#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k7r s GLU 3 N 0.00 4.19 -0.25 0.00 -1.05 -1.26 -4.94 118.70 115.39 3k7r s GLU 3 Ca 0.00 1.03 -0.20 0.00 -0.15 0.00 0.00 54.97 55.65 3k7r s GLU 3 Cb 0.00 -2.24 -0.02 0.00 -0.44 0.00 0.00 34.13 31.43 3k7r s GLU 3 CO 0.00 0.01 0.61 0.42 0.95 0.00 0.00 175.26 177.25 3k7r s ILE 4 N -2.13 5.00 0.05 1.83 1.01 -1.26 -4.17 121.20 121.53 3k7r s ILE 4 Ca 0.60 1.09 -0.00 0.00 0.00 0.00 0.00 60.65 62.34 3k7r s ILE 4 Cb -0.09 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3k7r s ILE 4 CO 0.14 0.05 0.21 -0.54 0.00 0.00 0.00 174.94 174.80 3k7r s LYS 5 N 2.39 3.44 -0.23 2.79 1.02 0.20 -4.84 119.74 124.52 3k7r s LYS 5 Ca 0.26 -0.42 -0.08 0.00 0.02 0.00 0.00 55.97 55.75 3k7r s LYS 5 Cb -0.16 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 3k7r s LYS 5 CO 0.09 0.61 0.08 -1.58 -0.92 0.00 0.00 175.35 173.63 3k7r s HIS 6 N -1.49 3.16 0.31 3.18 5.65 -1.26 -1.98 115.29 122.86 3k7r s HIS 6 Ca 0.34 -0.16 0.10 0.00 0.25 0.00 0.00 55.06 55.60 3k7r s HIS 6 Cb -0.13 -2.19 -0.05 0.00 -1.18 0.00 0.00 32.58 29.03 3k7r s HIS 6 CO 0.27 -0.13 -0.07 0.71 -0.65 0.00 0.00 174.74 174.87 3k7r s TYR 7 N 1.14 2.48 -0.18 3.88 2.02 -0.36 -1.89 117.35 124.44 3k7r s TYR 7 Ca 0.05 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 3k7r s TYR 7 Cb -0.14 -1.26 0.06 0.00 -0.40 0.00 0.00 41.96 40.21 3k7r s TYR 7 CO 0.04 0.59 0.44 -1.14 -1.57 0.00 0.00 175.55 173.91 3k7r s GLN 8 N -3.63 0.45 0.10 -0.62 0.74 -0.84 -1.24 119.66 114.63 3k7r s GLN 8 Ca 0.32 0.78 0.10 0.00 0.05 0.00 0.00 55.36 56.61 3k7r s GLN 8 Cb -0.03 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 3k7r s GLN 8 CO 0.18 -0.13 -0.26 -0.06 -0.55 0.00 0.00 175.29 174.47 3k7r s PHE 9 N 1.09 2.25 -0.58 1.67 0.08 0.37 -1.83 117.98 121.03 3k7r s PHE 9 Ca -0.07 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.38 3k7r s PHE 9 Cb -0.07 -1.26 0.07 0.00 -0.57 0.00 0.00 43.02 41.20 3k7r s PHE 9 CO -0.10 0.26 0.80 1.21 -0.10 0.00 0.00 175.22 177.30 3k7r s ASN 10 N -1.79 6.22 -0.20 1.36 2.47 -0.54 -1.09 114.94 121.36 3k7r s ASN 10 Ca 0.12 -0.98 -0.02 0.00 0.42 0.00 0.00 52.86 52.40 3k7r s ASN 10 Cb -0.10 -2.36 -0.00 0.00 -1.45 0.00 0.00 41.25 37.34 3k7r s ASN 10 CO 0.05 -1.18 -0.09 -0.69 -3.72 0.00 0.00 177.10 171.47 3k7r s VAL 11 N 3.31 3.06 -0.87 -5.21 1.01 -0.71 0.06 120.40 121.06 3k7r s VAL 11 Ca 0.19 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 3k7r s VAL 11 Cb -0.19 -2.36 -0.12 0.00 0.00 0.00 0.00 36.38 33.72 3k7r s VAL 11 CO 0.11 0.46 2.23 -0.69 0.00 0.00 0.00 175.10 177.21 3k7r s VAL 12 N 1.28 3.17 -0.19 2.92 1.01 -0.91 -4.56 120.40 123.12 3k7r s VAL 12 Ca 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3k7r s VAL 12 Cb -0.14 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 3k7r s VAL 12 CO -0.04 -0.34 -0.06 -0.04 0.00 0.00 0.00 175.10 174.62 3k7r s MET 13 N 8.19 3.44 -0.14 2.72 -1.94 -1.26 -4.45 119.30 125.86 3k7r s MET 13 Ca 0.84 -0.61 0.03 0.00 -1.71 0.00 0.00 55.69 54.24 3k7r s MET 13 Cb -0.10 -2.92 -0.11 0.00 2.01 0.00 0.00 34.83 33.71 3k7r s MET 13 CO 0.06 -0.03 -0.09 2.41 -0.01 0.00 0.00 175.02 177.37 3k7r n THR 14 N 4.28 0.86 -4.15 2.05 -1.04 -1.26 -4.92 114.28 110.10 3k7r n THR 14 Ca -0.18 -0.37 -0.07 0.00 -2.04 0.00 0.00 64.05 61.38 3k7r n THR 14 Cb 0.52 -0.95 -0.02 0.00 -1.82 0.00 0.00 70.33 68.05 3k7r n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k7r n SER 16 N -1.84 0.69 0.07 0.00 3.41 -1.26 -2.35 113.62 112.34 3k7r n SER 16 Ca -0.02 0.57 -0.13 0.00 -0.26 0.00 0.00 58.87 59.03 3k7r n SER 16 Cb 0.18 -0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 63.29 3k7r n SER 16 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3k7r h GLY 17 N 4.54 -0.16 0.01 5.00 0.00 -1.98 -1.35 103.07 109.13 3k7r h GLY 17 Ca 0.00 0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.51 3k7r h GLY 17 CO 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 176.54 176.45 3k7r h SER 19 N 0.09 0.00 -0.41 0.00 4.64 -1.56 -2.95 113.55 113.36 3k7r h SER 19 Ca 0.29 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.49 3k7r h SER 19 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3k7r h SER 19 CO -0.50 0.50 -0.21 1.23 -0.87 0.00 0.00 176.83 176.98 3k7r h GLY 20 N 2.90 0.95 1.09 -0.77 0.00 -0.49 -0.06 103.07 106.69 3k7r h GLY 20 Ca -0.00 -0.86 0.02 0.00 0.00 0.00 0.00 47.33 46.48 3k7r h GLY 20 CO 0.06 0.78 0.59 0.00 0.00 0.00 0.00 176.54 177.98 3k7r h ALA 21 N 0.82 1.38 -0.07 3.60 0.00 -0.61 0.02 119.26 124.40 3k7r h ALA 21 Ca 0.09 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3k7r h ALA 21 Cb 0.78 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3k7r h ALA 21 CO 0.06 0.56 -0.23 0.28 0.00 0.00 0.00 179.25 179.93 3k7r h VAL 22 N 1.19 1.43 -0.63 0.00 2.07 -1.35 -2.73 116.25 116.22 3k7r h VAL 22 Ca 0.33 -1.60 0.13 0.00 0.82 0.00 0.00 66.70 66.38 3k7r h VAL 22 Cb -0.10 2.28 -0.11 0.00 -1.52 0.00 0.00 31.29 31.84 3k7r h VAL 22 CO -0.08 0.45 -0.01 -1.13 0.02 0.00 0.00 177.57 176.83 3k7r h ASN 23 N -0.22 -0.30 -0.17 0.57 -1.24 -0.73 -2.69 115.58 110.81 3k7r h ASN 23 Ca -0.01 0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 3k7r h ASN 23 Cb 0.85 0.29 -0.01 0.00 0.73 0.00 0.00 38.32 40.18 3k7r h ASN 23 CO 0.05 -0.13 0.09 0.50 -1.29 0.00 0.00 177.43 176.65 3k7r h LYS 24 N 0.11 0.24 -0.23 6.67 3.64 -0.96 -0.30 116.57 125.74 3k7r h LYS 24 Ca 0.33 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3k7r h LYS 24 Cb 0.54 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3k7r h LYS 24 CO -0.55 0.24 -0.07 -0.39 -2.27 0.00 0.00 179.45 176.41 3k7r h VAL 25 N 0.17 1.18 0.00 2.00 -1.51 -1.32 -2.48 116.25 114.29 3k7r h VAL 25 Ca 0.06 -0.77 -0.17 0.00 -1.23 0.00 0.00 66.70 64.59 3k7r h VAL 25 Cb 0.08 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 3k7r h VAL 25 CO -0.01 0.25 -0.83 -0.07 -1.23 0.00 0.00 177.57 175.68 3k7r h LEU 26 N 0.34 0.00 -0.92 4.19 3.38 -1.27 -3.19 115.31 117.84 3k7r h LEU 26 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3k7r h LEU 26 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3k7r h LEU 26 CO 0.02 0.83 -0.36 0.71 0.09 0.00 0.00 178.44 179.73 3k7r h THR 27 N 0.00 0.84 0.00 0.22 1.35 -0.63 -1.91 112.91 112.77 3k7r h THR 27 Ca -0.01 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3k7r h THR 27 Cb 1.57 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 3k7r h THR 27 CO 0.11 0.35 0.00 0.29 -0.25 0.00 0.00 175.52 176.02 3k7r n LYS 28 N -3.50 0.06 -0.15 4.72 5.02 -0.97 -2.97 118.16 120.36 3k7r n LYS 28 Ca -0.00 0.38 0.09 0.00 -2.02 0.00 0.00 58.31 56.76 3k7r n LYS 28 Cb 0.51 -1.64 0.17 0.00 -0.02 0.00 0.00 35.03 34.05 3k7r n LYS 28 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3k7r n LEU 29 N -1.75 3.02 -4.78 -0.35 4.77 -0.72 -4.95 117.00 112.24 3k7r n LEU 29 Ca 0.02 -1.52 -0.35 0.00 -0.03 0.00 0.00 56.01 54.13 3k7r n LEU 29 Cb 0.13 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3k7r n LEU 29 CO 0.12 0.67 0.77 -1.61 -1.33 0.00 0.00 177.39 176.00 3k7r s GLU 30 N -1.24 3.33 0.00 3.23 2.02 -1.16 -1.51 118.70 123.38 3k7r s GLU 30 Ca 0.30 1.55 0.22 0.00 0.02 0.00 0.00 54.97 57.05 3k7r s GLU 30 Cb 0.17 -2.01 0.97 0.00 0.10 0.00 0.00 34.13 33.36 3k7r s GLU 30 CO 0.24 -0.85 1.67 -0.35 0.02 0.00 0.00 175.26 175.98 3k7r n PRO 31 N -1.43 1.45 -0.14 0.39 -0.04 -1.26 -4.84 135.00 129.13 3k7r n PRO 31 Ca 0.11 -0.67 -0.08 0.00 -0.04 0.00 0.00 63.50 62.82 3k7r n PRO 31 Cb 0.51 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 3k7r n PRO 31 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3k7r h ASP 32 N 1.41 0.53 -2.80 3.54 3.32 -1.69 -3.18 116.42 117.55 3k7r h ASP 32 Ca 0.00 -0.09 -0.57 0.00 0.02 0.00 0.00 57.03 56.39 3k7r h ASP 32 Cb 0.31 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3k7r h ASP 32 CO 0.00 0.47 1.14 -0.69 -1.72 0.00 0.00 179.24 178.44 3k7r s VAL 33 N -5.86 3.70 -0.80 -1.35 1.01 -0.57 -2.29 120.40 114.24 3k7r s VAL 33 Ca -0.13 0.77 0.22 0.00 0.00 0.00 0.00 61.98 62.84 3k7r s VAL 33 Cb 0.11 -3.75 -0.22 0.00 0.00 0.00 0.00 36.38 32.51 3k7r s VAL 33 CO 0.74 -0.35 0.87 -1.54 0.00 0.00 0.00 175.10 174.82 3k7r n SER 34 N 8.69 0.76 -3.65 3.32 3.41 0.39 -4.23 113.62 122.30 3k7r n SER 34 Ca 0.19 -0.71 -0.13 0.00 -0.26 0.00 0.00 58.87 57.96 3k7r n SER 34 Cb 0.46 1.11 -0.08 0.00 -0.26 0.00 0.00 64.21 65.44 3k7r n SER 34 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3k7r s LYS 35 N -3.11 0.74 -0.06 4.33 2.20 -1.16 -5.02 119.74 117.67 3k7r s LYS 35 Ca 0.05 0.92 0.01 0.00 -0.36 0.00 0.00 55.97 56.59 3k7r s LYS 35 Cb 0.16 0.34 0.02 0.00 -1.51 0.00 0.00 37.83 36.83 3k7r s LYS 35 CO 0.86 -0.10 -0.06 0.42 -0.36 0.00 0.00 175.35 176.11 3k7r s ILE 36 N 0.49 0.70 -0.06 5.43 1.01 -1.26 -1.20 121.20 126.30 3k7r s ILE 36 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.48 3k7r s ILE 36 Cb -0.05 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.72 3k7r s ILE 36 CO -0.01 0.27 -0.18 -1.81 0.00 0.00 0.00 174.94 173.21 3k7r s ASP 37 N 1.04 2.29 0.03 3.58 1.11 0.11 -5.00 116.67 119.82 3k7r s ASP 37 Ca -0.09 -0.39 0.04 0.00 0.18 0.00 0.00 52.55 52.30 3k7r s ASP 37 Cb -0.14 -0.85 -0.02 0.00 1.07 0.00 0.00 42.92 42.98 3k7r s ASP 37 CO -0.00 0.12 -0.13 -0.63 1.18 0.00 0.00 175.17 175.71 3k7r s ILE 38 N 0.27 1.02 -0.29 0.77 1.01 -1.26 0.14 121.20 122.85 3k7r s ILE 38 Ca -0.10 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 3k7r s ILE 38 Cb -0.14 -0.91 0.10 0.00 0.01 0.00 0.00 42.46 41.51 3k7r s ILE 38 CO 0.04 0.06 0.10 -0.55 0.00 0.00 0.00 174.94 174.59 3k7r s SER 39 N -0.90 3.79 0.47 3.58 0.15 -0.16 -4.97 113.70 115.65 3k7r s SER 39 Ca 0.02 -1.46 0.12 0.00 0.70 0.00 0.00 55.95 55.32 3k7r s SER 39 Cb -0.07 -0.70 1.07 0.00 -1.71 0.00 0.00 66.02 64.62 3k7r s SER 39 CO 0.01 -0.41 2.11 0.25 1.20 0.00 0.00 173.24 176.39 3k7r h LEU 40 N 8.19 0.23 0.62 3.45 5.85 -1.94 0.48 115.31 132.19 3k7r h LEU 40 Ca -0.16 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3k7r h LEU 40 Cb 1.02 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 42.00 3k7r h LEU 40 CO 0.45 0.17 -0.30 -0.33 -0.34 0.00 0.00 178.44 178.09 3k7r h GLU 41 N 0.27 -0.80 0.00 1.25 3.07 -1.93 -3.12 114.58 113.32 3k7r h GLU 41 Ca 0.07 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3k7r h GLU 41 Cb -0.03 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3k7r h GLU 41 CO -0.02 -0.53 0.00 1.63 -1.40 0.00 0.00 179.01 178.69 3k7r n LYS 42 N -4.90 0.18 -3.15 2.33 5.02 -1.18 -4.94 118.16 111.51 3k7r n LYS 42 Ca -0.10 0.35 -0.15 0.00 -2.02 0.00 0.00 58.31 56.39 3k7r n LYS 42 Cb 0.33 -1.80 0.06 0.00 -0.02 0.00 0.00 35.03 33.60 3k7r n LYS 42 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3k7r n GLN 43 N -2.12 -5.18 -4.52 1.97 6.02 0.17 -4.99 117.38 108.72 3k7r n GLN 43 Ca 0.03 0.59 -0.23 0.00 -0.01 0.00 0.00 57.00 57.38 3k7r n GLN 43 Cb 0.26 -4.86 -0.14 0.00 1.02 0.00 0.00 30.24 26.52 3k7r n GLN 43 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3k7r s LEU 44 N -5.25 2.14 -0.19 1.08 1.43 -0.96 -1.73 118.68 115.20 3k7r s LEU 44 Ca 0.24 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3k7r s LEU 44 Cb -0.10 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.35 3k7r s LEU 44 CO 0.51 0.11 -0.13 -0.69 0.23 0.00 0.00 176.35 176.38 3k7r s VAL 45 N -0.74 2.74 -0.22 -1.59 1.01 -0.25 -0.99 120.40 120.36 3k7r s VAL 45 Ca 0.04 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3k7r s VAL 45 Cb -0.08 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3k7r s VAL 45 CO 0.01 0.49 0.06 -1.81 0.00 0.00 0.00 175.10 173.85 3k7r s ASP 46 N 1.20 5.26 -0.07 3.32 -0.00 0.36 -0.48 116.67 126.27 3k7r s ASP 46 Ca 0.02 -0.10 0.04 0.00 -0.00 0.00 0.00 52.55 52.51 3k7r s ASP 46 Cb -0.14 -1.92 -0.01 0.00 -0.00 0.00 0.00 42.92 40.84 3k7r s ASP 46 CO -0.05 0.06 -0.20 -0.69 -0.00 0.00 0.00 175.17 174.28 3k7r s VAL 47 N 1.08 2.47 -0.23 -1.27 1.01 -0.37 -0.71 120.40 122.37 3k7r s VAL 47 Ca 0.04 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 3k7r s VAL 47 Cb -0.14 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.32 3k7r s VAL 47 CO 0.03 0.56 -0.11 -0.31 0.00 0.00 0.00 175.10 175.27 3k7r s TYR 48 N -0.13 3.01 0.14 5.22 1.51 -0.34 -1.22 117.35 125.55 3k7r s TYR 48 Ca -0.03 -1.68 -0.24 0.00 -1.01 0.00 0.00 57.07 54.10 3k7r s TYR 48 Cb -0.14 -2.00 0.07 0.00 -0.11 0.00 0.00 41.96 39.78 3k7r s TYR 48 CO 0.04 -0.77 0.62 -0.08 -1.11 0.00 0.00 175.55 174.25 3k7r s THR 49 N 1.28 0.00 -0.97 -0.71 -1.32 -0.84 -0.46 115.64 112.62 3k7r s THR 49 Ca 0.00 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.74 3k7r s THR 49 Cb -0.16 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.89 3k7r s THR 49 CO -0.07 0.00 1.51 0.35 -2.21 0.00 0.00 174.62 174.21 3k7r n THR 50 N -0.33 0.03 -2.50 5.08 -2.24 -0.97 0.61 114.28 113.97 3k7r n THR 50 Ca -0.17 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 3k7r n THR 50 Cb 0.65 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 3k7r n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k7r s LEU 51 N -3.10 3.81 0.64 3.22 1.43 -1.26 -4.90 118.68 118.51 3k7r s LEU 51 Ca 0.11 1.91 -0.18 0.00 -1.03 0.00 0.00 54.13 54.94 3k7r s LEU 51 Cb 0.17 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.82 3k7r s LEU 51 CO 0.67 -0.81 1.27 -0.81 0.23 0.00 0.00 176.35 176.90 3k7r n PRO 52 N -1.08 1.15 -0.17 1.29 -0.04 -1.26 -4.90 135.00 130.00 3k7r n PRO 52 Ca 0.09 0.45 -0.03 0.00 -0.04 0.00 0.00 63.50 63.97 3k7r n PRO 52 Cb 0.53 -2.51 0.07 0.00 -0.04 0.00 0.00 33.50 31.54 3k7r n PRO 52 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3k7r h TYR 53 N 0.60 0.33 -0.12 0.54 3.20 -1.99 -2.96 116.97 116.58 3k7r h TYR 53 Ca -0.51 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.22 3k7r h TYR 53 Cb 1.34 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 3k7r h TYR 53 CO 0.41 0.11 -0.64 -0.44 -1.64 0.00 0.00 178.16 175.96 3k7r h ASP 54 N 0.37 0.51 -0.53 -2.11 5.19 -2.00 -2.41 116.42 115.45 3k7r h ASP 54 Ca 0.25 -0.30 0.06 0.00 -0.62 0.00 0.00 57.03 56.41 3k7r h ASP 54 Cb 0.26 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 39.57 3k7r h ASP 54 CO -0.25 1.02 0.24 0.15 -3.12 0.00 0.00 179.24 177.28 3k7r h PHE 55 N 0.32 0.44 -0.11 4.55 3.57 -1.93 -2.46 116.94 121.32 3k7r h PHE 55 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3k7r h PHE 55 Cb 1.19 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 3k7r h PHE 55 CO 0.04 0.19 0.05 0.82 -2.23 0.00 0.00 178.31 177.18 3k7r h ILE 56 N 0.47 1.14 -0.60 1.41 1.08 -1.34 -2.04 117.51 117.63 3k7r h ILE 56 Ca 0.24 -0.42 0.09 0.00 -0.39 0.00 0.00 64.86 64.38 3k7r h ILE 56 Cb 0.20 1.22 -0.11 0.00 -3.07 0.00 0.00 36.82 35.06 3k7r h ILE 56 CO -0.20 0.13 -0.43 0.25 -0.69 0.00 0.00 178.15 177.21 3k7r h LEU 57 N 0.03 -1.48 -0.46 1.44 5.85 -1.24 -0.13 115.31 119.32 3k7r h LEU 57 Ca 0.04 0.25 -0.17 0.00 0.84 0.00 0.00 57.88 58.83 3k7r h LEU 57 Cb 0.16 0.68 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3k7r h LEU 57 CO -0.00 -0.33 -0.76 -0.33 -0.34 0.00 0.00 178.44 176.68 3k7r h GLU 58 N -0.21 0.14 -0.86 1.25 5.08 -1.36 -0.50 114.58 118.12 3k7r h GLU 58 Ca 0.19 -0.13 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 3k7r h GLU 58 Cb 0.56 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 3k7r h GLU 58 CO -0.70 0.83 0.56 0.87 -1.00 0.00 0.00 179.01 179.57 3k7r h LYS 59 N 0.09 0.72 -0.11 2.33 1.79 -0.79 0.11 116.57 120.70 3k7r h LYS 59 Ca -0.02 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.36 3k7r h LYS 59 Cb 1.33 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3k7r h LYS 59 CO 0.11 0.47 -0.12 0.82 -1.08 0.00 0.00 179.45 179.66 3k7r h ILE 60 N 0.74 1.36 -0.28 1.86 2.04 -0.13 -3.30 117.51 119.80 3k7r h ILE 60 Ca 0.42 -1.28 -0.07 0.00 1.00 0.00 0.00 64.86 64.92 3k7r h ILE 60 Cb 0.58 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3k7r h ILE 60 CO -0.18 0.37 -0.13 0.11 0.00 0.00 0.00 178.15 178.31 3k7r h LYS 61 N -0.13 0.47 0.00 2.37 1.57 -0.56 -1.32 116.57 118.97 3k7r h LYS 61 Ca 0.02 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3k7r h LYS 61 Cb 0.64 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3k7r h LYS 61 CO 0.03 0.60 0.35 0.87 -0.57 0.00 0.00 179.45 180.73 3k7r h LYS 62 N 0.43 0.00 0.00 3.15 1.79 -0.89 0.16 116.57 121.22 3k7r h LYS 62 Ca 0.08 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.50 3k7r h LYS 62 Cb 0.50 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 3k7r h LYS 62 CO 0.03 0.00 -0.68 1.79 -1.08 0.00 0.00 179.45 179.51 3k7r h THR 63 N 0.00 0.25 0.00 -0.16 1.35 -1.37 -3.48 112.91 109.50 3k7r h THR 63 Ca 0.00 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3k7r h THR 63 Cb 0.70 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3k7r h THR 63 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 3k7r n GLY 64 N 1.20 0.77 3.79 5.82 0.00 0.56 -5.06 105.19 112.28 3k7r n GLY 64 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3k7r n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k7r s LYS 65 N -0.98 4.43 -0.04 1.61 -0.14 -1.26 -5.01 119.74 118.34 3k7r s LYS 65 Ca 0.00 1.06 -0.30 0.00 -1.36 0.00 0.00 55.97 55.37 3k7r s LYS 65 Cb 0.00 -3.02 -0.03 0.00 -1.68 0.00 0.00 37.83 33.11 3k7r s LYS 65 CO 0.00 0.45 1.06 -2.00 -0.76 0.00 0.00 175.35 174.09 3k7r s GLU 66 N -1.66 4.45 -0.19 1.68 2.12 -1.26 -4.68 118.70 119.16 3k7r s GLU 66 Ca 0.41 1.50 -0.09 0.00 0.36 0.00 0.00 54.97 57.15 3k7r s GLU 66 Cb -0.19 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 3k7r s GLU 66 CO 0.23 -0.25 0.11 0.08 -0.54 0.00 0.00 175.26 174.89 3k7r s VAL 67 N 1.62 5.20 -0.05 3.70 1.01 -1.26 -2.14 120.40 128.48 3k7r s VAL 67 Ca 0.52 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 3k7r s VAL 67 Cb -0.22 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3k7r s VAL 67 CO 0.23 0.45 -0.10 0.54 0.00 0.00 0.00 175.10 176.22 3k7r n ARG 68 N 3.48 0.16 -4.09 2.72 1.74 0.11 -5.02 116.66 115.76 3k7r n ARG 68 Ca -0.16 0.08 -0.24 0.00 -0.77 0.00 0.00 57.85 56.75 3k7r n ARG 68 Cb 0.52 -0.80 -0.07 0.00 -1.02 0.00 0.00 32.46 31.09 3k7r n ARG 68 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3k7r s SER 69 N -4.57 4.47 -0.30 0.55 1.04 -1.23 -4.97 113.70 108.70 3k7r s SER 69 Ca -0.09 -1.06 -0.14 0.00 0.48 0.00 0.00 55.95 55.14 3k7r s SER 69 Cb 0.01 -0.47 0.17 0.00 0.10 0.00 0.00 66.02 65.84 3k7r s SER 69 CO 0.13 -0.56 1.02 -0.83 0.98 0.00 0.00 173.24 173.98 3k7r s GLY 70 N -3.93 -0.26 0.27 7.32 0.00 -1.26 -1.47 107.32 107.99 3k7r s GLY 70 Ca 0.41 2.91 0.08 0.00 0.00 0.00 0.00 44.72 48.12 3k7r s GLY 70 CO 0.23 3.53 0.16 -1.59 0.00 0.00 0.00 173.10 175.43 3k7r s LYS 71 N 2.67 2.76 -0.08 2.90 -2.85 -0.76 -5.00 119.74 119.38 3k7r s LYS 71 Ca -0.00 -1.17 -0.16 0.00 -1.00 0.00 0.00 55.97 53.64 3k7r s LYS 71 Cb -0.08 -2.46 -0.05 0.00 -2.06 0.00 0.00 37.83 33.18 3k7r s LYS 71 CO -0.15 0.35 0.43 -1.14 0.10 0.00 0.00 175.35 174.95 3k7r s GLN 72 N -3.82 4.18 0.00 1.78 0.74 -1.26 -1.98 119.66 119.30 3k7r s GLN 72 Ca 0.33 0.40 0.31 0.00 0.05 0.00 0.00 55.36 56.46 3k7r s GLN 72 Cb -0.07 -3.36 1.79 0.00 1.10 0.00 0.00 33.01 32.47 3k7r s GLN 72 CO 0.24 0.36 2.16 1.28 -0.55 0.00 0.00 175.29 178.79