#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1i s LYS 402 N 0.00 4.14 -0.10 3.17 1.02 -1.19 -1.68 119.74 125.10 1u1i s LYS 402 Ca 0.00 0.69 -0.02 0.00 0.02 0.00 0.00 55.97 56.66 1u1i s LYS 402 Cb 0.00 -3.03 0.04 0.00 -0.52 0.00 0.00 37.83 34.32 1u1i s LYS 402 CO 0.00 0.52 0.03 0.08 -0.92 0.00 0.00 175.35 175.05 1u1i s VAL 403 N -1.35 0.30 -0.22 3.17 1.01 -0.44 -0.55 120.40 122.32 1u1i s VAL 403 Ca 0.36 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.23 1u1i s VAL 403 Cb -0.17 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1u1i s VAL 403 CO 0.20 0.09 0.11 0.86 0.00 0.00 0.00 175.10 176.35 1u1i s TRP 404 N 1.99 3.25 -0.17 5.22 -0.11 -0.57 -3.03 118.94 125.52 1u1i s TRP 404 Ca 0.03 0.06 0.01 0.00 1.22 0.00 0.00 56.10 57.42 1u1i s TRP 404 Cb -0.14 -2.19 0.01 0.00 -1.50 0.00 0.00 33.47 29.66 1u1i s TRP 404 CO -0.06 0.03 -0.19 -0.51 -4.62 0.00 0.00 176.95 171.60 1u1i s LEU 405 N 0.87 2.21 -0.15 5.86 1.43 -0.08 -1.83 118.68 127.00 1u1i s LEU 405 Ca 0.05 -0.60 -0.29 0.00 -1.03 0.00 0.00 54.13 52.26 1u1i s LEU 405 Cb -0.13 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 1u1i s LEU 405 CO 0.03 0.03 1.03 -0.69 0.23 0.00 0.00 176.35 176.98 1u1i s VAL 406 N 1.10 4.71 -0.10 -1.59 1.01 -1.01 0.52 120.40 125.04 1u1i s VAL 406 Ca 0.00 2.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.99 1u1i s VAL 406 Cb -0.14 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1u1i s VAL 406 CO -0.08 -0.06 0.09 0.61 0.00 0.00 0.00 175.10 175.66 1u1i n GLY 407 N 3.20 0.42 0.00 4.51 0.00 0.28 -2.36 105.19 111.24 1u1i n GLY 407 Ca 0.10 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1u1i n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1i n ALA 408 N -1.43 2.04 -0.94 4.61 0.00 -1.03 -3.30 120.51 120.46 1u1i n ALA 408 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1u1i n ALA 408 Cb 0.51 -1.36 0.32 0.00 0.00 0.00 0.00 19.45 18.93 1u1i n ALA 408 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u1i n TYR 409 N -1.44 1.44 -2.68 0.00 4.01 -1.26 -4.37 117.16 112.85 1u1i n TYR 409 Ca 0.07 -0.81 -0.29 0.00 -0.16 0.00 0.00 57.90 56.71 1u1i n TYR 409 Cb 0.23 -0.40 -0.01 0.00 -0.31 0.00 0.00 39.34 38.85 1u1i n TYR 409 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1u1i s GLY 410 N -1.42 1.69 0.55 2.72 0.00 -1.21 -4.84 107.32 104.82 1u1i s GLY 410 Ca 0.48 -0.36 0.27 0.00 0.00 0.00 0.00 44.72 45.11 1u1i s GLY 410 CO 0.12 -0.17 2.17 1.19 0.00 0.00 0.00 173.10 176.40 1u1i h ILE 411 N 0.55 0.59 0.16 0.90 2.10 -1.92 -0.85 117.51 119.05 1u1i h ILE 411 Ca -0.47 -0.25 -0.26 0.00 1.08 0.00 0.00 64.86 64.96 1u1i h ILE 411 Cb 1.20 1.15 0.02 0.00 -1.09 0.00 0.00 36.82 38.10 1u1i h ILE 411 CO 0.63 0.06 -1.23 0.58 -1.08 0.00 0.00 178.15 177.10 1u1i h VAL 412 N 0.00 1.26 0.61 2.19 2.07 -1.93 -1.44 116.25 119.01 1u1i h VAL 412 Ca -0.00 -2.53 -0.02 0.00 0.82 0.00 0.00 66.70 64.97 1u1i h VAL 412 Cb 0.15 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1u1i h VAL 412 CO 0.01 0.75 -0.41 -1.28 0.02 0.00 0.00 177.57 176.65 1u1i h SER 413 N -0.19 -1.06 -0.77 0.57 0.87 -1.78 -2.09 113.55 109.10 1u1i h SER 413 Ca -0.24 0.07 0.18 0.00 -1.23 0.00 0.00 61.79 60.57 1u1i h SER 413 Cb 1.84 0.32 -0.12 0.00 -0.44 0.00 0.00 62.40 64.00 1u1i h SER 413 CO 0.15 -0.62 0.14 0.71 -0.53 0.00 0.00 176.83 176.68 1u1i h THR 414 N -0.98 0.43 -0.60 2.23 1.35 -1.27 -0.86 112.91 113.20 1u1i h THR 414 Ca -0.07 -0.07 -0.07 0.00 -0.55 0.00 0.00 66.41 65.64 1u1i h THR 414 Cb 0.81 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.40 1u1i h THR 414 CO 0.05 0.04 0.09 0.74 -0.25 0.00 0.00 175.52 176.19 1u1i h THR 415 N 0.21 1.25 0.00 6.82 2.02 -1.07 -0.26 112.91 121.88 1u1i h THR 415 Ca 0.44 -0.99 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1u1i h THR 415 Cb 0.79 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1u1i h THR 415 CO -0.58 0.37 -0.34 0.00 0.37 0.00 0.00 175.52 175.34 1u1i h ALA 416 N 1.17 1.03 -0.05 6.16 0.00 -0.52 -1.04 119.26 126.01 1u1i h ALA 416 Ca 0.19 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1u1i h ALA 416 Cb 0.41 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u1i h ALA 416 CO 0.01 0.42 -0.55 0.52 0.00 0.00 0.00 179.25 179.65 1u1i h MET 417 N 0.00 0.46 -0.46 0.00 2.86 -0.50 -1.50 114.93 115.79 1u1i h MET 417 Ca -0.00 -0.43 -0.07 0.00 -2.06 0.00 0.00 59.70 57.14 1u1i h MET 417 Cb 0.84 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1u1i h MET 417 CO 0.04 1.07 0.03 0.28 1.06 0.00 0.00 176.91 179.39 1u1i h VAL 418 N -0.00 1.26 0.00 -2.22 2.07 -1.04 -2.79 116.25 113.53 1u1i h VAL 418 Ca -0.06 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 1u1i h VAL 418 Cb 1.23 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1u1i h VAL 418 CO 0.11 0.35 -0.31 1.23 0.02 0.00 0.00 177.57 178.97 1u1i h GLY 419 N 0.64 0.00 0.34 2.17 0.00 -1.23 -2.41 103.07 102.59 1u1i h GLY 419 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1u1i h GLY 419 CO 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.39 1u1i h ALA 420 N 1.69 -0.69 -0.34 3.60 0.00 -1.24 -2.64 119.26 119.64 1u1i h ALA 420 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1u1i h ALA 420 Cb 1.06 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1u1i h ALA 420 CO 0.04 -0.66 -0.48 0.00 0.00 0.00 0.00 179.25 178.15 1u1i h ARG 421 N -0.72 -0.39 -0.87 0.00 2.47 -1.57 -1.34 114.38 111.97 1u1i h ARG 421 Ca -0.05 0.03 0.19 0.00 -1.26 0.00 0.00 59.98 58.89 1u1i h ARG 421 Cb 0.35 0.09 -0.16 0.00 -1.65 0.00 0.00 29.97 28.60 1u1i h ARG 421 CO 0.08 -0.26 -0.11 0.00 0.56 0.00 0.00 179.97 180.24 1u1i h ALA 422 N 0.16 0.75 -0.08 0.04 0.00 -1.55 -2.06 119.26 116.52 1u1i h ALA 422 Ca 0.10 0.32 -0.25 0.00 0.00 0.00 0.00 54.91 55.08 1u1i h ALA 422 Cb 0.61 0.59 0.02 0.00 0.00 0.00 0.00 17.79 19.00 1u1i h ALA 422 CO -0.54 -0.44 -0.91 0.82 0.00 0.00 0.00 179.25 178.18 1u1i h ILE 423 N 0.03 1.28 0.00 0.00 2.04 -1.02 -1.63 117.51 118.20 1u1i h ILE 423 Ca 0.45 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1u1i h ILE 423 Cb 0.78 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1u1i h ILE 423 CO -0.84 0.66 0.00 -0.33 0.00 0.00 0.00 178.15 177.64 1u1i h GLU 424 N 0.48 0.00 -0.01 2.37 5.08 -0.62 -0.54 114.58 121.34 1u1i h GLU 424 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1u1i h GLU 424 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1u1i h GLU 424 CO 0.18 0.00 -0.08 0.54 -1.00 0.00 0.00 179.01 178.65 1u1i n ARG 425 N -2.82 1.03 -1.07 2.33 1.74 -0.83 -4.90 116.66 112.14 1u1i n ARG 425 Ca 0.00 -0.44 -0.02 0.00 -0.77 0.00 0.00 57.85 56.62 1u1i n ARG 425 Cb 0.22 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 1u1i n ARG 425 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1i n GLY 426 N 1.22 0.45 0.53 -0.13 0.00 -0.21 -4.85 105.19 102.20 1u1i n GLY 426 Ca 0.17 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1u1i n GLY 426 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1u1i n ILE 427 N -2.54 0.00 -4.37 -0.61 3.06 -0.86 -4.91 119.36 109.13 1u1i n ILE 427 Ca -0.02 -0.43 -0.21 0.00 -2.50 0.00 0.00 62.75 59.58 1u1i n ILE 427 Cb 0.27 1.28 -0.16 0.00 0.54 0.00 0.00 39.64 41.57 1u1i n ILE 427 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1u1i s ALA 428 N -1.56 0.91 1.10 1.51 0.00 -0.67 -4.88 121.76 118.16 1u1i s ALA 428 Ca 0.17 -0.24 -0.14 0.00 0.00 0.00 0.00 51.96 51.74 1u1i s ALA 428 Cb 0.13 -0.43 0.22 0.00 0.00 0.00 0.00 23.12 23.04 1u1i s ALA 428 CO 0.28 0.08 0.50 -2.30 0.00 0.00 0.00 175.76 174.32 1u1i n PRO 429 N 3.75 -2.36 -0.11 0.00 -0.02 -1.26 -4.26 135.00 130.74 1u1i n PRO 429 Ca -0.23 -0.85 0.04 0.00 -2.02 0.00 0.00 63.50 60.44 1u1i n PRO 429 Cb 0.52 -1.40 0.10 0.00 -0.02 0.00 0.00 33.50 32.70 1u1i n PRO 429 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1u1i n LYS 430 N -2.69 2.68 -1.48 -0.52 4.76 -1.26 -4.80 118.16 114.84 1u1i n LYS 430 Ca 0.08 -1.79 -0.38 0.00 -2.87 0.00 0.00 58.31 53.35 1u1i n LYS 430 Cb 0.35 -1.18 0.04 0.00 -1.84 0.00 0.00 35.03 32.41 1u1i n LYS 430 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1u1i n ILE 431 N 0.20 2.57 -0.84 -0.18 5.41 -1.26 -2.93 119.36 122.33 1u1i n ILE 431 Ca 0.07 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1u1i n ILE 431 Cb 0.35 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.50 1u1i n ILE 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u1i n GLY 432 N 1.67 0.88 3.52 7.39 0.00 -1.26 -5.03 105.19 112.36 1u1i n GLY 432 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1u1i n GLY 432 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1i s LEU 433 N 0.00 3.84 0.02 0.99 1.43 -1.15 -4.51 118.68 119.30 1u1i s LEU 433 Ca 0.00 -0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 52.70 1u1i s LEU 433 Cb 0.00 -2.04 -0.18 0.00 0.03 0.00 0.00 46.19 44.00 1u1i s LEU 433 CO 0.00 -0.07 1.42 0.58 0.23 0.00 0.00 176.35 178.52 1u1i h VAL 434 N 5.47 1.11 0.00 -1.59 2.07 -1.92 -2.96 116.25 118.42 1u1i h VAL 434 Ca -0.36 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1u1i h VAL 434 Cb 1.18 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1u1i h VAL 434 CO 0.57 0.16 0.29 -0.24 0.02 0.00 0.00 177.57 178.37 1u1i n SER 435 N -5.00 0.22 -1.87 0.57 2.88 -1.26 -1.47 113.62 107.69 1u1i n SER 435 Ca -0.08 0.45 -0.04 0.00 -1.33 0.00 0.00 58.87 57.87 1u1i n SER 435 Cb 0.18 -0.41 0.31 0.00 -0.75 0.00 0.00 64.21 63.54 1u1i n SER 435 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1u1i n GLU 436 N -1.79 3.69 -3.49 -1.46 -0.58 -1.12 -4.77 120.64 111.12 1u1i n GLU 436 Ca -0.01 -3.09 -0.33 0.00 -0.42 0.00 0.00 57.16 53.31 1u1i n GLU 436 Cb 0.31 -2.18 -0.05 0.00 -0.57 0.00 0.00 31.44 28.94 1u1i n GLU 436 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1u1i s LEU 437 N -2.98 4.26 0.28 -4.62 1.43 -0.54 -4.99 118.68 111.51 1u1i s LEU 437 Ca 0.54 0.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1u1i s LEU 437 Cb 0.43 -3.39 0.64 0.00 0.03 0.00 0.00 46.19 43.91 1u1i s LEU 437 CO 0.13 0.03 1.71 -0.65 0.23 0.00 0.00 176.35 177.80 1u1i h PRO 438 N 3.03 0.42 -0.97 1.29 0.11 -1.92 0.14 132.00 134.10 1u1i h PRO 438 Ca -0.47 -0.02 0.24 0.00 0.11 0.00 0.00 66.00 65.85 1u1i h PRO 438 Cb 1.18 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 32.07 1u1i h PRO 438 CO 0.69 0.27 0.54 1.25 -0.21 0.00 0.00 178.00 180.54 1u1i h HIS 439 N 0.43 0.91 -0.33 0.65 2.76 -1.96 0.28 115.15 117.89 1u1i h HIS 439 Ca 0.52 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 1u1i h HIS 439 Cb 0.92 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1u1i h HIS 439 CO -0.15 0.04 0.00 1.19 -1.30 0.00 0.00 177.93 177.71 1u1i n PHE 440 N -4.93 0.64 -1.61 5.26 3.72 0.49 -4.90 117.46 116.14 1u1i n PHE 440 Ca 0.25 -0.27 -0.47 0.00 -0.05 0.00 0.00 57.45 56.91 1u1i n PHE 440 Cb 0.71 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 39.13 1u1i n PHE 440 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1u1i n GLU 441 N 0.46 1.50 0.00 -1.08 2.13 0.98 -1.21 120.64 123.43 1u1i n GLU 441 Ca 0.12 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1u1i n GLU 441 Cb 0.43 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.07 1u1i n GLU 441 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1u1i n GLY 442 N 1.94 1.76 0.40 8.31 0.00 -1.26 -4.91 105.19 111.42 1u1i n GLY 442 Ca 0.13 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.35 1u1i n GLY 442 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1u1i h ILE 443 N 0.00 0.69 -0.08 -0.61 6.09 -1.53 0.14 117.51 122.21 1u1i h ILE 443 Ca 0.00 -0.11 0.02 0.00 -1.37 0.00 0.00 64.86 63.40 1u1i h ILE 443 Cb 0.00 0.33 -0.00 0.00 0.47 0.00 0.00 36.82 37.61 1u1i h ILE 443 CO 0.00 0.06 0.41 1.05 -3.07 0.00 0.00 178.15 176.60 1u1i h GLU 444 N 0.33 0.00 0.00 2.19 9.09 -1.83 -1.42 114.58 122.95 1u1i h GLU 444 Ca 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.83 1u1i h GLU 444 Cb 1.17 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1u1i h GLU 444 CO -0.13 0.00 -0.06 -0.22 0.05 0.00 0.00 179.01 178.65 1u1i h LYS 445 N 0.00 0.00 0.00 1.06 3.11 -1.37 -3.32 116.57 116.05 1u1i h LYS 445 Ca 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1u1i h LYS 445 Cb 0.85 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.08 1u1i h LYS 445 CO -0.00 0.06 -0.73 0.66 -2.81 0.00 0.00 179.45 176.62 1u1i n TYR 446 N -3.17 0.00 -3.35 1.91 4.02 -0.60 -4.94 117.16 111.03 1u1i n TYR 446 Ca 0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.65 1u1i n TYR 446 Cb 0.36 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.59 1u1i n TYR 446 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1u1i s ALA 447 N -1.73 1.08 1.20 -0.72 0.00 -0.82 -4.83 121.76 115.93 1u1i s ALA 447 Ca 0.00 -2.25 -0.19 0.00 0.00 0.00 0.00 51.96 49.52 1u1i s ALA 447 Cb 0.00 -1.68 0.28 0.00 0.00 0.00 0.00 23.12 21.73 1u1i s ALA 447 CO 0.00 -2.00 1.11 -1.25 0.00 0.00 0.00 175.76 173.62 1u1i s PRO 448 N 0.20 -1.19 -0.88 0.00 0.04 -1.25 -4.34 135.00 127.57 1u1i s PRO 448 Ca 0.32 -0.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.11 1u1i s PRO 448 Cb 0.02 -1.60 0.12 0.00 0.04 0.00 0.00 34.50 33.08 1u1i s PRO 448 CO -0.17 -3.69 1.09 0.12 0.04 0.00 0.00 177.00 174.39 1u1i s PHE 449 N -3.01 3.06 -0.27 0.56 5.36 -1.26 -4.78 117.98 117.64 1u1i s PHE 449 Ca 0.71 -1.27 -0.10 0.00 -0.96 0.00 0.00 56.93 55.31 1u1i s PHE 449 Cb -0.10 -4.28 0.11 0.00 -0.34 0.00 0.00 43.02 38.42 1u1i s PHE 449 CO 0.56 -1.51 0.59 0.45 -1.46 0.00 0.00 175.22 173.86 1u1i s SER 450 N 3.65 -0.90 0.08 6.13 0.15 -1.26 -4.90 113.70 116.65 1u1i s SER 450 Ca 0.31 1.41 0.09 0.00 0.70 0.00 0.00 55.95 58.46 1u1i s SER 450 Cb -0.07 1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 66.14 1u1i s SER 450 CO -0.07 -0.22 -0.22 -0.36 1.20 0.00 0.00 173.24 173.58 1u1i s PHE 451 N 2.65 2.45 -0.16 3.44 0.08 -1.26 0.03 117.98 125.21 1u1i s PHE 451 Ca -0.06 -0.31 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 1u1i s PHE 451 Cb -0.11 -1.37 -0.01 0.00 -0.57 0.00 0.00 43.02 40.96 1u1i s PHE 451 CO -0.17 0.29 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.91 1u1i s GLU 452 N -1.74 3.32 -0.10 0.44 8.01 -0.68 -4.89 118.70 123.07 1u1i s GLU 452 Ca 0.15 -0.69 0.01 0.00 0.01 0.00 0.00 54.97 54.45 1u1i s GLU 452 Cb -0.10 -2.73 -0.02 0.00 -4.31 0.00 0.00 34.13 26.96 1u1i s GLU 452 CO 0.06 0.03 -0.13 -0.06 0.01 0.00 0.00 175.26 175.17 1u1i s PHE 453 N 0.82 2.77 0.32 1.61 0.08 -1.26 -1.32 117.98 121.00 1u1i s PHE 453 Ca -0.04 -0.43 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 1u1i s PHE 453 Cb -0.15 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1u1i s PHE 453 CO 0.01 -0.04 0.59 0.20 -0.10 0.00 0.00 175.22 175.88 1u1i s GLY 454 N -0.11 0.75 0.00 4.36 0.00 -1.17 -4.87 107.32 106.28 1u1i s GLY 454 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1u1i s GLY 454 CO 0.03 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.13 1u1i n GLY 455 N -0.49 0.74 3.69 0.20 0.00 -1.26 -0.90 105.19 107.16 1u1i n GLY 455 Ca -0.03 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 1u1i n GLY 455 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u1i s HIS 456 N -2.00 3.27 -0.00 1.61 3.76 0.18 -1.31 115.29 120.80 1u1i s HIS 456 Ca 0.00 0.18 0.02 0.00 -0.15 0.00 0.00 55.06 55.11 1u1i s HIS 456 Cb 0.00 -1.94 -0.00 0.00 1.11 0.00 0.00 32.58 31.74 1u1i s HIS 456 CO 0.00 0.37 -0.05 -2.00 -0.85 0.00 0.00 174.74 172.20 1u1i s GLU 457 N -0.34 0.45 -0.00 1.40 2.56 0.50 0.10 118.70 123.36 1u1i s GLU 457 Ca 0.08 -0.19 0.21 0.00 0.00 0.00 0.00 54.97 55.07 1u1i s GLU 457 Cb -0.12 -0.43 -0.19 0.00 2.00 0.00 0.00 34.13 35.38 1u1i s GLU 457 CO 0.02 0.11 0.90 0.44 -0.56 0.00 0.00 175.26 176.18 1u1i n ILE 458 N 2.96 0.00 -2.22 -3.70 -5.35 -1.26 -0.63 119.36 109.16 1u1i n ILE 458 Ca -0.13 -0.03 -0.35 0.00 -0.27 0.00 0.00 62.75 61.97 1u1i n ILE 458 Cb 0.58 0.89 0.02 0.00 -1.74 0.00 0.00 39.64 39.39 1u1i n ILE 458 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1u1i n ARG 459 N -1.55 3.21 -1.54 6.28 0.63 -1.26 -4.73 116.66 117.70 1u1i n ARG 459 Ca 0.04 -4.02 -0.50 0.00 -0.92 0.00 0.00 57.85 52.45 1u1i n ARG 459 Cb 0.35 -2.28 -0.04 0.00 0.45 0.00 0.00 32.46 30.94 1u1i n ARG 459 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1u1i n LEU 460 N -0.47 0.93 0.00 6.15 4.77 -1.26 -5.00 117.00 122.12 1u1i n LEU 460 Ca 0.47 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.60 1u1i n LEU 460 Cb 0.39 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1u1i n LEU 460 CO 0.44 -1.64 0.00 0.18 -1.33 0.00 0.00 177.39 175.03 1u1i n LEU 461 N 1.88 0.00 0.04 2.23 4.32 -1.26 -5.07 117.00 119.14 1u1i n LEU 461 Ca 0.16 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.92 1u1i n LEU 461 Cb 0.23 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.89 1u1i n LEU 461 CO 0.60 0.00 -0.45 0.28 -1.22 0.00 0.00 177.39 176.61 1u1i h SER 462 N 0.00 0.51 -2.87 -1.43 0.02 -1.94 -3.48 113.55 104.36 1u1i h SER 462 Ca 0.00 -0.90 -0.05 0.00 -0.84 0.00 0.00 61.79 60.00 1u1i h SER 462 Cb 0.00 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1u1i h SER 462 CO 0.00 1.69 0.22 -0.46 -1.14 0.00 0.00 176.83 177.13 1u1i n ASN 463 N -3.78 -2.01 0.17 3.07 0.23 -1.26 -4.65 115.26 107.03 1u1i n ASN 463 Ca -0.24 -2.46 0.03 0.00 -0.53 0.00 0.00 54.58 51.38 1u1i n ASN 463 Cb 0.98 3.36 0.26 0.00 -2.08 0.00 0.00 39.78 42.31 1u1i n ASN 463 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u1i h ALA 464 N 2.00 0.95 -0.57 -2.53 0.00 0.58 -3.30 119.26 116.40 1u1i h ALA 464 Ca -0.30 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.14 1u1i h ALA 464 Cb 1.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1u1i h ALA 464 CO 0.38 0.57 0.12 -0.92 0.00 0.00 0.00 179.25 179.40 1u1i h TYR 465 N 0.00 0.97 0.00 0.00 3.20 -1.82 0.15 116.97 119.47 1u1i h TYR 465 Ca -0.00 -0.12 -0.06 0.00 3.14 0.00 0.00 58.73 61.68 1u1i h TYR 465 Cb 1.00 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1u1i h TYR 465 CO 0.00 0.84 -0.29 0.93 -1.64 0.00 0.00 178.16 178.00 1u1i h GLU 466 N 0.82 0.00 -0.14 1.82 4.39 -1.92 0.21 114.58 119.75 1u1i h GLU 466 Ca 0.18 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.72 1u1i h GLU 466 Cb 0.37 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1u1i h GLU 466 CO 0.01 0.29 -0.53 0.00 -1.16 0.00 0.00 179.01 177.62 1u1i h ALA 467 N 1.71 0.25 -0.24 3.43 0.00 -1.55 -0.91 119.26 121.95 1u1i h ALA 467 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1u1i h ALA 467 Cb 1.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1u1i h ALA 467 CO 0.04 0.45 0.12 0.00 0.00 0.00 0.00 179.25 179.86 1u1i h ALA 468 N 0.52 0.31 -0.50 0.00 0.00 -0.61 -1.83 119.26 117.16 1u1i h ALA 468 Ca -0.03 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1u1i h ALA 468 Cb 1.16 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1u1i h ALA 468 CO 0.11 -0.13 0.23 -0.22 0.00 0.00 0.00 179.25 179.24 1u1i h LYS 469 N 0.27 0.44 0.09 0.00 3.64 -0.99 0.15 116.57 120.16 1u1i h LYS 469 Ca 0.08 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1u1i h LYS 469 Cb 0.10 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1u1i h LYS 469 CO -0.01 0.29 -0.40 1.49 -2.27 0.00 0.00 179.45 178.55 1u1i h GLU 470 N 0.45 -0.59 -0.48 1.90 4.81 -0.93 0.41 114.58 120.16 1u1i h GLU 470 Ca 0.22 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 1u1i h GLU 470 Cb 0.17 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 1u1i h GLU 470 CO -0.18 -0.39 0.07 0.45 -0.73 0.00 0.00 179.01 178.23 1u1i h HIS 471 N -0.61 0.10 -0.83 0.92 3.86 -0.85 -0.00 115.15 117.74 1u1i h HIS 471 Ca 0.03 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1u1i h HIS 471 Cb 0.66 0.03 -0.05 0.00 1.06 0.00 0.00 27.41 29.11 1u1i h HIS 471 CO -0.37 -0.03 0.54 2.35 0.86 0.00 0.00 177.93 181.28 1u1i h TRP 472 N 0.20 0.98 -0.93 2.45 7.01 -0.36 -1.77 115.95 123.54 1u1i h TRP 472 Ca 0.24 0.02 0.20 0.00 2.11 0.00 0.00 58.89 61.46 1u1i h TRP 472 Cb 0.33 -0.33 -0.11 0.00 -2.10 0.00 0.00 29.16 26.95 1u1i h TRP 472 CO -0.24 0.56 0.49 0.93 -2.79 0.00 0.00 178.44 177.39 1u1i h GLU 473 N 1.01 0.56 0.03 2.65 4.39 0.19 0.35 114.58 123.75 1u1i h GLU 473 Ca 0.33 -0.03 -0.35 0.00 0.34 0.00 0.00 59.36 59.65 1u1i h GLU 473 Cb 0.05 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 1u1i h GLU 473 CO -0.10 0.37 -1.97 1.28 -1.16 0.00 0.00 179.01 177.43 1u1i n LEU 474 N -4.91 2.25 0.06 1.33 4.77 -1.09 -4.66 117.00 114.75 1u1i n LEU 474 Ca 0.22 0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 56.27 1u1i n LEU 474 Cb 0.59 -0.96 -0.14 0.00 -2.33 0.00 0.00 43.42 40.58 1u1i n LEU 474 CO 0.18 0.60 -0.47 0.78 -1.33 0.00 0.00 177.39 177.14 1u1i h ASN 475 N -0.59 0.47 -6.08 -1.43 2.35 -1.15 -3.49 115.58 105.66 1u1i h ASN 475 Ca -0.50 -0.71 -0.42 0.00 -0.55 0.00 0.00 56.30 54.12 1u1i h ASN 475 Cb 1.65 -0.15 0.05 0.00 0.05 0.00 0.00 38.32 39.92 1u1i h ASN 475 CO -0.18 1.60 -0.80 0.54 -1.65 0.00 0.00 177.43 176.95 1u1i n ARG 476 N -3.49 -5.47 -0.26 0.81 1.74 0.12 -4.86 116.66 105.25 1u1i n ARG 476 Ca -0.21 0.65 0.04 0.00 -0.77 0.00 0.00 57.85 57.56 1u1i n ARG 476 Cb 1.06 -5.38 0.15 0.00 -1.02 0.00 0.00 32.46 27.27 1u1i n ARG 476 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1u1i n HIS 477 N -4.42 0.63 -3.62 -1.55 1.44 -1.26 -4.85 115.22 101.59 1u1i n HIS 477 Ca -0.19 -0.25 -0.05 0.00 -2.01 0.00 0.00 57.72 55.23 1u1i n HIS 477 Cb 0.63 -0.14 -0.04 0.00 0.12 0.00 0.00 29.99 30.56 1u1i n HIS 477 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1u1i s PHE 478 N -1.66 -0.14 -0.07 -1.40 -0.71 -1.26 -5.03 117.98 107.72 1u1i s PHE 478 Ca 0.21 0.23 -0.26 0.00 -1.04 0.00 0.00 56.93 56.07 1u1i s PHE 478 Cb 0.14 0.48 -0.13 0.00 -1.21 0.00 0.00 43.02 42.30 1u1i s PHE 478 CO 0.10 -0.14 0.75 -0.25 -1.34 0.00 0.00 175.22 174.34 1u1i n ASP 479 N 0.53 0.16 -0.27 1.98 8.00 -1.26 -4.84 116.55 120.85 1u1i n ASP 479 Ca -0.03 0.74 0.04 0.00 0.71 0.00 0.00 54.79 56.25 1u1i n ASP 479 Cb 0.59 -0.58 0.18 0.00 -0.02 0.00 0.00 41.12 41.28 1u1i n ASP 479 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1u1i h ARG 480 N 2.17 0.58 -0.06 -1.24 2.43 -2.00 -2.35 114.38 113.90 1u1i h ARG 480 Ca -0.31 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.77 1u1i h ARG 480 Cb 0.90 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1u1i h ARG 480 CO 0.46 0.38 -0.21 0.93 -1.51 0.00 0.00 179.97 180.02 1u1i h GLU 481 N 0.59 0.10 -0.65 0.20 3.07 -2.01 -2.98 114.58 112.91 1u1i h GLU 481 Ca 0.40 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.23 1u1i h GLU 481 Cb 0.51 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1u1i h GLU 481 CO -0.32 0.31 0.36 0.82 -1.40 0.00 0.00 179.01 178.78 1u1i h ILE 482 N 0.09 1.20 -0.25 3.13 1.08 -1.77 -1.92 117.51 119.08 1u1i h ILE 482 Ca 0.02 -0.51 -0.05 0.00 -0.39 0.00 0.00 64.86 63.92 1u1i h ILE 482 Cb 0.43 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.52 1u1i h ILE 482 CO 0.03 0.22 -0.09 0.25 -0.69 0.00 0.00 178.15 177.87 1u1i h LEU 483 N 0.89 0.37 0.52 1.44 5.85 -1.63 -0.26 115.31 122.49 1u1i h LEU 483 Ca 0.23 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1u1i h LEU 483 Cb 0.04 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 40.97 1u1i h LEU 483 CO -0.04 0.51 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.99 1u1i h GLU 484 N 0.37 -0.68 -0.64 1.25 4.39 -1.49 1.43 114.58 119.22 1u1i h GLU 484 Ca 0.08 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.94 1u1i h GLU 484 Cb 0.39 0.15 -0.12 0.00 -0.10 0.00 0.00 28.75 29.07 1u1i h GLU 484 CO 0.02 -0.39 -0.32 0.00 -1.16 0.00 0.00 179.01 177.16 1u1i h ALA 485 N -0.46 0.05 0.00 3.43 0.00 -1.06 -0.68 119.26 120.54 1u1i h ALA 485 Ca -0.07 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1u1i h ALA 485 Cb 0.60 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1u1i h ALA 485 CO 0.12 -0.63 -0.35 0.28 0.00 0.00 0.00 179.25 178.66 1u1i h VAL 486 N -0.13 0.66 -0.77 0.00 2.07 -1.02 -3.39 116.25 113.67 1u1i h VAL 486 Ca 0.26 -1.72 0.07 0.00 0.82 0.00 0.00 66.70 66.13 1u1i h VAL 486 Cb 0.55 2.16 -0.09 0.00 -1.52 0.00 0.00 31.29 32.39 1u1i h VAL 486 CO -0.71 0.35 -0.46 1.17 0.02 0.00 0.00 177.57 177.94 1u1i n LYS 487 N -3.27 -0.34 0.11 1.57 4.81 0.49 0.13 118.16 121.67 1u1i n LYS 487 Ca 0.02 1.27 0.20 0.00 -0.87 0.00 0.00 58.31 58.92 1u1i n LYS 487 Cb 0.61 -1.87 0.76 0.00 0.02 0.00 0.00 35.03 34.56 1u1i n LYS 487 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1u1i h SER 488 N 0.00 0.00 0.01 3.14 4.64 -1.76 -0.90 113.55 118.67 1u1i h SER 488 Ca 0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1u1i h SER 488 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1u1i h SER 488 CO -0.73 0.00 -0.00 0.44 -0.87 0.00 0.00 176.83 175.67 1u1i h ASP 489 N 0.00 -0.01 -0.71 4.97 3.45 0.81 -3.29 116.42 121.64 1u1i h ASP 489 Ca 0.17 -0.56 -0.00 0.00 0.43 0.00 0.00 57.03 57.07 1u1i h ASP 489 Cb 0.94 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.67 1u1i h ASP 489 CO -0.00 0.77 0.45 -0.07 -1.57 0.00 0.00 179.24 178.81 1u1i h LEU 490 N -0.99 0.84 -1.52 1.55 3.38 -1.27 -0.91 115.31 116.38 1u1i h LEU 490 Ca -0.00 -0.04 0.32 0.00 0.09 0.00 0.00 57.88 58.26 1u1i h LEU 490 Cb 0.57 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 1u1i h LEU 490 CO 0.00 0.63 0.76 -0.08 0.09 0.00 0.00 178.44 179.85 1u1i h GLU 491 N 0.98 0.23 -0.74 1.13 4.81 -1.29 1.31 114.58 121.02 1u1i h GLU 491 Ca 0.26 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1u1i h GLU 491 Cb -0.07 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1u1i h GLU 491 CO -0.05 0.15 0.00 0.41 -0.73 0.00 0.00 179.01 178.79 1u1i n GLY 492 N -1.56 2.15 3.26 1.92 0.00 -0.35 -4.65 105.19 105.96 1u1i n GLY 492 Ca 0.28 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1u1i n GLY 492 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1i s ILE 493 N -1.89 3.23 -0.36 -0.61 1.01 0.45 -5.01 121.20 118.01 1u1i s ILE 493 Ca 0.29 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1u1i s ILE 493 Cb 0.21 -2.59 0.10 0.00 0.01 0.00 0.00 42.46 40.20 1u1i s ILE 493 CO 0.09 0.24 0.09 -0.69 0.00 0.00 0.00 174.94 174.67 1u1i s VAL 494 N 1.40 2.00 1.22 2.92 1.01 -1.26 0.66 120.40 128.35 1u1i s VAL 494 Ca 0.02 -2.27 -0.18 0.00 0.00 0.00 0.00 61.98 59.56 1u1i s VAL 494 Cb -0.16 -2.47 0.25 0.00 0.00 0.00 0.00 36.38 33.99 1u1i s VAL 494 CO -0.03 -0.65 0.57 0.00 0.00 0.00 0.00 175.10 174.99 1u1i n ALA 495 N 4.23 -3.49 -2.63 5.51 0.00 -1.26 -4.80 120.51 118.07 1u1i n ALA 495 Ca 0.03 -1.41 -0.28 0.00 0.00 0.00 0.00 53.44 51.77 1u1i n ALA 495 Cb 0.41 -1.53 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 1u1i n ALA 495 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u1i s ARG 496 N -4.13 1.98 -0.39 0.00 1.81 -0.43 -4.83 118.95 112.97 1u1i s ARG 496 Ca 0.59 -2.18 -0.29 0.00 -1.72 0.00 0.00 55.73 52.13 1u1i s ARG 496 Cb -0.15 -1.37 0.00 0.00 -0.45 0.00 0.00 34.95 32.98 1u1i s ARG 496 CO 0.57 -0.22 1.51 -1.59 -0.68 0.00 0.00 175.30 174.89 1u1i s LYS 497 N -3.79 3.52 0.00 3.54 0.00 -1.21 0.19 119.74 121.99 1u1i s LYS 497 Ca 0.25 1.07 0.00 0.00 0.00 0.00 0.00 55.97 57.29 1u1i s LYS 497 Cb 0.06 -4.07 0.00 0.00 0.00 0.00 0.00 37.83 33.83 1u1i s LYS 497 CO 0.12 -1.63 0.00 0.41 0.00 0.00 0.00 175.35 174.26 1u1i n GLY 498 N 5.15 -0.79 0.00 0.59 0.00 0.20 -4.77 105.19 105.56 1u1i n GLY 498 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1u1i n GLY 498 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1u1i n THR 499 N 0.00 0.00 -2.07 2.61 5.66 -1.26 -4.66 114.28 114.57 1u1i n THR 499 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 1u1i n THR 499 Cb 0.00 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 1u1i n THR 499 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u1i n ALA 500 N -0.17 4.73 -1.52 1.79 0.00 -1.26 -4.79 120.51 119.30 1u1i n ALA 500 Ca 0.00 -3.67 -0.39 0.00 0.00 0.00 0.00 53.44 49.38 1u1i n ALA 500 Cb 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 1u1i n ALA 500 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u1i n LEU 501 N -0.72 0.91 -1.86 0.00 0.00 -1.26 -3.10 117.00 110.97 1u1i n LEU 501 Ca 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 56.01 56.33 1u1i n LEU 501 Cb 0.94 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 43.23 1u1i n LEU 501 CO 0.35 -1.03 -0.11 0.59 0.00 0.00 0.00 177.39 177.19 1u1i n ASN 502 N 12.21 -3.73 0.00 1.96 3.02 -1.26 -1.88 115.26 125.57 1u1i n ASN 502 Ca 0.57 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 1u1i n ASN 502 Cb 0.20 -2.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.11 1u1i n ASN 502 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u1i n GLY 504 N -0.42 1.75 0.00 0.00 0.00 -1.26 -4.40 105.19 100.86 1u1i n GLY 504 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1u1i n GLY 504 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u1i n SER 505 N 1.58 0.00 -3.17 1.61 7.64 -1.26 -5.11 113.62 114.91 1u1i n SER 505 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1u1i n SER 505 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1u1i n SER 505 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u1i n GLY 506 N 0.00 3.70 3.65 0.23 0.00 -1.26 -5.10 105.19 106.40 1u1i n GLY 506 Ca 0.00 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 1u1i n GLY 506 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u1i s ILE 507 N -2.48 2.82 -0.45 -0.61 -1.16 -1.26 -4.82 121.20 113.24 1u1i s ILE 507 Ca 0.40 -1.93 0.07 0.00 -0.51 0.00 0.00 60.65 58.68 1u1i s ILE 507 Cb 0.33 -2.82 0.29 0.00 0.61 0.00 0.00 42.46 40.87 1u1i s ILE 507 CO -0.09 -0.23 0.93 0.29 -2.81 0.00 0.00 174.94 173.03 1u1i n LYS 508 N -0.97 0.90 0.00 3.50 4.01 -1.26 -4.97 118.16 119.37 1u1i n LYS 508 Ca -0.04 -2.21 0.00 0.00 -0.51 0.00 0.00 58.31 55.54 1u1i n LYS 508 Cb 0.62 -1.29 0.00 0.00 -0.51 0.00 0.00 35.03 33.85 1u1i n LYS 508 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1u1i n GLU 509 N 0.88 0.00 0.00 1.97 0.28 -1.26 -4.98 120.64 117.52 1u1i n GLU 509 Ca 0.11 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.24 1u1i n GLU 509 Cb 0.65 0.00 0.69 0.00 1.43 0.00 0.00 31.44 34.21 1u1i n GLU 509 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1u1i n LEU 510 N 0.00 0.00 0.00 -1.84 4.32 -1.26 -4.82 117.00 113.40 1u1i n LEU 510 Ca 0.00 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 1u1i n LEU 510 Cb 0.00 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.60 1u1i n LEU 510 CO 0.00 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 176.75 1u1i n GLY 511 N 0.83 0.00 0.00 -0.72 0.00 -1.26 0.85 105.19 104.88 1u1i n GLY 511 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1u1i n GLY 511 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u1i n ASP 512 N 0.00 0.00 -4.49 1.61 9.92 -1.26 -4.77 116.55 117.56 1u1i n ASP 512 Ca 0.00 -1.11 -0.42 0.00 -0.53 0.00 0.00 54.79 52.73 1u1i n ASP 512 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1u1i n ASP 512 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1u1i s ILE 513 N -2.00 4.12 -0.37 0.53 1.01 0.25 -4.84 121.20 119.90 1u1i s ILE 513 Ca 0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 1u1i s ILE 513 Cb 0.17 -4.76 0.24 0.00 0.01 0.00 0.00 42.46 38.12 1u1i s ILE 513 CO 0.28 -1.58 1.10 0.29 0.00 0.00 0.00 174.94 175.03 1u1i n LYS 514 N 8.27 0.22 0.00 2.79 4.76 -1.26 -4.90 118.16 128.03 1u1i n LYS 514 Ca -0.01 -0.96 0.16 0.00 -2.87 0.00 0.00 58.31 54.62 1u1i n LYS 514 Cb 0.47 -0.31 0.90 0.00 -1.84 0.00 0.00 35.03 34.25 1u1i n LYS 514 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1u1i n THR 515 N 2.13 0.00 0.00 -0.18 -1.04 -1.26 -3.66 114.28 110.27 1u1i n THR 515 Ca 0.08 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1u1i n THR 515 Cb 0.66 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 1u1i n THR 515 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1u1i n LEU 516 N -1.02 0.00 0.27 -4.42 7.99 -1.26 -4.67 117.00 113.89 1u1i n LEU 516 Ca 0.22 0.00 0.18 0.00 -0.01 0.00 0.00 56.01 56.40 1u1i n LEU 516 Cb 0.14 0.00 0.94 0.00 -0.11 0.00 0.00 43.42 44.39 1u1i n LEU 516 CO 0.19 0.00 1.15 -0.08 -1.51 0.00 0.00 177.39 177.14 1u1i h GLU 517 N 0.00 0.00 -1.02 3.23 4.81 -1.84 0.37 114.58 120.13 1u1i h GLU 517 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 1u1i h GLU 517 Cb 0.00 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 29.09 1u1i h GLU 517 CO 0.00 0.00 0.68 0.41 -0.73 0.00 0.00 179.01 179.37 1u1i n GLY 518 N -1.27 4.73 0.00 1.92 0.00 -1.26 -4.06 105.19 105.25 1u1i n GLY 518 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1u1i n GLY 518 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1u1i n GLU 519 N -0.97 2.02 -1.32 1.61 2.13 0.12 -4.70 120.64 119.52 1u1i n GLU 519 Ca 0.57 -1.18 0.00 0.00 0.66 0.00 0.00 57.16 57.21 1u1i n GLU 519 Cb 1.34 -0.86 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1u1i n GLU 519 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1u1i n GLY 520 N -0.34 0.48 3.07 8.31 0.00 -1.26 -5.04 105.19 110.41 1u1i n GLY 520 Ca 0.00 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 1u1i n GLY 520 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1i s LEU 521 N -2.28 2.03 0.99 0.99 1.02 -1.26 -5.10 118.68 115.06 1u1i s LEU 521 Ca 0.00 -0.22 -0.12 0.00 0.02 0.00 0.00 54.13 53.81 1u1i s LEU 521 Cb 0.00 -0.60 0.18 0.00 0.02 0.00 0.00 46.19 45.79 1u1i s LEU 521 CO 0.00 0.14 1.08 -0.94 0.02 0.00 0.00 176.35 176.65 1u1i s SER 522 N -0.32 2.64 0.08 2.29 1.04 -1.26 -4.76 113.70 113.41 1u1i s SER 522 Ca 0.04 1.44 -0.35 0.00 0.48 0.00 0.00 55.95 57.56 1u1i s SER 522 Cb -0.05 -2.12 -0.17 0.00 0.10 0.00 0.00 66.02 63.79 1u1i s SER 522 CO -0.00 -3.15 1.58 0.25 0.98 0.00 0.00 173.24 172.89 1u1i h LEU 523 N -1.90 -1.25 -1.47 2.42 5.85 -1.92 0.88 115.31 117.92 1u1i h LEU 523 Ca -0.53 0.09 0.19 0.00 0.84 0.00 0.00 57.88 58.47 1u1i h LEU 523 Cb 1.31 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 42.67 1u1i h LEU 523 CO 0.54 -0.66 0.59 0.00 -0.34 0.00 0.00 178.44 178.57 1u1i h ALA 524 N -0.83 2.14 0.00 1.25 0.00 -1.55 -0.67 119.26 119.60 1u1i h ALA 524 Ca -0.07 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1u1i h ALA 524 Cb 0.86 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1u1i h ALA 524 CO -0.01 -0.42 -0.53 1.49 0.00 0.00 0.00 179.25 179.78 1u1i h GLU 525 N 0.45 0.00 0.17 0.00 4.81 -1.63 -3.25 114.58 115.13 1u1i h GLU 525 Ca 0.47 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.38 1u1i h GLU 525 Cb 1.10 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.49 1u1i h GLU 525 CO -0.19 0.53 -1.47 0.52 -0.73 0.00 0.00 179.01 177.67 1u1i h MET 526 N 0.00 0.35 0.34 1.92 2.86 0.67 -3.33 114.93 117.74 1u1i h MET 526 Ca -0.01 -0.61 -0.01 0.00 -2.06 0.00 0.00 59.70 57.02 1u1i h MET 526 Cb 1.09 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.96 1u1i h MET 526 CO 0.07 1.26 -0.35 -0.39 1.06 0.00 0.00 176.91 178.56 1u1i h VAL 527 N 0.10 0.00 -0.08 -2.22 -1.51 -1.46 -0.38 116.25 110.70 1u1i h VAL 527 Ca -0.23 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.26 1u1i h VAL 527 Cb 2.06 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1u1i h VAL 527 CO 0.21 0.00 0.52 0.77 -1.23 0.00 0.00 177.57 177.84 1u1i h SER 528 N -0.69 0.00 0.03 4.19 4.64 -1.72 1.84 113.55 121.83 1u1i h SER 528 Ca -0.04 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.16 1u1i h SER 528 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1u1i h SER 528 CO -0.05 0.00 -0.61 -0.09 -0.87 0.00 0.00 176.83 175.21 1u1i h ARG 529 N 0.00 0.05 -0.68 4.77 2.43 -1.60 -3.20 114.38 116.15 1u1i h ARG 529 Ca 0.04 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1u1i h ARG 529 Cb 1.09 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1u1i h ARG 529 CO -0.00 1.04 0.37 0.82 -1.51 0.00 0.00 179.97 180.69 1u1i h ILE 530 N -0.86 1.21 0.00 1.20 2.04 0.38 -1.28 117.51 120.19 1u1i h ILE 530 Ca -0.15 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1u1i h ILE 530 Cb 1.24 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1u1i h ILE 530 CO -0.04 0.23 0.00 -0.62 0.00 0.00 0.00 178.15 177.72 1u1i n GLU 531 N -4.37 0.20 0.00 2.37 1.02 0.51 -3.13 120.64 117.25 1u1i n GLU 531 Ca 0.07 0.28 0.10 0.00 -0.02 0.00 0.00 57.16 57.59 1u1i n GLU 531 Cb 0.10 -1.79 -0.04 0.00 -0.02 0.00 0.00 31.44 29.69 1u1i n GLU 531 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1u1i n GLU 532 N -2.16 0.00 -0.04 3.49 0.00 -0.54 -3.57 120.64 117.82 1u1i n GLU 532 Ca 0.04 -0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.05 1u1i n GLU 532 Cb 0.34 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.14 1u1i n GLU 532 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1u1i n ASP 533 N -1.50 1.36 0.07 4.31 8.00 -0.87 -3.79 116.55 124.13 1u1i n ASP 533 Ca 0.04 0.20 -0.11 0.00 0.71 0.00 0.00 54.79 55.63 1u1i n ASP 533 Cb 0.33 -0.25 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 1u1i n ASP 533 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1u1i h ILE 534 N 0.03 1.49 -0.01 0.53 2.04 -1.74 -3.25 117.51 116.60 1u1i h ILE 534 Ca -0.42 -3.16 -0.00 0.00 1.00 0.00 0.00 64.86 62.28 1u1i h ILE 534 Cb 2.04 2.82 -0.00 0.00 -0.74 0.00 0.00 36.82 40.94 1u1i h ILE 534 CO 0.05 0.88 0.00 0.50 0.00 0.00 0.00 178.15 179.59 1u1i h LYS 535 N 0.03 0.01 -0.48 2.37 3.64 -1.76 0.41 116.57 120.80 1u1i h LYS 535 Ca -0.11 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.41 1u1i h LYS 535 Cb 1.89 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.69 1u1i h LYS 535 CO 0.15 0.26 0.41 0.77 -2.27 0.00 0.00 179.45 178.77 1u1i h SER 536 N -0.23 0.00 0.12 4.20 0.02 -1.68 -0.51 113.55 115.46 1u1i h SER 536 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.67 1u1i h SER 536 Cb 0.25 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 1u1i h SER 536 CO 0.00 0.00 -2.17 0.33 -1.14 0.00 0.00 176.83 173.85 1u1i n PHE 537 N -4.06 0.20 -2.47 3.45 7.35 -1.12 -5.02 117.46 115.78 1u1i n PHE 537 Ca 0.09 0.07 -0.34 0.00 -0.76 0.00 0.00 57.45 56.51 1u1i n PHE 537 Cb 0.61 -0.95 -0.03 0.00 0.35 0.00 0.00 39.48 39.46 1u1i n PHE 537 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1u1i s ALA 538 N -2.70 2.84 0.00 3.13 0.00 0.14 -5.03 121.76 120.14 1u1i s ALA 538 Ca -0.08 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1u1i s ALA 538 Cb 0.08 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1u1i s ALA 538 CO 0.84 -0.40 0.00 -0.40 0.00 0.00 0.00 175.76 175.80 1u1i n ASP 539 N -1.08 0.00 0.00 0.00 3.85 -1.26 -4.91 116.55 113.14 1u1i n ASP 539 Ca 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.17 1u1i n ASP 539 Cb 0.52 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.29 1u1i n ASP 539 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1u1i n ASP 540 N 0.00 0.93 0.00 -1.12 8.00 -1.26 -4.63 116.55 118.47 1u1i n ASP 540 Ca 0.00 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1u1i n ASP 540 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1u1i n ASP 540 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1u1i n GLU 541 N -0.07 -0.51 -2.99 -1.24 1.02 -1.26 -5.06 120.64 110.53 1u1i n GLU 541 Ca 0.00 -0.62 -0.36 0.00 -0.02 0.00 0.00 57.16 56.16 1u1i n GLU 541 Cb 0.09 -1.00 -0.06 0.00 -0.02 0.00 0.00 31.44 30.45 1u1i n GLU 541 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1u1i s THR 542 N -0.12 4.46 0.04 2.62 2.01 -1.26 -3.16 115.64 120.23 1u1i s THR 542 Ca 0.00 1.43 0.02 0.00 0.31 0.00 0.00 61.69 63.44 1u1i s THR 542 Cb 0.00 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1u1i s THR 542 CO 0.00 0.12 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.29 1u1i s VAL 543 N -1.63 0.45 -0.18 3.82 1.01 0.28 -4.43 120.40 119.72 1u1i s VAL 543 Ca 0.47 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1u1i s VAL 543 Cb -0.16 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1u1i s VAL 543 CO 0.21 -0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 174.18 1u1i s VAL 544 N -1.35 3.49 0.05 2.92 1.01 0.14 -1.52 120.40 125.14 1u1i s VAL 544 Ca -0.11 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.49 1u1i s VAL 544 Cb -0.10 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1u1i s VAL 544 CO 0.00 0.46 -0.25 -0.63 0.00 0.00 0.00 175.10 174.68 1u1i s ILE 545 N 0.91 2.06 -0.31 2.22 1.01 -0.76 -0.42 121.20 125.92 1u1i s ILE 545 Ca -0.01 -1.39 -0.07 0.00 0.00 0.00 0.00 60.65 59.18 1u1i s ILE 545 Cb -0.15 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.57 1u1i s ILE 545 CO 0.01 0.31 0.09 0.21 0.00 0.00 0.00 174.94 175.56 1u1i s ASN 546 N -1.30 5.20 -0.35 3.58 3.84 0.43 -2.40 114.94 123.94 1u1i s ASN 546 Ca 0.11 -0.81 0.15 0.00 0.21 0.00 0.00 52.86 52.52 1u1i s ASN 546 Cb -0.10 -1.89 0.45 0.00 -0.55 0.00 0.00 41.25 39.16 1u1i s ASN 546 CO 0.02 -0.23 0.97 0.55 -2.79 0.00 0.00 177.10 175.63 1u1i n VAL 547 N 4.86 1.24 -2.59 -5.21 3.14 -1.00 -1.58 118.33 117.20 1u1i n VAL 547 Ca -0.14 -3.51 -0.23 0.00 -2.96 0.00 0.00 64.34 57.51 1u1i n VAL 547 Cb 0.47 0.23 0.08 0.00 -1.06 0.00 0.00 33.84 33.57 1u1i n VAL 547 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1u1i s ALA 548 N -3.18 3.76 0.46 1.55 0.00 -1.06 -4.62 121.76 118.67 1u1i s ALA 548 Ca 0.32 -1.57 -0.25 0.00 0.00 0.00 0.00 51.96 50.46 1u1i s ALA 548 Cb 0.44 -2.05 -0.08 0.00 0.00 0.00 0.00 23.12 21.44 1u1i s ALA 548 CO -0.01 -1.22 1.41 -1.12 0.00 0.00 0.00 175.76 174.82 1u1i s SER 549 N -4.63 5.83 0.66 0.00 0.01 -1.26 -4.87 113.70 109.45 1u1i s SER 549 Ca 0.63 2.87 -0.16 0.00 1.31 0.00 0.00 55.95 60.60 1u1i s SER 549 Cb -0.07 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1u1i s SER 549 CO 0.42 -1.20 1.19 -0.89 0.41 0.00 0.00 173.24 173.17 1u1i s THR 550 N -1.22 2.61 0.13 1.44 2.01 -1.26 -4.95 115.64 114.39 1u1i s THR 550 Ca 0.62 0.33 0.08 0.00 0.31 0.00 0.00 61.69 63.03 1u1i s THR 550 Cb -0.43 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1u1i s THR 550 CO 0.54 -0.13 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.55 1u1i s GLU 551 N -3.72 1.14 1.20 4.92 2.02 -1.26 -4.98 118.70 118.02 1u1i s GLU 551 Ca 0.74 -1.25 -0.19 0.00 0.02 0.00 0.00 54.97 54.29 1u1i s GLU 551 Cb -0.28 -1.25 0.29 0.00 0.10 0.00 0.00 34.13 32.98 1u1i s GLU 551 CO 0.40 0.27 1.12 -1.25 0.02 0.00 0.00 175.26 175.82 1u1i s PRO 552 N -2.35 -1.19 0.62 0.39 0.04 -1.25 -4.52 135.00 126.75 1u1i s PRO 552 Ca 0.10 -0.11 -0.18 0.00 0.04 0.00 0.00 61.00 60.85 1u1i s PRO 552 Cb -0.08 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 1u1i s PRO 552 CO 0.05 -3.68 1.17 -0.51 0.04 0.00 0.00 177.00 174.07 1u1i s LEU 553 N -6.90 3.57 0.30 -3.56 1.02 -1.22 -4.88 118.68 107.01 1u1i s LEU 553 Ca 0.71 2.27 0.02 0.00 0.02 0.00 0.00 54.13 57.15 1u1i s LEU 553 Cb -0.09 -4.58 -0.03 0.00 0.02 0.00 0.00 46.19 41.50 1u1i s LEU 553 CO 0.56 -1.64 0.47 -2.16 0.02 0.00 0.00 176.35 173.59 1u1i s PRO 554 N -3.57 3.47 -1.03 1.29 0.04 -1.26 -5.03 135.00 128.91 1u1i s PRO 554 Ca 0.74 -0.48 -0.19 0.00 0.04 0.00 0.00 61.00 61.10 1u1i s PRO 554 Cb -0.27 -2.76 0.11 0.00 0.04 0.00 0.00 34.50 31.62 1u1i s PRO 554 CO 0.36 0.27 1.32 -0.80 0.04 0.00 0.00 177.00 178.18 1u1i s ASN 555 N -3.94 6.66 0.63 6.66 0.02 -1.26 -5.00 114.94 118.71 1u1i s ASN 555 Ca 0.38 -2.01 -0.17 0.00 -1.02 0.00 0.00 52.86 50.03 1u1i s ASN 555 Cb -0.09 -2.47 -0.01 0.00 0.02 0.00 0.00 41.25 38.69 1u1i s ASN 555 CO 0.33 -1.17 1.20 -0.47 0.02 0.00 0.00 177.10 177.00 1u1i s TYR 556 N 3.40 2.33 0.05 2.20 6.14 -1.26 -4.81 117.35 125.41 1u1i s TYR 556 Ca 0.40 1.54 0.02 0.00 0.64 0.00 0.00 57.07 59.67 1u1i s TYR 556 Cb -0.02 -3.45 -0.03 0.00 0.42 0.00 0.00 41.96 38.88 1u1i s TYR 556 CO -0.07 -2.26 -0.08 0.45 0.64 0.00 0.00 175.55 174.23 1u1i s SER 557 N -1.80 0.97 0.00 4.32 0.15 -1.26 -5.03 113.70 111.04 1u1i s SER 557 Ca 0.76 -0.63 0.27 0.00 0.70 0.00 0.00 55.95 57.05 1u1i s SER 557 Cb -0.29 0.04 0.92 0.00 -1.71 0.00 0.00 66.02 64.98 1u1i s SER 557 CO 0.37 -0.24 1.68 1.21 1.20 0.00 0.00 173.24 177.46 1u1i n GLU 558 N 1.19 0.35 -0.09 5.44 4.07 -1.26 -2.22 120.64 128.12 1u1i n GLU 558 Ca -0.21 -0.15 -0.09 0.00 -0.06 0.00 0.00 57.16 56.65 1u1i n GLU 558 Cb 0.56 -1.50 -0.16 0.00 -0.06 0.00 0.00 31.44 30.28 1u1i n GLU 558 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1u1i n GLU 559 N -1.20 0.77 -0.01 5.31 0.28 -1.26 -3.91 120.64 120.63 1u1i n GLU 559 Ca 0.10 -0.02 0.06 0.00 -0.16 0.00 0.00 57.16 57.14 1u1i n GLU 559 Cb 0.32 -1.51 -0.10 0.00 1.43 0.00 0.00 31.44 31.59 1u1i n GLU 559 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1u1i n TYR 560 N -2.72 0.00 0.14 -1.84 0.53 -1.25 -3.67 117.16 108.36 1u1i n TYR 560 Ca -0.31 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.58 1u1i n TYR 560 Cb 1.12 -0.29 -0.00 0.00 -1.03 0.00 0.00 39.34 39.15 1u1i n TYR 560 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 1u1i n HIS 561 N -1.93 0.00 -0.73 -0.72 8.25 -0.94 -3.41 115.22 115.74 1u1i n HIS 561 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 1u1i n HIS 561 Cb 0.33 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.77 1u1i n HIS 561 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u1i n GLY 562 N 0.63 3.06 3.64 -1.41 0.00 -1.20 -1.57 105.19 108.33 1u1i n GLY 562 Ca 0.01 -0.87 -0.03 0.00 0.00 0.00 0.00 46.02 45.13 1u1i n GLY 562 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u1i s SER 563 N -1.08 -0.09 0.32 1.61 1.04 -1.26 -4.59 113.70 109.66 1u1i s SER 563 Ca 0.48 0.14 0.16 0.00 0.48 0.00 0.00 55.95 57.22 1u1i s SER 563 Cb 0.34 0.13 0.45 0.00 0.10 0.00 0.00 66.02 67.04 1u1i s SER 563 CO 0.19 -0.05 1.63 0.25 0.98 0.00 0.00 173.24 176.24 1u1i h LEU 564 N 2.80 0.00 -0.02 2.42 5.85 -1.80 1.28 115.31 125.83 1u1i h LEU 564 Ca -0.20 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 1u1i h LEU 564 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1u1i h LEU 564 CO 0.20 0.47 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.52 1u1i h GLU 565 N 0.00 0.15 -0.17 1.25 4.81 -1.94 0.76 114.58 119.45 1u1i h GLU 565 Ca -0.00 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1u1i h GLU 565 Cb 1.09 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1u1i h GLU 565 CO 0.06 0.82 -0.08 0.78 -0.73 0.00 0.00 179.01 179.86 1u1i h GLY 566 N -0.47 0.27 0.35 1.92 0.00 -1.67 -0.85 103.07 102.62 1u1i h GLY 566 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1u1i h GLY 566 CO 0.03 0.14 -0.17 -2.75 0.00 0.00 0.00 176.54 173.80 1u1i h PHE 567 N 0.24 -0.44 -0.95 5.60 3.04 0.17 -3.18 116.94 121.42 1u1i h PHE 567 Ca 0.05 -0.01 0.28 0.00 3.98 0.00 0.00 57.97 62.27 1u1i h PHE 567 Cb 0.31 0.15 -0.15 0.00 2.56 0.00 0.00 35.95 38.82 1u1i h PHE 567 CO 0.00 -0.27 0.41 0.93 -2.02 0.00 0.00 178.31 177.36 1u1i h GLU 568 N -1.09 0.26 -0.29 1.11 5.08 0.65 0.90 114.58 121.20 1u1i h GLU 568 Ca -0.05 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1u1i h GLU 568 Cb 0.36 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1u1i h GLU 568 CO 0.08 0.18 0.09 0.07 -1.00 0.00 0.00 179.01 178.43 1u1i h ARG 569 N 0.27 0.41 0.00 2.33 0.11 -1.26 -1.72 114.38 114.52 1u1i h ARG 569 Ca 0.65 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.67 1u1i h ARG 569 Cb 1.39 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1u1i h ARG 569 CO -0.63 0.36 0.00 1.98 0.10 0.00 0.00 179.97 181.78 1u1i h MET 570 N 0.41 0.00 0.17 0.08 4.05 0.86 -2.65 114.93 117.85 1u1i h MET 570 Ca 0.10 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.21 1u1i h MET 570 Cb 0.12 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.93 1u1i h MET 570 CO -0.01 0.00 -1.54 0.82 0.23 0.00 0.00 176.91 176.42 1u1i h ILE 571 N 0.00 1.06 -0.59 1.77 2.04 -1.16 -2.38 117.51 118.25 1u1i h ILE 571 Ca 0.00 -2.50 -0.06 0.00 1.00 0.00 0.00 64.86 63.30 1u1i h ILE 571 Cb 0.37 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 1u1i h ILE 571 CO 0.00 0.79 0.07 0.47 0.00 0.00 0.00 178.15 179.48 1u1i n ASP 572 N -3.76 5.33 0.00 1.72 9.92 -1.20 -1.24 116.55 127.32 1u1i n ASP 572 Ca -0.23 -3.03 0.00 0.00 -0.53 0.00 0.00 54.79 51.00 1u1i n ASP 572 Cb 1.00 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 1u1i n ASP 572 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1u1i n GLU 573 N 0.30 1.15 -2.05 -1.24 2.13 -1.00 -5.01 120.64 114.91 1u1i n GLU 573 Ca 0.31 -0.93 -0.18 0.00 0.66 0.00 0.00 57.16 57.02 1u1i n GLU 573 Cb 1.22 -0.87 -0.04 0.00 0.27 0.00 0.00 31.44 32.02 1u1i n GLU 573 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1u1i n ASP 574 N -0.24 -4.92 -3.48 4.31 8.00 -1.23 -4.84 116.55 114.15 1u1i n ASP 574 Ca 0.00 0.21 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 1u1i n ASP 574 Cb 0.22 -4.24 -0.03 0.00 -0.02 0.00 0.00 41.12 37.05 1u1i n ASP 574 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1u1i n ARG 575 N -2.62 2.40 0.20 -1.24 5.12 -0.90 -4.60 116.66 115.03 1u1i n ARG 575 Ca -0.20 -2.00 0.17 0.00 -1.93 0.00 0.00 57.85 53.89 1u1i n ARG 575 Cb 0.63 -2.87 0.82 0.00 -1.16 0.00 0.00 32.46 29.88 1u1i n ARG 575 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1u1i h LYS 576 N 6.47 0.00 0.00 5.56 1.57 -1.88 -1.02 116.57 127.27 1u1i h LYS 576 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1u1i h LYS 576 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1u1i h LYS 576 CO 1.78 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 181.05 1u1i n GLU 577 N -3.83 0.03 0.00 3.15 4.71 -1.26 -3.02 120.64 120.42 1u1i n GLU 577 Ca 0.02 0.47 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1u1i n GLU 577 Cb 0.32 -1.60 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 1u1i n GLU 577 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1i n TYR 578 N -1.67 0.00 -1.84 -0.32 4.02 -0.40 -4.74 117.16 112.22 1u1i n TYR 578 Ca 0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.51 1u1i n TYR 578 Cb 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1u1i n TYR 578 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1u1i s ALA 579 N -1.97 2.18 0.64 -0.72 0.00 -1.15 -4.85 121.76 115.89 1u1i s ALA 579 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 1u1i s ALA 579 Cb 0.00 -4.24 -0.03 0.00 0.00 0.00 0.00 23.12 18.85 1u1i s ALA 579 CO 0.00 -3.74 1.05 0.45 0.00 0.00 0.00 175.76 173.52 1u1i s SER 580 N 9.05 6.02 0.32 0.00 0.15 -1.26 -4.56 113.70 123.42 1u1i s SER 580 Ca 0.82 1.34 0.13 0.00 0.70 0.00 0.00 55.95 58.95 1u1i s SER 580 Cb -0.18 -2.32 0.50 0.00 -1.71 0.00 0.00 66.02 62.31 1u1i s SER 580 CO 0.26 -0.99 1.68 0.00 1.20 0.00 0.00 173.24 175.39 1u1i h ALA 581 N -0.40 1.03 -0.04 5.45 0.00 -1.56 -2.83 119.26 120.91 1u1i h ALA 581 Ca -0.44 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 53.97 1u1i h ALA 581 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1u1i h ALA 581 CO 0.62 0.64 -0.11 0.66 0.00 0.00 0.00 179.25 181.07 1u1i h SER 582 N 0.00 0.16 -0.28 0.00 4.64 -1.89 -3.08 113.55 113.10 1u1i h SER 582 Ca -0.01 -0.61 0.07 0.00 -0.47 0.00 0.00 61.79 60.77 1u1i h SER 582 Cb 0.98 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1u1i h SER 582 CO 0.07 0.74 0.20 0.24 -0.87 0.00 0.00 176.83 177.21 1u1i h MET 583 N -0.42 0.03 0.00 4.77 2.07 -1.75 -0.21 114.93 119.42 1u1i h MET 583 Ca -0.00 -0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.57 1u1i h MET 583 Cb 0.73 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.44 1u1i h MET 583 CO 0.02 0.02 -0.25 -0.07 1.07 0.00 0.00 176.91 177.71 1u1i h LEU 584 N 0.03 0.00 0.00 1.22 3.38 -1.41 -1.82 115.31 116.71 1u1i h LEU 584 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1u1i h LEU 584 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1u1i h LEU 584 CO -0.01 0.25 -0.29 1.88 0.09 0.00 0.00 178.44 180.36 1u1i h TYR 585 N 0.00 0.00 -0.73 1.13 0.99 -1.07 -3.04 116.97 114.25 1u1i h TYR 585 Ca -0.00 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.82 1u1i h TYR 585 Cb 0.90 0.00 -0.07 0.00 1.00 0.00 0.00 36.73 38.56 1u1i h TYR 585 CO 0.00 0.52 0.37 0.00 -0.00 0.00 0.00 178.16 179.06 1u1i h ALA 586 N -0.63 1.02 -0.84 3.88 0.00 -1.27 0.36 119.26 121.78 1u1i h ALA 586 Ca -0.05 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1u1i h ALA 586 Cb 0.59 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1u1i h ALA 586 CO -0.03 -0.03 0.55 -0.92 0.00 0.00 0.00 179.25 178.82 1u1i h TYR 587 N 0.63 0.99 -0.12 0.00 3.20 -1.50 0.09 116.97 120.26 1u1i h TYR 587 Ca 0.36 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 62.06 1u1i h TYR 587 Cb 0.38 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1u1i h TYR 587 CO -0.10 0.57 -0.72 0.00 -1.64 0.00 0.00 178.16 176.27 1u1i h ALA 588 N 1.52 0.51 0.62 1.82 0.00 -0.83 -1.50 119.26 121.40 1u1i h ALA 588 Ca 0.34 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1u1i h ALA 588 Cb 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u1i h ALA 588 CO -0.11 0.73 -0.30 0.00 0.00 0.00 0.00 179.25 179.57 1u1i h ALA 589 N 0.81 -0.95 -0.92 0.00 0.00 0.08 -3.28 119.26 115.00 1u1i h ALA 589 Ca -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1u1i h ALA 589 Cb 1.31 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 1u1i h ALA 589 CO 0.13 -0.89 0.60 -0.07 0.00 0.00 0.00 179.25 179.02 1u1i h LEU 590 N -1.06 1.01 0.00 0.00 3.38 -0.98 -0.69 115.31 116.97 1u1i h LEU 590 Ca -0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1u1i h LEU 590 Cb 0.64 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1u1i h LEU 590 CO 0.14 0.71 0.00 1.17 0.09 0.00 0.00 178.44 180.55 1u1i n LYS 591 N -4.49 0.58 -0.53 1.13 4.81 -0.57 -2.04 118.16 117.05 1u1i n LYS 591 Ca 0.11 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.59 1u1i n LYS 591 Cb 0.06 -1.42 0.22 0.00 0.02 0.00 0.00 35.03 33.91 1u1i n LYS 591 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1u1i n LEU 592 N -0.92 3.72 -3.77 3.14 4.77 -0.29 -4.94 117.00 118.71 1u1i n LEU 592 Ca 0.12 -3.35 -0.25 0.00 -0.03 0.00 0.00 56.01 52.50 1u1i n LEU 592 Cb 0.05 -0.56 0.03 0.00 -2.33 0.00 0.00 43.42 40.62 1u1i n LEU 592 CO 0.09 0.93 0.03 0.61 -1.33 0.00 0.00 177.39 177.71 1u1i n GLY 593 N -0.90 -0.39 3.10 -0.72 0.00 -0.87 -4.98 105.19 100.42 1u1i n GLY 593 Ca 0.25 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 1u1i n GLY 593 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1i s LEU 594 N -6.96 1.95 0.46 0.99 1.43 -1.07 -5.02 118.68 110.46 1u1i s LEU 594 Ca 0.31 -0.27 -0.22 0.00 -1.03 0.00 0.00 54.13 52.93 1u1i s LEU 594 Cb -0.15 -0.75 -0.08 0.00 0.03 0.00 0.00 46.19 45.23 1u1i s LEU 594 CO 0.81 0.15 1.05 -2.84 0.23 0.00 0.00 176.35 175.75 1u1i s PRO 595 N -0.15 3.89 0.07 1.29 0.02 -1.26 -3.29 135.00 135.58 1u1i s PRO 595 Ca 0.02 1.44 0.04 0.00 0.02 0.00 0.00 61.00 62.52 1u1i s PRO 595 Cb -0.07 -2.25 -0.03 0.00 0.02 0.00 0.00 34.50 32.17 1u1i s PRO 595 CO 0.00 -0.36 -0.11 -0.47 -0.33 0.00 0.00 177.00 175.73 1u1i s TYR 596 N -1.85 1.02 -0.06 6.54 5.04 -1.23 0.23 117.35 127.04 1u1i s TYR 596 Ca 0.64 -0.53 -0.05 0.00 -2.44 0.00 0.00 57.07 54.70 1u1i s TYR 596 Cb -0.19 -0.58 0.02 0.00 0.35 0.00 0.00 41.96 41.57 1u1i s TYR 596 CO 0.23 0.00 0.16 0.00 -1.34 0.00 0.00 175.55 174.61 1u1i s ALA 597 N -1.63 -0.37 -0.33 3.97 0.00 0.44 -2.38 121.76 121.46 1u1i s ALA 597 Ca -0.02 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1u1i s ALA 597 Cb -0.08 -0.34 0.08 0.00 0.00 0.00 0.00 23.12 22.78 1u1i s ALA 597 CO 0.01 -0.11 0.03 1.21 0.00 0.00 0.00 175.76 176.91 1u1i s ASN 598 N 0.46 4.83 0.00 0.00 2.47 -1.00 0.16 114.94 121.86 1u1i s ASN 598 Ca -0.03 -1.73 0.28 0.00 0.42 0.00 0.00 52.86 51.80 1u1i s ASN 598 Cb -0.05 -1.67 1.10 0.00 -1.45 0.00 0.00 41.25 39.18 1u1i s ASN 598 CO -0.02 -0.34 1.77 0.33 -3.72 0.00 0.00 177.10 175.12 1u1i n PHE 599 N 4.46 0.00 -3.83 0.43 -0.00 -0.61 0.70 117.46 118.61 1u1i n PHE 599 Ca -0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.17 1u1i n PHE 599 Cb 0.42 -0.04 -0.04 0.00 -0.00 0.00 0.00 39.48 39.82 1u1i n PHE 599 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 1u1i s THR 600 N -2.14 3.17 -1.99 -2.13 -1.32 -1.26 -2.30 115.64 107.68 1u1i s THR 600 Ca 0.36 -1.45 0.26 0.00 -1.21 0.00 0.00 61.69 59.65 1u1i s THR 600 Cb 0.21 -3.09 0.74 0.00 -1.51 0.00 0.00 72.50 68.85 1u1i s THR 600 CO 0.39 -0.13 1.92 -2.65 -2.21 0.00 0.00 174.62 171.94 1u1i n PRO 601 N -1.36 0.81 -2.35 7.08 -0.02 -1.26 -0.75 135.00 137.14 1u1i n PRO 601 Ca -0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1u1i n PRO 601 Cb 0.61 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 1u1i n PRO 601 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1u1i s SER 602 N -2.01 6.09 0.00 2.55 0.15 -1.26 -4.82 113.70 114.40 1u1i s SER 602 Ca 0.39 2.14 0.00 0.00 0.70 0.00 0.00 55.95 59.18 1u1i s SER 602 Cb 0.18 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1u1i s SER 602 CO 0.30 -0.96 0.72 -0.81 1.20 0.00 0.00 173.24 173.69 1u1i n PRO 603 N -0.87 0.00 0.00 5.44 -0.04 -1.26 -4.88 135.00 133.39 1u1i n PRO 603 Ca 0.09 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1u1i n PRO 603 Cb 0.50 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 1u1i n PRO 603 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u1i n GLY 604 N -0.95 1.45 0.33 0.55 0.00 -1.26 -3.08 105.19 102.23 1u1i n GLY 604 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1u1i n GLY 604 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u1i n SER 605 N 1.94 0.55 -1.27 1.61 3.41 -1.26 -4.17 113.62 114.43 1u1i n SER 605 Ca 0.00 -1.68 0.02 0.00 -0.26 0.00 0.00 58.87 56.95 1u1i n SER 605 Cb 0.00 -0.27 0.20 0.00 -0.26 0.00 0.00 64.21 63.88 1u1i n SER 605 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1i n ALA 606 N -0.12 3.31 -2.60 7.33 0.00 -1.18 -3.73 120.51 123.53 1u1i n ALA 606 Ca 0.00 -1.05 -0.33 0.00 0.00 0.00 0.00 53.44 52.06 1u1i n ALA 606 Cb 0.14 -1.08 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 1u1i n ALA 606 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1u1i s ILE 607 N -1.90 3.70 0.52 0.00 -4.36 -1.26 -4.95 121.20 112.95 1u1i s ILE 607 Ca 0.29 -0.66 0.37 0.00 -0.26 0.00 0.00 60.65 60.38 1u1i s ILE 607 Cb 0.22 -2.58 0.57 0.00 1.25 0.00 0.00 42.46 41.92 1u1i s ILE 607 CO 0.08 0.46 1.74 -0.65 0.24 0.00 0.00 174.94 176.81 1u1i h PRO 608 N 4.76 0.05 -0.73 0.37 0.11 -1.86 0.46 132.00 135.15 1u1i h PRO 608 Ca -0.49 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1u1i h PRO 608 Cb 1.17 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1u1i h PRO 608 CO 0.53 0.04 0.48 0.00 -0.21 0.00 0.00 178.00 178.84 1u1i h ALA 609 N 1.37 1.55 0.00 -0.75 0.00 -1.53 -2.99 119.26 116.92 1u1i h ALA 609 Ca 0.67 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.38 1u1i h ALA 609 Cb 2.51 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 20.01 1u1i h ALA 609 CO -0.08 0.38 -1.94 1.28 0.00 0.00 0.00 179.25 178.89 1u1i n LEU 610 N -4.45 0.00 -0.03 0.00 4.32 0.14 -3.14 117.00 113.85 1u1i n LEU 610 Ca 0.09 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.20 1u1i n LEU 610 Cb 0.10 0.22 0.53 0.00 -1.62 0.00 0.00 43.42 42.65 1u1i n LEU 610 CO 0.35 0.22 1.17 0.11 -1.22 0.00 0.00 177.39 178.02 1u1i h LYS 611 N 0.00 0.31 0.00 3.23 1.57 -0.95 0.14 116.57 120.87 1u1i h LYS 611 Ca -0.24 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 1u1i h LYS 611 Cb 1.45 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 1u1i h LYS 611 CO 0.01 0.21 -0.90 1.49 -0.57 0.00 0.00 179.45 179.69 1u1i h GLU 612 N 0.32 0.00 -0.38 3.15 4.81 -1.69 -3.31 114.58 117.48 1u1i h GLU 612 Ca 0.23 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1u1i h GLU 612 Cb 0.49 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1u1i h GLU 612 CO -0.05 0.25 0.02 1.25 -0.73 0.00 0.00 179.01 179.75 1u1i h LEU 613 N 0.00 0.55 0.00 1.64 5.85 -1.00 -2.87 115.31 119.48 1u1i h LEU 613 Ca -0.06 -0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.40 1u1i h LEU 613 Cb 1.33 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1u1i h LEU 613 CO 0.04 0.61 -0.83 0.00 -0.34 0.00 0.00 178.44 177.91 1u1i h ALA 614 N 1.47 0.56 -0.31 1.25 0.00 -1.55 -1.42 119.26 119.27 1u1i h ALA 614 Ca 0.12 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1u1i h ALA 614 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1u1i h ALA 614 CO 0.01 0.92 0.08 0.93 0.00 0.00 0.00 179.25 181.19 1u1i h GLU 615 N 0.00 0.49 0.00 0.00 4.39 -1.60 0.21 114.58 118.07 1u1i h GLU 615 Ca -0.04 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.42 1u1i h GLU 615 Cb 1.57 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.14 1u1i h GLU 615 CO 0.09 0.56 -0.75 -0.22 -1.16 0.00 0.00 179.01 177.53 1u1i h LYS 616 N 0.33 0.00 -0.00 2.33 3.64 -1.60 -3.08 116.57 118.19 1u1i h LYS 616 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1u1i h LYS 616 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1u1i h LYS 616 CO 0.00 0.50 -0.12 1.63 -2.27 0.00 0.00 179.45 179.19 1u1i n LYS 617 N -3.16 0.30 -3.50 1.90 4.76 -0.53 -4.94 118.16 112.98 1u1i n LYS 617 Ca -0.01 -0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.11 1u1i n LYS 617 Cb 0.78 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.53 1u1i n LYS 617 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u1i n GLY 618 N 1.39 -0.54 3.19 0.72 0.00 0.62 -4.69 105.19 105.88 1u1i n GLY 618 Ca 0.10 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 1u1i n GLY 618 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1i s VAL 619 N -3.28 1.77 0.50 1.61 1.01 -0.45 -4.72 120.40 116.84 1u1i s VAL 619 Ca 0.53 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1u1i s VAL 619 Cb -0.24 -1.52 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 1u1i s VAL 619 CO 0.65 0.50 0.92 -2.16 0.00 0.00 0.00 175.10 175.01 1u1i s PRO 620 N 0.13 3.82 0.21 2.72 0.04 -1.17 -2.52 135.00 138.23 1u1i s PRO 620 Ca -0.09 0.74 -0.19 0.00 0.04 0.00 0.00 61.00 61.50 1u1i s PRO 620 Cb -0.15 -2.21 0.03 0.00 0.04 0.00 0.00 34.50 32.21 1u1i s PRO 620 CO 0.05 -0.25 0.57 -3.38 0.04 0.00 0.00 177.00 174.03 1u1i s HIS 621 N -2.65 -0.18 -0.18 0.56 -3.43 -1.06 -3.56 115.29 104.79 1u1i s HIS 621 Ca 0.55 -0.17 -0.35 0.00 -0.80 0.00 0.00 55.06 54.30 1u1i s HIS 621 Cb -0.10 0.47 0.14 0.00 -1.43 0.00 0.00 32.58 31.66 1u1i s HIS 621 CO 0.36 -0.97 1.25 0.00 -2.00 0.00 0.00 174.74 173.37 1u1i s ALA 622 N -3.87 -2.12 0.00 -1.38 0.00 -1.00 -1.60 121.76 111.78 1u1i s ALA 622 Ca 0.09 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1u1i s ALA 622 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1u1i s ALA 622 CO -0.02 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.48 1u1i n GLY 623 N -0.15 0.41 1.29 0.00 0.00 -1.26 -2.38 105.19 103.10 1u1i n GLY 623 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1u1i n GLY 623 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u1i n ASN 624 N 0.00 -1.72 -1.75 1.61 3.02 0.22 -3.20 115.26 113.44 1u1i n ASN 624 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 1u1i n ASN 624 Cb 0.00 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 1u1i n ASN 624 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1u1i n ASP 625 N -0.06 -3.21 -4.68 6.41 -0.08 0.07 -2.34 116.55 112.66 1u1i n ASP 625 Ca 0.00 0.22 -0.42 0.00 -1.51 0.00 0.00 54.79 53.08 1u1i n ASP 625 Cb 0.00 -1.88 -0.03 0.00 2.34 0.00 0.00 41.12 41.55 1u1i n ASP 625 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1u1i s GLY 626 N -0.69 1.41 -0.80 0.27 0.00 -0.97 -0.18 107.32 106.35 1u1i s GLY 626 Ca 0.02 1.35 -0.26 0.00 0.00 0.00 0.00 44.72 45.84 1u1i s GLY 626 CO 0.16 3.27 1.43 1.25 0.00 0.00 0.00 173.10 179.21 1u1i s LYS 627 N 3.57 3.19 0.00 2.90 2.20 0.22 -4.70 119.74 127.12 1u1i s LYS 627 Ca 0.84 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1u1i s LYS 627 Cb -0.44 -4.55 0.00 0.00 -1.51 0.00 0.00 37.83 31.34 1u1i s LYS 627 CO 0.38 -2.30 0.00 0.25 -0.36 0.00 0.00 175.35 173.32 1u1i n THR 628 N 6.68 0.00 0.00 3.43 -2.24 -1.26 -4.61 114.28 116.28 1u1i n THR 628 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1u1i n THR 628 Cb 0.50 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1u1i n THR 628 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1i n GLY 629 N 4.38 -1.57 0.31 3.38 0.00 -1.26 -2.99 105.19 107.45 1u1i n GLY 629 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1u1i n GLY 629 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1u1i h GLU 630 N 0.00 -0.17 -0.38 1.61 4.81 -1.98 -1.71 114.58 116.77 1u1i h GLU 630 Ca 0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.35 1u1i h GLU 630 Cb 0.00 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1u1i h GLU 630 CO 0.00 -0.11 0.43 1.15 -0.73 0.00 0.00 179.01 179.75 1u1i h THR 631 N -0.18 0.35 -0.27 0.32 2.02 -1.96 0.61 112.91 113.81 1u1i h THR 631 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1u1i h THR 631 Cb 0.37 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1u1i h THR 631 CO -0.52 0.00 0.13 0.25 0.37 0.00 0.00 175.52 175.76 1u1i h LEU 632 N 0.00 0.34 -1.20 2.58 5.85 -1.20 -2.27 115.31 119.41 1u1i h LEU 632 Ca 0.18 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.88 1u1i h LEU 632 Cb 1.04 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1u1i h LEU 632 CO -0.00 0.36 0.57 0.58 -0.34 0.00 0.00 178.44 179.61 1u1i h VAL 633 N 0.31 0.97 0.50 1.05 2.07 0.16 -2.46 116.25 118.85 1u1i h VAL 633 Ca 0.09 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1u1i h VAL 633 Cb 0.10 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1u1i h VAL 633 CO -0.01 0.16 -0.24 0.50 0.02 0.00 0.00 177.57 178.00 1u1i h LYS 634 N 0.88 -0.65 0.00 1.57 3.64 -0.88 -0.06 116.57 121.08 1u1i h LYS 634 Ca 0.41 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1u1i h LYS 634 Cb 0.40 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1u1i h LYS 634 CO -0.17 -0.35 0.00 0.25 -2.27 0.00 0.00 179.45 176.91 1u1i n THR 635 N -5.29 0.00 -0.01 1.00 -2.24 -0.90 -1.66 114.28 105.17 1u1i n THR 635 Ca -0.11 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.70 1u1i n THR 635 Cb 0.31 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.02 1u1i n THR 635 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1u1i n THR 636 N -0.77 0.14 -0.06 4.28 -1.04 -0.94 -0.69 114.28 115.20 1u1i n THR 636 Ca 0.09 -0.28 -0.07 0.00 -2.04 0.00 0.00 64.05 61.74 1u1i n THR 636 Cb 0.04 0.05 -0.07 0.00 -1.82 0.00 0.00 70.33 68.53 1u1i n THR 636 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1u1i n LEU 637 N -1.98 1.37 -0.22 -4.42 7.94 -0.06 -4.61 117.00 115.03 1u1i n LEU 637 Ca -0.05 -0.03 0.01 0.00 -1.11 0.00 0.00 56.01 54.83 1u1i n LEU 637 Cb 0.39 -0.08 0.09 0.00 0.53 0.00 0.00 43.42 44.36 1u1i n LEU 637 CO 0.22 0.47 0.77 0.00 -1.11 0.00 0.00 177.39 177.75 1u1i h ALA 638 N 0.28 0.53 -0.28 1.96 0.00 -1.52 0.50 119.26 120.72 1u1i h ALA 638 Ca -0.29 0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1u1i h ALA 638 Cb 1.56 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1u1i h ALA 638 CO -0.01 -0.42 0.45 -1.35 0.00 0.00 0.00 179.25 177.91 1u1i h PRO 639 N 0.04 0.00 -0.12 0.00 0.11 -1.81 -3.03 132.00 127.19 1u1i h PRO 639 Ca 0.33 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.45 1u1i h PRO 639 Cb 0.53 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1u1i h PRO 639 CO -0.64 0.00 0.05 1.98 -0.21 0.00 0.00 178.00 179.18 1u1i h MET 640 N 0.00 0.12 0.00 1.05 1.85 -1.16 -0.19 114.93 116.60 1u1i h MET 640 Ca 0.13 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1u1i h MET 640 Cb 1.02 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.03 1u1i h MET 640 CO -0.00 0.08 0.00 1.19 -0.40 0.00 0.00 176.91 177.78 1u1i n PHE 641 N -5.04 0.00 0.14 1.39 3.72 -1.14 -3.34 117.46 113.19 1u1i n PHE 641 Ca -0.05 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.29 1u1i n PHE 641 Cb 0.04 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 1u1i n PHE 641 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u1i h ALA 642 N 3.43 -0.50 -1.03 4.37 0.00 -1.13 0.72 119.26 125.13 1u1i h ALA 642 Ca 0.00 -0.09 0.35 0.00 0.00 0.00 0.00 54.91 55.17 1u1i h ALA 642 Cb 0.21 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.01 1u1i h ALA 642 CO 0.00 -0.47 0.59 1.88 0.00 0.00 0.00 179.25 181.25 1u1i h TYR 643 N -0.92 0.88 -0.30 0.00 0.99 -1.51 0.68 116.97 116.78 1u1i h TYR 643 Ca -0.04 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1u1i h TYR 643 Cb 0.33 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 37.83 1u1i h TYR 643 CO 0.02 -0.24 0.00 0.54 -0.00 0.00 0.00 178.16 178.48 1u1i n ARG 644 N -5.06 2.76 -3.02 4.88 5.12 -1.21 -4.90 116.66 115.23 1u1i n ARG 644 Ca 0.33 -1.52 -0.17 0.00 -1.93 0.00 0.00 57.85 54.56 1u1i n ARG 644 Cb 1.08 -1.78 -0.01 0.00 -1.16 0.00 0.00 32.46 30.59 1u1i n ARG 644 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1u1i n ASN 645 N 0.36 -3.20 -4.90 0.55 5.15 0.24 -4.96 115.26 108.49 1u1i n ASN 645 Ca 0.14 -0.12 -0.28 0.00 -0.60 0.00 0.00 54.58 53.72 1u1i n ASN 645 Cb 0.65 -2.71 -0.02 0.00 -0.53 0.00 0.00 39.78 37.18 1u1i n ASN 645 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1u1i s MET 646 N -5.63 3.61 -0.16 1.20 -1.94 0.25 -5.01 119.30 111.63 1u1i s MET 646 Ca 0.24 0.15 -0.07 0.00 -1.71 0.00 0.00 55.69 54.30 1u1i s MET 646 Cb -0.13 -2.47 -0.04 0.00 2.01 0.00 0.00 34.83 34.20 1u1i s MET 646 CO 0.30 -0.03 0.09 -2.00 -0.01 0.00 0.00 175.02 173.36 1u1i s GLU 647 N -4.23 3.77 -0.36 2.03 2.12 -0.34 -4.55 118.70 117.14 1u1i s GLU 647 Ca 0.47 -0.27 -0.24 0.00 0.36 0.00 0.00 54.97 55.29 1u1i s GLU 647 Cb -0.10 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.09 1u1i s GLU 647 CO 0.37 0.46 0.80 0.08 -0.54 0.00 0.00 175.26 176.44 1u1i s VAL 648 N -0.14 4.72 -0.17 3.70 1.01 -1.26 -0.68 120.40 127.58 1u1i s VAL 648 Ca 0.08 0.96 -0.20 0.00 0.00 0.00 0.00 61.98 62.82 1u1i s VAL 648 Cb -0.12 -4.22 -0.17 0.00 0.00 0.00 0.00 36.38 31.87 1u1i s VAL 648 CO 0.01 -0.42 0.30 0.58 0.00 0.00 0.00 175.10 175.57 1u1i h VAL 649 N 5.74 0.97 -2.77 2.92 2.07 -1.19 -3.40 116.25 120.60 1u1i h VAL 649 Ca -0.24 -1.98 -0.11 0.00 0.82 0.00 0.00 66.70 65.19 1u1i h VAL 649 Cb 1.09 2.09 -0.21 0.00 -1.52 0.00 0.00 31.29 32.75 1u1i h VAL 649 CO 0.92 0.33 -0.17 -0.83 0.02 0.00 0.00 177.57 177.83 1u1i s GLY 650 N -4.50 -0.27 -0.02 2.17 0.00 -0.98 -0.76 107.32 102.96 1u1i s GLY 650 Ca -0.22 0.70 0.05 0.00 0.00 0.00 0.00 44.72 45.26 1u1i s GLY 650 CO 0.53 0.48 -0.18 0.86 0.00 0.00 0.00 173.10 174.78 1u1i s TRP 651 N -0.96 1.63 -0.13 1.90 -0.11 -0.86 -0.71 118.94 119.69 1u1i s TRP 651 Ca -0.10 -0.33 0.02 0.00 1.22 0.00 0.00 56.10 56.91 1u1i s TRP 651 Cb -0.04 -1.05 0.00 0.00 -1.50 0.00 0.00 33.47 30.88 1u1i s TRP 651 CO 0.05 -0.05 -0.20 1.41 -4.62 0.00 0.00 176.95 173.54 1u1i s MET 652 N -0.36 3.11 -0.42 5.86 -2.45 0.21 -2.50 119.30 122.75 1u1i s MET 652 Ca 0.05 -0.82 0.01 0.00 -1.25 0.00 0.00 55.69 53.69 1u1i s MET 652 Cb -0.08 -2.47 0.11 0.00 1.25 0.00 0.00 34.83 33.65 1u1i s MET 652 CO -0.00 0.05 0.17 -1.12 1.05 0.00 0.00 175.02 175.17 1u1i s SER 653 N 0.68 4.91 -0.26 1.11 0.01 0.26 -1.51 113.70 118.90 1u1i s SER 653 Ca -0.09 -2.32 0.01 0.00 1.31 0.00 0.00 55.95 54.86 1u1i s SER 653 Cb -0.16 -1.72 0.05 0.00 0.21 0.00 0.00 66.02 64.40 1u1i s SER 653 CO 0.02 -0.41 -0.10 -0.47 0.41 0.00 0.00 173.24 172.69 1u1i s TYR 654 N 0.70 3.18 -0.12 2.43 5.04 0.08 -1.34 117.35 127.32 1u1i s TYR 654 Ca 0.12 -2.08 -0.02 0.00 -2.44 0.00 0.00 57.07 52.65 1u1i s TYR 654 Cb -0.21 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.10 1u1i s TYR 654 CO -0.05 -0.84 -0.06 -0.80 -1.34 0.00 0.00 175.55 172.46 1u1i s ASN 655 N 1.18 4.64 -0.04 4.32 0.01 -0.76 0.10 114.94 124.39 1u1i s ASN 655 Ca -0.06 -0.12 0.05 0.00 -0.71 0.00 0.00 52.86 52.03 1u1i s ASN 655 Cb -0.19 -1.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.93 1u1i s ASN 655 CO -0.05 0.24 -0.18 0.27 -1.51 0.00 0.00 177.10 175.86 1u1i s ILE 656 N -0.08 1.51 0.00 0.60 -4.36 0.11 0.35 121.20 119.33 1u1i s ILE 656 Ca 0.01 -0.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.62 1u1i s ILE 656 Cb -0.13 -1.28 0.00 0.00 1.25 0.00 0.00 42.46 42.29 1u1i s ILE 656 CO 0.03 0.43 0.00 0.00 0.24 0.00 0.00 174.94 175.64 1u1i n LEU 657 N 2.96 0.00 0.00 0.37 -0.00 -0.46 -1.35 117.00 118.52 1u1i n LEU 657 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1u1i n LEU 657 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1u1i n LEU 657 CO 0.25 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.25 1u1i n GLY 658 N 0.00 -1.80 0.00 1.47 0.00 -0.77 0.96 105.19 105.05 1u1i n GLY 658 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1u1i n GLY 658 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u1i n ASP 659 N 0.00 0.00 0.24 1.61 4.64 -1.25 -3.93 116.55 117.85 1u1i n ASP 659 Ca 0.00 0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.53 1u1i n ASP 659 Cb 0.00 0.00 0.54 0.00 -1.04 0.00 0.00 41.12 40.62 1u1i n ASP 659 CO 0.00 0.00 0.00 1.88 -0.82 0.00 0.00 177.20 178.26 1u1i h TYR 660 N 0.00 0.00 0.06 -0.67 -1.99 -1.97 0.67 116.97 113.07 1u1i h TYR 660 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1u1i h TYR 660 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1u1i h TYR 660 CO 0.00 0.15 -0.03 0.22 -0.00 0.00 0.00 178.16 178.50 1u1i h ASP 661 N 0.00 -0.07 -0.17 3.88 -0.00 -1.98 -2.73 116.42 115.35 1u1i h ASP 661 Ca -0.00 -0.55 -0.07 0.00 -0.00 0.00 0.00 57.03 56.41 1u1i h ASP 661 Cb 0.66 0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.99 1u1i h ASP 661 CO 0.02 0.57 -0.09 1.23 -0.00 0.00 0.00 179.24 180.97 1u1i h GLY 662 N -0.77 0.55 0.90 -0.78 0.00 -1.84 -2.12 103.07 99.00 1u1i h GLY 662 Ca -0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1u1i h GLY 662 CO 0.01 0.34 0.06 0.50 0.00 0.00 0.00 176.54 177.45 1u1i h LYS 663 N 0.48 0.54 -0.43 4.80 1.57 0.27 -3.20 116.57 120.61 1u1i h LYS 663 Ca 0.09 -0.14 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1u1i h LYS 663 Cb 0.45 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1u1i h LYS 663 CO 0.02 0.62 -0.32 0.28 -0.57 0.00 0.00 179.45 179.49 1u1i h VAL 664 N 0.38 1.27 0.00 0.50 2.07 -1.40 -3.20 116.25 115.86 1u1i h VAL 664 Ca 0.10 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1u1i h VAL 664 Cb 0.34 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1u1i h VAL 664 CO 0.01 0.51 0.00 0.18 0.02 0.00 0.00 177.57 178.28 1u1i n LEU 665 N -4.08 0.00 -0.08 2.57 4.77 -0.81 -4.03 117.00 115.34 1u1i n LEU 665 Ca -0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 1u1i n LEU 665 Cb 0.51 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1u1i n LEU 665 CO 0.48 0.00 0.50 -1.28 -1.33 0.00 0.00 177.39 175.76 1u1i h SER 666 N 0.00 -0.87 -2.71 -1.43 0.87 -1.61 -3.41 113.55 104.38 1u1i h SER 666 Ca 0.00 0.12 -0.32 0.00 -1.23 0.00 0.00 61.79 60.36 1u1i h SER 666 Cb 0.00 0.36 0.19 0.00 -0.44 0.00 0.00 62.40 62.51 1u1i h SER 666 CO 0.00 -0.17 -0.15 0.00 -0.53 0.00 0.00 176.83 175.98 1u1i n ALA 667 N -2.91 -4.58 -0.00 6.23 0.00 -1.26 -4.98 120.51 113.02 1u1i n ALA 667 Ca -0.01 -1.36 0.04 0.00 0.00 0.00 0.00 53.44 52.11 1u1i n ALA 667 Cb 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 1u1i n ALA 667 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1u1i n ARG 668 N -5.34 0.33 -0.05 0.00 0.63 -1.26 -3.76 116.66 107.21 1u1i n ARG 668 Ca 0.12 -0.07 -0.06 0.00 -0.92 0.00 0.00 57.85 56.92 1u1i n ARG 668 Cb 0.53 -1.20 0.14 0.00 0.45 0.00 0.00 32.46 32.38 1u1i n ARG 668 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1u1i h ASP 669 N 0.00 0.67 -0.25 6.15 3.32 -1.94 1.48 116.42 125.84 1u1i h ASP 669 Ca -0.01 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1u1i h ASP 669 Cb 0.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1u1i h ASP 669 CO 0.00 0.87 0.10 0.78 -1.72 0.00 0.00 179.24 179.27 1u1i h ASN 670 N 0.59 0.35 0.62 6.45 4.21 -1.85 -3.22 115.58 122.72 1u1i h ASN 670 Ca 0.09 -0.18 -0.06 0.00 1.21 0.00 0.00 56.30 57.36 1u1i h ASN 670 Cb 0.68 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 1u1i h ASN 670 CO 0.05 0.43 -0.29 0.50 -1.29 0.00 0.00 177.43 176.84 1u1i h LYS 671 N 0.25 0.00 -0.28 0.81 3.64 -1.45 -3.14 116.57 116.40 1u1i h LYS 671 Ca 0.08 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1u1i h LYS 671 Cb 0.19 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1u1i h LYS 671 CO -0.01 0.29 -0.39 1.49 -2.27 0.00 0.00 179.45 178.56 1u1i h GLU 672 N 0.00 -0.36 -0.47 1.90 4.81 0.20 -1.81 114.58 118.85 1u1i h GLU 672 Ca -0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1u1i h GLU 672 Cb 0.68 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 1u1i h GLU 672 CO 0.04 -0.24 0.18 0.77 -0.73 0.00 0.00 179.01 179.02 1u1i h SER 673 N -0.37 0.19 0.01 1.04 0.02 -1.68 -2.54 113.55 110.22 1u1i h SER 673 Ca 0.12 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1u1i h SER 673 Cb 0.58 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1u1i h SER 673 CO -0.48 0.14 -0.00 0.50 -1.14 0.00 0.00 176.83 175.84 1u1i h LYS 674 N 0.36 -0.01 -0.11 3.45 3.64 -1.67 -3.33 116.57 118.90 1u1i h LYS 674 Ca 0.22 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1u1i h LYS 674 Cb 0.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1u1i h LYS 674 CO -0.22 0.37 0.12 0.28 -2.27 0.00 0.00 179.45 177.74 1u1i h VAL 675 N -1.00 0.48 0.24 2.00 2.07 -1.42 -2.09 116.25 116.53 1u1i h VAL 675 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1u1i h VAL 675 Cb 0.39 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1u1i h VAL 675 CO 0.00 0.00 -0.11 -0.07 0.02 0.00 0.00 177.57 177.41 1u1i h LEU 676 N 0.00 -0.27 -2.21 2.57 3.38 -1.56 -1.14 115.31 116.08 1u1i h LEU 676 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1u1i h LEU 676 Cb 0.29 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1u1i h LEU 676 CO -0.00 -0.18 -0.03 0.28 0.09 0.00 0.00 178.44 178.60 1u1i h SER 677 N -0.33 0.00 -0.33 -0.43 0.02 -1.51 -0.47 113.55 110.50 1u1i h SER 677 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1u1i h SER 677 Cb 0.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1u1i h SER 677 CO 0.05 0.03 0.01 0.29 -1.14 0.00 0.00 176.83 176.07 1u1i n LYS 678 N -3.23 3.16 0.00 3.45 5.02 -0.52 -4.33 118.16 121.71 1u1i n LYS 678 Ca -0.01 -1.77 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1u1i n LYS 678 Cb 0.19 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 1u1i n LYS 678 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1u1i n ASP 679 N 0.33 0.00 0.30 4.39 4.64 -0.29 -4.72 116.55 121.21 1u1i n ASP 679 Ca 0.16 0.00 0.19 0.00 -1.38 0.00 0.00 54.79 53.76 1u1i n ASP 679 Cb 0.79 0.08 1.01 0.00 -1.04 0.00 0.00 41.12 41.96 1u1i n ASP 679 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 1u1i h LYS 680 N 0.00 0.00 -0.23 -0.67 1.63 -1.49 -3.23 116.57 112.58 1u1i h LYS 680 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1u1i h LYS 680 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1u1i h LYS 680 CO 0.00 0.00 -0.13 0.28 -3.45 0.00 0.00 179.45 176.15 1u1i n VAL 681 N -3.44 -0.15 -0.12 2.00 0.31 -1.26 -2.85 118.33 112.81 1u1i n VAL 681 Ca -0.02 1.53 -0.05 0.00 -0.01 0.00 0.00 64.34 65.79 1u1i n VAL 681 Cb 0.16 -1.99 0.01 0.00 -0.91 0.00 0.00 33.84 31.10 1u1i n VAL 681 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1u1i h LEU 682 N 0.00 -0.74 -0.82 7.52 4.07 -1.94 -2.00 115.31 121.39 1u1i h LEU 682 Ca 0.04 0.16 0.02 0.00 0.08 0.00 0.00 57.88 58.18 1u1i h LEU 682 Cb 0.09 0.39 -0.05 0.00 1.08 0.00 0.00 40.66 42.18 1u1i h LEU 682 CO -0.21 -0.24 0.54 -0.33 -1.08 0.00 0.00 178.44 177.11 1u1i h GLU 683 N -0.14 1.04 -0.24 1.13 5.08 -1.66 -1.72 114.58 118.08 1u1i h GLU 683 Ca 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1u1i h GLU 683 Cb 0.45 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1u1i h GLU 683 CO -0.50 0.69 0.00 1.17 -1.00 0.00 0.00 179.01 179.37 1u1i n LYS 684 N -4.54 0.70 0.00 2.33 4.81 -0.76 -2.80 118.16 117.90 1u1i n LYS 684 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1u1i n LYS 684 Cb 0.05 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 33.98 1u1i n LYS 684 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1u1i n MET 685 N -0.28 3.67 -0.09 1.64 1.56 -0.70 -4.51 117.12 118.42 1u1i n MET 685 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.27 1u1i n MET 685 Cb 0.06 -0.60 -0.07 0.00 2.15 0.00 0.00 33.22 34.76 1u1i n MET 685 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1u1i n LEU 686 N -0.44 2.17 0.00 -0.89 4.77 -0.89 -4.86 117.00 116.86 1u1i n LEU 686 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1u1i n LEU 686 Cb 0.03 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1u1i n LEU 686 CO 0.00 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1u1i n GLY 687 N 2.25 2.20 3.89 -0.72 0.00 -1.12 -5.07 105.19 106.62 1u1i n GLY 687 Ca -0.34 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 1u1i n GLY 687 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u1i s TYR 688 N -2.58 3.58 -0.73 1.61 4.12 -1.26 -5.07 117.35 117.02 1u1i s TYR 688 Ca 0.00 0.54 0.04 0.00 0.02 0.00 0.00 57.07 57.67 1u1i s TYR 688 Cb 0.00 -1.96 0.17 0.00 -1.52 0.00 0.00 41.96 38.65 1u1i s TYR 688 CO 0.00 0.63 0.53 -1.12 0.02 0.00 0.00 175.55 175.61 1u1i s SER 689 N -1.68 4.97 1.21 2.29 0.01 -1.26 -4.01 113.70 115.24 1u1i s SER 689 Ca 0.26 -3.83 -0.18 0.00 1.31 0.00 0.00 55.95 53.52 1u1i s SER 689 Cb -0.13 -1.67 0.29 0.00 0.21 0.00 0.00 66.02 64.72 1u1i s SER 689 CO 0.15 -0.10 1.05 -2.84 0.41 0.00 0.00 173.24 171.92 1u1i s PRO 690 N -1.43 -1.31 -0.39 12.44 0.02 -1.26 -4.93 135.00 138.13 1u1i s PRO 690 Ca 0.25 0.21 -0.29 0.00 0.02 0.00 0.00 61.00 61.19 1u1i s PRO 690 Cb -0.05 -1.56 0.01 0.00 0.02 0.00 0.00 34.50 32.92 1u1i s PRO 690 CO -0.16 -3.83 1.29 -0.47 -0.33 0.00 0.00 177.00 173.50 1u1i s TYR 691 N -2.75 2.64 -0.06 6.54 5.04 0.06 -4.94 117.35 123.88 1u1i s TYR 691 Ca 0.69 0.77 0.05 0.00 -2.44 0.00 0.00 57.07 56.15 1u1i s TYR 691 Cb -0.14 -4.19 -0.01 0.00 0.35 0.00 0.00 41.96 37.96 1u1i s TYR 691 CO 0.58 -1.64 -0.23 0.45 -1.34 0.00 0.00 175.55 173.38 1u1i s SER 692 N 3.08 3.26 -0.13 4.32 0.15 -1.26 -2.03 113.70 121.08 1u1i s SER 692 Ca 0.55 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.75 1u1i s SER 692 Cb -0.13 -0.93 0.02 0.00 -1.71 0.00 0.00 66.02 63.27 1u1i s SER 692 CO 0.29 0.24 -0.15 -0.63 1.20 0.00 0.00 173.24 174.19 1u1i s ILE 693 N -0.16 1.58 -0.29 6.45 1.01 -1.04 -5.00 121.20 123.75 1u1i s ILE 693 Ca -0.03 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 59.96 1u1i s ILE 693 Cb -0.14 -1.46 0.05 0.00 0.01 0.00 0.00 42.46 40.93 1u1i s ILE 693 CO 0.04 0.46 -0.03 -0.89 0.00 0.00 0.00 174.94 174.51 1u1i s THR 694 N 1.26 2.71 0.07 2.92 2.01 -1.26 -0.57 115.64 122.78 1u1i s THR 694 Ca 0.00 -1.50 0.05 0.00 0.31 0.00 0.00 61.69 60.55 1u1i s THR 694 Cb -0.14 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 1u1i s THR 694 CO -0.07 -0.10 -0.13 -0.70 -0.69 0.00 0.00 174.62 172.93 1u1i s GLU 695 N 1.19 0.80 -0.05 4.92 2.12 -0.45 -4.97 118.70 122.26 1u1i s GLU 695 Ca -0.06 -0.96 0.01 0.00 0.36 0.00 0.00 54.97 54.32 1u1i s GLU 695 Cb -0.20 -0.77 0.02 0.00 0.26 0.00 0.00 34.13 33.45 1u1i s GLU 695 CO -0.03 0.17 -0.04 0.42 -0.54 0.00 0.00 175.26 175.24 1u1i s ILE 696 N -1.37 0.56 0.04 -3.70 1.01 -1.26 -1.82 121.20 114.66 1u1i s ILE 696 Ca -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.56 1u1i s ILE 696 Cb -0.09 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 1u1i s ILE 696 CO 0.02 0.24 -0.13 -1.10 0.00 0.00 0.00 174.94 173.97 1u1i s GLN 697 N 1.04 0.85 0.56 2.79 -1.52 0.15 -4.98 119.66 118.55 1u1i s GLN 697 Ca -0.09 -0.75 -0.21 0.00 -1.95 0.00 0.00 55.36 52.35 1u1i s GLN 697 Cb -0.14 -0.83 -0.04 0.00 -0.22 0.00 0.00 33.01 31.77 1u1i s GLN 697 CO -0.01 0.20 1.35 -0.47 -0.25 0.00 0.00 175.29 176.11 1u1i s TYR 698 N -0.92 2.27 -0.37 0.91 6.04 -1.26 -1.36 117.35 122.66 1u1i s TYR 698 Ca -0.00 1.39 -0.04 0.00 0.04 0.00 0.00 57.07 58.46 1u1i s TYR 698 Cb -0.08 -3.78 0.20 0.00 -1.04 0.00 0.00 41.96 37.26 1u1i s TYR 698 CO 0.01 -2.89 0.98 0.12 -1.54 0.00 0.00 175.55 172.24 1u1i s PHE 699 N -1.32 -0.67 0.53 4.97 5.36 0.27 -4.75 117.98 122.38 1u1i s PHE 699 Ca 0.73 -0.10 0.23 0.00 -0.96 0.00 0.00 56.93 56.83 1u1i s PHE 699 Cb -0.40 0.13 1.39 0.00 -0.34 0.00 0.00 43.02 43.80 1u1i s PHE 699 CO 0.47 -0.50 2.05 -1.00 -1.46 0.00 0.00 175.22 174.78 1u1i h PRO 700 N 4.96 0.00 0.00 10.12 0.13 -1.83 0.64 132.00 146.02 1u1i h PRO 700 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1u1i h PRO 700 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1u1i h PRO 700 CO -0.06 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.16 1u1i n SER 701 N -4.36 0.66 0.02 1.44 2.88 -1.26 -2.16 113.62 110.84 1u1i n SER 701 Ca 0.05 0.71 0.11 0.00 -1.33 0.00 0.00 58.87 58.41 1u1i n SER 701 Cb 0.42 -0.83 0.01 0.00 -0.75 0.00 0.00 64.21 63.06 1u1i n SER 701 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1u1i n LEU 702 N -2.28 0.64 0.00 2.46 4.77 0.22 -5.01 117.00 117.80 1u1i n LEU 702 Ca 0.01 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1u1i n LEU 702 Cb 0.16 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1u1i n LEU 702 CO 0.16 0.10 0.00 0.52 -1.33 0.00 0.00 177.39 176.84 1u1i n VAL 703 N -1.82 0.00 0.20 4.08 0.31 -0.92 -1.75 118.33 118.44 1u1i n VAL 703 Ca 0.02 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.40 1u1i n VAL 703 Cb 0.41 0.00 0.43 0.00 -0.91 0.00 0.00 33.84 33.76 1u1i n VAL 703 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1u1i h ASP 704 N 0.00 0.00 -0.01 4.52 -0.00 -1.92 -2.06 116.42 116.95 1u1i h ASP 704 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 57.03 56.42 1u1i h ASP 704 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 39.33 39.43 1u1i h ASP 704 CO 0.00 0.32 1.78 -3.20 -0.00 0.00 0.00 179.24 178.14 1u1i n ASN 705 N -3.91 1.75 -4.51 2.28 4.05 -0.71 -2.66 115.26 111.54 1u1i n ASN 705 Ca -0.02 -2.59 -0.45 0.00 0.45 0.00 0.00 54.58 51.98 1u1i n ASN 705 Cb 0.39 -0.83 -0.02 0.00 1.23 0.00 0.00 39.78 40.56 1u1i n ASN 705 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1u1i n LYS 706 N 7.54 0.83 -3.82 1.20 4.81 -1.02 -4.74 118.16 122.95 1u1i n LYS 706 Ca 0.48 0.29 -0.25 0.00 -0.87 0.00 0.00 58.31 57.97 1u1i n LYS 706 Cb 0.41 -1.54 -0.17 0.00 0.02 0.00 0.00 35.03 33.75 1u1i n LYS 706 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1u1i s THR 707 N -1.10 0.64 -0.09 3.15 2.01 -0.46 -3.24 115.64 116.55 1u1i s THR 707 Ca 0.61 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.54 1u1i s THR 707 Cb -0.76 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 1u1i s THR 707 CO 0.58 0.29 -0.02 0.00 -0.69 0.00 0.00 174.62 174.79 1u1i s ALA 708 N 1.86 3.17 -0.29 7.40 0.00 -0.87 -0.72 121.76 132.32 1u1i s ALA 708 Ca 0.05 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1u1i s ALA 708 Cb -0.12 -1.42 0.09 0.00 0.00 0.00 0.00 23.12 21.66 1u1i s ALA 708 CO -0.06 0.54 0.04 -0.06 0.00 0.00 0.00 175.76 176.21 1u1i s PHE 709 N -0.72 2.53 0.18 0.00 0.40 0.28 -1.38 117.98 119.26 1u1i s PHE 709 Ca 0.11 -2.11 0.10 0.00 -0.60 0.00 0.00 56.93 54.43 1u1i s PHE 709 Cb -0.11 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1u1i s PHE 709 CO 0.02 -0.86 -0.21 -0.51 0.70 0.00 0.00 175.22 174.36 1u1i s ASP 710 N 1.34 3.01 -0.06 1.36 1.11 -1.13 -0.74 116.67 121.56 1u1i s ASP 710 Ca 0.05 -0.86 -0.03 0.00 0.18 0.00 0.00 52.55 51.89 1u1i s ASP 710 Cb -0.18 -0.20 0.03 0.00 1.07 0.00 0.00 42.92 43.64 1u1i s ASP 710 CO -0.14 0.04 0.14 0.12 1.18 0.00 0.00 175.17 176.51 1u1i s PHE 711 N -1.86 -0.15 -0.16 4.23 2.19 -0.57 -3.03 117.98 118.63 1u1i s PHE 711 Ca 0.18 0.45 0.01 0.00 0.33 0.00 0.00 56.93 57.90 1u1i s PHE 711 Cb -0.07 -0.07 0.01 0.00 -1.31 0.00 0.00 43.02 41.58 1u1i s PHE 711 CO 0.08 -0.15 -0.19 0.08 1.83 0.00 0.00 175.22 176.87 1u1i s VAL 712 N 1.02 2.24 -0.49 3.12 1.01 -0.62 0.66 120.40 127.33 1u1i s VAL 712 Ca -0.08 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.86 1u1i s VAL 712 Cb -0.10 -1.92 0.11 0.00 0.00 0.00 0.00 36.38 34.46 1u1i s VAL 712 CO -0.05 0.53 0.41 -2.28 0.00 0.00 0.00 175.10 173.72 1u1i s HIS 713 N 0.97 3.29 -0.04 5.22 2.46 0.12 -2.24 115.29 125.08 1u1i s HIS 713 Ca -0.03 -1.34 0.05 0.00 0.47 0.00 0.00 55.06 54.22 1u1i s HIS 713 Cb -0.15 -3.47 -0.01 0.00 -0.13 0.00 0.00 32.58 28.82 1u1i s HIS 713 CO -0.05 -0.94 -0.20 -0.59 -2.47 0.00 0.00 174.74 170.50 1u1i s PHE 714 N 1.54 1.92 0.00 3.88 -0.12 -1.15 -0.55 117.98 123.50 1u1i s PHE 714 Ca 0.04 -0.48 -0.15 0.00 -0.05 0.00 0.00 56.93 56.28 1u1i s PHE 714 Cb -0.27 -1.26 -0.06 0.00 -0.63 0.00 0.00 43.02 40.80 1u1i s PHE 714 CO 0.03 -0.12 0.42 0.21 -0.05 0.00 0.00 175.22 175.71 1u1i s LYS 715 N -0.21 3.94 0.00 1.99 2.20 0.14 -2.22 119.74 125.58 1u1i s LYS 715 Ca 0.01 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1u1i s LYS 715 Cb -0.11 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1u1i s LYS 715 CO 0.01 0.68 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 1u1i n GLY 716 N 1.83 3.31 0.00 5.54 0.00 0.24 -1.20 105.19 114.91 1u1i n GLY 716 Ca -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1u1i n GLY 716 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u1i n PHE 717 N 0.00 0.00 -0.39 1.61 7.35 -1.26 -3.50 117.46 121.27 1u1i n PHE 717 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 1u1i n PHE 717 Cb 0.00 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.85 1u1i n PHE 717 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1u1i n LEU 718 N 0.00 5.34 0.00 -2.13 4.77 -1.26 -4.57 117.00 119.15 1u1i n LEU 718 Ca 0.00 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 1u1i n LEU 718 Cb 0.00 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1u1i n LEU 718 CO 0.00 0.99 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 1u1i n GLY 719 N 0.85 0.76 3.65 -0.72 0.00 -1.23 -5.02 105.19 103.49 1u1i n GLY 719 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1u1i n GLY 719 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1i s LYS 720 N -0.34 3.96 0.26 1.61 2.47 -1.26 -4.60 119.74 121.84 1u1i s LYS 720 Ca 0.00 2.48 -0.18 0.00 -1.56 0.00 0.00 55.97 56.71 1u1i s LYS 720 Cb 0.00 -4.19 -0.08 0.00 -1.46 0.00 0.00 37.83 32.10 1u1i s LYS 720 CO 0.00 -1.15 0.72 -0.51 0.16 0.00 0.00 175.35 174.57 1u1i s LEU 721 N 5.12 4.24 0.22 5.43 1.43 -1.26 0.83 118.68 134.68 1u1i s LEU 721 Ca 0.90 1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.23 1u1i s LEU 721 Cb -0.40 -3.76 -0.00 0.00 0.03 0.00 0.00 46.19 42.06 1u1i s LEU 721 CO 0.40 -0.05 0.43 -0.04 0.23 0.00 0.00 176.35 177.32 1u1i s MET 722 N -2.34 1.42 0.31 1.70 -1.94 -0.94 -4.96 119.30 112.54 1u1i s MET 722 Ca 0.47 -1.18 0.03 0.00 -1.71 0.00 0.00 55.69 53.30 1u1i s MET 722 Cb -0.14 0.45 -0.04 0.00 2.01 0.00 0.00 34.83 37.11 1u1i s MET 722 CO 0.20 -0.58 0.15 0.15 -0.01 0.00 0.00 175.02 174.92 1u1i s LYS 723 N -3.98 1.60 -0.21 2.03 1.02 -1.26 -2.95 119.74 115.99 1u1i s LYS 723 Ca 0.19 -1.91 -0.08 0.00 0.02 0.00 0.00 55.97 54.19 1u1i s LYS 723 Cb 0.00 -0.19 0.09 0.00 -0.52 0.00 0.00 37.83 37.22 1u1i s LYS 723 CO 0.05 -0.42 0.45 0.12 -0.92 0.00 0.00 175.35 174.62 1u1i s PHE 724 N -3.58 -0.83 0.44 3.18 2.19 -0.95 -4.99 117.98 113.44 1u1i s PHE 724 Ca 0.35 1.58 0.05 0.00 0.33 0.00 0.00 56.93 59.24 1u1i s PHE 724 Cb 0.05 0.35 -0.06 0.00 -1.31 0.00 0.00 43.02 42.06 1u1i s PHE 724 CO 0.17 -0.48 0.01 0.71 1.83 0.00 0.00 175.22 177.46 1u1i s TYR 725 N 2.45 2.29 -0.25 10.12 1.51 -1.26 -1.59 117.35 130.62 1u1i s TYR 725 Ca -0.03 -0.77 -0.35 0.00 -1.01 0.00 0.00 57.07 54.90 1u1i s TYR 725 Cb -0.11 -1.71 0.16 0.00 -0.11 0.00 0.00 41.96 40.19 1u1i s TYR 725 CO -0.13 0.36 1.31 -0.59 -1.11 0.00 0.00 175.55 175.39 1u1i s PHE 726 N -2.78 -0.07 -0.06 2.71 -0.71 -1.17 -5.02 117.98 110.88 1u1i s PHE 726 Ca 0.25 0.07 0.01 0.00 -1.04 0.00 0.00 56.93 56.22 1u1i s PHE 726 Cb 0.07 0.50 0.02 0.00 -1.21 0.00 0.00 43.02 42.40 1u1i s PHE 726 CO 0.13 -0.09 -0.07 0.42 -1.34 0.00 0.00 175.22 174.27 1u1i s ILE 727 N -1.86 0.77 -0.53 -4.49 1.01 -1.26 -2.82 121.20 112.03 1u1i s ILE 727 Ca 0.10 -0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 1u1i s ILE 727 Cb -0.01 -0.76 0.09 0.00 0.01 0.00 0.00 42.46 41.78 1u1i s ILE 727 CO -0.04 0.28 0.56 0.86 0.00 0.00 0.00 174.94 176.60 1u1i s TRP 728 N 0.96 3.12 -0.34 3.97 -0.11 -0.48 -4.98 118.94 121.08 1u1i s TRP 728 Ca -0.10 -0.89 -0.08 0.00 1.22 0.00 0.00 56.10 56.24 1u1i s TRP 728 Cb -0.15 -3.62 0.03 0.00 -1.50 0.00 0.00 33.47 28.23 1u1i s TRP 728 CO 0.00 -1.04 0.14 0.34 -4.62 0.00 0.00 176.95 171.78 1u1i s ASP 729 N 3.09 5.46 0.07 5.86 2.15 -1.26 -2.04 116.67 130.00 1u1i s ASP 729 Ca 0.09 -0.99 -0.27 0.00 0.43 0.00 0.00 52.55 51.81 1u1i s ASP 729 Cb -0.24 -1.94 0.09 0.00 -0.30 0.00 0.00 42.92 40.53 1u1i s ASP 729 CO 0.07 -0.32 1.05 0.00 -0.17 0.00 0.00 175.17 175.80 1u1i s ALA 730 N 1.49 -1.85 -0.19 3.66 0.00 -1.20 -5.10 121.76 118.57 1u1i s ALA 730 Ca 0.01 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 1u1i s ALA 730 Cb -0.19 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1u1i s ALA 730 CO 0.04 -0.97 0.45 0.42 0.00 0.00 0.00 175.76 175.71 1u1i s ILE 731 N -2.99 5.16 0.08 0.00 -1.09 -1.26 -2.44 121.20 118.67 1u1i s ILE 731 Ca 0.11 0.83 -0.31 0.00 -2.23 0.00 0.00 60.65 59.06 1u1i s ILE 731 Cb 0.00 -3.78 -0.14 0.00 -1.58 0.00 0.00 42.46 36.96 1u1i s ILE 731 CO -0.01 0.24 1.49 0.44 -1.23 0.00 0.00 174.94 175.86 1u1i h ASP 732 N 7.30 -1.33 -0.95 3.58 5.19 -1.84 -3.10 116.42 125.28 1u1i h ASP 732 Ca -0.36 0.13 0.25 0.00 -0.62 0.00 0.00 57.03 56.42 1u1i h ASP 732 Cb 1.16 0.47 -0.17 0.00 0.18 0.00 0.00 39.33 40.97 1u1i h ASP 732 CO 0.73 -0.53 0.00 0.00 -3.12 0.00 0.00 179.24 176.32 1u1i h ALA 733 N -0.81 1.06 -0.33 3.45 0.00 -1.89 -2.44 119.26 118.29 1u1i h ALA 733 Ca -0.03 0.33 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 1u1i h ALA 733 Cb 0.71 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1u1i h ALA 733 CO -0.17 -0.52 -0.39 0.82 0.00 0.00 0.00 179.25 178.98 1u1i h ILE 734 N 0.03 1.28 0.00 0.00 1.08 -1.89 -0.51 117.51 117.50 1u1i h ILE 734 Ca 0.55 -1.57 -0.19 0.00 -0.39 0.00 0.00 64.86 63.27 1u1i h ILE 734 Cb 1.09 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 36.27 1u1i h ILE 734 CO -0.88 0.51 -0.94 -0.37 -0.69 0.00 0.00 178.15 175.78 1u1i h VAL 735 N 0.64 1.50 0.18 1.67 -1.51 -1.46 -3.36 116.25 113.91 1u1i h VAL 735 Ca 0.05 -3.14 -0.31 0.00 -1.23 0.00 0.00 66.70 62.07 1u1i h VAL 735 Cb 0.95 2.74 0.02 0.00 -2.13 0.00 0.00 31.29 32.87 1u1i h VAL 735 CO 0.09 0.85 -1.48 0.00 -1.23 0.00 0.00 177.57 175.81 1u1i h ALA 736 N 1.10 0.04 -0.80 5.19 0.00 -1.47 -3.38 119.26 119.94 1u1i h ALA 736 Ca -0.02 -0.99 0.13 0.00 0.00 0.00 0.00 54.91 54.03 1u1i h ALA 736 Cb 1.70 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 19.69 1u1i h ALA 736 CO 0.11 0.80 -0.36 0.00 0.00 0.00 0.00 179.25 179.80 1u1i h ALA 737 N 0.08 0.06 -0.01 0.00 0.00 -1.23 -0.05 119.26 118.12 1u1i h ALA 737 Ca -0.29 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1u1i h ALA 737 Cb 1.98 0.90 -0.01 0.00 0.00 0.00 0.00 17.79 20.66 1u1i h ALA 737 CO 0.18 -0.65 -0.31 -1.00 0.00 0.00 0.00 179.25 177.46 1u1i h PRO 738 N -0.08 0.02 -0.13 0.00 0.14 -1.74 -1.65 132.00 128.56 1u1i h PRO 738 Ca 0.29 -0.01 -0.00 0.00 0.14 0.00 0.00 66.00 66.43 1u1i h PRO 738 Cb 0.57 -0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.71 1u1i h PRO 738 CO -0.84 0.33 0.08 -0.07 0.14 0.00 0.00 178.00 177.64 1u1i h LEU 739 N 0.01 0.15 -0.62 1.56 3.38 -1.19 -1.69 115.31 116.92 1u1i h LEU 739 Ca -0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1u1i h LEU 739 Cb 0.56 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1u1i h LEU 739 CO 0.04 0.11 0.19 0.40 0.09 0.00 0.00 178.44 179.27 1u1i h ILE 740 N 0.17 1.25 0.98 1.22 1.08 -1.05 0.34 117.51 121.49 1u1i h ILE 740 Ca 0.05 -0.85 -0.05 0.00 -0.39 0.00 0.00 64.86 63.62 1u1i h ILE 740 Cb -0.01 0.63 0.01 0.00 -3.07 0.00 0.00 36.82 34.38 1u1i h ILE 740 CO -0.01 0.32 -0.47 -0.07 -0.69 0.00 0.00 178.15 177.23 1u1i h LEU 741 N 0.88 -1.11 -0.74 1.44 3.38 -1.38 -1.35 115.31 116.43 1u1i h LEU 741 Ca 0.20 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.28 1u1i h LEU 741 Cb 0.30 0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 1u1i h LEU 741 CO -0.00 -0.78 -0.56 0.44 0.09 0.00 0.00 178.44 177.63 1u1i h ASP 742 N -1.35 -1.98 -1.01 -0.43 3.45 -1.21 0.57 116.42 114.46 1u1i h ASP 742 Ca -0.13 0.29 0.13 0.00 0.43 0.00 0.00 57.03 57.75 1u1i h ASP 742 Cb 1.01 0.86 -0.09 0.00 -0.56 0.00 0.00 39.33 40.55 1u1i h ASP 742 CO 0.22 -0.31 0.63 0.40 -1.57 0.00 0.00 179.24 178.61 1u1i h ILE 743 N -0.17 0.88 0.64 0.35 2.04 -0.36 0.52 117.51 121.41 1u1i h ILE 743 Ca 0.13 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1u1i h ILE 743 Cb 0.50 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1u1i h ILE 743 CO -0.79 0.17 -0.32 0.00 0.00 0.00 0.00 178.15 177.22 1u1i h ALA 744 N 1.56 -0.87 0.01 1.87 0.00 0.77 -0.93 119.26 121.67 1u1i h ALA 744 Ca 0.51 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1u1i h ALA 744 Cb 0.57 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1u1i h ALA 744 CO -0.29 -0.99 -0.05 0.00 0.00 0.00 0.00 179.25 177.92 1u1i h ARG 745 N -0.87 -0.09 0.00 0.00 3.08 0.81 -1.76 114.38 115.55 1u1i h ARG 745 Ca -0.09 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1u1i h ARG 745 Cb 0.67 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1u1i h ARG 745 CO 0.14 -0.06 0.00 1.19 -1.07 0.00 0.00 179.97 180.17 1u1i n PHE 746 N -5.16 0.59 0.03 3.04 3.72 0.17 -1.93 117.46 117.92 1u1i n PHE 746 Ca -0.06 0.26 -0.10 0.00 -0.05 0.00 0.00 57.45 57.49 1u1i n PHE 746 Cb 0.09 -0.92 -0.13 0.00 -0.94 0.00 0.00 39.48 37.58 1u1i n PHE 746 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1u1i h LEU 747 N 0.00 0.11 0.17 4.37 3.38 -0.29 -3.07 115.31 119.98 1u1i h LEU 747 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1u1i h LEU 747 Cb 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1u1i h LEU 747 CO 0.00 1.13 -0.08 0.25 0.09 0.00 0.00 178.44 179.83 1u1i h LEU 748 N 0.02 -0.20 -0.39 1.67 5.85 -0.91 -2.86 115.31 118.49 1u1i h LEU 748 Ca -0.19 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.30 1u1i h LEU 748 Cb 1.93 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.93 1u1i h LEU 748 CO 0.12 0.21 -0.52 0.15 -0.34 0.00 0.00 178.44 178.06 1u1i h PHE 749 N -0.65 -1.58 -0.29 1.25 3.57 -1.53 -1.68 116.94 116.03 1u1i h PHE 749 Ca -0.02 0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.64 1u1i h PHE 749 Cb 0.47 0.74 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1u1i h PHE 749 CO 0.05 -0.48 0.21 0.00 -2.23 0.00 0.00 178.31 175.85 1u1i h ALA 750 N 0.07 2.27 -0.05 2.41 0.00 -1.58 -1.66 119.26 120.72 1u1i h ALA 750 Ca 0.09 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.75 1u1i h ALA 750 Cb 0.60 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1u1i h ALA 750 CO -0.58 -0.36 -0.92 -0.22 0.00 0.00 0.00 179.25 177.17 1u1i h LYS 751 N 0.00 0.63 0.00 0.00 3.64 -1.12 0.17 116.57 119.89 1u1i h LYS 751 Ca 0.14 -0.62 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1u1i h LYS 751 Cb 0.55 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1u1i h LYS 751 CO -0.00 1.22 -0.07 0.87 -2.27 0.00 0.00 179.45 179.20 1u1i h LYS 752 N 0.39 0.00 -0.68 1.90 1.79 -0.46 -2.91 116.57 116.59 1u1i h LYS 752 Ca -0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1u1i h LYS 752 Cb 1.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.21 1u1i h LYS 752 CO 0.18 0.07 0.00 1.63 -1.08 0.00 0.00 179.45 180.25 1u1i n LYS 753 N -3.21 2.60 -0.90 3.15 4.76 -0.72 -4.94 118.16 118.90 1u1i n LYS 753 Ca 0.00 -2.49 0.00 0.00 -2.87 0.00 0.00 58.31 52.96 1u1i n LYS 753 Cb 0.33 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1u1i n LYS 753 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u1i n GLY 754 N 1.60 0.93 3.63 0.72 0.00 -1.10 -5.00 105.19 105.98 1u1i n GLY 754 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1u1i n GLY 754 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1i s VAL 755 N -3.73 3.17 0.54 1.61 1.01 0.57 -5.00 120.40 118.58 1u1i s VAL 755 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1u1i s VAL 755 Cb 0.00 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.26 1u1i s VAL 755 CO 0.00 -0.06 0.44 -1.59 0.00 0.00 0.00 175.10 173.88 1u1i s LYS 756 N 5.15 2.26 2.03 2.72 -2.85 -1.26 -3.07 119.74 124.73 1u1i s LYS 756 Ca 0.89 -1.98 0.00 0.00 -1.00 0.00 0.00 55.97 53.88 1u1i s LYS 756 Cb -0.35 -2.15 0.00 0.00 -2.06 0.00 0.00 37.83 33.27 1u1i s LYS 756 CO 0.36 -0.63 0.00 0.41 0.10 0.00 0.00 175.35 175.59 1u1i n GLY 757 N -1.80 -0.61 3.63 0.59 0.00 -1.05 -4.68 105.19 101.27 1u1i n GLY 757 Ca -0.00 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1u1i n GLY 757 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u1i n VAL 758 N -1.62 3.03 -3.38 1.61 0.31 -1.26 -2.57 118.33 114.46 1u1i n VAL 758 Ca 0.00 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.46 1u1i n VAL 758 Cb 0.00 -1.24 -0.04 0.00 -0.91 0.00 0.00 33.84 31.65 1u1i n VAL 758 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1u1i n VAL 759 N -1.00 3.69 -0.04 2.52 0.31 -0.63 -4.84 118.33 118.32 1u1i n VAL 759 Ca 0.11 -5.40 0.23 0.00 -0.01 0.00 0.00 64.34 59.27 1u1i n VAL 759 Cb 0.43 -2.25 0.71 0.00 -0.91 0.00 0.00 33.84 31.82 1u1i n VAL 759 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1u1i h LYS 760 N 5.49 0.00 0.00 5.55 6.56 -1.89 0.30 116.57 132.57 1u1i h LYS 760 Ca 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 1u1i h LYS 760 Cb 0.73 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.39 1u1i h LYS 760 CO 1.01 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 178.79 1u1i n GLU 761 N -4.24 0.14 -0.03 3.15 4.71 -1.26 -1.93 120.64 121.17 1u1i n GLU 761 Ca 0.12 0.29 0.08 0.00 -0.01 0.00 0.00 57.16 57.64 1u1i n GLU 761 Cb 0.72 -1.72 0.41 0.00 -1.01 0.00 0.00 31.44 29.85 1u1i n GLU 761 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1u1i n MET 762 N -1.97 1.20 0.11 3.49 2.81 0.10 -4.10 117.12 118.77 1u1i n MET 762 Ca 0.04 -0.31 0.20 0.00 -1.81 0.00 0.00 57.70 55.82 1u1i n MET 762 Cb 0.27 -1.27 0.73 0.00 -0.71 0.00 0.00 33.22 32.24 1u1i n MET 762 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u1i h ALA 763 N 3.61 2.05 0.00 3.04 0.00 -1.53 -2.20 119.26 124.23 1u1i h ALA 763 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u1i h ALA 763 Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1u1i h ALA 763 CO 0.00 -0.67 0.00 0.35 0.00 0.00 0.00 179.25 178.93 1u1i h PHE 764 N 0.00 0.00 -0.00 0.00 3.04 -1.73 -1.40 116.94 116.84 1u1i h PHE 764 Ca 0.18 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.13 1u1i h PHE 764 Cb 1.13 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.64 1u1i h PHE 764 CO 0.00 0.00 -0.32 1.19 -2.02 0.00 0.00 178.31 177.16 1u1i n PHE 765 N -3.08 0.00 -4.28 0.41 3.01 -0.83 -4.88 117.46 107.82 1u1i n PHE 765 Ca -0.03 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.25 1u1i n PHE 765 Cb 0.08 -0.18 -0.11 0.00 -0.01 0.00 0.00 39.48 39.27 1u1i n PHE 765 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1u1i s PHE 766 N -2.68 1.50 -0.06 1.38 0.40 -0.53 0.70 117.98 118.69 1u1i s PHE 766 Ca 0.20 -0.59 0.20 0.00 -0.60 0.00 0.00 56.93 56.13 1u1i s PHE 766 Cb 0.19 -0.75 -0.30 0.00 0.51 0.00 0.00 43.02 42.67 1u1i s PHE 766 CO 0.58 0.21 0.37 0.36 0.70 0.00 0.00 175.22 177.44 1u1i n LYS 767 N 0.13 0.67 -3.25 0.44 2.85 0.75 -4.50 118.16 115.25 1u1i n LYS 767 Ca -0.12 -0.15 -0.31 0.00 -1.05 0.00 0.00 58.31 56.68 1u1i n LYS 767 Cb 0.59 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 33.43 1u1i n LYS 767 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1u1i n SER 768 N -2.30 4.51 -4.77 -5.58 2.88 -0.99 -4.90 113.62 102.48 1u1i n SER 768 Ca -0.09 -3.49 -0.40 0.00 -1.33 0.00 0.00 58.87 53.57 1u1i n SER 768 Cb 0.64 -0.79 -0.06 0.00 -0.75 0.00 0.00 64.21 63.25 1u1i n SER 768 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1u1i s PRO 769 N -2.75 4.67 0.53 -1.46 0.04 -1.26 -4.17 135.00 130.60 1u1i s PRO 769 Ca 0.39 1.28 -0.19 0.00 0.04 0.00 0.00 61.00 62.52 1u1i s PRO 769 Cb 0.15 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 1u1i s PRO 769 CO -0.01 0.55 1.07 -1.64 0.04 0.00 0.00 177.00 177.01 1u1i s MET 770 N -1.13 3.52 -1.38 4.56 -1.94 -1.19 -4.26 119.30 117.48 1u1i s MET 770 Ca 0.38 1.40 -0.05 0.00 -1.71 0.00 0.00 55.69 55.71 1u1i s MET 770 Cb -0.24 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.55 1u1i s MET 770 CO 0.28 -0.67 0.42 -0.25 -0.01 0.00 0.00 175.02 174.80 1u1i n ASP 771 N -1.35 -0.96 -3.61 3.03 8.00 -1.26 -4.62 116.55 115.78 1u1i n ASP 771 Ca 0.10 -1.06 -0.04 0.00 0.71 0.00 0.00 54.79 54.50 1u1i n ASP 771 Cb 0.52 -2.83 -0.03 0.00 -0.02 0.00 0.00 41.12 38.76 1u1i n ASP 771 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1u1i s THR 772 N -3.93 0.00 -0.57 -3.53 -1.32 -1.26 -4.86 115.64 100.17 1u1i s THR 772 Ca 0.09 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.77 1u1i s THR 772 Cb -0.04 -1.00 -0.26 0.00 -1.51 0.00 0.00 72.50 69.70 1u1i s THR 772 CO 0.90 0.00 0.68 -0.46 -2.21 0.00 0.00 174.62 173.54 1u1i n ASN 773 N 0.18 0.69 -4.54 8.08 0.23 -1.26 -4.88 115.26 113.75 1u1i n ASN 773 Ca -0.00 -0.57 -0.40 0.00 -0.53 0.00 0.00 54.58 53.07 1u1i n ASN 773 Cb 0.58 1.38 -0.05 0.00 -2.08 0.00 0.00 39.78 39.61 1u1i n ASN 773 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1u1i n VAL 774 N -1.77 0.05 -0.12 3.53 0.31 -1.26 -4.72 118.33 114.35 1u1i n VAL 774 Ca 0.01 -0.58 -0.19 0.00 -0.01 0.00 0.00 64.34 63.57 1u1i n VAL 774 Cb 0.40 -2.38 -0.10 0.00 -0.91 0.00 0.00 33.84 30.85 1u1i n VAL 774 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1u1i n ILE 775 N 7.80 1.31 -0.95 2.52 2.08 -1.26 -4.86 119.36 125.99 1u1i n ILE 775 Ca 0.39 -0.45 -0.37 0.00 0.56 0.00 0.00 62.75 62.88 1u1i n ILE 775 Cb 0.43 -1.46 -0.05 0.00 -0.75 0.00 0.00 39.64 37.81 1u1i n ILE 775 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1u1i n ASN 776 N -3.45 0.16 0.04 4.38 2.85 -1.26 -4.79 115.26 113.18 1u1i n ASN 776 Ca -0.42 0.71 -0.13 0.00 -0.11 0.00 0.00 54.58 54.63 1u1i n ASN 776 Cb 0.90 -0.56 -0.09 0.00 1.24 0.00 0.00 39.78 41.27 1u1i n ASN 776 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1u1i h THR 777 N 2.10 1.15 -0.61 -0.44 2.02 -1.27 -0.19 112.91 115.67 1u1i h THR 777 Ca -0.30 -0.83 0.04 0.00 0.77 0.00 0.00 66.41 66.09 1u1i h THR 777 Cb 0.87 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.93 1u1i h THR 777 CO 0.44 0.20 0.41 0.45 0.37 0.00 0.00 175.52 177.39 1u1i h HIS 778 N -0.48 0.66 -0.21 3.16 3.86 -1.90 -1.04 115.15 119.20 1u1i h HIS 778 Ca -0.01 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.10 1u1i h HIS 778 Cb 0.41 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1u1i h HIS 778 CO 0.05 0.38 -0.38 0.93 0.86 0.00 0.00 177.93 179.76 1u1i h GLU 779 N 0.68 0.47 0.00 2.45 5.08 -1.86 -2.46 114.58 118.94 1u1i h GLU 779 Ca 0.25 -0.22 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1u1i h GLU 779 Cb 0.15 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1u1i h GLU 779 CO -0.07 0.78 -0.88 1.96 -1.00 0.00 0.00 179.01 179.80 1u1i h GLN 780 N 0.39 0.00 0.12 2.33 4.20 0.00 -2.75 115.11 119.40 1u1i h GLN 780 Ca 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1u1i h GLN 780 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1u1i h GLN 780 CO 0.07 0.88 -0.06 0.35 -0.67 0.00 0.00 178.83 179.40 1u1i h PHE 781 N 0.00 -0.15 -0.65 2.96 -0.00 -1.20 -2.21 116.94 115.69 1u1i h PHE 781 Ca -0.01 -0.00 0.07 0.00 -0.00 0.00 0.00 57.97 58.03 1u1i h PHE 781 Cb 1.61 0.05 -0.06 0.00 -0.00 0.00 0.00 35.95 37.55 1u1i h PHE 781 CO 0.00 0.34 0.33 0.28 -0.00 0.00 0.00 178.31 179.26 1u1i h VAL 782 N -0.78 0.91 -0.05 1.41 2.07 -1.53 -0.54 116.25 117.75 1u1i h VAL 782 Ca -0.02 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1u1i h VAL 782 Cb 0.55 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1u1i h VAL 782 CO 0.03 0.11 0.04 0.58 0.02 0.00 0.00 177.57 178.35 1u1i h VAL 783 N 0.60 0.97 0.00 2.57 2.07 -1.53 -0.34 116.25 120.60 1u1i h VAL 783 Ca 0.30 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.68 1u1i h VAL 783 Cb 0.25 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1u1i h VAL 783 CO -0.21 0.00 -0.69 0.25 0.02 0.00 0.00 177.57 176.93 1u1i h LEU 784 N 0.00 0.00 0.38 2.57 5.85 -0.49 -2.56 115.31 121.06 1u1i h LEU 784 Ca 0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1u1i h LEU 784 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1u1i h LEU 784 CO -0.00 0.68 -0.18 0.11 -0.34 0.00 0.00 178.44 178.71 1u1i h LYS 785 N 0.00 -0.50 -0.15 1.25 1.57 0.15 -2.93 116.57 115.97 1u1i h LYS 785 Ca -0.01 0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 1u1i h LYS 785 Cb 1.53 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.94 1u1i h LYS 785 CO 0.09 -0.22 -0.57 0.93 -0.57 0.00 0.00 179.45 179.10 1u1i h GLU 786 N -0.73 0.47 -0.94 3.15 5.08 -1.47 -2.01 114.58 118.11 1u1i h GLU 786 Ca -0.05 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1u1i h GLU 786 Cb 0.51 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1u1i h GLU 786 CO 0.09 0.91 0.61 2.35 -1.00 0.00 0.00 179.01 181.97 1u1i h TRP 787 N 0.35 1.15 -0.24 4.33 7.01 -1.51 -0.37 115.95 126.68 1u1i h TRP 787 Ca 0.00 0.03 -0.19 0.00 2.11 0.00 0.00 58.89 60.84 1u1i h TRP 787 Cb 1.11 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 1u1i h TRP 787 CO 0.04 0.65 -0.59 -0.92 -2.79 0.00 0.00 178.44 174.83 1u1i h TYR 788 N 1.18 0.98 -0.12 2.65 3.20 -1.30 -2.78 116.97 120.78 1u1i h TYR 788 Ca 0.38 -0.36 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1u1i h TYR 788 Cb 0.02 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1u1i h TYR 788 CO -0.01 1.17 0.02 0.77 -1.64 0.00 0.00 178.16 178.47 1u1i h SER 789 N 0.58 0.18 -0.91 -2.11 0.02 -0.99 0.45 113.55 110.78 1u1i h SER 789 Ca 0.00 -0.26 0.24 0.00 -0.84 0.00 0.00 61.79 60.93 1u1i h SER 789 Cb 1.19 -0.05 -0.13 0.00 0.14 0.00 0.00 62.40 63.55 1u1i h SER 789 CO 0.12 0.40 0.38 0.78 -1.14 0.00 0.00 176.83 177.38 1u1i h ASN 790 N -0.04 0.29 0.96 3.07 4.21 -1.13 -1.39 115.58 121.55 1u1i h ASN 790 Ca 0.03 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.71 1u1i h ASN 790 Cb 0.29 0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 1u1i h ASN 790 CO 0.00 -0.05 -0.75 -0.07 -1.29 0.00 0.00 177.43 175.28 1u1i h LEU 791 N 0.36 0.00 0.00 1.61 3.38 -1.09 -3.52 115.31 116.05 1u1i h LEU 791 Ca 0.58 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1u1i h LEU 791 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1u1i h LEU 791 CO -0.56 0.06 0.00 0.29 0.09 0.00 0.00 178.44 178.32