#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 0.00 -0.30 5.53 5.66 -1.26 -4.43 114.28 119.48 1n4m n THR 381 Ca 0.00 -2.26 0.23 0.00 -3.05 0.00 0.00 64.05 58.97 1n4m n THR 381 Cb 0.00 0.51 0.43 0.00 -1.55 0.00 0.00 70.33 69.72 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 -1.15 -0.38 0.80 1.09 3.06 -1.26 0.18 119.36 121.70 1n4m n ILE 382 Ca -0.18 1.91 0.08 0.00 -2.50 0.00 0.00 62.75 62.07 1n4m n ILE 382 Cb 0.60 -2.98 0.23 0.00 0.54 0.00 0.00 39.64 38.04 1n4m n ILE 382 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1n4m n GLN 383 N -5.17 1.93 -0.06 9.51 1.13 -1.26 -3.48 117.38 119.98 1n4m n GLN 383 Ca 0.29 -1.43 -0.19 0.00 -1.94 0.00 0.00 57.00 53.73 1n4m n GLN 383 Cb 0.99 -1.35 -0.13 0.00 0.11 0.00 0.00 30.24 29.85 1n4m n GLN 383 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1n4m n GLN 384 N 0.66 0.70 0.00 -1.09 -0.06 0.48 -3.55 117.38 114.52 1n4m n GLN 384 Ca 0.15 0.20 -0.17 0.00 -2.00 0.00 0.00 57.00 55.18 1n4m n GLN 384 Cb 0.36 -1.63 -0.13 0.00 -4.06 0.00 0.00 30.24 24.78 1n4m n GLN 384 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1n4m h LEU 385 N 0.04 0.38 -1.85 1.69 -0.00 -1.67 0.13 115.31 114.02 1n4m h LEU 385 Ca -0.48 -0.85 0.14 0.00 -0.00 0.00 0.00 57.88 56.68 1n4m h LEU 385 Cb 1.99 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 42.51 1n4m h LEU 385 CO 0.01 1.19 0.55 0.24 -0.00 0.00 0.00 178.44 180.44 1n4m h MET 386 N -0.39 0.00 0.00 1.13 2.86 -1.76 -2.18 114.93 114.60 1n4m h MET 386 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1n4m h MET 386 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1n4m h MET 386 CO 0.10 0.00 0.00 -0.12 1.06 0.00 0.00 176.91 177.95 1n4m n MET 387 N -3.63 0.00 -0.40 1.72 0.00 -1.00 -3.78 117.12 110.04 1n4m n MET 387 Ca 0.09 0.07 0.33 0.00 -0.00 0.00 0.00 57.70 58.19 1n4m n MET 387 Cb 0.75 -0.52 0.54 0.00 0.00 0.00 0.00 33.22 33.99 1n4m n MET 387 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1n4m n ILE 388 N -0.86 -0.16 0.22 1.12 -5.35 0.43 0.21 119.36 114.97 1n4m n ILE 388 Ca 0.00 1.33 -0.14 0.00 -0.27 0.00 0.00 62.75 63.68 1n4m n ILE 388 Cb 0.00 -2.19 -0.08 0.00 -1.74 0.00 0.00 39.64 35.63 1n4m n ILE 388 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1n4m h LEU 389 N 0.00 -0.49 -8.56 7.28 3.38 -1.59 -3.40 115.31 111.92 1n4m h LEU 389 Ca 0.68 -0.10 -0.42 0.00 0.09 0.00 0.00 57.88 58.14 1n4m h LEU 389 Cb 2.31 0.13 0.00 0.00 0.09 0.00 0.00 40.66 43.19 1n4m h LEU 389 CO -0.29 -0.14 1.43 0.20 0.09 0.00 0.00 178.44 179.73 1n4m s ASN 390 N -4.87 4.46 0.16 -0.43 -0.87 0.13 -4.88 114.94 108.65 1n4m s ASN 390 Ca -0.14 0.87 -0.10 0.00 -1.57 0.00 0.00 52.86 51.92 1n4m s ASN 390 Cb 0.02 -2.51 -0.00 0.00 -0.02 0.00 0.00 41.25 38.74 1n4m s ASN 390 CO 0.51 -2.94 0.32 -0.44 -2.57 0.00 0.00 177.10 171.98 1n4m s SER 391 N 11.63 -0.01 0.00 -1.22 0.01 -1.26 -4.98 113.70 117.87 1n4m s SER 391 Ca 0.94 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 57.42 1n4m s SER 391 Cb -0.16 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.55 1n4m s SER 391 CO 0.23 -0.91 0.89 0.00 0.41 0.00 0.00 173.24 173.86 1n4m n ALA 392 N -0.23 1.16 -3.16 1.44 0.00 -1.26 -4.39 120.51 114.07 1n4m n ALA 392 Ca -0.08 -0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.96 1n4m n ALA 392 Cb 0.63 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.73 5.53 -0.04 0.00 0.15 -1.26 -4.85 113.70 110.49 1n4m s SER 393 Ca 0.00 -1.25 0.18 0.00 0.70 0.00 0.00 55.95 55.58 1n4m s SER 393 Cb 0.00 -1.95 -0.27 0.00 -1.71 0.00 0.00 66.02 62.10 1n4m s SER 393 CO 0.01 -0.42 0.35 0.47 1.20 0.00 0.00 173.24 174.85 1n4m n ASP 394 N 4.89 0.86 -4.99 5.45 8.00 -1.26 -4.96 116.55 124.53 1n4m n ASP 394 Ca -0.11 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.20 1n4m n ASP 394 Cb 0.44 1.70 0.01 0.00 -0.02 0.00 0.00 41.12 43.26 1n4m n ASP 394 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n4m s GLN 395 N -3.14 2.65 0.42 -1.24 0.00 -1.26 -4.71 119.66 112.37 1n4m s GLN 395 Ca -0.07 -1.41 -0.26 0.00 -0.00 0.00 0.00 55.36 53.63 1n4m s GLN 395 Cb 0.11 -2.65 -0.10 0.00 0.00 0.00 0.00 33.01 30.37 1n4m s GLN 395 CO 0.74 -0.40 1.33 -0.35 0.00 0.00 0.00 175.29 176.62 1n4m n PRO 396 N -1.88 2.10 -1.17 9.60 -0.04 -1.26 -4.97 135.00 137.37 1n4m n PRO 396 Ca 0.09 0.74 -0.30 0.00 -0.04 0.00 0.00 63.50 63.99 1n4m n PRO 396 Cb 0.60 -2.47 0.13 0.00 -0.04 0.00 0.00 33.50 31.72 1n4m n PRO 396 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1n4m s SER 397 N -0.46 3.72 0.24 3.54 1.04 -1.26 -4.79 113.70 115.73 1n4m s SER 397 Ca 0.60 1.65 -0.05 0.00 0.48 0.00 0.00 55.95 58.63 1n4m s SER 397 Cb -0.50 -2.32 0.36 0.00 0.10 0.00 0.00 66.02 63.67 1n4m s SER 397 CO 0.59 -2.51 1.84 -0.08 0.98 0.00 0.00 173.24 174.06 1n4m h GLU 398 N -1.46 0.89 0.00 4.02 4.81 -1.99 -0.80 114.58 120.06 1n4m h GLU 398 Ca -0.47 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 1n4m h GLU 398 Cb 1.27 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1n4m h GLU 398 CO 0.52 0.59 -0.32 -0.97 -0.73 0.00 0.00 179.01 178.11 1n4m h ASN 399 N 0.92 0.00 -0.05 1.04 -1.24 -2.00 -1.86 115.58 112.39 1n4m h ASN 399 Ca 0.39 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.24 1n4m h ASN 399 Cb 0.24 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.30 1n4m h ASN 399 CO -0.20 0.32 -0.58 0.25 -1.29 0.00 0.00 177.43 175.93 1n4m h LEU 400 N 0.00 0.59 -2.66 0.34 6.46 -1.58 -2.94 115.31 115.51 1n4m h LEU 400 Ca -0.00 -0.70 -0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1n4m h LEU 400 Cb 0.60 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1n4m h LEU 400 CO 0.04 1.21 -0.01 0.40 -0.62 0.00 0.00 178.44 179.46 1n4m h ILE 401 N 0.02 0.15 -0.30 4.05 2.04 -0.88 0.49 117.51 123.07 1n4m h ILE 401 Ca -0.06 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.58 1n4m h ILE 401 Cb 1.26 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1n4m h ILE 401 CO 0.12 0.01 -0.35 -1.28 0.00 0.00 0.00 178.15 176.65 1n4m h SER 402 N 0.00 0.70 0.24 1.72 0.87 -1.16 -1.39 113.55 114.53 1n4m h SER 402 Ca -0.00 -0.29 -0.14 0.00 -1.23 0.00 0.00 61.79 60.12 1n4m h SER 402 Cb 0.08 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1n4m h SER 402 CO 0.00 0.99 -0.55 1.88 -0.53 0.00 0.00 176.83 178.61 1n4m h TYR 403 N 0.56 0.42 0.01 2.24 0.05 -0.93 -2.46 116.97 116.85 1n4m h TYR 403 Ca 0.06 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 1n4m h TYR 403 Cb 0.86 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.52 1n4m h TYR 403 CO 0.04 0.81 -0.00 0.74 -1.05 0.00 0.00 178.16 178.70 1n4m h PHE 404 N 0.26 -0.01 0.00 4.88 0.04 -1.12 -2.93 116.94 118.05 1n4m h PHE 404 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1n4m h PHE 404 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1n4m h PHE 404 CO 0.03 0.23 0.00 0.09 -0.60 0.00 0.00 178.31 178.06 1n4m n ASN 405 N -4.98 0.52 -0.06 2.17 3.02 -0.55 -1.56 115.26 113.82 1n4m n ASN 405 Ca -0.08 0.65 0.12 0.00 -0.03 0.00 0.00 54.58 55.24 1n4m n ASN 405 Cb 0.14 -0.75 0.30 0.00 -0.61 0.00 0.00 39.78 38.86 1n4m n ASN 405 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n4m n ASN 406 N -2.09 0.60 -4.70 6.41 3.02 -0.93 -4.91 115.26 112.66 1n4m n ASN 406 Ca 0.02 -0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 1n4m n ASN 406 Cb 0.18 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 1n4m n ASN 406 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n4m h THR 408 N 4.57 0.67 -3.78 0.00 2.02 -1.91 -3.22 112.91 111.26 1n4m h THR 408 Ca -0.40 -0.20 -0.67 0.00 0.77 0.00 0.00 66.41 65.91 1n4m h THR 408 Cb 1.20 0.04 -0.37 0.00 -1.74 0.00 0.00 68.15 67.28 1n4m h THR 408 CO 0.88 0.10 -0.74 -0.69 0.37 0.00 0.00 175.52 175.44 1n4m s VAL 409 N -5.64 2.42 0.04 3.16 1.01 -1.26 -5.07 120.40 115.06 1n4m s VAL 409 Ca -0.10 -1.81 -0.30 0.00 0.00 0.00 0.00 61.98 59.77 1n4m s VAL 409 Cb 0.24 -2.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.00 1n4m s VAL 409 CO 0.79 -0.24 1.87 0.21 0.00 0.00 0.00 175.10 177.73 1n4m s ASN 410 N 1.13 6.49 0.00 3.32 3.84 -1.22 -4.83 114.94 123.67 1n4m s ASN 410 Ca -0.02 2.60 0.25 0.00 0.21 0.00 0.00 52.86 55.89 1n4m s ASN 410 Cb -0.20 -2.54 0.34 0.00 -0.55 0.00 0.00 41.25 38.30 1n4m s ASN 410 CO -0.05 -1.01 1.34 -0.81 -2.79 0.00 0.00 177.10 173.78 1n4m n PRO 411 N 7.03 2.21 -0.18 0.43 -0.04 -1.26 -4.68 135.00 138.52 1n4m n PRO 411 Ca 0.19 -1.76 -0.10 0.00 -0.04 0.00 0.00 63.50 61.79 1n4m n PRO 411 Cb 0.41 -1.46 -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 4.30 -0.27 -0.72 0.54 3.64 -1.89 -1.01 116.57 121.16 1n4m h LYS 412 Ca 0.00 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1n4m h LYS 412 Cb 0.91 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 1n4m h LYS 412 CO 0.00 -0.18 0.26 0.93 -2.27 0.00 0.00 179.45 178.19 1n4m h GLU 413 N -0.28 1.08 0.09 1.90 4.39 -1.99 -1.18 114.58 118.60 1n4m h GLU 413 Ca 0.15 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1n4m h GLU 413 Cb 0.57 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1n4m h GLU 413 CO -0.65 0.90 -0.08 0.77 -1.16 0.00 0.00 179.01 178.79 1n4m h SER 414 N 1.05 -0.21 -0.35 1.42 0.02 -1.61 0.23 113.55 114.10 1n4m h SER 414 Ca 0.24 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 1n4m h SER 414 Cb 0.24 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1n4m h SER 414 CO -0.02 -0.13 -0.16 0.16 -1.14 0.00 0.00 176.83 175.55 1n4m h ILE 415 N -0.19 1.26 0.05 3.27 -0.00 -1.12 0.32 117.51 121.11 1n4m h ILE 415 Ca 0.00 -1.25 -0.00 0.00 -0.00 0.00 0.00 64.86 63.61 1n4m h ILE 415 Cb 0.18 1.10 0.00 0.00 -0.00 0.00 0.00 36.82 38.10 1n4m h ILE 415 CO -0.02 0.43 -0.03 -0.07 -0.00 0.00 0.00 178.15 178.46 1n4m h LEU 416 N 0.72 -0.06 -0.76 0.16 3.38 -1.00 0.02 115.31 117.77 1n4m h LEU 416 Ca 0.11 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1n4m h LEU 416 Cb 0.66 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1n4m h LEU 416 CO 0.05 0.12 0.19 0.11 0.09 0.00 0.00 178.44 179.00 1n4m h LYS 417 N -0.23 1.12 -0.71 1.13 1.57 -0.42 -1.94 116.57 117.09 1n4m h LYS 417 Ca -0.01 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1n4m h LYS 417 Cb 0.21 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1n4m h LYS 417 CO 0.01 0.98 0.33 -0.09 -0.57 0.00 0.00 179.45 180.11 1n4m h ARG 418 N 1.07 1.03 -0.39 3.15 2.43 -0.21 0.46 114.38 121.92 1n4m h ARG 418 Ca 0.23 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1n4m h ARG 418 Cb 0.34 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1n4m h ARG 418 CO -0.00 0.82 0.17 0.28 -1.51 0.00 0.00 179.97 179.73 1n4m h VAL 419 N 1.00 1.19 0.30 0.20 2.07 -0.75 0.67 116.25 120.94 1n4m h VAL 419 Ca 0.24 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1n4m h VAL 419 Cb 0.13 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1n4m h VAL 419 CO -0.03 0.21 -0.27 0.50 0.02 0.00 0.00 177.57 178.00 1n4m h LYS 420 N 0.49 -0.56 -0.74 1.57 3.64 -0.74 0.29 116.57 120.52 1n4m h LYS 420 Ca 0.13 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1n4m h LYS 420 Cb 0.16 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1n4m h LYS 420 CO -0.01 -0.38 0.36 -0.44 -2.27 0.00 0.00 179.45 176.71 1n4m h ASP 421 N -0.59 0.96 0.19 4.20 3.32 0.02 -2.07 116.42 122.46 1n4m h ASP 421 Ca -0.02 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 1n4m h ASP 421 Cb 0.53 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1n4m h ASP 421 CO -0.03 0.82 -0.34 0.40 -1.72 0.00 0.00 179.24 178.37 1n4m h ILE 422 N 1.03 1.28 -0.43 0.35 1.08 -0.70 -2.28 117.51 117.85 1n4m h ILE 422 Ca 0.25 -1.33 0.07 0.00 -0.39 0.00 0.00 64.86 63.46 1n4m h ILE 422 Cb 0.11 1.57 -0.06 0.00 -3.07 0.00 0.00 36.82 35.37 1n4m h ILE 422 CO -0.03 0.40 0.09 1.23 -0.69 0.00 0.00 178.15 179.15 1n4m h GLY 423 N 1.10 0.51 1.00 5.37 0.00 -0.23 0.10 103.07 110.93 1n4m h GLY 423 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1n4m h GLY 423 CO 0.05 -0.03 0.39 -1.82 0.00 0.00 0.00 176.54 175.12 1n4m h TYR 424 N 0.23 0.82 -0.03 5.60 5.03 -1.10 0.03 116.97 127.55 1n4m h TYR 424 Ca 0.21 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 1n4m h TYR 424 Cb 0.25 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.26 1n4m h TYR 424 CO -0.20 0.55 -0.04 0.82 -1.32 0.00 0.00 178.16 177.98 1n4m h ILE 425 N 0.85 1.41 0.12 1.81 1.08 -1.19 -2.28 117.51 119.31 1n4m h ILE 425 Ca 0.23 -1.26 0.01 0.00 -0.39 0.00 0.00 64.86 63.44 1n4m h ILE 425 Cb -0.04 2.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.89 1n4m h ILE 425 CO -0.04 0.34 -0.19 0.15 -0.69 0.00 0.00 178.15 177.72 1n4m h PHE 426 N -0.42 -0.49 -0.92 1.37 3.04 -0.79 0.21 116.94 118.93 1n4m h PHE 426 Ca 0.00 0.01 0.19 0.00 3.98 0.00 0.00 57.97 62.15 1n4m h PHE 426 Cb 0.57 0.20 -0.08 0.00 2.56 0.00 0.00 35.95 39.21 1n4m h PHE 426 CO 0.11 -0.28 0.60 0.87 -2.02 0.00 0.00 178.31 177.59 1n4m h LYS 427 N -0.37 0.51 0.11 1.11 1.57 -1.02 0.15 116.57 118.63 1n4m h LYS 427 Ca 0.02 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 1n4m h LYS 427 Cb 0.38 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1n4m h LYS 427 CO -0.10 0.34 -1.60 1.05 -0.57 0.00 0.00 179.45 178.57 1n4m h GLU 428 N 0.53 0.23 -0.67 3.15 -0.00 -0.83 -3.10 114.58 113.89 1n4m h GLU 428 Ca 0.49 -0.40 -0.08 0.00 -0.00 0.00 0.00 59.36 59.37 1n4m h GLU 428 Cb 1.05 0.15 -0.03 0.00 -0.00 0.00 0.00 28.75 29.92 1n4m h GLU 428 CO -0.22 1.08 0.10 0.87 -0.00 0.00 0.00 179.01 180.83 1n4m h LYS 429 N 0.06 1.12 0.79 1.06 1.79 0.03 0.13 116.57 121.55 1n4m h LYS 429 Ca -0.27 -0.30 -0.04 0.00 -2.18 0.00 0.00 60.65 57.86 1n4m h LYS 429 Cb 2.02 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 32.54 1n4m h LYS 429 CO 0.15 1.02 -0.47 0.35 -1.08 0.00 0.00 179.45 179.42 1n4m h PHE 430 N 1.04 -1.25 0.49 -1.35 3.04 -0.84 -2.69 116.94 115.38 1n4m h PHE 430 Ca 0.20 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 1n4m h PHE 430 Cb 0.46 0.44 -0.00 0.00 2.56 0.00 0.00 35.95 39.40 1n4m h PHE 430 CO 0.03 -0.71 -0.30 0.00 -2.02 0.00 0.00 178.31 175.32 1n4m h ALA 431 N -1.25 -1.13 0.00 2.41 0.00 -1.51 -2.97 119.26 114.81 1n4m h ALA 431 Ca -0.11 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 1n4m h ALA 431 Cb 0.94 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1n4m h ALA 431 CO 0.12 -1.10 1.26 1.63 0.00 0.00 0.00 179.25 181.15 1n4m n LYS 432 N -4.21 1.72 0.00 0.00 4.01 0.43 -0.90 118.16 119.20 1n4m n LYS 432 Ca -0.09 -1.05 0.00 0.00 -0.51 0.00 0.00 58.31 56.66 1n4m n LYS 432 Cb 0.31 -2.13 0.00 0.00 -0.51 0.00 0.00 35.03 32.70 1n4m n LYS 432 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n4m n ALA 433 N 3.36 0.00 -0.69 7.82 0.00 -1.02 -4.74 120.51 125.23 1n4m n ALA 433 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1n4m n ALA 433 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 -0.46 0.00 0.00 0.31 -1.03 -4.73 118.33 112.42 1n4m n VAL 434 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1n4m n VAL 434 Cb 0.00 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 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 -0.52 0.00 3.55 2.92 0.00 -0.08 -4.61 105.19 106.45 1n4m n GLY 435 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1n4m n GLY 435 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4m s ALA 436 N 0.00 2.49 0.00 4.61 0.00 -1.19 -2.57 121.76 125.10 1n4m s ALA 436 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1n4m s ALA 436 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.81 1n4m s ALA 436 CO 0.00 -3.60 0.00 0.41 0.00 0.00 0.00 175.76 172.57 1n4m n GLY 437 N 5.66 1.85 1.61 0.00 0.00 -1.26 -4.92 105.19 108.12 1n4m n GLY 437 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1n4m n GLY 437 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n4m n VAL 439 N 0.39 0.00 0.10 0.00 0.24 -1.25 0.23 118.33 118.04 1n4m n VAL 439 Ca 0.26 1.14 -0.01 0.00 -2.04 0.00 0.00 64.34 63.69 1n4m n VAL 439 Cb 1.09 -1.97 -0.04 0.00 -1.47 0.00 0.00 33.84 31.45 1n4m n VAL 439 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n4m h ALA 440 N 0.64 0.55 -0.09 2.33 0.00 -1.93 -3.35 119.26 117.42 1n4m h ALA 440 Ca 0.61 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1n4m h ALA 440 Cb 2.82 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 20.52 1n4m h ALA 440 CO -0.01 0.90 0.04 0.82 0.00 0.00 0.00 179.25 181.00 1n4m h ILE 441 N 0.00 1.12 0.00 0.00 2.04 0.24 -2.64 117.51 118.27 1n4m h ILE 441 Ca -0.02 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1n4m h ILE 441 Cb 1.56 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1n4m h ILE 441 CO 0.09 0.11 -0.06 1.23 0.00 0.00 0.00 178.15 179.51 1n4m h GLY 442 N 0.01 0.00 0.83 5.37 0.00 -1.70 -1.13 103.07 106.44 1n4m h GLY 442 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1n4m h GLY 442 CO -0.00 0.00 0.03 0.23 0.00 0.00 0.00 176.54 176.79 1n4m h SER 443 N 0.00 0.14 -0.16 0.19 0.87 -1.61 0.45 113.55 113.43 1n4m h SER 443 Ca -0.00 -0.21 -0.09 0.00 -1.23 0.00 0.00 61.79 60.26 1n4m h SER 443 Cb 0.13 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1n4m h SER 443 CO 0.01 0.31 -0.18 -0.61 -0.53 0.00 0.00 176.83 175.84 1n4m h GLN 444 N -0.04 0.57 -0.02 2.24 5.75 -1.10 0.40 115.11 122.91 1n4m h GLN 444 Ca 0.03 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1n4m h GLN 444 Cb 0.23 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 1n4m h GLN 444 CO -0.00 0.72 0.01 0.00 -2.65 0.00 0.00 178.83 176.91 1n4m h ARG 445 N 0.51 0.03 -0.73 1.69 2.47 -0.95 -2.21 114.38 115.20 1n4m h ARG 445 Ca 0.08 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.84 1n4m h ARG 445 Cb 0.60 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.86 1n4m h ARG 445 CO 0.04 0.25 0.45 -0.92 0.56 0.00 0.00 179.97 180.35 1n4m h TYR 446 N -0.19 0.83 -0.19 3.04 3.20 0.38 -1.45 116.97 122.59 1n4m h TYR 446 Ca 0.01 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1n4m h TYR 446 Cb 0.23 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 1n4m h TYR 446 CO 0.00 0.45 -0.19 -0.22 -1.64 0.00 0.00 178.16 176.56 1n4m h LYS 447 N 0.85 -0.20 -0.68 1.82 3.64 -0.06 -0.83 116.57 121.11 1n4m h LYS 447 Ca 0.31 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.76 1n4m h LYS 447 Cb 0.09 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1n4m h LYS 447 CO -0.14 -0.13 0.38 -0.07 -2.27 0.00 0.00 179.45 177.22 1n4m h LEU 448 N -0.21 0.56 -0.71 5.20 3.38 -0.76 -1.92 115.31 120.85 1n4m h LEU 448 Ca 0.12 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1n4m h LEU 448 Cb 0.39 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1n4m h LEU 448 CO -0.31 0.36 0.47 1.23 0.09 0.00 0.00 178.44 180.28 1n4m h GLY 449 N 0.70 1.01 1.15 0.83 0.00 -0.67 -1.27 103.07 104.81 1n4m h GLY 449 Ca 0.31 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1n4m h GLY 449 CO -0.19 0.35 0.50 -2.08 0.00 0.00 0.00 176.54 175.12 1n4m h VAL 450 N 0.95 1.23 -0.02 4.60 2.07 -0.41 0.61 116.25 125.28 1n4m h VAL 450 Ca 0.27 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1n4m h VAL 450 Cb -0.08 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1n4m h VAL 450 CO -0.07 0.24 -0.00 0.03 0.02 0.00 0.00 177.57 177.80 1n4m h ARG 451 N 1.15 0.03 -1.00 1.57 3.08 -1.07 -0.02 114.38 118.12 1n4m h ARG 451 Ca 0.30 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.47 1n4m h ARG 451 Cb -0.04 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.92 1n4m h ARG 451 CO -0.06 0.35 0.63 1.25 -1.07 0.00 0.00 179.97 181.08 1n4m h LEU 452 N -0.29 0.90 0.05 3.04 6.46 -0.77 -0.21 115.31 124.50 1n4m h LEU 452 Ca 0.01 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1n4m h LEU 452 Cb 0.34 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1n4m h LEU 452 CO 0.00 0.46 -0.03 0.22 -0.62 0.00 0.00 178.44 178.47 1n4m h TYR 453 N 0.95 -0.07 -0.39 1.25 3.20 -0.33 0.35 116.97 121.94 1n4m h TYR 453 Ca 0.51 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.30 1n4m h TYR 453 Cb 0.56 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1n4m h TYR 453 CO -0.00 0.01 -0.10 1.88 -1.64 0.00 0.00 178.16 178.31 1n4m h TYR 454 N -0.13 0.73 0.33 -3.82 0.05 -0.43 -0.59 116.97 113.11 1n4m h TYR 454 Ca -0.01 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 1n4m h TYR 454 Cb 0.11 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.66 1n4m h TYR 454 CO -0.06 0.75 -0.16 -0.09 -1.05 0.00 0.00 178.16 177.56 1n4m h ARG 455 N 0.62 -0.42 -0.85 4.88 2.43 -0.84 -0.50 114.38 119.68 1n4m h ARG 455 Ca 0.11 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1n4m h ARG 455 Cb 0.54 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 1n4m h ARG 455 CO 0.03 -0.13 0.57 0.28 -1.51 0.00 0.00 179.97 179.21 1n4m h VAL 456 N -0.71 1.22 -0.56 0.20 2.07 -0.91 -2.14 116.25 115.41 1n4m h VAL 456 Ca -0.04 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1n4m h VAL 456 Cb 0.49 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1n4m h VAL 456 CO 0.07 0.21 0.34 -0.03 0.02 0.00 0.00 177.57 178.19 1n4m h MET 457 N 1.16 0.66 0.18 1.57 1.85 -1.04 0.89 114.93 120.20 1n4m h MET 457 Ca 0.31 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.36 1n4m h MET 457 Cb -0.13 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 31.75 1n4m h MET 457 CO -0.07 0.44 -0.09 1.49 -0.40 0.00 0.00 176.91 178.28 1n4m h GLU 458 N 0.68 -0.23 -0.49 0.39 4.81 -0.57 -1.20 114.58 117.96 1n4m h GLU 458 Ca 0.22 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1n4m h GLU 458 Cb 0.01 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1n4m h GLU 458 CO -0.09 -0.10 0.30 0.66 -0.73 0.00 0.00 179.01 179.04 1n4m h SER 459 N -0.31 0.58 -0.99 1.04 4.64 -1.23 0.24 113.55 117.53 1n4m h SER 459 Ca -0.02 -0.05 0.18 0.00 -0.47 0.00 0.00 61.79 61.42 1n4m h SER 459 Cb 0.24 -0.15 -0.10 0.00 -0.31 0.00 0.00 62.40 62.08 1n4m h SER 459 CO 0.04 0.46 0.61 -0.03 -0.87 0.00 0.00 176.83 177.05 1n4m h MET 460 N 0.65 0.74 -0.06 4.77 4.05 -0.67 0.60 114.93 125.01 1n4m h MET 460 Ca 0.18 -0.04 -0.24 0.00 -0.28 0.00 0.00 59.70 59.32 1n4m h MET 460 Cb -0.01 -0.17 0.01 0.00 -0.80 0.00 0.00 31.60 30.63 1n4m h MET 460 CO -0.03 0.49 -0.90 -0.07 0.23 0.00 0.00 176.91 176.63 1n4m h LEU 461 N 0.76 0.80 -0.34 3.39 3.38 -0.36 0.41 115.31 123.35 1n4m h LEU 461 Ca 0.55 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1n4m h LEU 461 Cb 0.85 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1n4m h LEU 461 CO -0.33 1.38 -0.00 0.11 0.09 0.00 0.00 178.44 179.69 1n4m h LYS 462 N 0.40 0.61 0.13 1.13 1.57 0.40 0.59 116.57 121.40 1n4m h LYS 462 Ca -0.08 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1n4m h LYS 462 Cb 1.53 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.79 1n4m h LYS 462 CO 0.17 0.73 -0.06 0.77 -0.57 0.00 0.00 179.45 180.49 1n4m h SER 463 N 0.41 -0.15 0.03 0.86 0.02 0.14 -2.30 113.55 112.57 1n4m h SER 463 Ca 0.10 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1n4m h SER 463 Cb 0.45 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1n4m h SER 463 CO 0.02 -0.09 -0.06 -0.08 -1.14 0.00 0.00 176.83 175.48 1n4m h GLU 464 N -0.19 0.08 -0.41 3.45 4.57 -0.80 -0.75 114.58 120.54 1n4m h GLU 464 Ca -0.02 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 1n4m h GLU 464 Cb 0.15 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1n4m h GLU 464 CO 0.03 0.15 -0.35 1.49 -1.18 0.00 0.00 179.01 179.15 1n4m h GLU 465 N 0.08 0.95 -0.15 1.92 4.81 -0.50 -1.10 114.58 120.59 1n4m h GLU 465 Ca 0.02 -0.48 -0.14 0.00 -0.13 0.00 0.00 59.36 58.63 1n4m h GLU 465 Cb 0.17 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1n4m h GLU 465 CO 0.01 1.14 -0.52 1.49 -0.73 0.00 0.00 179.01 180.40 1n4m h GLU 466 N 0.78 0.41 -0.09 1.92 4.57 -0.83 0.95 114.58 122.29 1n4m h GLU 466 Ca 0.07 -0.24 -0.15 0.00 -1.18 0.00 0.00 59.36 57.85 1n4m h GLU 466 Cb 0.94 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1n4m h GLU 466 CO 0.09 0.83 -0.61 -0.09 -1.18 0.00 0.00 179.01 178.05 1n4m h ARG 467 N 0.32 0.32 -0.00 1.92 2.43 -1.02 -3.34 114.38 115.00 1n4m h ARG 467 Ca 0.01 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1n4m h ARG 467 Cb 1.02 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1n4m h ARG 467 CO 0.09 0.83 -0.10 1.28 -1.51 0.00 0.00 179.97 180.56 1n4m n LEU 468 N -3.88 0.57 -3.79 3.80 4.77 -0.43 -5.04 117.00 113.00 1n4m n LEU 468 Ca -0.03 -0.68 -0.25 0.00 -0.03 0.00 0.00 56.01 55.03 1n4m n LEU 468 Cb 0.63 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.74 1n4m n LEU 468 CO 0.45 0.13 -0.01 -0.24 -1.33 0.00 0.00 177.39 176.39 1n4m n SER 469 N -0.62 -2.50 -4.07 -1.43 2.88 0.33 -5.00 113.62 103.21 1n4m n SER 469 Ca 0.01 -0.81 -0.12 0.00 -1.33 0.00 0.00 58.87 56.62 1n4m n SER 469 Cb 0.07 -3.95 -0.11 0.00 -0.75 0.00 0.00 64.21 59.47 1n4m n SER 469 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1n4m s ILE 470 N -3.55 0.53 -0.39 2.46 -4.36 -1.23 -5.05 121.20 109.62 1n4m s ILE 470 Ca 0.25 -1.20 0.15 0.00 -0.26 0.00 0.00 60.65 59.59 1n4m s ILE 470 Cb -0.13 -0.75 -0.19 0.00 1.25 0.00 0.00 42.46 42.64 1n4m s ILE 470 CO 0.82 -0.46 0.49 0.00 0.24 0.00 0.00 174.94 176.03 1n4m n GLN 471 N 1.25 1.41 -3.01 0.37 6.02 -1.26 -4.57 117.38 117.58 1n4m n GLN 471 Ca -0.21 -0.06 -0.44 0.00 -0.01 0.00 0.00 57.00 56.27 1n4m n GLN 471 Cb 0.56 -1.27 -0.03 0.00 1.02 0.00 0.00 30.24 30.52 1n4m n GLN 471 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1n4m s ASN 472 N -2.98 6.40 -0.46 1.08 3.84 -1.26 -4.71 114.94 116.85 1n4m s ASN 472 Ca 0.01 -1.68 0.03 0.00 0.21 0.00 0.00 52.86 51.42 1n4m s ASN 472 Cb 0.10 -2.35 0.47 0.00 -0.55 0.00 0.00 41.25 38.92 1n4m s ASN 472 CO 0.61 -1.11 1.61 0.49 -2.79 0.00 0.00 177.10 175.91 1n4m n PHE 473 N 6.46 2.81 0.13 0.43 3.01 -1.26 -4.76 117.46 124.28 1n4m n PHE 473 Ca 0.06 -2.51 -0.00 0.00 1.01 0.00 0.00 57.45 56.01 1n4m n PHE 473 Cb 0.46 -0.86 0.27 0.00 -0.01 0.00 0.00 39.48 39.34 1n4m n PHE 473 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1n4m h SER 474 N 1.95 0.12 -0.54 4.37 4.64 -1.90 -1.07 113.55 121.13 1n4m h SER 474 Ca 0.47 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.71 1n4m h SER 474 Cb 1.27 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1n4m h SER 474 CO 1.10 0.53 0.25 0.50 -0.87 0.00 0.00 176.83 178.34 1n4m h LYS 475 N 0.10 0.83 0.03 4.77 3.64 -1.93 -1.05 116.57 122.96 1n4m h LYS 475 Ca 0.01 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1n4m h LYS 475 Cb 0.78 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1n4m h LYS 475 CO 0.06 0.66 -0.01 1.25 -2.27 0.00 0.00 179.45 179.14 1n4m h LEU 476 N 0.82 -0.03 -0.74 5.20 5.85 -1.90 -3.25 115.31 121.27 1n4m h LEU 476 Ca 0.20 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1n4m h LEU 476 Cb 0.13 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1n4m h LEU 476 CO -0.02 0.69 0.00 0.18 -0.34 0.00 0.00 178.44 178.95 1n4m n LEU 477 N -4.73 0.40 -0.77 2.25 4.77 -0.42 -0.71 117.00 117.77 1n4m n LEU 477 Ca -0.06 0.65 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 1n4m n LEU 477 Cb 0.25 -0.65 0.06 0.00 -2.33 0.00 0.00 43.42 40.76 1n4m n LEU 477 CO 0.19 -0.65 0.50 0.59 -1.33 0.00 0.00 177.39 176.69 1n4m n ASN 478 N -1.99 2.61 -4.53 -1.43 5.03 -0.40 -4.81 115.26 109.74 1n4m n ASN 478 Ca 0.01 -1.80 -0.42 0.00 0.87 0.00 0.00 54.58 53.23 1n4m n ASN 478 Cb 0.10 0.18 -0.03 0.00 -1.02 0.00 0.00 39.78 39.00 1n4m n ASN 478 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1n4m s ASP 479 N -2.13 6.22 0.26 6.41 3.68 0.11 -4.90 116.67 126.32 1n4m s ASP 479 Ca 0.24 -0.50 -0.02 0.00 2.13 0.00 0.00 52.55 54.40 1n4m s ASP 479 Cb 0.19 -2.51 0.56 0.00 -1.45 0.00 0.00 42.92 39.70 1n4m s ASP 479 CO 0.39 -1.63 1.70 -1.13 0.13 0.00 0.00 175.17 174.63 1n4m h ASN 480 N 9.78 0.20 -0.57 -0.34 -0.00 -1.89 -1.27 115.58 121.49 1n4m h ASN 480 Ca -0.28 0.14 -0.06 0.00 -0.00 0.00 0.00 56.30 56.11 1n4m h ASN 480 Cb 1.06 0.15 -0.02 0.00 -0.00 0.00 0.00 38.32 39.50 1n4m h ASN 480 CO 1.22 0.01 0.14 0.40 -0.00 0.00 0.00 177.43 179.21 1n4m h ILE 481 N 0.37 1.25 0.09 2.57 1.08 -1.95 0.44 117.51 121.35 1n4m h ILE 481 Ca 0.47 -0.89 0.02 0.00 -0.39 0.00 0.00 64.86 64.06 1n4m h ILE 481 Cb 0.81 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.25 1n4m h ILE 481 CO -0.49 0.33 -0.48 0.15 -0.69 0.00 0.00 178.15 176.97 1n4m h PHE 482 N 0.82 -1.37 -0.41 1.37 3.57 -1.58 0.59 116.94 119.93 1n4m h PHE 482 Ca 0.18 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.79 1n4m h PHE 482 Cb 0.35 0.59 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 1n4m h PHE 482 CO 0.02 -0.56 -0.01 0.45 -2.23 0.00 0.00 178.31 175.99 1n4m h HIS 483 N -0.69 -0.05 -0.96 0.41 3.86 -1.03 0.38 115.15 117.08 1n4m h HIS 483 Ca 0.01 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1n4m h HIS 483 Cb 0.72 0.08 -0.05 0.00 1.06 0.00 0.00 27.41 29.22 1n4m h HIS 483 CO -0.43 -0.09 0.63 0.52 0.86 0.00 0.00 177.93 179.42 1n4m h MET 484 N 0.09 1.25 0.05 2.45 2.86 0.48 0.12 114.93 122.22 1n4m h MET 484 Ca 0.20 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1n4m h MET 484 Cb 0.29 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1n4m h MET 484 CO -0.35 0.83 -0.02 0.77 1.06 0.00 0.00 176.91 179.20 1n4m h SER 485 N 1.29 -0.05 -0.21 1.22 0.02 0.13 0.81 113.55 116.76 1n4m h SER 485 Ca 0.35 -0.44 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1n4m h SER 485 Cb -0.14 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.35 1n4m h SER 485 CO -0.08 0.42 -0.24 0.25 -1.14 0.00 0.00 176.83 176.04 1n4m h LEU 486 N -0.54 -0.75 -0.29 5.07 5.85 -0.13 -0.88 115.31 123.63 1n4m h LEU 486 Ca -0.01 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1n4m h LEU 486 Cb 0.48 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1n4m h LEU 486 CO 0.01 -0.28 0.11 0.25 -0.34 0.00 0.00 178.44 178.19 1n4m h LEU 487 N -0.26 0.12 -1.13 2.25 7.12 -0.74 -1.96 115.31 120.71 1n4m h LEU 487 Ca 0.12 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.23 1n4m h LEU 487 Cb 0.45 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.53 1n4m h LEU 487 CO -0.36 0.11 0.60 0.00 -0.13 0.00 0.00 178.44 178.65 1n4m h ALA 488 N 1.18 1.51 -0.32 1.25 0.00 -0.37 -2.09 119.26 120.42 1n4m h ALA 488 Ca 0.13 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1n4m h ALA 488 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1n4m h ALA 488 CO -0.13 0.35 -0.05 0.00 0.00 0.00 0.00 179.25 179.42 1n4m h ALA 490 N 0.82 0.46 -0.04 0.00 0.00 -1.10 -0.23 119.26 119.18 1n4m h ALA 490 Ca 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1n4m h ALA 490 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1n4m h ALA 490 CO 0.03 0.02 -0.12 -0.07 0.00 0.00 0.00 179.25 179.11 1n4m h LEU 491 N 0.44 0.05 -0.39 0.00 3.38 -1.30 -0.50 115.31 116.97 1n4m h LEU 491 Ca 0.12 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1n4m h LEU 491 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1n4m h LEU 491 CO -0.01 0.18 -0.15 -0.08 0.09 0.00 0.00 178.44 178.47 1n4m h GLU 492 N 0.05 0.79 -0.49 1.13 4.57 -0.04 1.30 114.58 121.90 1n4m h GLU 492 Ca 0.01 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1n4m h GLU 492 Cb 0.25 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1n4m h GLU 492 CO 0.02 0.95 0.32 0.28 -1.18 0.00 0.00 179.01 179.39 1n4m h VAL 493 N 0.60 1.13 -0.00 0.32 2.07 -0.14 0.21 116.25 120.44 1n4m h VAL 493 Ca 0.09 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1n4m h VAL 493 Cb 0.69 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1n4m h VAL 493 CO 0.05 0.13 -0.00 0.58 0.02 0.00 0.00 177.57 178.35 1n4m h VAL 494 N 0.66 1.26 -0.59 2.57 2.07 -0.62 0.74 116.25 122.35 1n4m h VAL 494 Ca 0.18 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.95 1n4m h VAL 494 Cb -0.06 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1n4m h VAL 494 CO -0.04 0.20 0.35 0.24 0.02 0.00 0.00 177.57 178.35 1n4m h MET 495 N -0.33 0.67 -0.32 1.57 2.07 0.18 -1.62 114.93 117.15 1n4m h MET 495 Ca 0.00 -0.04 -0.06 0.00 -2.07 0.00 0.00 59.70 57.53 1n4m h MET 495 Cb 0.33 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 29.90 1n4m h MET 495 CO 0.00 0.44 -0.04 0.00 1.07 0.00 0.00 176.91 178.38 1n4m h ALA 496 N 1.27 0.43 -0.05 6.32 0.00 -0.49 -0.51 119.26 126.22 1n4m h ALA 496 Ca 0.24 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1n4m h ALA 496 Cb 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1n4m h ALA 496 CO -0.11 0.23 0.14 0.00 0.00 0.00 0.00 179.25 179.51 1n4m h THR 497 N 0.37 0.17 -0.31 0.00 1.03 0.97 0.66 112.91 115.80 1n4m h THR 497 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.48 1n4m h THR 497 Cb 0.51 0.87 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 1n4m h THR 497 CO 0.02 0.00 0.00 -1.22 -0.01 0.00 0.00 175.52 174.31 1n4m n TYR 498 N -3.29 0.72 0.62 0.00 4.01 -0.65 -4.29 117.16 114.29 1n4m n TYR 498 Ca -0.01 -0.68 0.07 0.00 -0.16 0.00 0.00 57.90 57.12 1n4m n TYR 498 Cb 0.22 -0.17 0.35 0.00 -0.31 0.00 0.00 39.34 39.44 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 0.05 0.00 -2.70 7.72 2.88 0.23 -1.85 113.62 119.95 1n4m n SER 499 Ca 0.17 0.28 -0.25 0.00 -1.33 0.00 0.00 58.87 57.74 1n4m n SER 499 Cb 0.66 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.72 1n4m n SER 499 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1n4m n ARG 500 N -1.39 2.97 0.00 -1.46 5.12 -1.26 -4.86 116.66 115.78 1n4m n ARG 500 Ca 0.05 -4.42 0.00 0.00 -1.93 0.00 0.00 57.85 51.55 1n4m n ARG 500 Cb 0.15 -2.11 0.00 0.00 -1.16 0.00 0.00 32.46 29.34 1n4m n ARG 500 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1n4m n SER 501 N -0.31 0.00 -0.84 0.55 2.88 -0.77 -5.13 113.62 109.99 1n4m n SER 501 Ca 0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1n4m n SER 501 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1n4m n SER 501 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1n4m n THR 502 N -0.51 0.00 -0.94 2.46 5.66 -1.21 -5.16 114.28 114.57 1n4m n THR 502 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1n4m n THR 502 Cb 0.00 -1.08 0.00 0.00 -1.55 0.00 0.00 70.33 67.70 1n4m n THR 502 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1n4m n THR 510 N -0.37 0.00 -3.44 1.09 5.66 -1.26 -5.04 114.28 110.93 1n4m n THR 510 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1n4m n THR 510 Cb 0.00 1.14 -0.03 0.00 -1.55 0.00 0.00 70.33 69.89 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 0.00 6.78 -0.68 1.09 2.15 -1.26 -4.88 116.67 119.87 1n4m s ASP 511 Ca 0.00 -3.45 0.03 0.00 0.43 0.00 0.00 52.55 49.56 1n4m s ASP 511 Cb 0.00 -2.11 0.35 0.00 -0.30 0.00 0.00 42.92 40.86 1n4m s ASP 511 CO 0.00 -0.31 1.29 0.18 -0.17 0.00 0.00 175.17 176.16 1n4m n LEU 512 N 2.84 5.49 0.00 -1.34 4.77 -1.26 -5.02 117.00 122.49 1n4m n LEU 512 Ca 0.21 -5.43 -0.17 0.00 -0.03 0.00 0.00 56.01 50.59 1n4m n LEU 512 Cb 0.40 -0.73 0.16 0.00 -2.33 0.00 0.00 43.42 40.93 1n4m n LEU 512 CO 0.41 2.20 0.19 -0.24 -1.33 0.00 0.00 177.39 178.62 1n4m n SER 513 N -0.29 -3.19 0.04 -1.43 2.88 -1.26 -4.72 113.62 105.65 1n4m n SER 513 Ca 0.39 -0.48 -0.04 0.00 -1.33 0.00 0.00 58.87 57.40 1n4m n SER 513 Cb 0.40 -0.76 -0.02 0.00 -0.75 0.00 0.00 64.21 63.08 1n4m n SER 513 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1n4m h PHE 514 N -2.90 -0.37 -1.37 0.66 3.57 -1.99 -2.38 116.94 112.15 1n4m h PHE 514 Ca -0.22 0.01 0.46 0.00 3.53 0.00 0.00 57.97 61.75 1n4m h PHE 514 Cb 0.73 0.15 -0.13 0.00 2.79 0.00 0.00 35.95 39.49 1n4m h PHE 514 CO 0.00 -0.16 0.89 -1.35 -2.23 0.00 0.00 178.31 175.46 1n4m h PRO 515 N -0.21 0.05 -0.76 6.41 0.11 -1.99 -2.48 132.00 133.13 1n4m h PRO 515 Ca -0.01 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.20 1n4m h PRO 515 Cb 0.20 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 31.19 1n4m h PRO 515 CO -0.05 0.03 -0.34 1.87 -0.21 0.00 0.00 178.00 179.30 1n4m n TRP 516 N -4.68 -0.09 -0.09 0.65 -0.00 -0.90 0.70 117.44 113.04 1n4m n TRP 516 Ca 0.39 0.94 0.09 0.00 -0.00 0.00 0.00 57.50 58.91 1n4m n TRP 516 Cb 1.51 -0.71 0.45 0.00 -0.00 0.00 0.00 31.31 32.55 1n4m n TRP 516 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 177.69 178.66 1n4m h ILE 517 N 0.00 0.97 -0.20 5.87 6.09 -1.61 -1.55 117.51 127.08 1n4m h ILE 517 Ca 0.22 -0.18 -0.10 0.00 -1.37 0.00 0.00 64.86 63.43 1n4m h ILE 517 Cb 0.41 0.40 -0.01 0.00 0.47 0.00 0.00 36.82 38.08 1n4m h ILE 517 CO -0.74 0.10 -0.31 -0.07 -3.07 0.00 0.00 178.15 174.06 1n4m h LEU 518 N 0.53 0.40 0.00 2.19 3.38 0.10 -1.63 115.31 120.29 1n4m h LEU 518 Ca 0.26 -0.15 -0.26 0.00 0.09 0.00 0.00 57.88 57.82 1n4m h LEU 518 Cb 0.34 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1n4m h LEU 518 CO -0.08 0.70 -1.13 0.78 0.09 0.00 0.00 178.44 178.81 1n4m h ASN 519 N 0.34 0.57 -0.37 -0.43 2.35 -1.10 0.21 115.58 117.16 1n4m h ASN 519 Ca 0.05 -0.53 0.04 0.00 -0.55 0.00 0.00 56.30 55.31 1n4m h ASN 519 Cb 0.72 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 1n4m h ASN 519 CO 0.06 1.36 0.13 0.58 -1.65 0.00 0.00 177.43 177.91 1n4m h VAL 520 N 0.18 0.89 -0.04 2.81 2.07 -1.14 -2.72 116.25 118.30 1n4m h VAL 520 Ca -0.13 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1n4m h VAL 520 Cb 1.80 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1n4m h VAL 520 CO 0.20 0.05 0.00 0.18 0.02 0.00 0.00 177.57 178.02 1n4m n LEU 521 N -5.01 1.50 -3.74 2.57 4.32 -0.63 -4.88 117.00 111.13 1n4m n LEU 521 Ca 0.02 -0.53 -0.28 0.00 -0.02 0.00 0.00 56.01 55.19 1n4m n LEU 521 Cb 0.13 -0.02 0.02 0.00 -1.62 0.00 0.00 43.42 41.93 1n4m n LEU 521 CO 0.27 0.26 0.07 -3.20 -1.22 0.00 0.00 177.39 173.57 1n4m n ASN 522 N 0.18 -4.72 -4.84 -1.43 5.15 0.17 -4.94 115.26 104.83 1n4m n ASN 522 Ca 0.19 -0.67 -0.37 0.00 -0.60 0.00 0.00 54.58 53.13 1n4m n ASN 522 Cb 0.35 -3.79 -0.06 0.00 -0.53 0.00 0.00 39.78 35.74 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 -7.08 4.40 0.04 1.20 0.20 0.51 -5.02 118.68 112.92 1n4m s LEU 523 Ca 0.59 0.62 -0.25 0.00 0.69 0.00 0.00 54.13 55.79 1n4m s LEU 523 Cb -0.30 -2.27 -0.05 0.00 -0.43 0.00 0.00 46.19 43.14 1n4m s LEU 523 CO 0.73 0.34 0.76 -0.54 -0.29 0.00 0.00 176.35 177.35 1n4m s LYS 524 N -0.84 4.49 0.31 1.98 -0.14 -1.26 -4.61 119.74 119.67 1n4m s LYS 524 Ca 0.18 1.05 0.03 0.00 -1.36 0.00 0.00 55.97 55.87 1n4m s LYS 524 Cb -0.14 -3.37 0.80 0.00 -1.68 0.00 0.00 37.83 33.44 1n4m s LYS 524 CO 0.07 0.28 1.58 0.00 -0.76 0.00 0.00 175.35 176.51 1n4m h ALA 525 N 5.71 1.26 -0.58 5.17 0.00 -1.95 0.26 119.26 129.14 1n4m h ALA 525 Ca -0.44 0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1n4m h ALA 525 Cb 1.20 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1n4m h ALA 525 CO 0.71 -0.60 0.38 0.35 0.00 0.00 0.00 179.25 180.10 1n4m h PHE 526 N 0.03 0.73 -0.14 0.00 3.57 -1.90 0.04 116.94 119.27 1n4m h PHE 526 Ca 0.61 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 62.02 1n4m h PHE 526 Cb 1.30 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1n4m h PHE 526 CO -0.43 0.46 -0.33 -0.44 -2.23 0.00 0.00 178.31 175.33 1n4m h ASP 527 N 0.78 0.53 0.31 0.41 3.32 -0.90 -3.27 116.42 117.61 1n4m h ASP 527 Ca 0.21 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1n4m h ASP 527 Cb -0.09 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 1n4m h ASP 527 CO -0.05 1.01 -0.48 0.15 -1.72 0.00 0.00 179.24 178.16 1n4m h PHE 528 N 0.08 -1.34 -1.04 4.55 3.04 -0.84 -2.56 116.94 118.83 1n4m h PHE 528 Ca -0.00 0.02 0.40 0.00 3.98 0.00 0.00 57.97 62.37 1n4m h PHE 528 Cb 0.94 0.54 -0.17 0.00 2.56 0.00 0.00 35.95 39.83 1n4m h PHE 528 CO 0.10 -0.60 0.58 -0.92 -2.02 0.00 0.00 178.31 175.45 1n4m h TYR 529 N -0.84 0.82 0.00 0.41 3.20 -1.07 0.10 116.97 119.59 1n4m h TYR 529 Ca -0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1n4m h TYR 529 Cb 0.79 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1n4m h TYR 529 CO -0.32 -0.38 0.08 1.63 -1.64 0.00 0.00 178.16 177.52 1n4m n LYS 530 N -5.15 0.03 -0.07 1.82 5.02 -0.96 -2.16 118.16 116.68 1n4m n LYS 530 Ca 0.37 0.47 -0.07 0.00 -2.02 0.00 0.00 58.31 57.06 1n4m n LYS 530 Cb 1.24 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 34.46 1n4m n LYS 530 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1n4m n VAL 531 N -1.59 1.01 -0.21 -0.18 3.14 0.35 -4.76 118.33 116.09 1n4m n VAL 531 Ca -0.00 -0.65 -0.12 0.00 -2.96 0.00 0.00 64.34 60.60 1n4m n VAL 531 Cb 0.08 -0.52 -0.08 0.00 -1.06 0.00 0.00 33.84 32.26 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 0.02 -0.02 1.55 2.04 -1.53 0.53 117.51 120.10 1n4m h ILE 532 Ca -0.40 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1n4m h ILE 532 Cb 1.89 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1n4m h ILE 532 CO 0.02 0.00 -0.08 -0.08 0.00 0.00 0.00 178.15 178.02 1n4m h GLU 533 N -0.28 -0.12 -0.15 2.37 4.81 -1.87 0.40 114.58 119.75 1n4m h GLU 533 Ca 0.12 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1n4m h GLU 533 Cb 0.55 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1n4m h GLU 533 CO -0.69 -0.08 -0.06 0.77 -0.73 0.00 0.00 179.01 178.22 1n4m h SER 534 N -0.12 0.20 0.03 1.04 0.02 -1.76 -0.15 113.55 112.81 1n4m h SER 534 Ca 0.04 -0.03 -0.25 0.00 -0.84 0.00 0.00 61.79 60.71 1n4m h SER 534 Cb 0.17 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 62.68 1n4m h SER 534 CO -0.10 0.29 -0.99 0.15 -1.14 0.00 0.00 176.83 175.04 1n4m h PHE 535 N 0.21 0.94 -0.45 3.45 3.04 0.68 -2.14 116.94 122.68 1n4m h PHE 535 Ca 0.05 -0.53 -0.04 0.00 3.98 0.00 0.00 57.97 61.42 1n4m h PHE 535 Cb 0.25 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 1n4m h PHE 535 CO 0.00 1.37 0.11 0.82 -2.02 0.00 0.00 178.31 178.60 1n4m h ILE 536 N 0.25 1.23 0.00 1.41 2.04 0.20 -2.62 117.51 120.02 1n4m h ILE 536 Ca -0.13 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1n4m h ILE 536 Cb 1.67 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1n4m h ILE 536 CO 0.19 0.28 0.00 0.29 0.00 0.00 0.00 178.15 178.92 1n4m n LYS 537 N -4.52 0.13 0.00 2.37 5.02 -0.10 -2.80 118.16 118.25 1n4m n LYS 537 Ca 0.00 0.07 0.11 0.00 -2.02 0.00 0.00 58.31 56.48 1n4m n LYS 537 Cb 0.21 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1n4m n LYS 537 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n4m n ALA 538 N -1.42 4.32 -3.76 7.82 0.00 -0.80 -4.60 120.51 122.06 1n4m n ALA 538 Ca 0.08 -0.53 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 1n4m n ALA 538 Cb 0.25 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.95 1.78 0.00 0.00 2.56 -1.06 -4.81 118.70 114.22 1n4m s GLU 539 Ca 0.10 -2.64 0.12 0.00 0.00 0.00 0.00 54.97 52.55 1n4m s GLU 539 Cb 0.17 -2.73 0.63 0.00 2.00 0.00 0.00 34.13 34.19 1n4m s GLU 539 CO 0.80 -1.25 1.28 0.41 -0.56 0.00 0.00 175.26 175.94 1n4m n GLY 540 N 2.73 -0.65 1.09 -1.50 0.00 -1.26 -2.08 105.19 103.51 1n4m n GLY 540 Ca 0.16 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.26 3.23 -4.73 1.61 5.03 -1.26 -4.91 115.26 112.98 1n4m n ASN 541 Ca 0.06 -1.96 -0.35 0.00 0.87 0.00 0.00 54.58 53.20 1n4m n ASN 541 Cb 0.09 -0.25 0.08 0.00 -1.02 0.00 0.00 39.78 38.67 1n4m n ASN 541 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n4m s LEU 542 N -1.44 3.46 0.37 3.41 1.43 -0.88 -4.55 118.68 120.47 1n4m s LEU 542 Ca 0.39 2.46 -0.07 0.00 -1.03 0.00 0.00 54.13 55.88 1n4m s LEU 542 Cb 0.22 -4.60 -0.05 0.00 0.03 0.00 0.00 46.19 41.79 1n4m s LEU 542 CO 0.31 -2.08 0.68 0.42 0.23 0.00 0.00 176.35 175.91 1n4m s THR 543 N -1.71 4.91 0.18 5.49 -4.23 -1.26 -4.88 115.64 114.14 1n4m s THR 543 Ca 0.78 0.28 -0.13 0.00 -1.18 0.00 0.00 61.69 61.44 1n4m s THR 543 Cb -0.32 -3.76 0.08 0.00 1.34 0.00 0.00 72.50 69.84 1n4m s THR 543 CO 0.41 -0.51 1.75 0.03 -0.54 0.00 0.00 174.62 175.77 1n4m h ARG 544 N 1.21 0.34 -0.82 3.99 3.08 -1.94 0.53 114.38 120.78 1n4m h ARG 544 Ca -0.47 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 59.70 1n4m h ARG 544 Cb 1.19 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.11 1n4m h ARG 544 CO 0.64 0.23 0.54 0.93 -1.07 0.00 0.00 179.97 181.23 1n4m h GLU 545 N 0.35 0.54 0.22 0.04 3.07 -1.99 0.11 114.58 116.92 1n4m h GLU 545 Ca 0.23 -0.03 -0.34 0.00 -0.50 0.00 0.00 59.36 58.72 1n4m h GLU 545 Cb 0.24 -0.12 0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1n4m h GLU 545 CO -0.23 0.35 -1.59 1.98 -1.40 0.00 0.00 179.01 178.12 1n4m h MET 546 N 0.55 0.47 -0.56 2.33 4.05 -1.29 -2.85 114.93 117.64 1n4m h MET 546 Ca 0.40 -0.80 -0.04 0.00 -0.28 0.00 0.00 59.70 58.98 1n4m h MET 546 Cb 0.77 0.30 -0.03 0.00 -0.80 0.00 0.00 31.60 31.84 1n4m h MET 546 CO -0.16 1.38 0.19 0.82 0.23 0.00 0.00 176.91 179.37 1n4m h ILE 547 N 0.13 1.21 -0.50 1.77 2.04 0.68 -1.67 117.51 121.18 1n4m h ILE 547 Ca -0.29 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 1n4m h ILE 547 Cb 2.14 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1n4m h ILE 547 CO 0.23 0.27 0.15 0.50 0.00 0.00 0.00 178.15 179.30 1n4m h LYS 548 N 0.81 0.78 -0.44 2.37 3.11 -0.87 -0.13 116.57 122.20 1n4m h LYS 548 Ca 0.19 -0.17 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1n4m h LYS 548 Cb 0.21 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 1n4m h LYS 548 CO -0.01 0.73 0.22 1.25 -2.81 0.00 0.00 179.45 178.84 1n4m h HIS 549 N 0.67 0.61 -0.21 1.91 2.76 -1.13 0.37 115.15 120.14 1n4m h HIS 549 Ca 0.16 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1n4m h HIS 549 Cb 0.29 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 1n4m h HIS 549 CO 0.02 0.48 -0.13 -0.07 -1.30 0.00 0.00 177.93 176.93 1n4m h LEU 550 N 0.56 0.33 -0.48 0.26 3.38 -1.10 -0.55 115.31 117.72 1n4m h LEU 550 Ca 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1n4m h LEU 550 Cb 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1n4m h LEU 550 CO -0.02 0.50 0.23 -0.33 0.09 0.00 0.00 178.44 178.91 1n4m h GLU 551 N 0.33 0.69 -0.10 1.13 4.39 -0.22 -1.86 114.58 118.93 1n4m h GLU 551 Ca 0.06 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1n4m h GLU 551 Cb 0.44 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1n4m h GLU 551 CO 0.03 0.58 0.02 -0.09 -1.16 0.00 0.00 179.01 178.38 1n4m h ARG 552 N 0.63 0.17 -0.51 2.33 9.65 -0.38 -1.74 114.38 124.53 1n4m h ARG 552 Ca 0.17 -0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.10 1n4m h ARG 552 Cb 0.12 -0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 28.58 1n4m h ARG 552 CO -0.02 0.37 -0.15 0.00 2.80 0.00 0.00 179.97 182.96 1n4m h GLU 554 N -0.03 0.90 -0.30 0.00 4.81 -1.13 -0.88 114.58 117.95 1n4m h GLU 554 Ca 0.24 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.24 1n4m h GLU 554 Cb 0.41 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1n4m h GLU 554 CO -0.54 0.60 -0.53 0.45 -0.73 0.00 0.00 179.01 178.25 1n4m h HIS 555 N 0.93 1.11 -0.75 0.92 3.86 0.15 -1.68 115.15 119.69 1n4m h HIS 555 Ca 0.36 -0.39 0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1n4m h HIS 555 Cb 0.22 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.42 1n4m h HIS 555 CO -0.00 1.22 0.44 0.00 0.86 0.00 0.00 177.93 180.45 1n4m h ARG 556 N 0.68 0.78 -0.48 2.45 3.08 0.08 0.40 114.38 121.36 1n4m h ARG 556 Ca 0.02 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1n4m h ARG 556 Cb 1.14 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1n4m h ARG 556 CO 0.12 0.52 0.13 0.82 -1.07 0.00 0.00 179.97 180.48 1n4m h ILE 557 N 0.80 1.21 -0.26 2.04 2.04 -1.05 -1.74 117.51 120.55 1n4m h ILE 557 Ca 0.34 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 1n4m h ILE 557 Cb 0.20 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1n4m h ILE 557 CO -0.18 0.27 -0.22 0.24 0.00 0.00 0.00 178.15 178.26 1n4m h MET 558 N 0.71 0.61 -0.11 2.37 2.86 -0.08 -0.97 114.93 120.31 1n4m h MET 558 Ca 0.16 -0.30 -0.16 0.00 -2.06 0.00 0.00 59.70 57.34 1n4m h MET 558 Cb 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1n4m h MET 558 CO -0.00 0.90 -0.61 1.05 1.06 0.00 0.00 176.91 179.31 1n4m h GLU 559 N 0.33 0.36 0.00 1.72 4.11 -0.05 -3.45 114.58 117.61 1n4m h GLU 559 Ca 0.05 -0.25 0.00 0.00 0.07 0.00 0.00 59.36 59.23 1n4m h GLU 559 Cb 0.76 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1n4m h GLU 559 CO 0.06 0.86 0.00 -1.13 0.07 0.00 0.00 179.01 178.86 1n4m n SER 560 N -3.90 0.00 -0.33 3.06 3.41 -0.68 -0.17 113.62 115.01 1n4m n SER 560 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.67 1n4m n SER 560 Cb 0.63 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.84 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 0.73 0.00 1.04 3.38 -1.55 0.27 115.31 119.19 1n4m h LEU 561 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n4m h LEU 561 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1n4m h LEU 561 CO 0.00 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1n4m n ALA 562 N -2.37 2.37 0.71 1.53 0.00 -0.37 -3.14 120.51 119.24 1n4m n ALA 562 Ca 0.20 -0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1n4m n ALA 562 Cb 0.46 -1.45 0.13 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.29 0.15 -1.69 0.00 7.02 0.08 -4.60 117.44 117.11 1n4m n TRP 563 Ca 0.13 -0.08 -0.35 0.00 -1.02 0.00 0.00 57.50 56.17 1n4m n TRP 563 Cb 0.22 -0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.18 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 -1.70 3.47 0.59 -0.99 1.43 -1.16 -0.71 118.68 119.61 1n4m s LEU 564 Ca 0.29 2.39 0.30 0.00 -1.03 0.00 0.00 54.13 56.08 1n4m s LEU 564 Cb 0.19 -4.59 1.79 0.00 0.03 0.00 0.00 46.19 43.61 1n4m s LEU 564 CO 0.28 -1.97 2.21 0.28 0.23 0.00 0.00 176.35 177.38 1n4m h SER 565 N 0.23 0.00 -0.23 2.29 0.02 -1.92 0.76 113.55 114.71 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 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1n4m h SER 565 CO 0.52 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.31 1n4m n ASP 566 N -3.81 1.37 -4.69 3.07 5.75 -1.26 -4.87 116.55 112.11 1n4m n ASP 566 Ca -0.02 -2.03 -0.39 0.00 -0.01 0.00 0.00 54.79 52.34 1n4m n ASP 566 Cb 0.15 -0.20 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 1n4m n ASP 566 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1n4m s SER 567 N -0.91 6.67 0.56 -1.12 0.15 0.26 -4.94 113.70 114.36 1n4m s SER 567 Ca 0.16 0.81 0.27 0.00 0.70 0.00 0.00 55.95 57.88 1n4m s SER 567 Cb 0.09 -2.31 1.45 0.00 -1.71 0.00 0.00 66.02 63.54 1n4m s SER 567 CO 0.10 -0.14 1.80 1.55 1.20 0.00 0.00 173.24 177.75 1n4m h PRO 568 N 7.16 0.00 -0.49 5.44 0.13 -1.88 -2.39 132.00 139.97 1n4m h PRO 568 Ca -0.36 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.87 1n4m h PRO 568 Cb 1.16 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 1n4m h PRO 568 CO 0.75 0.00 -0.18 1.25 -0.23 0.00 0.00 178.00 179.59 1n4m h LEU 569 N 0.00 -0.63 -1.10 1.56 6.46 -1.92 -0.72 115.31 118.96 1n4m h LEU 569 Ca 0.00 0.17 0.13 0.00 -0.12 0.00 0.00 57.88 58.06 1n4m h LEU 569 Cb 0.53 0.37 -0.08 0.00 -0.73 0.00 0.00 40.66 40.75 1n4m h LEU 569 CO 0.00 -0.21 0.61 -0.26 -0.62 0.00 0.00 178.44 177.96 1n4m h PHE 570 N -0.07 1.04 0.00 1.25 0.04 -1.74 0.58 116.94 118.04 1n4m h PHE 570 Ca 0.23 0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.86 1n4m h PHE 570 Cb 0.43 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1n4m h PHE 570 CO -0.46 0.40 -0.83 -0.44 -0.60 0.00 0.00 178.31 176.38 1n4m h ASP 571 N 0.89 0.10 -0.44 2.17 3.32 -1.49 0.19 116.42 121.16 1n4m h ASP 571 Ca 0.48 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 1n4m h ASP 571 Cb 0.57 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1n4m h ASP 571 CO -0.25 0.88 0.10 0.25 -1.72 0.00 0.00 179.24 178.50 1n4m h LEU 572 N 0.04 0.68 -0.26 1.55 5.85 0.42 0.19 115.31 123.78 1n4m h LEU 572 Ca -0.02 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 1n4m h LEU 572 Cb 1.44 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1n4m h LEU 572 CO 0.12 0.74 -0.12 0.40 -0.34 0.00 0.00 178.44 179.23 1n4m h ILE 573 N 0.59 1.30 -0.13 4.05 2.04 0.17 -1.85 117.51 123.68 1n4m h ILE 573 Ca 0.14 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.84 1n4m h ILE 573 Cb 0.33 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 1n4m h ILE 573 CO 0.00 0.38 -0.20 0.50 0.00 0.00 0.00 178.15 178.83 1n4m h LYS 574 N 0.27 -0.25 0.01 2.37 3.11 -0.29 0.27 116.57 122.07 1n4m h LYS 574 Ca 0.06 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.93 1n4m h LYS 574 Cb 0.63 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 1n4m h LYS 574 CO 0.04 -0.17 -0.09 1.96 -2.81 0.00 0.00 179.45 178.38 1n4m h GLN 575 N -0.26 -0.16 0.26 1.90 4.20 -0.57 -2.79 115.11 117.69 1n4m h GLN 575 Ca 0.10 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1n4m h GLN 575 Cb 0.40 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1n4m h GLN 575 CO -0.28 -0.10 -0.29 1.03 -0.67 0.00 0.00 178.83 178.52 1n4m h SER 576 N -0.16 -0.81 0.00 1.46 0.87 -0.90 1.15 113.55 115.16 1n4m h SER 576 Ca 0.03 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1n4m h SER 576 Cb 0.20 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1n4m h SER 576 CO -0.09 -0.41 0.07 0.29 -0.53 0.00 0.00 176.83 176.16 1n4m n LYS 577 N -5.41 0.00 0.00 2.24 4.76 0.92 -3.34 118.16 117.33 1n4m n LYS 577 Ca -0.08 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1n4m n LYS 577 Cb 0.32 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1n4m n LYS 577 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1n4m n THR 578 N -1.06 0.00 -1.48 -0.18 -1.04 0.32 -4.88 114.28 105.96 1n4m n THR 578 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1n4m n THR 578 Cb 0.07 -0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.48 1n4m n THR 578 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1n4m n ARG 579 N 0.00 0.19 -1.46 -2.82 3.00 0.37 -4.84 116.66 111.11 1n4m n ARG 579 Ca 0.00 -1.11 -0.36 0.00 -0.00 0.00 0.00 57.85 56.38 1n4m n ARG 579 Cb 0.00 -3.23 0.07 0.00 0.00 0.00 0.00 32.46 29.30 1n4m n ARG 579 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1n4m n GLU 580 N 7.58 0.64 -3.11 -0.14 1.02 -1.21 -4.24 120.64 121.17 1n4m n GLU 580 Ca 0.38 0.27 -0.08 0.00 -0.02 0.00 0.00 57.16 57.71 1n4m n GLU 580 Cb 0.44 -2.19 0.04 0.00 -0.02 0.00 0.00 31.44 29.71 1n4m n GLU 580 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n4m n GLY 581 N 1.19 -1.15 0.91 0.62 0.00 -1.26 -5.04 105.19 100.46 1n4m n GLY 581 Ca 0.13 0.51 -0.03 0.00 0.00 0.00 0.00 46.02 46.64 1n4m n GLY 581 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n4m n LYS 643 N -2.57 0.25 -2.76 1.61 5.02 -1.26 -5.08 118.16 113.36 1n4m n LYS 643 Ca -0.04 -0.61 -0.07 0.00 -2.02 0.00 0.00 58.31 55.57 1n4m n LYS 643 Cb 0.57 0.69 0.01 0.00 -0.02 0.00 0.00 35.03 36.27 1n4m n LYS 643 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1n4m n SER 644 N -1.44 -7.58 -0.00 4.39 2.88 -1.26 -4.75 113.62 105.85 1n4m n SER 644 Ca -0.01 0.52 0.13 0.00 -1.33 0.00 0.00 58.87 58.18 1n4m n SER 644 Cb 0.15 -5.12 0.57 0.00 -0.75 0.00 0.00 64.21 59.06 1n4m n SER 644 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n4m h THR 645 N 1.89 0.87 -0.08 2.46 1.03 -2.00 -1.90 112.91 115.18 1n4m h THR 645 Ca 0.00 -0.08 -0.22 0.00 -0.01 0.00 0.00 66.41 66.10 1n4m h THR 645 Cb 0.92 0.62 0.01 0.00 -1.07 0.00 0.00 68.15 68.62 1n4m h THR 645 CO 0.19 0.04 -0.84 0.77 -0.01 0.00 0.00 175.52 175.67 1n4m h SER 646 N 0.23 0.76 -0.10 0.00 4.64 -1.99 -2.61 113.55 114.48 1n4m h SER 646 Ca 0.22 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1n4m h SER 646 Cb 0.57 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1n4m h SER 646 CO -0.04 1.32 0.06 0.25 -0.87 0.00 0.00 176.83 177.55 1n4m h LEU 647 N 0.40 0.11 -0.78 5.97 5.85 -1.70 0.90 115.31 126.06 1n4m h LEU 647 Ca -0.07 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1n4m h LEU 647 Cb 1.46 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 1n4m h LEU 647 CO 0.16 0.09 0.48 0.77 -0.34 0.00 0.00 178.44 179.59 1n4m h SER 648 N 0.13 0.93 -0.37 1.25 4.64 -1.52 0.37 113.55 118.99 1n4m h SER 648 Ca 0.04 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 1n4m h SER 648 Cb -0.01 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1n4m h SER 648 CO -0.01 0.71 -0.23 0.25 -0.87 0.00 0.00 176.83 176.69 1n4m h LEU 649 N 1.06 0.89 -0.76 5.97 5.85 -1.21 -0.11 115.31 127.00 1n4m h LEU 649 Ca 0.28 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1n4m h LEU 649 Cb -0.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1n4m h LEU 649 CO -0.05 1.08 0.34 0.15 -0.34 0.00 0.00 178.44 179.61 1n4m h PHE 650 N 0.75 1.13 -0.10 1.25 3.57 -0.19 -2.06 116.94 121.29 1n4m h PHE 650 Ca 0.10 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1n4m h PHE 650 Cb 0.77 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1n4m h PHE 650 CO 0.04 0.85 -0.13 1.88 -2.23 0.00 0.00 178.31 178.72 1n4m h TYR 651 N 1.09 0.32 0.00 0.41 0.05 0.18 0.97 116.97 119.99 1n4m h TYR 651 Ca 0.26 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 1n4m h TYR 651 Cb 0.17 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 1n4m h TYR 651 CO 0.01 0.72 -0.01 1.57 -1.05 0.00 0.00 178.16 179.40 1n4m h LYS 652 N -0.16 0.00 0.17 4.88 2.10 -0.99 0.11 116.57 122.68 1n4m h LYS 652 Ca 0.01 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.35 1n4m h LYS 652 Cb 0.68 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.02 1n4m h LYS 652 CO 0.03 0.01 -1.48 -0.22 -2.00 0.00 0.00 179.45 175.79 1n4m h LYS 653 N 0.00 0.36 -0.20 0.07 3.64 -1.13 -2.85 116.57 116.46 1n4m h LYS 653 Ca -0.00 -0.61 -0.04 0.00 -1.27 0.00 0.00 60.65 58.73 1n4m h LYS 653 Cb 0.04 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1n4m h LYS 653 CO 0.00 1.26 -0.02 0.28 -2.27 0.00 0.00 179.45 178.71 1n4m h VAL 654 N 0.10 1.27 -0.07 2.00 2.07 0.11 -2.58 116.25 119.14 1n4m h VAL 654 Ca -0.23 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.38 1n4m h VAL 654 Cb 2.06 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 1n4m h VAL 654 CO 0.21 0.28 -0.05 1.88 0.02 0.00 0.00 177.57 179.91 1n4m h TYR 655 N 0.11 -0.12 -0.66 1.57 0.05 -1.00 0.25 116.97 117.18 1n4m h TYR 655 Ca 0.06 0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.95 1n4m h TYR 655 Cb 0.43 0.06 -0.08 0.00 1.01 0.00 0.00 36.73 38.15 1n4m h TYR 655 CO 0.04 -0.08 0.26 -0.09 -1.05 0.00 0.00 178.16 177.24 1n4m h ARG 656 N -0.05 0.43 -0.16 4.88 9.65 -1.49 0.52 114.38 128.15 1n4m h ARG 656 Ca 0.05 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1n4m h ARG 656 Cb 0.12 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1n4m h ARG 656 CO -0.11 0.28 -0.05 1.25 2.80 0.00 0.00 179.97 184.15 1n4m h LEU 657 N 0.44 0.31 -0.61 3.80 5.85 -1.01 -1.97 115.31 122.12 1n4m h LEU 657 Ca 0.34 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1n4m h LEU 657 Cb 0.44 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1n4m h LEU 657 CO -0.33 0.62 0.36 0.00 -0.34 0.00 0.00 178.44 178.75 1n4m h ALA 658 N 0.70 0.78 -0.22 1.25 0.00 0.14 -1.79 119.26 120.11 1n4m h ALA 658 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n4m h ALA 658 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1n4m h ALA 658 CO 0.02 0.26 0.14 -0.92 0.00 0.00 0.00 179.25 178.75 1n4m h TYR 659 N 0.82 0.29 -0.26 0.00 5.03 0.05 0.19 116.97 123.09 1n4m h TYR 659 Ca 0.22 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 1n4m h TYR 659 Cb -0.01 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 1n4m h TYR 659 CO -0.02 0.21 0.08 1.25 -1.32 0.00 0.00 178.16 178.36 1n4m h LEU 660 N 0.29 0.33 -0.02 2.82 5.85 -1.17 0.48 115.31 123.89 1n4m h LEU 660 Ca 0.08 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1n4m h LEU 660 Cb 0.00 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1n4m h LEU 660 CO -0.02 0.33 -0.04 0.03 -0.34 0.00 0.00 178.44 178.40 1n4m h ARG 661 N 0.36 0.06 -0.20 1.25 3.08 -0.53 -2.85 114.38 115.56 1n4m h ARG 661 Ca 0.09 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1n4m h ARG 661 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1n4m h ARG 661 CO -0.01 0.61 -0.01 1.25 -1.07 0.00 0.00 179.97 180.74 1n4m h LEU 662 N -0.48 -0.10 -0.79 3.04 7.12 -0.13 -2.02 115.31 121.96 1n4m h LEU 662 Ca 0.00 0.05 0.17 0.00 0.13 0.00 0.00 57.88 58.23 1n4m h LEU 662 Cb 0.60 0.09 -0.11 0.00 -0.53 0.00 0.00 40.66 40.71 1n4m h LEU 662 CO 0.01 -0.02 0.25 -1.13 -0.13 0.00 0.00 178.44 177.42 1n4m h ASN 663 N 0.05 0.13 -0.16 1.25 -0.73 -0.06 0.66 115.58 116.72 1n4m h ASN 663 Ca 0.09 0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.39 1n4m h ASN 663 Cb 0.12 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1n4m h ASN 663 CO -0.17 -0.01 0.03 0.74 -0.37 0.00 0.00 177.43 177.65 1n4m h THR 664 N 0.33 1.22 -0.95 -3.57 2.02 -1.13 -0.75 112.91 110.07 1n4m h THR 664 Ca 0.46 -0.69 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1n4m h THR 664 Cb 0.79 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 68.51 1n4m h THR 664 CO -0.51 0.21 0.62 -0.07 0.37 0.00 0.00 175.52 176.14 1n4m h LEU 665 N 0.06 1.03 0.72 2.58 -0.00 -0.87 -1.66 115.31 117.16 1n4m h LEU 665 Ca 0.05 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 1n4m h LEU 665 Cb 0.29 -0.24 0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1n4m h LEU 665 CO 0.00 0.70 -0.35 0.00 -0.00 0.00 0.00 178.44 178.80 1n4m h GLU 667 N -1.12 0.02 0.22 0.00 4.39 -0.93 0.81 114.58 117.97 1n4m h GLU 667 Ca -0.10 -0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.27 1n4m h GLU 667 Cb 0.77 -0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1n4m h GLU 667 CO 0.16 0.01 -1.52 -0.09 -1.16 0.00 0.00 179.01 176.42 1n4m h ARG 668 N 0.02 0.46 0.00 2.33 2.43 -0.86 -3.36 114.38 115.39 1n4m h ARG 668 Ca 0.48 -0.78 -0.30 0.00 -0.81 0.00 0.00 59.98 58.56 1n4m h ARG 668 Cb 1.88 0.29 -0.06 0.00 -0.42 0.00 0.00 29.97 31.67 1n4m h ARG 668 CO -0.02 1.38 -2.22 1.28 -1.51 0.00 0.00 179.97 178.88 1n4m n LEU 669 N -3.73 0.00 -2.25 3.80 4.32 0.12 -4.70 117.00 114.57 1n4m n LEU 669 Ca -0.20 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.59 1n4m n LEU 669 Cb 1.06 0.41 0.02 0.00 -1.62 0.00 0.00 43.42 43.29 1n4m n LEU 669 CO 0.56 0.41 0.14 0.18 -1.22 0.00 0.00 177.39 177.45 1n4m n LEU 670 N -2.63 4.20 0.25 2.23 4.77 0.27 -4.77 117.00 121.31 1n4m n LEU 670 Ca -0.27 -4.49 0.08 0.00 -0.03 0.00 0.00 56.01 51.30 1n4m n LEU 670 Cb 1.04 -0.19 0.61 0.00 -2.33 0.00 0.00 43.42 42.55 1n4m n LEU 670 CO 0.39 1.93 0.98 0.77 -1.33 0.00 0.00 177.39 180.12 1n4m h SER 671 N 2.34 0.00 1.28 -1.43 4.64 -1.70 -0.97 113.55 117.71 1n4m h SER 671 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1n4m h SER 671 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1n4m h SER 671 CO 0.67 0.11 0.00 -0.62 -0.87 0.00 0.00 176.83 176.11 1n4m n GLU 672 N -4.25 0.23 -3.24 4.77 4.71 -1.26 -4.16 120.64 117.43 1n4m n GLU 672 Ca -0.03 0.24 -0.25 0.00 -0.01 0.00 0.00 57.16 57.12 1n4m n GLU 672 Cb 0.19 -1.80 -0.07 0.00 -1.01 0.00 0.00 31.44 28.75 1n4m n GLU 672 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1n4m n HIS 673 N -2.20 0.47 0.27 -0.32 8.25 -0.37 -4.95 115.22 116.37 1n4m n HIS 673 Ca 0.05 -3.68 0.15 0.00 -0.26 0.00 0.00 57.72 53.98 1n4m n HIS 673 Cb 0.38 -0.38 0.81 0.00 1.12 0.00 0.00 29.99 31.91 1n4m n HIS 673 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1n4m h PRO 674 N 4.07 0.00 -0.10 -0.41 0.11 -1.71 -1.75 132.00 132.21 1n4m h PRO 674 Ca 0.10 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 1n4m h PRO 674 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1n4m h PRO 674 CO 0.54 0.00 -0.48 1.05 -0.21 0.00 0.00 178.00 178.90 1n4m h GLU 675 N 0.00 0.25 -0.62 1.05 9.09 -1.92 -3.25 114.58 119.18 1n4m h GLU 675 Ca 0.00 -0.14 0.03 0.00 0.05 0.00 0.00 59.36 59.30 1n4m h GLU 675 Cb 0.30 0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 27.37 1n4m h GLU 675 CO 0.00 0.68 0.38 -0.07 0.05 0.00 0.00 179.01 180.05 1n4m h LEU 676 N 0.20 0.61 -0.79 3.06 3.38 -1.67 -3.17 115.31 116.94 1n4m h LEU 676 Ca 0.01 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.12 1n4m h LEU 676 Cb 0.93 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.41 1n4m h LEU 676 CO 0.08 0.43 -0.31 -0.08 0.09 0.00 0.00 178.44 178.64 1n4m h GLU 677 N 0.74 -0.06 -0.08 1.13 4.81 -1.75 0.37 114.58 119.75 1n4m h GLU 677 Ca 0.25 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1n4m h GLU 677 Cb 0.03 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1n4m h GLU 677 CO -0.10 -0.04 -0.17 1.25 -0.73 0.00 0.00 179.01 179.22 1n4m h HIS 678 N -0.06 0.13 -0.01 0.92 2.76 -1.76 -0.03 115.15 117.10 1n4m h HIS 678 Ca 0.32 -0.01 -0.26 0.00 -2.20 0.00 0.00 60.37 58.22 1n4m h HIS 678 Cb 0.59 -0.04 0.02 0.00 1.55 0.00 0.00 27.41 29.53 1n4m h HIS 678 CO -0.72 0.29 -1.03 0.82 -1.30 0.00 0.00 177.93 176.00 1n4m h ILE 679 N 0.12 1.29 0.21 6.26 2.04 -0.48 -2.10 117.51 124.85 1n4m h ILE 679 Ca 0.02 -2.25 -0.01 0.00 1.00 0.00 0.00 64.86 63.62 1n4m h ILE 679 Cb 0.37 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1n4m h ILE 679 CO 0.02 0.70 -0.10 0.40 0.00 0.00 0.00 178.15 179.17 1n4m h ILE 680 N 0.39 0.85 -0.99 -0.67 2.04 -0.55 -2.25 117.51 116.33 1n4m h ILE 680 Ca -0.12 -0.33 0.20 0.00 1.00 0.00 0.00 64.86 65.60 1n4m h ILE 680 Cb 1.68 1.05 -0.11 0.00 -0.74 0.00 0.00 36.82 38.70 1n4m h ILE 680 CO 0.20 0.08 0.60 -0.25 0.00 0.00 0.00 178.15 178.77 1n4m h TRP 681 N -0.45 1.04 -0.38 1.37 2.91 -1.04 0.17 115.95 119.56 1n4m h TRP 681 Ca -0.03 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.05 1n4m h TRP 681 Cb 0.34 -0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 28.65 1n4m h TRP 681 CO -0.02 0.20 0.20 1.15 -1.03 0.00 0.00 178.44 178.94 1n4m h THR 682 N 0.72 0.99 -0.06 2.65 2.02 -0.87 0.49 112.91 118.84 1n4m h THR 682 Ca 0.59 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.62 1n4m h THR 682 Cb 0.95 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1n4m h THR 682 CO -0.40 0.07 0.01 0.25 0.37 0.00 0.00 175.52 175.82 1n4m h LEU 683 N 0.40 0.10 -1.04 2.58 6.46 -0.51 -1.19 115.31 122.11 1n4m h LEU 683 Ca 0.16 -0.25 0.06 0.00 -0.12 0.00 0.00 57.88 57.73 1n4m h LEU 683 Cb 0.06 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 39.90 1n4m h LEU 683 CO -0.11 0.32 0.64 0.15 -0.62 0.00 0.00 178.44 178.82 1n4m h PHE 684 N -0.13 1.17 -0.18 1.25 3.57 -0.43 -1.20 116.94 121.00 1n4m h PHE 684 Ca 0.02 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.36 1n4m h PHE 684 Cb 0.26 -0.39 0.01 0.00 2.79 0.00 0.00 35.95 38.62 1n4m h PHE 684 CO 0.01 0.62 -0.62 0.37 -2.23 0.00 0.00 178.31 176.46 1n4m h GLN 685 N 1.16 0.74 -0.49 1.11 -0.00 0.15 -2.74 115.11 115.04 1n4m h GLN 685 Ca 0.42 -0.56 -0.09 0.00 -0.00 0.00 0.00 58.65 58.42 1n4m h GLN 685 Cb 0.14 0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.70 1n4m h GLN 685 CO -0.16 1.18 -0.07 0.45 0.00 0.00 0.00 178.83 180.23 1n4m h HIS 686 N 0.46 0.96 0.41 3.99 3.86 -0.84 -2.28 115.15 121.70 1n4m h HIS 686 Ca -0.03 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 58.99 1n4m h HIS 686 Cb 1.25 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.48 1n4m h HIS 686 CO 0.09 0.90 -0.20 1.15 0.86 0.00 0.00 177.93 180.74 1n4m h THR 687 N 0.80 0.60 -0.99 2.45 2.02 -1.23 0.41 112.91 116.96 1n4m h THR 687 Ca 0.14 -0.20 0.19 0.00 0.77 0.00 0.00 66.41 67.31 1n4m h THR 687 Cb 0.57 0.70 -0.10 0.00 -1.74 0.00 0.00 68.15 67.59 1n4m h THR 687 CO 0.04 0.04 0.61 -0.07 0.37 0.00 0.00 175.52 176.51 1n4m h LEU 688 N -0.66 0.70 0.08 2.58 3.38 -1.47 0.63 115.31 120.54 1n4m h LEU 688 Ca -0.06 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1n4m h LEU 688 Cb 0.48 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1n4m h LEU 688 CO 0.09 0.26 -0.81 -0.61 0.09 0.00 0.00 178.44 177.45 1n4m h GLN 689 N 0.68 0.18 -0.01 1.13 4.15 -1.05 -3.33 115.11 116.87 1n4m h GLN 689 Ca 0.55 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1n4m h GLN 689 Cb 0.97 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1n4m h GLN 689 CO -0.33 1.15 -0.41 0.09 -1.93 0.00 0.00 178.83 177.40 1n4m n ASN 690 N -4.23 1.30 -1.75 -0.69 5.03 0.14 -4.44 115.26 110.62 1n4m n ASN 690 Ca -0.18 -1.15 -0.03 0.00 0.87 0.00 0.00 54.58 54.10 1n4m n ASN 690 Cb 0.74 0.62 0.07 0.00 -1.02 0.00 0.00 39.78 40.19 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 -0.48 1.60 0.21 3.52 -0.58 0.21 -4.87 120.64 120.26 1n4m n GLU 691 Ca 0.05 -3.17 0.18 0.00 -0.42 0.00 0.00 57.16 53.80 1n4m n GLU 691 Cb 0.29 -1.29 0.78 0.00 -0.57 0.00 0.00 31.44 30.64 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 1.68 0.00 0.00 -0.32 -0.00 -1.55 0.14 116.97 116.92 1n4m h TYR 692 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.69 1n4m h TYR 692 Cb 1.45 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.17 1n4m h TYR 692 CO 0.54 0.00 -0.08 0.93 -0.00 0.00 0.00 178.16 179.55 1n4m h GLU 693 N 0.00 0.00 0.00 0.10 4.39 -1.89 0.14 114.58 117.32 1n4m h GLU 693 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1n4m h GLU 693 Cb 0.88 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1n4m h GLU 693 CO -0.00 0.08 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.81 1n4m h LEU 694 N 0.00 0.00 0.00 1.33 -0.00 -1.07 -0.54 115.31 115.04 1n4m h LEU 694 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 1n4m h LEU 694 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1n4m h LEU 694 CO 0.01 0.05 -0.38 0.24 -0.00 0.00 0.00 178.44 178.36 1n4m h MET 695 N 0.00 0.00 -6.14 1.13 2.86 -0.88 -3.42 114.93 108.48 1n4m h MET 695 Ca -0.00 0.00 -0.71 0.00 -2.06 0.00 0.00 59.70 56.93 1n4m h MET 695 Cb 0.12 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.79 1n4m h MET 695 CO 0.01 0.22 1.02 -2.13 1.06 0.00 0.00 176.91 177.09 1n4m n ARG 696 N -3.10 1.29 -1.38 1.72 0.63 -0.21 0.14 116.66 115.74 1n4m n ARG 696 Ca 0.02 0.46 -0.13 0.00 -0.92 0.00 0.00 57.85 57.28 1n4m n ARG 696 Cb 0.63 -2.23 -0.06 0.00 0.45 0.00 0.00 32.46 31.26 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 6.31 -5.47 -3.77 6.15 8.00 0.11 -4.94 116.55 122.93 1n4m n ASP 697 Ca 0.29 0.32 -0.21 0.00 0.71 0.00 0.00 54.79 55.90 1n4m n ASP 697 Cb 0.17 -4.12 -0.04 0.00 -0.02 0.00 0.00 41.12 37.11 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 -1.41 1.16 -5.14 -1.24 1.74 0.36 -4.75 116.66 107.37 1n4m n ARG 698 Ca -0.13 -2.40 -0.32 0.00 -0.77 0.00 0.00 57.85 54.23 1n4m n ARG 698 Cb 0.58 0.58 -0.15 0.00 -1.02 0.00 0.00 32.46 32.45 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 -2.13 2.52 0.30 -1.55 5.65 -1.26 -4.64 115.29 114.18 1n4m s HIS 699 Ca 0.03 -0.56 0.00 0.00 0.25 0.00 0.00 55.06 54.78 1n4m s HIS 699 Cb -0.00 -1.62 0.71 0.00 -1.18 0.00 0.00 32.58 30.48 1n4m s HIS 699 CO 0.02 -0.11 1.58 -0.07 -0.65 0.00 0.00 174.74 175.50 1n4m h LEU 700 N 5.92 -0.50 -1.88 8.88 -0.00 -0.87 0.22 115.31 127.07 1n4m h LEU 700 Ca -0.35 0.28 -0.02 0.00 -0.00 0.00 0.00 57.88 57.78 1n4m h LEU 700 Cb 1.17 0.49 -0.00 0.00 -0.00 0.00 0.00 40.66 42.31 1n4m h LEU 700 CO 0.49 -0.34 -0.08 0.44 -0.00 0.00 0.00 178.44 178.94 1n4m h ASP 701 N 0.02 0.00 0.16 -0.43 3.32 -1.96 -0.88 116.42 116.65 1n4m h ASP 701 Ca 0.58 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.43 1n4m h ASP 701 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1n4m h ASP 701 CO -0.91 0.08 -0.78 1.56 -1.72 0.00 0.00 179.24 177.47 1n4m h GLN 702 N 0.00 0.51 -0.13 3.56 4.20 -0.88 0.12 115.11 122.49 1n4m h GLN 702 Ca -0.00 -0.44 -0.17 0.00 0.06 0.00 0.00 58.65 58.10 1n4m h GLN 702 Cb 0.37 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1n4m h GLN 702 CO 0.01 1.07 -0.63 0.82 -0.67 0.00 0.00 178.83 179.43 1n4m h ILE 703 N 0.34 1.34 0.67 2.54 1.08 -1.29 -1.11 117.51 121.08 1n4m h ILE 703 Ca -0.05 -1.94 -0.03 0.00 -0.39 0.00 0.00 64.86 62.45 1n4m h ILE 703 Cb 1.38 1.92 0.01 0.00 -3.07 0.00 0.00 36.82 37.06 1n4m h ILE 703 CO 0.14 0.59 -0.32 -0.03 -0.69 0.00 0.00 178.15 177.84 1n4m h MET 704 N 0.35 -0.87 -0.63 2.37 1.85 -1.07 0.29 114.93 117.23 1n4m h MET 704 Ca -0.01 0.06 0.12 0.00 -0.61 0.00 0.00 59.70 59.26 1n4m h MET 704 Cb 1.18 0.20 -0.09 0.00 0.43 0.00 0.00 31.60 33.32 1n4m h MET 704 CO 0.11 -0.58 0.13 0.52 -0.40 0.00 0.00 176.91 176.69 1n4m h MET 705 N -1.01 0.24 -0.17 0.39 2.86 -0.78 0.20 114.93 116.66 1n4m h MET 705 Ca -0.09 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1n4m h MET 705 Cb 0.69 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1n4m h MET 705 CO 0.15 0.16 -0.13 0.00 1.06 0.00 0.00 176.91 178.15 1n4m h SER 707 N 0.26 0.87 0.25 0.00 0.02 0.15 0.19 113.55 115.30 1n4m h SER 707 Ca 0.05 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1n4m h SER 707 Cb 0.39 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1n4m h SER 707 CO 0.02 1.08 -0.12 0.24 -1.14 0.00 0.00 176.83 176.91 1n4m h MET 708 N 0.73 -0.33 -0.95 3.45 2.86 -0.11 -2.30 114.93 118.28 1n4m h MET 708 Ca 0.09 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1n4m h MET 708 Cb 0.80 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.48 1n4m h MET 708 CO 0.07 -0.12 0.62 -0.92 1.06 0.00 0.00 176.91 177.62 1n4m h TYR 709 N -0.48 1.17 0.55 -0.22 3.20 -1.03 -1.33 116.97 118.84 1n4m h TYR 709 Ca -0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1n4m h TYR 709 Cb 0.36 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1n4m h TYR 709 CO -0.02 0.69 -0.45 0.78 -1.64 0.00 0.00 178.16 177.52 1n4m h GLY 710 N 1.22 -1.14 0.93 1.82 0.00 -0.39 -1.50 103.07 104.01 1n4m h GLY 710 Ca 0.37 0.51 -0.04 0.00 0.00 0.00 0.00 47.33 48.17 1n4m h GLY 710 CO -0.11 -0.37 0.08 -2.22 0.00 0.00 0.00 176.54 173.92 1n4m h ILE 711 N -0.98 1.23 -0.93 2.60 1.08 -1.35 -2.84 117.51 116.31 1n4m h ILE 711 Ca -0.06 -0.80 0.15 0.00 -0.39 0.00 0.00 64.86 63.75 1n4m h ILE 711 Cb 0.83 1.03 -0.08 0.00 -3.07 0.00 0.00 36.82 35.54 1n4m h ILE 711 CO -0.00 0.27 0.59 0.00 -0.69 0.00 0.00 178.15 178.32 1n4m h LYS 713 N 0.72 -0.91 -0.31 0.00 1.79 -1.03 -1.55 116.57 115.28 1n4m h LYS 713 Ca 0.48 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 1n4m h LYS 713 Cb 0.75 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1n4m h LYS 713 CO -0.24 -0.61 0.00 1.33 -1.08 0.00 0.00 179.45 178.85 1n4m n VAL 714 N -4.98 0.00 -1.49 0.50 0.24 -0.91 -2.37 118.33 109.33 1n4m n VAL 714 Ca -0.11 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.25 1n4m n VAL 714 Cb 0.41 -0.25 0.11 0.00 -1.47 0.00 0.00 33.84 32.63 1n4m n VAL 714 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1n4m n LYS 715 N -0.16 0.91 -1.73 7.34 4.76 -0.96 -4.71 118.16 123.61 1n4m n LYS 715 Ca 0.00 -2.25 -0.14 0.00 -2.87 0.00 0.00 58.31 53.05 1n4m n LYS 715 Cb 0.08 -1.16 -0.04 0.00 -1.84 0.00 0.00 35.03 32.07 1n4m n LYS 715 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1n4m n ASN 716 N -0.89 -3.94 -4.83 4.39 5.15 -1.00 -4.93 115.26 109.22 1n4m n ASN 716 Ca 0.12 0.29 -0.38 0.00 -0.60 0.00 0.00 54.58 54.01 1n4m n ASN 716 Cb 0.70 -3.53 -0.06 0.00 -0.53 0.00 0.00 39.78 36.36 1n4m n ASN 716 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1n4m s ILE 717 N -2.36 5.05 -0.51 -1.44 -1.09 -0.62 -5.03 121.20 115.20 1n4m s ILE 717 Ca 0.00 0.83 -0.19 0.00 -2.23 0.00 0.00 60.65 59.06 1n4m s ILE 717 Cb 0.00 -3.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.23 1n4m s ILE 717 CO 0.00 0.56 0.63 -0.62 -1.23 0.00 0.00 174.94 174.27 1n4m s ASP 718 N -0.91 6.23 -0.31 3.58 3.68 -1.26 -4.37 116.67 123.30 1n4m s ASP 718 Ca 0.23 -0.91 -0.01 0.00 2.13 0.00 0.00 52.55 53.99 1n4m s ASP 718 Cb -0.16 -2.29 0.12 0.00 -1.45 0.00 0.00 42.92 39.14 1n4m s ASP 718 CO 0.13 -0.89 0.22 -0.22 0.13 0.00 0.00 175.17 174.53 1n4m s LEU 719 N 2.64 0.37 0.39 -1.34 2.96 -1.26 -5.14 118.68 117.30 1n4m s LEU 719 Ca 0.15 -1.40 -0.24 0.00 -0.22 0.00 0.00 54.13 52.43 1n4m s LEU 719 Cb -0.19 -0.04 -0.10 0.00 0.50 0.00 0.00 46.19 46.37 1n4m s LEU 719 CO 0.12 -0.38 1.00 -0.54 -1.32 0.00 0.00 176.35 175.23 1n4m s LYS 720 N 1.85 4.28 0.30 1.98 3.01 -1.26 -4.86 119.74 125.04 1n4m s LYS 720 Ca 0.12 1.37 0.06 0.00 -1.01 0.00 0.00 55.97 56.51 1n4m s LYS 720 Cb -0.17 -2.52 0.73 0.00 -1.01 0.00 0.00 37.83 34.86 1n4m s LYS 720 CO -0.23 -0.02 1.78 0.74 0.51 0.00 0.00 175.35 178.14 1n4m h PHE 721 N 2.52 1.07 -0.97 3.18 0.04 -1.98 0.39 116.94 121.19 1n4m h PHE 721 Ca -0.48 0.03 0.14 0.00 2.80 0.00 0.00 57.97 60.47 1n4m h PHE 721 Cb 1.20 -0.32 -0.09 0.00 2.20 0.00 0.00 35.95 38.94 1n4m h PHE 721 CO 0.60 0.25 0.61 1.57 -0.60 0.00 0.00 178.31 180.74 1n4m h LYS 722 N 0.78 0.83 0.19 1.51 2.10 -1.98 0.82 116.57 120.82 1n4m h LYS 722 Ca 0.57 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 59.16 1n4m h LYS 722 Cb 0.87 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1n4m h LYS 722 CO -0.37 0.55 -0.09 0.82 -2.00 0.00 0.00 179.45 178.36 1n4m h ILE 723 N 0.85 0.89 -0.59 0.07 1.08 -0.70 -1.74 117.51 117.38 1n4m h ILE 723 Ca 0.50 -0.92 0.09 0.00 -0.39 0.00 0.00 64.86 64.14 1n4m h ILE 723 Cb 0.66 1.40 -0.07 0.00 -3.07 0.00 0.00 36.82 35.74 1n4m h ILE 723 CO -0.27 0.19 0.22 0.40 -0.69 0.00 0.00 178.15 178.00 1n4m h ILE 724 N -0.74 0.78 -0.73 -0.67 2.04 -0.08 -2.15 117.51 115.95 1n4m h ILE 724 Ca -0.03 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 1n4m h ILE 724 Cb 0.51 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1n4m h ILE 724 CO 0.04 0.07 0.27 0.58 0.00 0.00 0.00 178.15 179.11 1n4m h VAL 725 N 0.40 1.25 0.00 1.67 2.07 0.62 0.70 116.25 122.95 1n4m h VAL 725 Ca 0.29 -0.83 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 1n4m h VAL 725 Cb 0.36 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1n4m h VAL 725 CO -0.30 0.33 -0.52 0.74 0.02 0.00 0.00 177.57 177.85 1n4m h THR 726 N 1.07 1.33 0.17 2.57 2.02 -0.94 -2.88 112.91 116.25 1n4m h THR 726 Ca 0.24 -1.79 -0.23 0.00 0.77 0.00 0.00 66.41 65.40 1n4m h THR 726 Cb 0.24 1.98 0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1n4m h THR 726 CO -0.02 0.51 -1.04 0.00 0.37 0.00 0.00 175.52 175.34 1n4m h ALA 727 N 1.48 -0.09 -1.03 6.16 0.00 -0.94 -3.26 119.26 121.59 1n4m h ALA 727 Ca -0.01 -0.77 0.33 0.00 0.00 0.00 0.00 54.91 54.46 1n4m h ALA 727 Cb 0.93 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 1n4m h ALA 727 CO 0.07 0.50 0.60 -0.92 0.00 0.00 0.00 179.25 179.49 1n4m h TYR 728 N -0.23 0.88 0.00 0.00 3.20 0.60 0.40 116.97 121.83 1n4m h TYR 728 Ca -0.19 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1n4m h TYR 728 Cb 1.79 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.83 1n4m h TYR 728 CO 0.17 -0.17 0.00 1.63 -1.64 0.00 0.00 178.16 178.16 1n4m n LYS 729 N -5.00 0.00 -0.01 1.82 5.02 -1.11 -1.52 118.16 117.37 1n4m n LYS 729 Ca 0.32 0.47 0.14 0.00 -2.02 0.00 0.00 58.31 57.22 1n4m n LYS 729 Cb 1.02 -1.50 0.66 0.00 -0.02 0.00 0.00 35.03 35.19 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 -1.48 0.93 -4.89 4.39 8.00 0.14 -4.77 116.55 118.87 1n4m n ASP 730 Ca 0.00 -1.34 -0.31 0.00 0.71 0.00 0.00 54.79 53.85 1n4m n ASP 730 Cb 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 1n4m n ASP 730 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n4m s LEU 731 N -1.94 4.15 0.41 0.64 1.43 -0.57 -5.01 118.68 117.78 1n4m s LEU 731 Ca 0.40 0.77 0.19 0.00 -1.03 0.00 0.00 54.13 54.46 1n4m s LEU 731 Cb 0.21 -3.54 1.11 0.00 0.03 0.00 0.00 46.19 43.99 1n4m s LEU 731 CO 0.34 -0.09 1.81 -0.65 0.23 0.00 0.00 176.35 177.98 1n4m h PRO 732 N 2.27 0.38 -0.64 1.29 0.11 -1.89 -1.10 132.00 132.42 1n4m h PRO 732 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n4m h PRO 732 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1n4m h PRO 732 CO 0.69 0.25 0.00 -2.39 -0.21 0.00 0.00 178.00 176.34 1n4m n HIS 733 N -4.56 1.77 -1.96 0.65 1.44 -1.26 -4.97 115.22 106.34 1n4m n HIS 733 Ca 0.23 -0.62 -0.42 0.00 -2.01 0.00 0.00 57.72 54.90 1n4m n HIS 733 Cb 0.82 -0.44 -0.03 0.00 0.12 0.00 0.00 29.99 30.47 1n4m n HIS 733 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1n4m s ALA 734 N -2.46 2.75 -0.06 1.59 0.00 -0.42 -4.98 121.76 118.17 1n4m s ALA 734 Ca 0.47 0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.62 1n4m s ALA 734 Cb 0.36 -4.06 0.04 0.00 0.00 0.00 0.00 23.12 19.46 1n4m s ALA 734 CO 0.15 -2.82 0.12 0.54 0.00 0.00 0.00 175.76 173.74 1n4m s VAL 735 N 7.39 -0.15 0.52 0.00 0.11 -1.26 -5.01 120.40 121.99 1n4m s VAL 735 Ca 0.81 0.31 0.33 0.00 -2.93 0.00 0.00 61.98 60.50 1n4m s VAL 735 Cb -0.22 -0.23 0.51 0.00 -1.53 0.00 0.00 36.38 34.91 1n4m s VAL 735 CO 0.32 0.13 1.83 1.56 -3.33 0.00 0.00 175.10 175.61 1n4m h GLN 736 N 7.97 0.05 -0.47 1.54 4.20 -1.98 -0.50 115.11 125.92 1n4m h GLN 736 Ca -0.24 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.58 1n4m h GLN 736 Cb 1.12 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 1n4m h GLN 736 CO 0.25 0.03 0.33 1.49 -0.67 0.00 0.00 178.83 180.27 1n4m h GLU 737 N 0.05 0.09 0.00 1.46 4.81 -1.96 -0.97 114.58 118.07 1n4m h GLU 737 Ca 0.53 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1n4m h GLU 737 Cb 2.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.36 1n4m h GLU 737 CO -0.04 0.06 -0.01 1.15 -0.73 0.00 0.00 179.01 179.44 1n4m h THR 738 N 0.10 0.12 0.00 0.32 2.02 -1.35 0.01 112.91 114.13 1n4m h THR 738 Ca 0.22 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1n4m h THR 738 Cb 0.76 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1n4m h THR 738 CO -0.02 0.01 0.00 2.22 0.37 0.00 0.00 175.52 178.10 1n4m n PHE 739 N -3.23 0.00 -0.13 3.16 1.16 -0.45 -4.71 117.46 113.26 1n4m n PHE 739 Ca -0.02 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.33 1n4m n PHE 739 Cb 0.12 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.88 1n4m n PHE 739 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1n4m n LYS 740 N -0.19 0.63 -3.79 3.97 5.02 -0.68 -0.42 118.16 122.69 1n4m n LYS 740 Ca 0.00 0.20 -0.35 0.00 -2.02 0.00 0.00 58.31 56.14 1n4m n LYS 740 Cb 0.01 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 33.39 1n4m n LYS 740 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1n4m s ARG 741 N -2.51 2.23 -0.12 1.97 3.52 -0.03 -2.80 118.95 121.21 1n4m s ARG 741 Ca -0.36 -2.29 0.03 0.00 -0.13 0.00 0.00 55.73 52.98 1n4m s ARG 741 Cb 0.11 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 1n4m s ARG 741 CO 0.56 -1.12 -0.23 0.08 -0.81 0.00 0.00 175.30 173.79 1n4m s VAL 742 N 0.32 2.02 0.04 7.11 1.01 0.22 -4.66 120.40 126.47 1n4m s VAL 742 Ca 0.14 -0.98 -0.33 0.00 0.00 0.00 0.00 61.98 60.81 1n4m s VAL 742 Cb -0.22 -1.77 -0.12 0.00 0.00 0.00 0.00 36.38 34.28 1n4m s VAL 742 CO -0.03 0.55 1.81 -0.11 0.00 0.00 0.00 175.10 177.31 1n4m n LEU 743 N 3.77 3.59 0.00 3.92 7.94 -1.26 -0.72 117.00 134.23 1n4m n LEU 743 Ca -0.19 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 1n4m n LEU 743 Cb 0.52 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 43.03 1n4m n LEU 743 CO 0.27 -0.03 0.00 -0.38 -1.11 0.00 0.00 177.39 176.15 1n4m n ILE 744 N 4.64 0.00 -4.19 1.96 2.08 0.36 -4.89 119.36 119.32 1n4m n ILE 744 Ca 0.20 0.16 -0.16 0.00 0.56 0.00 0.00 62.75 63.50 1n4m n ILE 744 Cb 0.32 -1.10 -0.13 0.00 -0.75 0.00 0.00 39.64 37.98 1n4m n ILE 744 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1n4m s LYS 745 N -0.39 0.58 1.18 0.38 2.47 -1.21 -4.96 119.74 117.79 1n4m s LYS 745 Ca 0.00 -0.46 0.00 0.00 -1.56 0.00 0.00 55.97 53.95 1n4m s LYS 745 Cb 0.00 -0.50 0.00 0.00 -1.46 0.00 0.00 37.83 35.87 1n4m s LYS 745 CO 0.00 0.12 0.00 0.39 0.16 0.00 0.00 175.35 176.02 1n4m n GLU 746 N 2.34 0.00 -0.70 4.03 -0.58 -1.26 0.23 120.64 124.69 1n4m n GLU 746 Ca -0.17 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.63 1n4m n GLU 746 Cb 0.56 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.54 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 0.78 -3.56 3.49 -0.58 -1.26 -5.04 120.64 114.47 1n4m n GLU 747 Ca 0.00 -2.34 -0.37 0.00 -0.42 0.00 0.00 57.16 54.03 1n4m n GLU 747 Cb 0.00 -0.94 -0.06 0.00 -0.57 0.00 0.00 31.44 29.87 1n4m n GLU 747 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1n4m s GLU 748 N -1.65 4.03 0.00 3.49 2.02 0.13 -5.02 118.70 121.72 1n4m s GLU 748 Ca 0.28 0.18 0.07 0.00 0.02 0.00 0.00 54.97 55.52 1n4m s GLU 748 Cb 0.28 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 1n4m s GLU 748 CO -0.06 0.45 -0.22 0.71 0.02 0.00 0.00 175.26 176.16 1n4m s TYR 749 N -0.22 1.96 0.07 1.61 1.51 -1.26 -0.48 117.35 120.55 1n4m s TYR 749 Ca 0.19 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 1n4m s TYR 749 Cb -0.14 -1.23 -0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1n4m s TYR 749 CO 0.07 0.01 0.09 -3.47 -1.11 0.00 0.00 175.55 171.15 1n4m n ASP 750 N 2.29 -0.26 -4.73 2.29 -0.08 0.10 -4.77 116.55 111.39 1n4m n ASP 750 Ca -0.16 -1.42 -0.31 0.00 -1.51 0.00 0.00 54.79 51.39 1n4m n ASP 750 Cb 0.53 0.50 0.12 0.00 2.34 0.00 0.00 41.12 44.61 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 -1.47 3.82 0.62 1.67 1.04 -1.12 0.71 113.70 118.97 1n4m s SER 751 Ca 0.07 1.77 0.39 0.00 0.48 0.00 0.00 55.95 58.65 1n4m s SER 751 Cb -0.00 -2.42 2.08 0.00 0.10 0.00 0.00 66.02 65.78 1n4m s SER 751 CO 0.05 -2.46 2.27 -0.29 0.98 0.00 0.00 173.24 173.79 1n4m h ILE 752 N -1.42 0.17 -0.00 -1.02 2.10 -1.00 -0.74 117.51 115.60 1n4m h ILE 752 Ca -0.46 -0.13 -0.00 0.00 1.08 0.00 0.00 64.86 65.36 1n4m h ILE 752 Cb 1.26 1.10 -0.00 0.00 -1.09 0.00 0.00 36.82 38.09 1n4m h ILE 752 CO 0.51 0.01 0.00 0.40 -1.08 0.00 0.00 178.15 177.99 1n4m h ILE 753 N 0.00 1.24 -0.58 2.19 1.08 -1.90 0.10 117.51 119.65 1n4m h ILE 753 Ca -0.00 -0.71 -0.07 0.00 -0.39 0.00 0.00 64.86 63.69 1n4m h ILE 753 Cb 0.10 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 1n4m h ILE 753 CO 0.00 0.18 0.08 0.58 -0.69 0.00 0.00 178.15 178.31 1n4m h VAL 754 N -0.30 1.25 -0.70 1.67 2.07 -1.54 0.48 116.25 119.18 1n4m h VAL 754 Ca 0.00 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 1n4m h VAL 754 Cb 0.30 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1n4m h VAL 754 CO 0.00 0.36 0.14 0.15 0.02 0.00 0.00 177.57 178.24 1n4m h PHE 755 N 0.88 1.19 0.37 1.57 3.57 -1.07 -0.76 116.94 122.70 1n4m h PHE 755 Ca 0.18 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1n4m h PHE 755 Cb 0.40 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1n4m h PHE 755 CO 0.03 0.98 -0.18 -0.92 -2.23 0.00 0.00 178.31 175.99 1n4m h TYR 756 N 1.06 -0.46 -0.11 0.41 3.20 -0.31 0.19 116.97 120.96 1n4m h TYR 756 Ca 0.22 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.10 1n4m h TYR 756 Cb 0.41 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1n4m h TYR 756 CO 0.03 -0.15 -0.07 -0.91 -1.64 0.00 0.00 178.16 175.42 1n4m h ASN 757 N -0.77 -0.23 0.22 -2.11 2.35 -0.86 0.41 115.58 114.60 1n4m h ASN 757 Ca -0.05 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n4m h ASN 757 Cb 0.52 0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1n4m h ASN 757 CO 0.08 -0.10 -1.03 -1.20 -1.65 0.00 0.00 177.43 173.53 1n4m n SER 758 N -5.21 0.69 0.04 5.81 7.64 -0.30 -4.07 113.62 118.22 1n4m n SER 758 Ca -0.04 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1n4m n SER 758 Cb 0.13 0.91 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1n4m n SER 758 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1n4m n VAL 759 N -1.73 0.64 0.32 0.44 0.31 -0.33 -4.59 118.33 113.39 1n4m n VAL 759 Ca 0.03 0.21 -0.18 0.00 -0.01 0.00 0.00 64.34 64.39 1n4m n VAL 759 Cb 0.39 -1.17 -0.09 0.00 -0.91 0.00 0.00 33.84 32.05 1n4m n VAL 759 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1n4m h PHE 760 N 0.00 -1.26 -0.30 3.52 3.57 -0.66 -2.36 116.94 119.45 1n4m h PHE 760 Ca 0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 1n4m h PHE 760 Cb 0.00 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1n4m h PHE 760 CO 0.00 -0.65 -0.16 1.98 -2.23 0.00 0.00 178.31 177.26 1n4m h MET 761 N -1.00 0.52 -0.13 1.11 4.05 -0.40 -0.75 114.93 118.33 1n4m h MET 761 Ca -0.07 -0.16 -0.06 0.00 -0.28 0.00 0.00 59.70 59.13 1n4m h MET 761 Cb 0.85 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 1n4m h MET 761 CO -0.01 0.66 -0.19 1.96 0.23 0.00 0.00 176.91 179.56 1n4m h GLN 762 N 0.48 0.22 0.06 0.39 1.08 -1.68 0.72 115.11 116.38 1n4m h GLN 762 Ca 0.08 -0.06 -0.31 0.00 -1.45 0.00 0.00 58.65 56.92 1n4m h GLN 762 Cb 0.55 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1n4m h GLN 762 CO 0.04 0.41 -1.67 -0.09 -0.95 0.00 0.00 178.83 176.57 1n4m h ARG 763 N 0.21 0.13 -0.02 1.46 2.43 -1.21 -3.38 114.38 114.00 1n4m h ARG 763 Ca 0.04 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1n4m h ARG 763 Cb 0.46 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1n4m h ARG 763 CO 0.03 0.86 -0.24 1.28 -1.51 0.00 0.00 179.97 180.39 1n4m n LEU 764 N -3.28 2.25 -0.21 3.80 4.77 -0.31 -4.66 117.00 119.36 1n4m n LEU 764 Ca -0.19 -0.86 0.02 0.00 -0.03 0.00 0.00 56.01 54.95 1n4m n LEU 764 Cb 1.04 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.19 1n4m n LEU 764 CO 0.46 0.40 0.36 1.17 -1.33 0.00 0.00 177.39 178.45 1n4m n LYS 765 N 0.47 -0.09 -0.06 3.23 4.81 0.25 0.18 118.16 126.96 1n4m n LYS 765 Ca 0.10 0.89 -0.12 0.00 -0.87 0.00 0.00 58.31 58.31 1n4m n LYS 765 Cb 0.46 -1.32 -0.06 0.00 0.02 0.00 0.00 35.03 34.13 1n4m n LYS 765 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n4m h THR 766 N 0.00 1.29 -0.01 3.15 1.03 -1.84 -2.67 112.91 113.85 1n4m h THR 766 Ca 0.24 -1.01 0.01 0.00 -0.01 0.00 0.00 66.41 65.64 1n4m h THR 766 Cb 0.39 1.62 -0.01 0.00 -1.07 0.00 0.00 68.15 69.07 1n4m h THR 766 CO -0.58 0.30 -0.04 0.78 -0.01 0.00 0.00 175.52 175.97 1n4m h ASN 767 N 0.03 -0.12 -0.88 0.00 -0.26 -0.59 -2.18 115.58 111.58 1n4m h ASN 767 Ca 0.04 0.02 0.14 0.00 -0.56 0.00 0.00 56.30 55.94 1n4m h ASN 767 Cb 0.48 0.05 -0.09 0.00 -1.06 0.00 0.00 38.32 37.70 1n4m h ASN 767 CO 0.02 -0.06 0.48 0.40 -1.06 0.00 0.00 177.43 177.21 1n4m h ILE 768 N -0.07 0.77 0.00 2.81 2.04 -0.88 -1.98 117.51 120.20 1n4m h ILE 768 Ca 0.02 -0.24 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 1n4m h ILE 768 Cb 0.10 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 1n4m h ILE 768 CO -0.05 0.13 -0.55 -0.07 0.00 0.00 0.00 178.15 177.60 1n4m h LEU 769 N 0.70 0.00 -1.81 1.44 3.38 -1.11 -3.02 115.31 114.89 1n4m h LEU 769 Ca 0.47 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.53 1n4m h LEU 769 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1n4m h LEU 769 CO -0.34 0.55 0.30 1.56 0.09 0.00 0.00 178.44 180.61 1n4m h GLN 770 N 0.00 0.21 0.00 1.13 4.20 -0.73 0.15 115.11 120.07 1n4m h GLN 770 Ca -0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1n4m h GLN 770 Cb 1.00 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1n4m h GLN 770 CO 0.07 0.14 0.00 1.88 -0.67 0.00 0.00 178.83 180.25 1n4m h TYR 771 N 0.22 0.00 -0.51 2.96 -1.99 -1.57 -1.55 116.97 114.53 1n4m h TYR 771 Ca 0.20 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.93 1n4m h TYR 771 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 1n4m h TYR 771 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1n4m n ALA 772 N -2.04 2.89 -4.15 3.88 0.00 0.03 -4.87 120.51 116.25 1n4m n ALA 772 Ca -0.00 -1.65 -0.17 0.00 0.00 0.00 0.00 53.44 51.61 1n4m n ALA 772 Cb 0.22 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 1n4m n ALA 772 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n4m n SER 773 N 0.68 2.47 0.23 0.00 3.41 -0.59 -5.05 113.62 114.77 1n4m n SER 773 Ca 0.22 -2.16 0.10 0.00 -0.26 0.00 0.00 58.87 56.77 1n4m n SER 773 Cb 0.80 0.11 0.55 0.00 -0.26 0.00 0.00 64.21 65.41 1n4m n SER 773 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1n4m h THR 774 N 0.93 0.62 -2.16 6.66 2.02 -1.93 -3.33 112.91 115.72 1n4m h THR 774 Ca -0.22 -0.94 -0.56 0.00 0.77 0.00 0.00 66.41 65.46 1n4m h THR 774 Cb 0.70 1.62 -0.41 0.00 -1.74 0.00 0.00 68.15 68.32 1n4m h THR 774 CO 0.35 0.20 -0.82 0.54 0.37 0.00 0.00 175.52 176.17 1n4m n ARG 775 N -3.52 2.21 -1.44 6.66 3.00 -1.26 -5.10 116.66 117.20 1n4m n ARG 775 Ca -0.01 -4.26 -0.32 0.00 -0.01 0.00 0.00 57.85 53.25 1n4m n ARG 775 Cb 0.36 -1.98 0.08 0.00 0.00 0.00 0.00 32.46 30.92 1n4m n ARG 775 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1n4m s PRO 776 N -2.67 2.36 0.30 5.56 0.04 -1.20 -4.87 135.00 134.52 1n4m s PRO 776 Ca 0.43 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1n4m s PRO 776 Cb 0.25 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.77 1n4m s PRO 776 CO -0.09 -1.59 1.53 -2.30 0.04 0.00 0.00 177.00 174.59 1n4m n PRO 777 N -3.01 2.58 -1.67 0.56 -0.02 -1.26 -4.90 135.00 127.27 1n4m n PRO 777 Ca 0.10 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 62.07 1n4m n PRO 777 Cb 0.52 -2.66 -0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 1.69 2.18 -1.74 3.45 5.66 -1.26 -4.85 114.28 119.40 1n4m n THR 778 Ca 0.07 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.15 1n4m n THR 778 Cb 0.36 -1.43 -0.01 0.00 -1.55 0.00 0.00 70.33 67.70 1n4m n THR 778 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1n4m n LEU 779 N 0.67 4.30 -4.74 1.09 4.77 -1.26 -4.95 117.00 116.88 1n4m n LEU 779 Ca 0.06 1.17 -0.41 0.00 -0.03 0.00 0.00 56.01 56.81 1n4m n LEU 779 Cb 0.37 -1.58 -0.05 0.00 -2.33 0.00 0.00 43.42 39.83 1n4m n LEU 779 CO 0.60 0.05 0.73 -0.44 -1.33 0.00 0.00 177.39 177.00 1n4m s SER 780 N 0.25 7.41 0.55 -1.43 0.01 -1.26 -4.98 113.70 114.26 1n4m s SER 780 Ca 0.61 2.00 -0.21 0.00 1.31 0.00 0.00 55.95 59.66 1n4m s SER 780 Cb -0.51 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.07 1n4m s SER 780 CO 0.54 -0.09 1.31 -0.81 0.41 0.00 0.00 173.24 174.60 1n4m n PRO 781 N 2.17 1.58 -2.81 12.44 -0.04 -1.26 -4.85 135.00 142.24 1n4m n PRO 781 Ca 0.01 0.59 -0.40 0.00 -0.04 0.00 0.00 63.50 63.66 1n4m n PRO 781 Cb 0.47 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.36 1n4m n PRO 781 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1n4m s ILE 782 N -1.31 4.30 -0.11 0.52 1.01 -1.26 -5.00 121.20 119.35 1n4m s ILE 782 Ca 0.72 1.97 -0.29 0.00 0.00 0.00 0.00 60.65 63.05 1n4m s ILE 782 Cb -0.42 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 1n4m s ILE 782 CO 0.49 0.44 1.55 -2.84 0.00 0.00 0.00 174.94 174.58 1n4m s PRO 783 N -0.75 4.14 0.29 2.79 0.02 -1.26 -4.93 135.00 135.30 1n4m s PRO 783 Ca 0.41 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 63.34 1n4m s PRO 783 Cb -0.24 -3.94 -0.06 0.00 0.02 0.00 0.00 34.50 30.28 1n4m s PRO 783 CO 0.30 -0.87 -0.16 0.72 -0.33 0.00 0.00 177.00 176.65 1n4m n HIS 784 N 7.19 -1.58 -0.44 6.54 8.25 -1.26 -4.93 115.22 128.98 1n4m n HIS 784 Ca 0.17 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1n4m n HIS 784 Cb 0.44 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1n4m n HIS 784 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49