#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4i s THR 541 N 0.00 3.48 0.79 0.58 -4.23 -1.26 -1.18 115.64 113.82 1r4i s THR 541 Ca 0.00 -1.40 -0.15 0.00 -1.18 0.00 0.00 61.69 58.96 1r4i s THR 541 Cb 0.00 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.16 1r4i s THR 541 CO 0.00 -0.02 0.75 0.00 -0.54 0.00 0.00 174.62 174.81 1r4i n LEU 543 N -1.49 2.13 -0.02 0.00 7.94 -0.91 -3.48 117.00 121.17 1r4i n LEU 543 Ca 0.11 -0.99 -0.02 0.00 -1.11 0.00 0.00 56.01 53.99 1r4i n LEU 543 Cb 0.51 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.45 1r4i n LEU 543 CO 0.50 0.39 -0.15 -0.38 -1.11 0.00 0.00 177.39 176.64 1r4i n ILE 544 N 0.75 0.39 0.02 1.96 2.08 -1.26 -4.76 119.36 118.54 1r4i n ILE 544 Ca 0.08 0.35 -0.05 0.00 0.56 0.00 0.00 62.75 63.68 1r4i n ILE 544 Cb 0.34 -1.62 -0.11 0.00 -0.75 0.00 0.00 39.64 37.50 1r4i n ILE 544 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1r4i n GLY 546 N 1.46 0.75 0.00 0.00 0.00 -1.23 -4.07 105.19 102.10 1r4i n GLY 546 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1r4i n GLY 546 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r4i n ASP 547 N 0.00 0.00 -4.69 1.61 4.64 -1.26 -4.33 116.55 112.52 1r4i n ASP 547 Ca 0.00 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.07 1r4i n ASP 547 Cb 0.00 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 39.99 1r4i n ASP 547 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1r4i s GLU 548 N 0.00 2.89 0.10 -0.67 2.56 -1.26 -3.57 118.70 118.75 1r4i s GLU 548 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 54.97 54.34 1r4i s GLU 548 Cb 0.00 -2.73 -0.06 0.00 2.00 0.00 0.00 34.13 33.34 1r4i s GLU 548 CO 0.00 0.66 0.46 0.00 -0.56 0.00 0.00 175.26 175.82 1r4i s ALA 549 N -0.99 3.67 0.00 6.30 0.00 -0.33 -3.48 121.76 126.93 1r4i s ALA 549 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1r4i s ALA 549 Cb -0.11 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1r4i s ALA 549 CO 0.07 0.52 0.00 0.43 0.00 0.00 0.00 175.76 176.77 1r4i n SER 550 N 0.95 0.92 0.00 0.00 7.64 -0.89 -4.91 113.62 117.32 1r4i n SER 550 Ca -0.07 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.40 1r4i n SER 550 Cb 0.52 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.72 1r4i n SER 550 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r4i n GLY 551 N 1.27 0.81 3.75 0.23 0.00 -1.26 -5.04 105.19 104.95 1r4i n GLY 551 Ca 0.00 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 1r4i n GLY 551 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r4i s ALA 552 N -1.00 3.55 -0.08 4.61 0.00 -1.26 -2.94 121.76 124.64 1r4i s ALA 552 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 1r4i s ALA 552 Cb 0.00 -2.55 0.04 0.00 0.00 0.00 0.00 23.12 20.61 1r4i s ALA 552 CO 0.00 0.15 0.16 -1.01 0.00 0.00 0.00 175.76 175.06 1r4i s HIS 553 N 0.12 -0.18 -0.10 0.00 3.76 -1.20 -4.83 115.29 112.85 1r4i s HIS 553 Ca 0.24 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 1r4i s HIS 553 Cb -0.15 -0.16 0.00 0.00 1.11 0.00 0.00 32.58 33.38 1r4i s HIS 553 CO 0.11 -0.22 0.00 0.66 -0.85 0.00 0.00 174.74 174.43 1r4i n TYR 554 N 4.76 -0.09 -0.97 1.40 4.01 -1.26 -4.28 117.16 120.72 1r4i n TYR 554 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1r4i n TYR 554 Cb 0.51 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.43 1r4i n TYR 554 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1r4i n GLY 555 N 0.27 0.43 2.57 2.72 0.00 -1.26 -0.88 105.19 109.04 1r4i n GLY 555 Ca -0.01 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.31 1r4i n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r4i n ALA 556 N -0.66 -0.16 -1.78 4.61 0.00 -1.25 -4.65 120.51 116.63 1r4i n ALA 556 Ca 0.00 -0.60 -0.41 0.00 0.00 0.00 0.00 53.44 52.43 1r4i n ALA 556 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 1r4i n ALA 556 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r4i s LEU 557 N 7.15 4.35 0.07 0.00 1.02 -1.26 -3.23 118.68 126.78 1r4i s LEU 557 Ca 0.15 2.93 -0.00 0.00 0.02 0.00 0.00 54.13 57.23 1r4i s LEU 557 Cb 0.05 -3.66 -0.04 0.00 0.02 0.00 0.00 46.19 42.56 1r4i s LEU 557 CO 0.28 -0.77 -0.04 0.42 0.02 0.00 0.00 176.35 176.26 1r4i s THR 558 N -1.07 0.39 0.84 5.49 -4.23 -1.15 -2.13 115.64 113.77 1r4i s THR 558 Ca 0.52 -1.84 -0.13 0.00 -1.18 0.00 0.00 61.69 59.06 1r4i s THR 558 Cb -0.44 -1.56 0.11 0.00 1.34 0.00 0.00 72.50 71.95 1r4i s THR 558 CO 0.59 -0.95 1.20 0.00 -0.54 0.00 0.00 174.62 174.93 1r4i h GLY 560 N -1.18 -0.70 0.85 0.00 0.00 -1.94 -2.41 103.07 97.69 1r4i h GLY 560 Ca -0.45 0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 1r4i h GLY 560 CO 0.57 -0.21 0.04 1.48 0.00 0.00 0.00 176.54 178.43 1r4i h SER 561 N -0.46 0.25 -0.96 0.19 4.64 -1.96 -2.86 113.55 112.39 1r4i h SER 561 Ca 0.09 -0.22 0.25 0.00 -0.47 0.00 0.00 61.79 61.43 1r4i h SER 561 Cb 0.62 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.58 1r4i h SER 561 CO -0.45 0.40 0.65 0.00 -0.87 0.00 0.00 176.83 176.56 1r4i n LYS 563 N -4.45 0.00 -0.34 0.00 0.00 -0.92 -1.35 118.16 111.09 1r4i n LYS 563 Ca 0.21 0.48 0.21 0.00 0.00 0.00 0.00 58.31 59.21 1r4i n LYS 563 Cb 0.86 -1.41 0.44 0.00 0.00 0.00 0.00 35.03 34.92 1r4i n LYS 563 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1r4i h VAL 564 N 0.00 0.44 0.85 3.15 2.07 -0.94 -1.57 116.25 120.25 1r4i h VAL 564 Ca 0.00 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1r4i h VAL 564 Cb 0.00 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1r4i h VAL 564 CO 0.00 0.08 -0.41 0.15 0.02 0.00 0.00 177.57 177.41 1r4i h PHE 565 N 0.46 -1.06 -0.90 1.57 3.04 0.21 -2.90 116.94 117.36 1r4i h PHE 565 Ca 0.68 -0.03 0.25 0.00 3.98 0.00 0.00 57.97 62.86 1r4i h PHE 565 Cb 1.46 0.35 -0.15 0.00 2.56 0.00 0.00 35.95 40.17 1r4i h PHE 565 CO -0.01 -0.65 0.23 0.35 -2.02 0.00 0.00 178.31 176.21 1r4i h PHE 566 N -1.25 0.33 0.00 0.41 3.57 -0.17 0.93 116.94 120.76 1r4i h PHE 566 Ca -0.12 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1r4i h PHE 566 Cb 0.88 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1r4i h PHE 566 CO -0.00 -0.26 0.00 1.17 -2.23 0.00 0.00 178.31 176.99 1r4i n LYS 567 N -5.26 0.00 -0.55 1.11 4.81 -1.16 -1.33 118.16 115.78 1r4i n LYS 567 Ca 0.23 0.48 0.44 0.00 -0.87 0.00 0.00 58.31 58.59 1r4i n LYS 567 Cb 0.74 -1.33 0.73 0.00 0.02 0.00 0.00 35.03 35.19 1r4i n LYS 567 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1r4i h ARG 568 N 0.00 0.03 0.11 1.64 3.08 -1.27 -1.50 114.38 116.47 1r4i h ARG 568 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1r4i h ARG 568 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1r4i h ARG 568 CO 0.00 0.02 -0.05 0.00 -1.07 0.00 0.00 179.97 178.87 1r4i h ALA 569 N 1.35 -0.28 0.00 0.04 0.00 -0.77 -3.23 119.26 116.37 1r4i h ALA 569 Ca 0.87 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.74 1r4i h ALA 569 Cb 3.10 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 20.95 1r4i h ALA 569 CO -0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 179.25 178.73 1r4i h ALA 570 N -1.61 1.01 0.00 0.00 0.00 -0.75 -3.27 119.26 114.66 1r4i h ALA 570 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1r4i h ALA 570 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1r4i h ALA 570 CO 0.02 0.01 -0.18 1.49 0.00 0.00 0.00 179.25 180.59 1r4i h GLU 571 N 0.00 0.00 -0.57 0.00 4.81 -1.45 -3.33 114.58 114.04 1r4i h GLU 571 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1r4i h GLU 571 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1r4i h GLU 571 CO 0.00 0.68 0.00 0.41 -0.73 0.00 0.00 179.01 179.37 1r4i n GLY 572 N 1.63 0.65 0.90 1.92 0.00 -1.22 -4.93 105.19 104.15 1r4i n GLY 572 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 1r4i n GLY 572 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r4i n LYS 573 N -0.05 -0.06 -3.93 1.61 4.01 -1.23 -4.93 118.16 113.58 1r4i n LYS 573 Ca 0.00 0.06 -0.35 0.00 -0.51 0.00 0.00 58.31 57.51 1r4i n LYS 573 Cb 0.14 -0.08 -0.14 0.00 -0.51 0.00 0.00 35.03 34.45 1r4i n LYS 573 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1r4i s GLN 574 N -0.09 2.59 -1.06 1.97 -1.52 -1.26 -5.03 119.66 115.26 1r4i s GLN 574 Ca 0.01 -1.15 -0.26 0.00 -1.95 0.00 0.00 55.36 52.01 1r4i s GLN 574 Cb -0.00 -3.10 -0.20 0.00 -0.22 0.00 0.00 33.01 29.49 1r4i s GLN 574 CO 0.02 -0.53 2.13 -1.59 -0.25 0.00 0.00 175.29 175.07 1r4i s LYS 575 N 1.28 1.36 -0.01 2.91 -2.85 -1.26 -4.87 119.74 116.30 1r4i s LYS 575 Ca -0.03 -0.40 -0.30 0.00 -1.00 0.00 0.00 55.97 54.24 1r4i s LYS 575 Cb -0.19 -4.98 -0.05 0.00 -2.06 0.00 0.00 37.83 30.55 1r4i s LYS 575 CO -0.02 -5.23 1.35 0.71 0.10 0.00 0.00 175.35 172.25 1r4i s TYR 576 N 16.17 2.95 -0.20 1.78 2.02 -1.26 -4.99 117.35 133.83 1r4i s TYR 576 Ca 0.81 0.93 -0.05 0.00 -0.37 0.00 0.00 57.07 58.40 1r4i s TYR 576 Cb -0.06 -3.60 -0.02 0.00 -0.40 0.00 0.00 41.96 37.89 1r4i s TYR 576 CO 0.16 -2.14 -0.01 -0.51 -1.57 0.00 0.00 175.55 171.48 1r4i s LEU 577 N 2.34 3.18 0.76 -1.29 1.43 -1.26 -4.52 118.68 119.32 1r4i s LEU 577 Ca 0.62 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 53.35 1r4i s LEU 577 Cb -0.30 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.18 1r4i s LEU 577 CO 0.25 0.07 1.23 0.00 0.23 0.00 0.00 176.35 178.13 1r4i n ALA 579 N -2.92 4.44 -2.80 0.00 0.00 -1.26 -4.97 120.51 113.00 1r4i n ALA 579 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1r4i n ALA 579 Cb 0.50 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1r4i n ALA 579 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r4i n SER 580 N -1.46 0.00 -1.96 0.00 2.88 -1.26 -5.04 113.62 106.79 1r4i n SER 580 Ca 0.05 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.41 1r4i n SER 580 Cb 0.33 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.00 1r4i n SER 580 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1r4i n ARG 581 N 0.00 2.36 -0.62 -1.46 0.00 -1.26 -4.95 116.66 110.73 1r4i n ARG 581 Ca 0.00 -3.06 0.00 0.00 -0.00 0.00 0.00 57.85 54.79 1r4i n ARG 581 Cb 0.00 -2.10 0.00 0.00 -0.00 0.00 0.00 32.46 30.36 1r4i n ARG 581 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1r4i n ASN 582 N -1.01 -1.67 -0.63 2.89 3.02 -1.26 -4.73 115.26 111.87 1r4i n ASN 582 Ca 0.51 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 55.19 1r4i n ASN 582 Cb 1.50 -2.69 0.18 0.00 -0.61 0.00 0.00 39.78 38.16 1r4i n ASN 582 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1r4i n ASP 583 N -0.25 2.15 -2.38 6.41 5.75 -1.26 -4.90 116.55 122.07 1r4i n ASP 583 Ca 0.00 -1.60 -0.21 0.00 -0.01 0.00 0.00 54.79 52.97 1r4i n ASP 583 Cb 0.14 0.17 -0.08 0.00 -1.03 0.00 0.00 41.12 40.32 1r4i n ASP 583 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r4i n THR 585 N 3.91 0.23 -4.49 0.00 -2.24 -1.26 -4.87 114.28 105.56 1r4i n THR 585 Ca 0.35 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.75 1r4i n THR 585 Cb 0.02 -1.36 -0.13 0.00 -2.10 0.00 0.00 70.33 66.77 1r4i n THR 585 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1r4i s ILE 586 N 2.28 3.69 0.37 2.28 1.01 -1.26 -4.71 121.20 124.86 1r4i s ILE 586 Ca 0.89 -0.43 -0.16 0.00 0.00 0.00 0.00 60.65 60.95 1r4i s ILE 586 Cb -0.85 -2.60 0.06 0.00 0.01 0.00 0.00 42.46 39.07 1r4i s ILE 586 CO 0.51 0.50 0.83 1.51 0.00 0.00 0.00 174.94 178.29 1r4i s ASP 587 N 0.36 0.03 0.24 3.58 3.84 -1.26 -4.61 116.67 118.85 1r4i s ASP 587 Ca -0.06 -1.13 0.04 0.00 -0.00 0.00 0.00 52.55 51.41 1r4i s ASP 587 Cb -0.15 0.81 0.67 0.00 -1.38 0.00 0.00 42.92 42.87 1r4i s ASP 587 CO 0.04 -1.62 1.18 2.29 -0.00 0.00 0.00 175.17 177.05 1r4i n LYS 588 N -0.56 -0.06 0.12 2.11 2.85 -1.26 -0.69 118.16 120.67 1r4i n LYS 588 Ca -0.08 1.11 -0.22 0.00 -1.05 0.00 0.00 58.31 58.07 1r4i n LYS 588 Cb 0.60 -1.80 -0.15 0.00 -0.65 0.00 0.00 35.03 33.02 1r4i n LYS 588 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1r4i h PHE 589 N 0.00 0.81 0.00 5.58 0.04 -1.95 -3.41 116.94 118.00 1r4i h PHE 589 Ca 0.49 -0.59 -0.28 0.00 2.80 0.00 0.00 57.97 60.40 1r4i h PHE 589 Cb 1.10 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 39.16 1r4i h PHE 589 CO -0.31 1.53 -2.25 0.54 -0.60 0.00 0.00 178.31 177.22 1r4i n ARG 590 N -3.64 0.79 -0.34 1.51 1.74 -0.18 -4.61 116.66 111.93 1r4i n ARG 590 Ca -0.17 -0.05 0.26 0.00 -0.77 0.00 0.00 57.85 57.12 1r4i n ARG 590 Cb 1.08 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 31.43 1r4i n ARG 590 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1r4i n ARG 591 N -2.61 -0.00 0.02 5.56 1.85 0.14 0.23 116.66 121.85 1r4i n ARG 591 Ca -0.26 0.58 -0.17 0.00 -1.00 0.00 0.00 57.85 57.00 1r4i n ARG 591 Cb 1.01 -1.29 -0.07 0.00 -1.05 0.00 0.00 32.46 31.06 1r4i n ARG 591 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 1r4i h LYS 592 N 0.00 0.67 -1.71 2.89 2.10 -1.84 -3.33 116.57 115.35 1r4i h LYS 592 Ca 0.48 -0.64 0.50 0.00 -2.00 0.00 0.00 60.65 58.99 1r4i h LYS 592 Cb 1.83 0.16 -0.07 0.00 -0.90 0.00 0.00 32.23 33.25 1r4i h LYS 592 CO -0.07 1.24 1.25 -0.91 -2.00 0.00 0.00 179.45 178.96 1r4i h ASN 593 N 0.42 0.00 -1.50 7.07 4.21 0.27 -3.35 115.58 122.70 1r4i h ASN 593 Ca -0.08 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.24 1r4i h ASN 593 Cb 1.54 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 38.48 1r4i h ASN 593 CO 0.18 0.00 -0.54 0.00 -1.29 0.00 0.00 177.43 175.77 1r4i h PRO 595 N 7.45 -0.03 -0.74 0.00 0.13 -1.80 -2.18 132.00 134.84 1r4i h PRO 595 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1r4i h PRO 595 Cb 1.12 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 1r4i h PRO 595 CO 0.18 -0.02 -0.56 1.03 -0.23 0.00 0.00 178.00 178.41 1r4i h SER 596 N -0.03 -1.96 -0.22 1.44 0.87 -1.88 0.57 113.55 112.34 1r4i h SER 596 Ca 0.18 0.29 0.01 0.00 -1.23 0.00 0.00 61.79 61.03 1r4i h SER 596 Cb 0.30 0.85 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1r4i h SER 596 CO -0.39 -0.31 0.13 0.00 -0.53 0.00 0.00 176.83 175.73 1r4i h ARG 598 N 0.27 -0.87 -0.63 0.00 2.43 -0.43 -2.28 114.38 112.86 1r4i h ARG 598 Ca 0.09 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.40 1r4i h ARG 598 Cb -0.00 0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 29.64 1r4i h ARG 598 CO -0.04 -0.58 -0.46 1.25 -1.51 0.00 0.00 179.97 178.63 1r4i h LEU 599 N -0.91 -1.60 -2.17 3.80 5.85 0.18 0.14 115.31 120.60 1r4i h LEU 599 Ca -0.04 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1r4i h LEU 599 Cb 0.83 0.72 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 1r4i h LEU 599 CO -0.17 -0.33 -0.04 0.08 -0.34 0.00 0.00 178.44 177.64 1r4i h ARG 600 N -0.21 0.00 0.00 1.25 0.11 -1.35 0.24 114.38 114.42 1r4i h ARG 600 Ca 0.18 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.23 1r4i h ARG 600 Cb 0.56 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.63 1r4i h ARG 600 CO -0.72 0.04 -0.14 -0.22 0.10 0.00 0.00 179.97 179.03 1r4i h LYS 601 N 0.00 0.00 0.31 0.08 3.64 -0.13 0.12 116.57 120.60 1r4i h LYS 601 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1r4i h LYS 601 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1r4i h LYS 601 CO 0.01 0.14 -0.15 0.00 -2.27 0.00 0.00 179.45 177.17 1r4i h TYR 603 N -0.83 -0.53 -0.33 0.00 0.05 -1.44 -0.46 116.97 113.43 1r4i h TYR 603 Ca -0.04 0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.86 1r4i h TYR 603 Cb 0.32 0.31 -0.07 0.00 1.01 0.00 0.00 36.73 38.30 1r4i h TYR 603 CO 0.03 -0.30 -0.16 1.49 -1.05 0.00 0.00 178.16 178.17 1r4i h GLU 604 N -0.10 -0.11 -0.76 4.88 4.81 -1.04 0.13 114.58 122.39 1r4i h GLU 604 Ca 0.23 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1r4i h GLU 604 Cb 0.46 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1r4i h GLU 604 CO -0.55 -0.07 0.00 0.00 -0.73 0.00 0.00 179.01 177.66 1r4i n ALA 605 N -2.76 2.64 -1.03 2.92 0.00 0.35 -4.94 120.51 117.70 1r4i n ALA 605 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1r4i n ALA 605 Cb 0.25 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1r4i n ALA 605 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r4i n GLY 606 N 0.21 -3.72 3.63 0.00 0.00 0.03 -4.64 105.19 100.70 1r4i n GLY 606 Ca 0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 1r4i n GLY 606 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1r4i s MET 607 N -2.15 0.15 0.20 1.61 0.00 -1.22 -3.82 119.30 114.07 1r4i s MET 607 Ca 0.00 0.01 -0.22 0.00 0.00 0.00 0.00 55.69 55.48 1r4i s MET 607 Cb 0.00 0.07 0.07 0.00 0.00 0.00 0.00 34.83 34.98 1r4i s MET 607 CO 0.00 -0.05 1.02 -0.08 0.00 0.00 0.00 175.02 175.91 1r4i s THR 608 N -1.35 0.00 -0.54 10.11 -1.32 -0.06 -4.67 115.64 117.81 1r4i s THR 608 Ca 0.08 -0.61 0.15 0.00 -1.21 0.00 0.00 61.69 60.09 1r4i s THR 608 Cb -0.01 -2.89 -0.18 0.00 -1.51 0.00 0.00 72.50 67.91 1r4i s THR 608 CO -0.06 0.00 0.56 0.18 -2.21 0.00 0.00 174.62 173.09 1r4i n LEU 609 N -0.69 0.53 0.00 9.08 4.77 -1.26 -4.63 117.00 124.80 1r4i n LEU 609 Ca -0.03 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1r4i n LEU 609 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1r4i n LEU 609 CO 0.21 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.02