 120.50 1n4m h HIS 686 Ca 0.22 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 1n4m h HIS 686 Cb 0.13 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1n4m h HIS 686 CO 0.00 0.70 -0.13 1.15 0.86 0.00 0.00 177.93 180.51 1n4m h THR 687 N 0.35 1.29 -0.22 2.45 2.02 -0.46 0.12 112.91 118.47 1n4m h THR 687 Ca 0.04 -1.22 -0.07 0.00 0.77 0.00 0.00 66.41 65.93 1n4m h THR 687 Cb 0.76 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1n4m h THR 687 CO 0.06 0.40 -0.19 -0.07 0.37 0.00 0.00 175.52 176.09 1n4m h LEU 688 N 0.44 0.37 0.00 2.58 3.38 -1.40 0.72 115.31 121.40 1n4m h LEU 688 Ca 0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1n4m h LEU 688 Cb 0.65 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1n4m h LEU 688 CO 0.04 0.57 -0.18 -0.61 0.09 0.00 0.00 178.44 178.35 1n4m h GLN 689 N 0.34 0.00 0.00 1.13 4.15 -1.49 -3.28 115.11 115.96 1n4m h GLN 689 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1n4m h GLN 689 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1n4m h GLN 689 CO 0.03 0.96 -1.27 0.09 -1.93 0.00 0.00 178.83 176.71 1n4m n ASN 690 N -4.59 0.72 -1.86 -0.69 5.03 0.02 -4.33 115.26 109.56 1n4m n ASN 690 Ca -0.13 -0.67 -0.13 0.00 0.87 0.00 0.00 54.58 54.53 1n4m n ASN 690 Cb 0.49 1.30 0.06 0.00 -1.02 0.00 0.00 39.78 40.61 1n4m n ASN 690 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1n4m n GLU 691 N -1.72 2.74 0.31 3.52 -0.58 0.25 -4.86 120.64 120.29 1n4m n GLU 691 Ca 0.01 -3.78 0.19 0.00 -0.42 0.00 0.00 57.16 53.16 1n4m n GLU 691 Cb 0.39 -1.93 1.03 0.00 -0.57 0.00 0.00 31.44 30.37 1n4m n GLU 691 CO 0.00 0.00 0.00 0.10 -0.48 0.00 0.00 177.13 176.75 1n4m h TYR 692 N 1.96 0.00 0.00 -0.32 -0.00 -1.50 -1.32 116.97 115.80 1n4m h TYR 692 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.91 1n4m h TYR 692 Cb 1.41 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.14 1n4m h TYR 692 CO 0.74 0.00 -0.03 0.93 -0.00 0.00 0.00 178.16 179.80 1n4m h GLU 693 N 0.00 0.00 0.00 0.10 4.39 -1.89 0.19 114.58 117.37 1n4m h GLU 693 Ca 0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1n4m h GLU 693 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1n4m h GLU 693 CO -0.00 0.03 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.65 1n4m h LEU 694 N 0.00 0.00 0.00 1.33 4.07 -1.58 -2.27 115.31 116.86 1n4m h LEU 694 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1n4m h LEU 694 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1n4m h LEU 694 CO 0.00 0.16 -0.17 0.24 -1.08 0.00 0.00 178.44 177.60 1n4m h MET 695 N 0.00 0.00 -6.11 1.13 2.86 -0.79 -3.42 114.93 108.60 1n4m h MET 695 Ca -0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 1n4m h MET 695 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1n4m h MET 695 CO 0.02 0.00 1.33 -2.13 1.06 0.00 0.00 176.91 177.19 1n4m n ARG 696 N -2.73 1.90 -1.16 1.72 0.63 -0.86 -0.47 116.66 115.69 1n4m n ARG 696 Ca 0.04 0.61 -0.06 0.00 -0.92 0.00 0.00 57.85 57.52 1n4m n ARG 696 Cb 0.50 -2.84 -0.02 0.00 0.45 0.00 0.00 32.46 30.54 1n4m n ARG 696 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1n4m n ASP 697 N 9.27 -4.61 -3.57 6.15 8.00 -0.04 -4.94 116.55 126.81 1n4m n ASP 697 Ca 0.29 0.14 -0.19 0.00 0.71 0.00 0.00 54.79 55.75 1n4m n ASP 697 Cb 0.34 -2.60 -0.03 0.00 -0.02 0.00 0.00 41.12 38.81 1n4m n ASP 697 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n4m n ARG 698 N -1.59 1.25 -4.67 -1.24 1.74 0.38 -4.75 116.66 107.78 1n4m n ARG 698 Ca -0.06 -2.14 -0.34 0.00 -0.77 0.00 0.00 57.85 54.55 1n4m n ARG 698 Cb 0.34 0.53 -0.12 0.00 -1.02 0.00 0.00 32.46 32.19 1n4m n ARG 698 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1n4m s HIS 699 N -2.01 2.89 0.25 -1.55 2.46 -1.26 -4.60 115.29 111.47 1n4m s HIS 699 Ca 0.02 -0.13 -0.08 0.00 0.47 0.00 0.00 55.06 55.35 1n4m s HIS 699 Cb -0.00 -1.74 0.43 0.00 -0.13 0.00 0.00 32.58 31.14 1n4m s HIS 699 CO 0.01 0.20 1.62 1.25 -2.47 0.00 0.00 174.74 175.34 1n4m h LEU 700 N 5.62 -0.50 -1.95 8.88 6.46 -0.39 0.28 115.31 133.71 1n4m h LEU 700 Ca -0.43 0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1n4m h LEU 700 Cb 1.18 0.41 -0.00 0.00 -0.73 0.00 0.00 40.66 41.51 1n4m h LEU 700 CO 0.54 -0.23 -0.11 0.44 -0.62 0.00 0.00 178.44 178.46 1n4m h ASP 701 N 0.06 0.00 -0.24 1.25 3.32 -1.95 -1.69 116.42 117.17 1n4m h ASP 701 Ca 0.42 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.27 1n4m h ASP 701 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1n4m h ASP 701 CO -0.74 0.11 -0.62 1.56 -1.72 0.00 0.00 179.24 177.83 1n4m h GLN 702 N 0.00 0.84 -0.19 3.56 4.20 -0.74 -0.44 115.11 122.35 1n4m h GLN 702 Ca -0.00 -0.59 -0.11 0.00 0.06 0.00 0.00 58.65 58.01 1n4m h GLN 702 Cb 0.29 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1n4m h GLN 702 CO 0.01 1.21 -0.37 0.82 -0.67 0.00 0.00 178.83 179.83 1n4m h ILE 703 N 0.61 1.30 0.09 2.54 1.08 -1.26 -1.46 117.51 120.41 1n4m h ILE 703 Ca -0.01 -1.48 -0.00 0.00 -0.39 0.00 0.00 64.86 62.97 1n4m h ILE 703 Cb 1.24 1.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 1n4m h ILE 703 CO 0.13 0.46 -0.05 -0.03 -0.69 0.00 0.00 178.15 177.98 1n4m h MET 704 N 0.35 -0.12 -0.55 2.37 1.85 -1.11 -0.65 114.93 117.06 1n4m h MET 704 Ca 0.04 0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.09 1n4m h MET 704 Cb 0.82 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.85 1n4m h MET 704 CO 0.07 0.20 0.18 0.52 -0.40 0.00 0.00 176.91 177.47 1n4m h MET 705 N -0.45 0.82 0.00 0.39 2.86 -1.04 -1.56 114.93 115.95 1n4m h MET 705 Ca -0.01 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 1n4m h MET 705 Cb 0.38 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1n4m h MET 705 CO 0.02 0.70 -0.34 0.00 1.06 0.00 0.00 176.91 178.36 1n4m h SER 707 N 0.00 0.48 -0.37 0.00 0.02 -0.33 -2.23 113.55 111.12 1n4m h SER 707 Ca -0.00 -0.62 0.01 0.00 -0.84 0.00 0.00 61.79 60.34 1n4m h SER 707 Cb 0.84 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1n4m h SER 707 CO 0.04 1.01 0.23 0.24 -1.14 0.00 0.00 176.83 177.22 1n4m h MET 708 N -0.03 0.46 0.34 3.45 2.86 -1.17 -1.72 114.93 119.11 1n4m h MET 708 Ca -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1n4m h MET 708 Cb 0.98 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1n4m h MET 708 CO 0.07 0.30 -0.16 -0.92 1.06 0.00 0.00 176.91 177.26 1n4m h TYR 709 N 0.47 -0.42 -0.43 -0.22 5.03 -1.46 -1.54 116.97 118.41 1n4m h TYR 709 Ca 0.14 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.52 1n4m h TYR 709 Cb -0.02 0.14 -0.07 0.00 1.55 0.00 0.00 36.73 38.33 1n4m h TYR 709 CO -0.06 -0.17 0.03 0.78 -1.32 0.00 0.00 178.16 177.41 1n4m h GLY 710 N -0.61 0.46 1.08 1.82 0.00 -1.33 0.49 103.07 104.98 1n4m h GLY 710 Ca -0.05 0.03 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1n4m h GLY 710 CO 0.08 -0.09 0.05 -2.22 0.00 0.00 0.00 176.54 174.36 1n4m h ILE 711 N 0.14 1.27 -0.69 2.60 1.08 -1.31 -1.76 117.51 118.84 1n4m h ILE 711 Ca 0.21 -1.10 -0.08 0.00 -0.39 0.00 0.00 64.86 63.50 1n4m h ILE 711 Cb 0.30 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 1n4m h ILE 711 CO -0.33 0.41 0.12 0.00 -0.69 0.00 0.00 178.15 177.66 1n4m h LYS 713 N 1.06 -0.16 0.00 0.00 1.79 0.50 0.42 116.57 120.18 1n4m h LYS 713 Ca 0.21 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.63 1n4m h LYS 713 Cb 0.43 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1n4m h LYS 713 CO 0.01 -0.10 -0.31 -0.39 -1.08 0.00 0.00 179.45 177.58 1n4m h VAL 714 N -0.16 0.63 -0.30 0.50 -1.51 -1.19 -2.75 116.25 111.47 1n4m h VAL 714 Ca 0.12 -1.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.08 1n4m h VAL 714 Cb 0.34 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1n4m h VAL 714 CO -0.30 0.30 0.00 0.29 -1.23 0.00 0.00 177.57 176.63 1n4m n LYS 715 N -3.32 1.73 -3.59 5.19 4.76 -0.39 -4.80 118.16 117.75 1n4m n LYS 715 Ca 0.01 -1.14 -0.21 0.00 -2.87 0.00 0.00 58.31 54.11 1n4m n LYS 715 Cb 0.55 -1.26 0.06 0.00 -1.84 0.00 0.00 35.03 32.54 1n4m n LYS 715 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1n4m n ASN 716 N 0.41 -2.59 -4.14 4.39 5.03 -0.45 -5.01 115.26 112.91 1n4m n ASN 716 Ca 0.11 -0.69 -0.32 0.00 0.87 0.00 0.00 54.58 54.54 1n4m n ASN 716 Cb 0.27 -4.62 -0.16 0.00 -1.02 0.00 0.00 39.78 34.25 1n4m n ASN 716 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1n4m s ILE 717 N -3.46 2.01 0.00 2.41 -1.09 0.01 -5.04 121.20 116.05 1n4m s ILE 717 Ca 0.14 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 1n4m s ILE 717 Cb -0.07 -1.80 0.00 0.00 -1.58 0.00 0.00 42.46 39.01 1n4m s ILE 717 CO 0.77 0.54 0.00 -0.90 -1.23 0.00 0.00 174.94 174.12 1n4m n ASP 718 N 4.30 0.00 -3.19 3.58 5.68 -1.26 -4.19 116.55 121.47 1n4m n ASP 718 Ca -0.20 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 53.88 1n4m n ASP 718 Cb 0.51 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.51 1n4m n ASP 718 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1n4m n LEU 719 N 0.00 -4.88 -4.82 -2.12 7.94 -1.26 -4.77 117.00 107.10 1n4m n LEU 719 Ca 0.00 0.28 -0.31 0.00 -1.11 0.00 0.00 56.01 54.87 1n4m n LEU 719 Cb 0.00 -2.33 0.03 0.00 0.53 0.00 0.00 43.42 41.65 1n4m n LEU 719 CO 0.00 -1.24 0.71 -0.54 -1.11 0.00 0.00 177.39 175.21 1n4m s LYS 720 N -2.23 3.13 0.40 1.96 1.02 -1.26 -4.90 119.74 117.85 1n4m s LYS 720 Ca 0.26 0.99 0.12 0.00 0.02 0.00 0.00 55.97 57.36 1n4m s LYS 720 Cb -0.04 -2.01 0.83 0.00 -0.52 0.00 0.00 37.83 36.08 1n4m s LYS 720 CO 0.72 -0.95 1.91 0.74 -0.92 0.00 0.00 175.35 176.85 1n4m h PHE 721 N -0.35 0.09 -0.84 3.18 0.04 -1.99 -1.74 116.94 115.33 1n4m h PHE 721 Ca -0.45 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 60.39 1n4m h PHE 721 Cb 1.21 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 39.27 1n4m h PHE 721 CO 0.62 0.31 0.50 -0.22 -0.60 0.00 0.00 178.31 178.92 1n4m h LYS 722 N 0.08 0.85 0.43 1.51 3.64 -1.98 0.45 116.57 121.55 1n4m h LYS 722 Ca 0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1n4m h LYS 722 Cb 0.46 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1n4m h LYS 722 CO 0.03 0.56 -0.21 0.82 -2.27 0.00 0.00 179.45 178.39 1n4m h ILE 723 N 0.87 0.00 -0.86 2.00 1.08 -1.70 -2.79 117.51 116.11 1n4m h ILE 723 Ca 0.39 -0.30 0.14 0.00 -0.39 0.00 0.00 64.86 64.71 1n4m h ILE 723 Cb 0.28 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.88 1n4m h ILE 723 CO -0.21 0.00 -0.34 0.40 -0.69 0.00 0.00 178.15 177.30 1n4m h ILE 724 N -0.87 0.07 -0.61 -0.67 2.04 -1.16 0.28 117.51 116.59 1n4m h ILE 724 Ca -0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1n4m h ILE 724 Cb 0.44 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1n4m h ILE 724 CO 0.10 0.00 0.41 0.58 0.00 0.00 0.00 178.15 179.24 1n4m h VAL 725 N -0.05 0.93 -0.22 1.67 2.07 -0.18 -0.44 116.25 120.04 1n4m h VAL 725 Ca 0.33 -0.17 -0.21 0.00 0.82 0.00 0.00 66.70 67.48 1n4m h VAL 725 Cb 0.59 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1n4m h VAL 725 CO -0.89 0.09 -0.67 0.74 0.02 0.00 0.00 177.57 176.87 1n4m h THR 726 N 0.49 1.28 -0.16 2.57 2.02 -0.19 -3.24 112.91 115.67 1n4m h THR 726 Ca 0.28 -1.85 -0.19 0.00 0.77 0.00 0.00 66.41 65.41 1n4m h THR 726 Cb 0.45 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1n4m h THR 726 CO -0.08 0.60 -0.69 0.00 0.37 0.00 0.00 175.52 175.72 1n4m h ALA 727 N 0.63 0.49 -1.09 6.16 0.00 -0.59 -3.13 119.26 121.73 1n4m h ALA 727 Ca -0.02 -0.57 0.30 0.00 0.00 0.00 0.00 54.91 54.62 1n4m h ALA 727 Cb 1.29 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1n4m h ALA 727 CO 0.14 0.71 0.69 -0.92 0.00 0.00 0.00 179.25 179.87 1n4m h TYR 728 N 0.46 0.69 0.00 0.00 3.20 -1.13 0.59 116.97 120.77 1n4m h TYR 728 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1n4m h TYR 728 Cb 1.28 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1n4m h TYR 728 CO 0.06 -0.01 0.00 1.63 -1.64 0.00 0.00 178.16 178.20 1n4m n LYS 729 N -4.70 0.03 0.00 1.82 5.02 -1.18 -0.41 118.16 118.74 1n4m n LYS 729 Ca 0.28 0.51 0.14 0.00 -2.02 0.00 0.00 58.31 57.22 1n4m n LYS 729 Cb 0.98 -1.60 0.54 0.00 -0.02 0.00 0.00 35.03 34.93 1n4m n LYS 729 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1n4m n ASP 730 N -1.67 0.75 -4.79 4.39 10.43 0.21 -4.89 116.55 120.97 1n4m n ASP 730 Ca 0.00 -0.81 -0.39 0.00 2.57 0.00 0.00 54.79 56.16 1n4m n ASP 730 Cb 0.03 0.01 -0.06 0.00 1.84 0.00 0.00 41.12 42.93 1n4m n ASP 730 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1n4m s LEU 731 N -2.40 4.55 0.39 0.64 1.43 0.46 -4.97 118.68 118.78 1n4m s LEU 731 Ca 0.29 1.53 0.19 0.00 -1.03 0.00 0.00 54.13 55.12 1n4m s LEU 731 Cb 0.20 -3.24 1.13 0.00 0.03 0.00 0.00 46.19 44.31 1n4m s LEU 731 CO 0.47 0.20 1.74 1.55 0.23 0.00 0.00 176.35 180.54 1n4m h PRO 732 N 4.26 0.35 0.00 1.29 0.13 -1.90 -2.66 132.00 133.47 1n4m h PRO 732 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1n4m h PRO 732 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1n4m h PRO 732 CO 0.65 0.23 0.00 -2.39 -0.23 0.00 0.00 178.00 176.26 1n4m n HIS 733 N -4.68 0.00 0.00 1.56 1.44 -1.26 -4.98 115.22 107.30 1n4m n HIS 733 Ca 0.28 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.99 1n4m n HIS 733 Cb 0.95 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 30.83 1n4m n HIS 733 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1n4m n ALA 734 N -1.21 -0.63 -2.68 1.59 0.00 -1.01 -5.05 120.51 111.53 1n4m n ALA 734 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1n4m n ALA 734 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1n4m n ALA 734 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n4m s VAL 735 N 0.00 0.80 0.23 0.00 1.01 -1.26 -4.93 120.40 116.24 1n4m s VAL 735 Ca 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 61.98 60.63 1n4m s VAL 735 Cb 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1n4m s VAL 735 CO 0.00 -0.42 1.62 1.56 0.00 0.00 0.00 175.10 177.86 1n4m h GLN 736 N 4.11 0.60 -1.18 2.72 4.20 -1.99 -2.91 115.11 120.65 1n4m h GLN 736 Ca -0.37 -0.28 0.34 0.00 0.06 0.00 0.00 58.65 58.39 1n4m h GLN 736 Cb 1.19 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.91 1n4m h GLN 736 CO 0.45 0.86 0.83 1.49 -0.67 0.00 0.00 178.83 181.79 1n4m h GLU 737 N 0.51 0.07 0.00 1.46 4.22 -1.95 0.15 114.58 119.03 1n4m h GLU 737 Ca 0.05 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.45 1n4m h GLU 737 Cb 0.83 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1n4m h GLU 737 CO 0.07 0.04 -0.18 1.15 -2.18 0.00 0.00 179.01 177.92 1n4m h THR 738 N 0.07 0.74 -0.00 0.32 2.02 -1.79 0.29 112.91 114.56 1n4m h THR 738 Ca 0.58 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1n4m h THR 738 Cb 2.17 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 1n4m h THR 738 CO -0.07 0.17 -0.07 2.22 0.37 0.00 0.00 175.52 178.15 1n4m n PHE 739 N -3.77 0.00 0.01 3.16 1.16 -0.27 -4.61 117.46 113.14 1n4m n PHE 739 Ca -0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.43 1n4m n PHE 739 Cb 0.28 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.01 1n4m n PHE 739 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 1n4m h LYS 740 N 0.03 0.13 -3.01 3.97 1.57 -0.67 0.27 116.57 118.85 1n4m h LYS 740 Ca 0.00 -0.22 -0.62 0.00 -1.87 0.00 0.00 60.65 57.95 1n4m h LYS 740 Cb 0.04 0.08 -0.40 0.00 0.08 0.00 0.00 32.23 32.02 1n4m h LYS 740 CO 0.00 0.85 -0.70 0.50 -0.57 0.00 0.00 179.45 179.53 1n4m s ARG 741 N -2.60 1.70 -0.13 3.15 3.52 1.00 -3.43 118.95 122.16 1n4m s ARG 741 Ca -0.10 -2.52 -0.04 0.00 -0.13 0.00 0.00 55.73 52.94 1n4m s ARG 741 Cb 0.07 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 1n4m s ARG 741 CO 0.82 -1.22 0.04 0.08 -0.81 0.00 0.00 175.30 174.21 1n4m s VAL 742 N -0.32 4.60 0.08 7.11 1.01 0.21 -4.69 120.40 128.40 1n4m s VAL 742 Ca 0.22 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1n4m s VAL 742 Cb -0.15 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1n4m s VAL 742 CO -0.07 0.56 1.70 -0.22 0.00 0.00 0.00 175.10 177.06 1n4m s LEU 743 N -0.43 4.37 0.00 3.92 2.96 -1.26 -0.71 118.68 127.53 1n4m s LEU 743 Ca 0.09 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.55 1n4m s LEU 743 Cb -0.12 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1n4m s LEU 743 CO 0.02 -0.92 0.00 -0.38 -1.32 0.00 0.00 176.35 173.75 1n4m n ILE 744 N 4.74 0.00 0.00 6.68 2.08 0.13 -4.92 119.36 128.08 1n4m n ILE 744 Ca 0.16 0.47 0.00 0.00 0.56 0.00 0.00 62.75 63.95 1n4m n ILE 744 Cb 0.40 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.82 1n4m n ILE 744 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1n4m n LYS 745 N -2.41 0.00 0.00 0.38 3.00 -1.23 -4.94 118.16 112.96 1n4m n LYS 745 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1n4m n LYS 745 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1n4m n LYS 745 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1n4m n GLU 746 N -0.06 1.38 -0.20 1.64 -0.58 -1.26 -4.59 120.64 116.97 1n4m n GLU 746 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1n4m n GLU 746 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1n4m n GLU 746 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1n4m n GLU 747 N 0.00 0.54 -3.42 3.49 1.02 -1.26 -4.70 120.64 116.31 1n4m n GLU 747 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 1n4m n GLU 747 Cb 0.00 -1.23 -0.09 0.00 -0.02 0.00 0.00 31.44 30.10 1n4m n GLU 747 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1n4m s GLU 748 N 0.79 4.04 0.15 3.49 2.02 -1.26 -5.02 118.70 122.91 1n4m s GLU 748 Ca 0.00 0.01 0.09 0.00 0.02 0.00 0.00 54.97 55.09 1n4m s GLU 748 Cb 0.00 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1n4m s GLU 748 CO 0.00 -0.21 -0.14 0.71 0.02 0.00 0.00 175.26 175.64 1n4m s TYR 749 N 1.87 2.58 0.19 1.61 1.51 -1.26 0.20 117.35 124.06 1n4m s TYR 749 Ca 0.14 -0.24 -0.06 0.00 -1.01 0.00 0.00 57.07 55.91 1n4m s TYR 749 Cb -0.16 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1n4m s TYR 749 CO 0.09 0.45 0.36 -3.47 -1.11 0.00 0.00 175.55 171.88 1n4m n ASP 750 N 0.42 -1.04 -4.72 2.29 -0.08 0.11 -4.83 116.55 108.69 1n4m n ASP 750 Ca -0.13 -1.84 -0.33 0.00 -1.51 0.00 0.00 54.79 50.97 1n4m n ASP 750 Cb 0.54 1.77 0.10 0.00 2.34 0.00 0.00 41.12 45.88 1n4m n ASP 750 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1n4m s SER 751 N -2.06 4.09 0.63 1.67 1.04 -1.22 0.63 113.70 118.48 1n4m s SER 751 Ca 0.10 2.24 0.38 0.00 0.48 0.00 0.00 55.95 59.15 1n4m s SER 751 Cb -0.02 -2.58 2.15 0.00 0.10 0.00 0.00 66.02 65.68 1n4m s SER 751 CO 0.07 -2.33 2.31 -0.29 0.98 0.00 0.00 173.24 173.99 1n4m h ILE 752 N -0.61 0.22 -0.14 -1.02 2.10 -0.71 0.51 117.51 117.87 1n4m h ILE 752 Ca -0.46 -0.03 -0.16 0.00 1.08 0.00 0.00 64.86 65.29 1n4m h ILE 752 Cb 1.28 1.02 -0.01 0.00 -1.09 0.00 0.00 36.82 38.03 1n4m h ILE 752 CO 0.49 0.00 -0.59 0.40 -1.08 0.00 0.00 178.15 177.37 1n4m h ILE 753 N 0.00 1.35 -0.36 2.19 2.04 -1.89 0.14 117.51 120.98 1n4m h ILE 753 Ca -0.00 -1.89 -0.11 0.00 1.00 0.00 0.00 64.86 63.86 1n4m h ILE 753 Cb 0.02 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1n4m h ILE 753 CO 0.00 0.57 -0.23 0.58 0.00 0.00 0.00 178.15 179.08 1n4m h VAL 754 N 0.33 1.29 -0.07 1.67 2.07 -1.25 -1.38 116.25 118.90 1n4m h VAL 754 Ca -0.00 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.15 1n4m h VAL 754 Cb 1.12 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1n4m h VAL 754 CO 0.10 0.45 0.03 0.15 0.02 0.00 0.00 177.57 178.32 1n4m h PHE 755 N 0.57 0.05 -0.15 1.57 3.57 -1.19 0.16 116.94 121.52 1n4m h PHE 755 Ca 0.07 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1n4m h PHE 755 Cb 0.79 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 1n4m h PHE 755 CO 0.06 0.03 -0.17 -0.92 -2.23 0.00 0.00 178.31 175.08 1n4m h TYR 756 N 0.06 -0.43 -0.24 0.41 3.20 -0.80 0.61 116.97 119.78 1n4m h TYR 756 Ca 0.03 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 1n4m h TYR 756 Cb 0.01 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1n4m h TYR 756 CO -0.09 -0.24 -0.35 -0.91 -1.64 0.00 0.00 178.16 174.92 1n4m h ASN 757 N -0.20 0.74 0.47 -2.11 2.35 -1.09 0.44 115.58 116.16 1n4m h ASN 757 Ca 0.10 -0.51 -0.30 0.00 -0.55 0.00 0.00 56.30 55.04 1n4m h ASN 757 Cb 0.35 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1n4m h ASN 757 CO -0.27 1.10 -1.57 0.28 -1.65 0.00 0.00 177.43 175.33 1n4m h SER 758 N 0.39 0.30 0.00 5.81 0.02 -0.63 -3.37 113.55 116.07 1n4m h SER 758 Ca 0.02 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1n4m h SER 758 Cb 0.94 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1n4m h SER 758 CO 0.08 1.39 -0.12 0.52 -1.14 0.00 0.00 176.83 177.56 1n4m n VAL 759 N -3.38 0.47 0.00 2.27 0.31 0.03 -4.58 118.33 113.44 1n4m n VAL 759 Ca -0.17 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1n4m n VAL 759 Cb 1.04 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 1n4m n VAL 759 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1n4m n PHE 760 N -2.97 0.00 -0.24 3.52 7.35 -0.20 0.18 117.46 125.11 1n4m n PHE 760 Ca -0.02 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.71 1n4m n PHE 760 Cb 0.06 -0.46 0.27 0.00 0.35 0.00 0.00 39.48 39.70 1n4m n PHE 760 CO 0.00 0.00 0.00 1.98 -0.76 0.00 0.00 176.76 177.98 1n4m h MET 761 N 0.00 0.94 -0.39 -4.13 4.05 -0.35 0.21 114.93 115.26 1n4m h MET 761 Ca 0.00 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.28 1n4m h MET 761 Cb 0.00 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.57 1n4m h MET 761 CO 0.00 0.62 -0.11 1.96 0.23 0.00 0.00 176.91 179.61 1n4m h GLN 762 N 0.97 0.70 0.00 0.39 1.08 -1.65 2.00 115.11 118.59 1n4m h GLN 762 Ca 0.33 -0.22 -0.25 0.00 -1.45 0.00 0.00 58.65 57.06 1n4m h GLN 762 Cb 0.09 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1n4m h GLN 762 CO -0.10 0.79 -1.01 -0.09 -0.95 0.00 0.00 178.83 177.47 1n4m h ARG 763 N 0.63 0.56 -0.41 1.46 9.65 0.72 -3.34 114.38 123.66 1n4m h ARG 763 Ca 0.11 -0.61 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 1n4m h ARG 763 Cb 0.56 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 1n4m h ARG 763 CO 0.04 1.23 0.00 1.28 2.80 0.00 0.00 179.97 185.31 1n4m n LEU 764 N -3.80 3.11 -0.41 3.80 4.77 0.65 -4.80 117.00 120.32 1n4m n LEU 764 Ca -0.09 -1.94 -0.10 0.00 -0.03 0.00 0.00 56.01 53.85 1n4m n LEU 764 Cb 0.87 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 1n4m n LEU 764 CO 0.54 0.77 0.49 0.50 -1.33 0.00 0.00 177.39 178.35 1n4m h LYS 765 N 2.57 -0.01 -0.42 3.23 3.64 0.31 -0.14 116.57 125.75 1n4m h LYS 765 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1n4m h LYS 765 Cb 0.78 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1n4m h LYS 765 CO 0.00 -0.01 -0.01 0.00 -2.27 0.00 0.00 179.45 177.17 1n4m h THR 766 N -0.01 1.23 -0.15 1.00 1.03 -1.87 -2.40 112.91 111.74 1n4m h THR 766 Ca 0.17 -0.93 -0.01 0.00 -0.01 0.00 0.00 66.41 65.63 1n4m h THR 766 Cb 0.43 0.92 -0.01 0.00 -1.07 0.00 0.00 68.15 68.42 1n4m h THR 766 CO -0.93 0.32 0.06 0.78 -0.01 0.00 0.00 175.52 175.74 1n4m h ASN 767 N 0.64 0.21 -0.23 0.00 2.35 -1.57 -2.30 115.58 114.67 1n4m h ASN 767 Ca 0.13 -0.17 0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1n4m h ASN 767 Cb 0.41 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.66 1n4m h ASN 767 CO 0.02 0.32 -0.16 0.40 -1.65 0.00 0.00 177.43 176.36 1n4m h ILE 768 N 0.09 0.55 -0.23 2.81 2.04 -0.90 -1.09 117.51 120.78 1n4m h ILE 768 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1n4m h ILE 768 Cb 0.18 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1n4m h ILE 768 CO -0.00 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.25 1n4m h LEU 769 N -0.15 0.00 -2.49 1.44 3.38 -1.30 -1.49 115.31 114.71 1n4m h LEU 769 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1n4m h LEU 769 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1n4m h LEU 769 CO -0.33 0.00 -0.00 1.56 0.09 0.00 0.00 178.44 179.76 1n4m h GLN 770 N 0.00 0.00 0.00 1.13 4.20 -0.61 -0.89 115.11 118.94 1n4m h GLN 770 Ca 0.11 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.72 1n4m h GLN 770 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1n4m h GLN 770 CO -0.00 0.00 -0.46 1.88 -0.67 0.00 0.00 178.83 179.59 1n4m h TYR 771 N 0.00 0.00 -0.10 2.96 -1.99 -1.29 -2.80 116.97 113.74 1n4m h TYR 771 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1n4m h TYR 771 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 1n4m h TYR 771 CO 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 178.16 178.62 1n4m n ALA 772 N -2.31 2.46 -1.92 3.88 0.00 -0.38 -4.79 120.51 117.45 1n4m n ALA 772 Ca -0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 53.44 52.41 1n4m n ALA 772 Cb 0.57 -0.86 0.15 0.00 0.00 0.00 0.00 19.45 19.31 1n4m n ALA 772 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n4m s SER 773 N -1.89 3.70 0.33 0.00 1.04 -0.94 -4.99 113.70 110.95 1n4m s SER 773 Ca 0.31 0.48 0.06 0.00 0.48 0.00 0.00 55.95 57.28 1n4m s SER 773 Cb 0.21 -0.72 0.58 0.00 0.10 0.00 0.00 66.02 66.19 1n4m s SER 773 CO 0.31 -2.38 1.82 0.00 0.98 0.00 0.00 173.24 173.96 1n4m h THR 774 N -1.40 1.23 -3.16 2.02 1.03 -1.93 -3.32 112.91 107.38 1n4m h THR 774 Ca -0.45 -1.02 -0.63 0.00 -0.01 0.00 0.00 66.41 64.30 1n4m h THR 774 Cb 1.27 1.23 -0.41 0.00 -1.07 0.00 0.00 68.15 69.17 1n4m h THR 774 CO 0.50 0.32 -0.57 -0.13 -0.01 0.00 0.00 175.52 175.64 1n4m s ARG 775 N -4.65 2.40 0.42 0.00 3.00 -1.26 -5.09 118.95 113.76 1n4m s ARG 775 Ca -0.06 -3.19 -0.26 0.00 0.00 0.00 0.00 55.73 52.22 1n4m s ARG 775 Cb 0.15 -3.43 -0.10 0.00 0.00 0.00 0.00 34.95 31.58 1n4m s ARG 775 CO 0.76 -1.25 1.36 -2.30 0.00 0.00 0.00 175.30 173.87 1n4m n PRO 776 N 2.23 2.14 -1.68 3.54 -0.02 -1.25 -4.92 135.00 135.03 1n4m n PRO 776 Ca 0.17 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.97 1n4m n PRO 776 Cb 0.34 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.31 1n4m n PRO 776 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n4m n PRO 777 N 0.02 2.08 -1.67 0.52 -0.02 -1.26 -4.85 135.00 129.83 1n4m n PRO 777 Ca 0.05 0.73 -0.46 0.00 -2.02 0.00 0.00 63.50 61.81 1n4m n PRO 777 Cb 0.40 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1n4m n PRO 777 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1n4m n THR 778 N 1.05 0.03 -1.98 3.45 5.66 -1.26 -4.89 114.28 116.33 1n4m n THR 778 Ca 0.08 -0.01 -0.40 0.00 -3.05 0.00 0.00 64.05 60.67 1n4m n THR 778 Cb 0.34 -1.52 -0.01 0.00 -1.55 0.00 0.00 70.33 67.59 1n4m n THR 778 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1n4m s LEU 779 N 0.88 4.31 -0.07 1.09 1.02 -1.26 -4.99 118.68 119.65 1n4m s LEU 779 Ca 0.79 2.81 -0.21 0.00 0.02 0.00 0.00 54.13 57.53 1n4m s LEU 779 Cb -0.68 -3.75 -0.04 0.00 0.02 0.00 0.00 46.19 41.74 1n4m s LEU 779 CO 0.38 -0.77 0.62 -0.94 0.02 0.00 0.00 176.35 175.66 1n4m s SER 780 N -0.45 6.90 0.18 2.29 1.04 -1.26 -5.01 113.70 117.38 1n4m s SER 780 Ca 0.53 1.08 -0.33 0.00 0.48 0.00 0.00 55.95 57.71 1n4m s SER 780 Cb -0.42 -2.37 -0.15 0.00 0.10 0.00 0.00 66.02 63.18 1n4m s SER 780 CO 0.55 -0.05 1.23 -0.81 0.98 0.00 0.00 173.24 175.14 1n4m n PRO 781 N 3.59 1.33 -2.49 4.02 -0.04 -1.26 -4.73 135.00 135.41 1n4m n PRO 781 Ca -0.04 0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 63.47 1n4m n PRO 781 Cb 0.51 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1n4m n PRO 781 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1n4m s ILE 782 N -0.09 4.29 0.27 0.52 -1.16 -1.26 -4.98 121.20 118.79 1n4m s ILE 782 Ca 0.73 1.63 -0.31 0.00 -0.51 0.00 0.00 60.65 62.19 1n4m s ILE 782 Cb -0.82 -4.04 -0.13 0.00 0.61 0.00 0.00 42.46 38.08 1n4m s ILE 782 CO 0.51 0.06 1.47 -2.65 -2.81 0.00 0.00 174.94 171.52 1n4m n PRO 783 N 4.59 2.28 -4.65 3.50 -0.02 -1.26 -5.00 135.00 134.45 1n4m n PRO 783 Ca 0.09 0.81 -0.29 0.00 -2.02 0.00 0.00 63.50 62.10 1n4m n PRO 783 Cb 0.47 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 1n4m n PRO 783 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1n4m s HIS 784 N -0.10 2.36 0.00 6.00 3.76 -1.26 -4.95 115.29 121.10 1n4m s HIS 784 Ca 0.66 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 1n4m s HIS 784 Cb -0.59 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.37 1n4m s HIS 784 CO 0.50 0.39 0.00 0.44 -0.85 0.00 0.00 174.74 175.22