#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k7r s LYS 5 N 0.00 1.79 -0.14 0.38 1.02 0.30 -4.95 119.74 118.14 3k7r s LYS 5 Ca 0.00 -1.32 -0.00 0.00 0.02 0.00 0.00 55.97 54.67 3k7r s LYS 5 Cb 0.00 -2.04 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 3k7r s LYS 5 CO 0.00 0.44 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.16 3k7r s HIS 6 N -1.49 2.81 0.22 3.18 5.65 -1.26 -1.82 115.29 122.58 3k7r s HIS 6 Ca 0.21 -0.77 0.06 0.00 0.25 0.00 0.00 55.06 54.81 3k7r s HIS 6 Cb -0.09 -1.87 -0.05 0.00 -1.18 0.00 0.00 32.58 29.39 3k7r s HIS 6 CO 0.12 -0.30 -0.10 0.71 -0.65 0.00 0.00 174.74 174.52 3k7r s TYR 7 N 0.55 1.69 -0.20 3.88 2.02 -1.02 -1.47 117.35 122.79 3k7r s TYR 7 Ca -0.08 -0.68 -0.15 0.00 -0.37 0.00 0.00 57.07 55.78 3k7r s TYR 7 Cb -0.16 -0.87 0.06 0.00 -0.40 0.00 0.00 41.96 40.59 3k7r s TYR 7 CO 0.04 0.24 0.52 -1.14 -1.57 0.00 0.00 175.55 173.64 3k7r s GLN 8 N -3.71 0.57 0.00 -0.62 0.74 -0.85 -1.78 119.66 114.01 3k7r s GLN 8 Ca 0.24 0.81 0.01 0.00 0.05 0.00 0.00 55.36 56.48 3k7r s GLN 8 Cb 0.02 0.19 -0.00 0.00 1.10 0.00 0.00 33.01 34.31 3k7r s GLN 8 CO 0.07 -0.11 -0.04 -0.06 -0.55 0.00 0.00 175.29 174.61 3k7r s PHE 9 N 0.77 0.33 -0.37 1.67 0.08 -0.76 -1.88 117.98 117.82 3k7r s PHE 9 Ca -0.04 -0.11 -0.14 0.00 0.12 0.00 0.00 56.93 56.76 3k7r s PHE 9 Cb -0.05 -0.21 -0.00 0.00 -0.57 0.00 0.00 43.02 42.18 3k7r s PHE 9 CO -0.06 -0.02 0.28 1.21 -0.10 0.00 0.00 175.22 176.54 3k7r s ASN 10 N -0.24 6.10 -0.07 1.36 2.47 -0.71 -2.29 114.94 121.56 3k7r s ASN 10 Ca -0.00 -0.57 0.01 0.00 0.42 0.00 0.00 52.86 52.71 3k7r s ASN 10 Cb -0.02 -2.16 0.02 0.00 -1.45 0.00 0.00 41.25 37.64 3k7r s ASN 10 CO -0.00 -0.33 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.29 3k7r s VAL 11 N 1.76 0.77 -0.63 -5.21 1.01 -0.96 0.21 120.40 117.35 3k7r s VAL 11 Ca 0.07 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 3k7r s VAL 11 Cb -0.18 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.45 3k7r s VAL 11 CO 0.11 0.29 1.29 -0.69 0.00 0.00 0.00 175.10 176.10 3k7r s VAL 12 N 1.18 3.85 -0.12 2.92 1.01 0.08 -4.61 120.40 124.70 3k7r s VAL 12 Ca -0.06 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.62 3k7r s VAL 12 Cb -0.14 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 31.54 3k7r s VAL 12 CO -0.02 -1.46 -0.23 -0.04 0.00 0.00 0.00 175.10 173.36 3k7r s MET 13 N 5.40 3.04 -0.05 2.72 -1.94 -1.26 -4.40 119.30 122.80 3k7r s MET 13 Ca 0.43 -0.86 0.02 0.00 -1.71 0.00 0.00 55.69 53.57 3k7r s MET 13 Cb -0.08 -2.38 -0.05 0.00 2.01 0.00 0.00 34.83 34.33 3k7r s MET 13 CO 0.22 0.08 -0.01 2.41 -0.01 0.00 0.00 175.02 177.70 3k7r n THR 14 N 3.81 0.33 -4.60 2.05 -1.04 -1.26 -4.90 114.28 108.66 3k7r n THR 14 Ca -0.19 -0.17 -0.28 0.00 -2.04 0.00 0.00 64.05 61.37 3k7r n THR 14 Cb 0.52 -0.80 -0.08 0.00 -1.82 0.00 0.00 70.33 68.15 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 -1.35 0.25 -0.07 0.00 3.41 -1.26 -1.52 113.62 113.08 3k7r n SER 16 Ca -0.11 0.54 -0.14 0.00 -0.26 0.00 0.00 58.87 58.90 3k7r n SER 16 Cb 0.65 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 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 4.00 0.73 0.62 5.00 0.00 -1.97 -0.13 103.07 111.32 3k7r h GLY 17 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 47.33 46.49 3k7r h GLY 17 CO 0.00 0.76 -0.26 0.00 0.00 0.00 0.00 176.54 177.05 3k7r h SER 19 N -0.50 0.68 -0.89 0.00 4.64 -1.53 -2.49 113.55 113.47 3k7r h SER 19 Ca 0.01 -0.21 0.07 0.00 -0.47 0.00 0.00 61.79 61.19 3k7r h SER 19 Cb 0.50 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.34 3k7r h SER 19 CO -0.11 0.84 0.55 1.23 -0.87 0.00 0.00 176.83 178.48 3k7r h GLY 20 N 0.98 1.35 0.91 -0.77 0.00 -0.91 0.11 103.07 104.73 3k7r h GLY 20 Ca 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 3k7r h GLY 20 CO 0.04 0.26 0.09 0.00 0.00 0.00 0.00 176.54 176.94 3k7r h ALA 21 N 1.42 0.28 -0.74 3.60 0.00 -0.68 -1.36 119.26 121.79 3k7r h ALA 21 Ca 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3k7r h ALA 21 Cb 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3k7r h ALA 21 CO -0.18 -0.14 0.43 0.28 0.00 0.00 0.00 179.25 179.64 3k7r h VAL 22 N 0.21 1.22 -0.86 0.00 2.07 -1.31 -2.76 116.25 114.82 3k7r h VAL 22 Ca 0.07 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.15 3k7r h VAL 22 Cb 0.15 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 3k7r h VAL 22 CO -0.01 0.23 0.53 -1.13 0.02 0.00 0.00 177.57 177.21 3k7r h ASN 23 N 1.02 0.83 -0.18 0.57 -1.24 -0.40 -3.09 115.58 113.08 3k7r h ASN 23 Ca 0.26 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.27 3k7r h ASN 23 Cb -0.00 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 3k7r h ASN 23 CO -0.05 0.52 0.01 0.50 -1.29 0.00 0.00 177.43 177.13 3k7r h LYS 24 N 0.96 0.32 -0.37 6.67 3.64 -1.00 -0.91 116.57 125.88 3k7r h LYS 24 Ca 0.38 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 3k7r h LYS 24 Cb 0.18 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3k7r h LYS 24 CO -0.18 0.51 -0.12 -0.39 -2.27 0.00 0.00 179.45 177.00 3k7r h VAL 25 N 0.09 1.25 0.02 2.00 -1.51 -1.44 -2.55 116.25 114.10 3k7r h VAL 25 Ca 0.05 -1.11 -0.20 0.00 -1.23 0.00 0.00 66.70 64.21 3k7r h VAL 25 Cb 0.36 1.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.59 3k7r h VAL 25 CO 0.01 0.37 -0.96 -0.07 -1.23 0.00 0.00 177.57 175.69 3k7r h LEU 26 N 0.59 0.09 -1.48 4.19 3.38 -1.44 -3.05 115.31 117.59 3k7r h LEU 26 Ca 0.10 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3k7r h LEU 26 Cb 0.55 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3k7r h LEU 26 CO 0.03 0.99 -0.27 0.71 0.09 0.00 0.00 178.44 180.00 3k7r h THR 27 N 0.02 1.07 0.00 0.22 1.35 -0.94 -2.07 112.91 112.56 3k7r h THR 27 Ca -0.03 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3k7r h THR 27 Cb 1.67 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 3k7r h THR 27 CO 0.13 0.26 0.00 0.11 -0.25 0.00 0.00 175.52 175.77 3k7r h LYS 28 N 0.00 0.00 -0.02 4.72 1.57 -1.34 -3.13 116.57 118.37 3k7r h LYS 28 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k7r h LYS 28 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3k7r h LYS 28 CO 0.03 0.00 -0.28 1.28 -0.57 0.00 0.00 179.45 179.91 3k7r n LEU 29 N -2.38 2.02 -4.73 2.94 4.77 -0.78 -4.93 117.00 113.91 3k7r n LEU 29 Ca -0.01 -0.83 -0.34 0.00 -0.03 0.00 0.00 56.01 54.80 3k7r n LEU 29 Cb 0.07 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.24 3k7r n LEU 29 CO 0.13 0.37 0.79 -1.61 -1.33 0.00 0.00 177.39 175.73 3k7r s GLU 30 N -1.99 2.29 0.00 3.23 2.02 -1.19 -2.23 118.70 120.84 3k7r s GLU 30 Ca 0.17 1.70 0.16 0.00 0.02 0.00 0.00 54.97 57.02 3k7r s GLU 30 Cb 0.15 -1.86 0.79 0.00 0.10 0.00 0.00 34.13 33.32 3k7r s GLU 30 CO 0.41 -1.71 1.45 -2.30 0.02 0.00 0.00 175.26 173.13 3k7r n PRO 31 N -2.62 0.21 0.15 0.39 -0.02 -1.26 -4.86 135.00 126.99 3k7r n PRO 31 Ca 0.13 0.14 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 3k7r n PRO 31 Cb 0.50 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.40 3k7r n PRO 31 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3k7r h ASP 32 N 0.00 -0.29 -2.87 2.55 3.32 -1.84 -3.33 116.42 113.97 3k7r h ASP 32 Ca 0.00 -0.10 -0.56 0.00 0.02 0.00 0.00 57.03 56.38 3k7r h ASP 32 Cb 0.16 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 3k7r h ASP 32 CO 0.00 -0.07 0.95 -0.69 -1.72 0.00 0.00 179.24 177.71 3k7r s VAL 33 N -5.46 4.13 -0.33 -1.35 1.01 -1.08 -2.33 120.40 114.99 3k7r s VAL 33 Ca -0.15 1.36 0.22 0.00 0.00 0.00 0.00 61.98 63.42 3k7r s VAL 33 Cb 0.04 -3.91 -0.18 0.00 0.00 0.00 0.00 36.38 32.33 3k7r s VAL 33 CO 0.62 -0.16 0.83 -1.54 0.00 0.00 0.00 175.10 174.84 3k7r n SER 34 N 6.85 0.47 -3.66 3.32 3.41 0.56 -4.08 113.62 120.49 3k7r n SER 34 Ca 0.15 -0.05 -0.08 0.00 -0.26 0.00 0.00 58.87 58.63 3k7r n SER 34 Cb 0.45 1.16 -0.09 0.00 -0.26 0.00 0.00 64.21 65.47 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 -3.34 0.45 -0.00 4.33 2.20 -1.21 -5.03 119.74 117.13 3k7r s LYS 35 Ca -0.01 1.06 0.03 0.00 -0.36 0.00 0.00 55.97 56.69 3k7r s LYS 35 Cb 0.13 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 3k7r s LYS 35 CO 0.84 -0.20 -0.07 0.42 -0.36 0.00 0.00 175.35 175.98 3k7r s ILE 36 N 2.15 3.64 -0.46 5.43 1.01 -1.26 -1.28 121.20 130.41 3k7r s ILE 36 Ca -0.06 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.89 3k7r s ILE 36 Cb -0.10 -2.57 0.18 0.00 0.01 0.00 0.00 42.46 39.98 3k7r s ILE 36 CO -0.15 0.40 0.61 -0.62 0.00 0.00 0.00 174.94 175.19 3k7r s ASP 37 N -1.38 -0.78 -0.06 3.58 3.68 -0.94 -5.04 116.67 115.72 3k7r s ASP 37 Ca 0.17 -1.66 -0.11 0.00 2.13 0.00 0.00 52.55 53.08 3k7r s ASP 37 Cb -0.11 1.45 -0.05 0.00 -1.45 0.00 0.00 42.92 42.76 3k7r s ASP 37 CO 0.07 -0.12 0.27 -0.63 0.13 0.00 0.00 175.17 174.89 3k7r s ILE 38 N 1.07 5.27 -0.27 4.11 1.01 -1.26 -1.89 121.20 129.24 3k7r s ILE 38 Ca 0.25 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.44 3k7r s ILE 38 Cb -0.02 -3.55 0.07 0.00 0.01 0.00 0.00 42.46 38.96 3k7r s ILE 38 CO -0.07 0.59 -0.03 -0.55 0.00 0.00 0.00 174.94 174.88 3k7r s SER 39 N -1.01 4.18 0.14 3.58 0.15 0.81 -4.96 113.70 116.59 3k7r s SER 39 Ca 0.19 -1.45 -0.18 0.00 0.70 0.00 0.00 55.95 55.21 3k7r s SER 39 Cb -0.14 -1.32 -0.00 0.00 -1.71 0.00 0.00 66.02 62.85 3k7r s SER 39 CO 0.08 -0.27 1.75 0.25 1.20 0.00 0.00 173.24 176.25 3k7r h LEU 40 N 7.86 0.09 -0.79 3.45 6.46 -1.95 0.68 115.31 131.11 3k7r h LEU 40 Ca -0.15 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.59 3k7r h LEU 40 Cb 1.05 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 3k7r h LEU 40 CO 0.45 0.08 0.31 -0.33 -0.62 0.00 0.00 178.44 178.33 3k7r h GLU 41 N 0.20 1.18 0.00 1.25 3.07 -1.92 -2.62 114.58 115.73 3k7r h GLU 41 Ca 0.12 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3k7r h GLU 41 Cb 0.09 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3k7r h GLU 41 CO -0.13 0.95 -0.68 1.63 -1.40 0.00 0.00 179.01 179.39 3k7r n LYS 42 N -4.29 0.17 -3.43 2.33 5.02 -1.19 -4.95 118.16 111.83 3k7r n LYS 42 Ca 0.07 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.20 3k7r n LYS 42 Cb 0.19 -1.59 0.08 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.83 -6.83 -4.34 1.97 6.02 0.14 -4.98 117.38 107.53 3k7r n GLN 43 Ca 0.04 0.77 -0.25 0.00 -0.01 0.00 0.00 57.00 57.55 3k7r n GLN 43 Cb 0.40 -5.61 -0.13 0.00 1.02 0.00 0.00 30.24 25.92 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 -6.47 2.30 -0.15 1.08 1.43 -0.66 -2.27 118.68 113.92 3k7r s LEU 44 Ca 0.31 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3k7r s LEU 44 Cb -0.14 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 45.16 3k7r s LEU 44 CO 0.67 0.10 0.06 -0.69 0.23 0.00 0.00 176.35 176.72 3k7r s VAL 45 N -1.12 0.12 -0.25 -1.59 1.01 -0.97 -0.14 120.40 117.47 3k7r s VAL 45 Ca 0.08 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 3k7r s VAL 45 Cb -0.10 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3k7r s VAL 45 CO 0.05 -0.15 0.12 -1.81 0.00 0.00 0.00 175.10 173.30 3k7r s ASP 46 N 2.05 5.55 -0.18 3.32 1.11 -0.79 -1.83 116.67 125.90 3k7r s ASP 46 Ca 0.02 -0.09 -0.01 0.00 0.18 0.00 0.00 52.55 52.65 3k7r s ASP 46 Cb -0.15 -2.01 -0.00 0.00 1.07 0.00 0.00 42.92 41.83 3k7r s ASP 46 CO -0.08 -0.02 -0.12 -0.69 1.18 0.00 0.00 175.17 175.45 3k7r s VAL 47 N 1.52 2.85 -0.30 -1.27 1.01 -0.73 -2.21 120.40 121.26 3k7r s VAL 47 Ca 0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.25 3k7r s VAL 47 Cb -0.15 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3k7r s VAL 47 CO 0.06 0.49 0.16 -0.31 0.00 0.00 0.00 175.10 175.51 3k7r s TYR 48 N 1.03 3.18 0.15 5.22 2.02 -0.41 -2.44 117.35 126.10 3k7r s TYR 48 Ca -0.01 -0.37 -0.21 0.00 -0.37 0.00 0.00 57.07 56.11 3k7r s TYR 48 Cb -0.15 -2.37 0.06 0.00 -0.40 0.00 0.00 41.96 39.11 3k7r s TYR 48 CO -0.02 -0.38 0.55 -0.08 -1.57 0.00 0.00 175.55 174.05 3k7r s THR 49 N 1.66 0.02 -1.15 -0.71 -1.32 -0.75 -0.33 115.64 113.05 3k7r s THR 49 Ca 0.06 -0.18 0.18 0.00 -1.21 0.00 0.00 61.69 60.53 3k7r s THR 49 Cb -0.17 -1.07 0.68 0.00 -1.51 0.00 0.00 72.50 70.43 3k7r s THR 49 CO 0.07 -0.09 1.59 0.35 -2.21 0.00 0.00 174.62 174.34 3k7r n THR 50 N -0.34 1.72 -3.68 5.08 -2.24 -0.98 -0.54 114.28 113.30 3k7r n THR 50 Ca -0.16 -1.20 -0.33 0.00 -2.27 0.00 0.00 64.05 60.08 3k7r n THR 50 Cb 0.65 0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.76 4.31 0.35 3.22 1.43 -1.26 -5.01 118.68 119.96 3k7r s LEU 51 Ca 0.49 0.62 -0.28 0.00 -1.03 0.00 0.00 54.13 53.92 3k7r s LEU 51 Cb 0.31 -3.09 -0.10 0.00 0.03 0.00 0.00 46.19 43.34 3k7r s LEU 51 CO 0.24 0.13 1.30 -2.84 0.23 0.00 0.00 176.35 175.41 3k7r s PRO 52 N -2.29 4.26 0.35 1.29 0.02 -1.26 -4.87 135.00 132.51 3k7r s PRO 52 Ca 0.36 2.19 0.17 0.00 0.02 0.00 0.00 61.00 63.74 3k7r s PRO 52 Cb -0.13 -2.99 1.18 0.00 0.02 0.00 0.00 34.50 32.58 3k7r s PRO 52 CO 0.21 -0.26 1.63 -0.92 -0.33 0.00 0.00 177.00 177.33 3k7r h TYR 53 N 3.20 0.86 0.09 6.54 3.20 -1.99 -1.84 116.97 127.02 3k7r h TYR 53 Ca -0.49 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.41 3k7r h TYR 53 Cb 1.23 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.29 3k7r h TYR 53 CO 0.55 -0.31 -0.04 -0.44 -1.64 0.00 0.00 178.16 176.28 3k7r h ASP 54 N 0.18 -0.11 -0.13 -2.11 3.32 -1.99 -0.82 116.42 114.77 3k7r h ASP 54 Ca 0.78 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 57.57 3k7r h ASP 54 Cb 1.89 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 41.41 3k7r h ASP 54 CO -0.68 0.23 -0.42 0.15 -1.72 0.00 0.00 179.24 176.80 3k7r h PHE 55 N -0.45 -1.26 -0.18 4.55 3.57 -1.72 0.06 116.94 121.51 3k7r h PHE 55 Ca -0.01 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3k7r h PHE 55 Cb 0.38 0.57 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 3k7r h PHE 55 CO 0.03 -0.42 0.18 0.82 -2.23 0.00 0.00 178.31 176.70 3k7r h ILE 56 N -0.43 0.56 0.06 1.41 1.08 -1.55 -1.71 117.51 116.94 3k7r h ILE 56 Ca 0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 3k7r h ILE 56 Cb 0.52 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 3k7r h ILE 56 CO -0.35 0.00 -0.03 0.25 -0.69 0.00 0.00 178.15 177.33 3k7r h LEU 57 N 0.00 -0.07 -0.98 1.44 5.85 0.06 -3.07 115.31 118.55 3k7r h LEU 57 Ca 0.09 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.38 3k7r h LEU 57 Cb 0.44 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 3k7r h LEU 57 CO -0.00 0.44 0.64 -0.08 -0.34 0.00 0.00 178.44 179.10 3k7r h GLU 58 N -0.61 1.21 -0.18 1.25 4.57 -0.49 0.08 114.58 120.41 3k7r h GLU 58 Ca -0.01 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3k7r h GLU 58 Cb 0.52 -0.27 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 3k7r h GLU 58 CO 0.01 0.80 -0.13 0.87 -1.18 0.00 0.00 179.01 179.38 3k7r h LYS 59 N 1.25 -0.13 -0.01 1.92 1.79 -1.42 -0.28 116.57 119.68 3k7r h LYS 59 Ca 0.38 0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.76 3k7r h LYS 59 Cb -0.02 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3k7r h LYS 59 CO -0.12 -0.09 -0.48 0.82 -1.08 0.00 0.00 179.45 178.50 3k7r h ILE 60 N -0.14 1.35 -0.32 1.86 2.04 -1.39 -3.03 117.51 117.88 3k7r h ILE 60 Ca 0.11 -1.66 -0.09 0.00 1.00 0.00 0.00 64.86 64.21 3k7r h ILE 60 Cb 0.30 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3k7r h ILE 60 CO -0.26 0.48 -0.19 0.11 0.00 0.00 0.00 178.15 178.28 3k7r h LYS 61 N 0.02 0.58 0.00 2.37 1.57 -0.40 -3.10 116.57 117.62 3k7r h LYS 61 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3k7r h LYS 61 Cb 0.86 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3k7r h LYS 61 CO 0.06 0.74 0.00 1.63 -0.57 0.00 0.00 179.45 181.32 3k7r n LYS 62 N -4.14 0.34 0.00 3.15 4.76 -0.17 -1.53 118.16 120.57 3k7r n LYS 62 Ca 0.00 0.08 0.14 0.00 -2.87 0.00 0.00 58.31 55.66 3k7r n LYS 62 Cb 0.38 -1.50 0.57 0.00 -1.84 0.00 0.00 35.03 32.65 3k7r n LYS 62 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3k7r n THR 63 N -1.17 0.00 -1.04 -0.18 -2.24 -1.17 -4.94 114.28 103.54 3k7r n THR 63 Ca 0.10 -0.06 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 3k7r n THR 63 Cb 0.10 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.27 3k7r n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k7r n GLY 64 N 1.31 0.50 3.80 3.38 0.00 -0.58 -5.03 105.19 108.56 3k7r n GLY 64 Ca 0.13 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.07 4.07 -0.22 1.61 -0.14 -1.26 -5.04 119.74 117.70 3k7r s LYS 65 Ca 0.00 0.44 -0.32 0.00 -1.36 0.00 0.00 55.97 54.72 3k7r s LYS 65 Cb 0.00 -3.29 -0.09 0.00 -1.68 0.00 0.00 37.83 32.77 3k7r s LYS 65 CO 0.00 0.52 2.11 -1.91 -0.76 0.00 0.00 175.35 175.31 3k7r n GLU 66 N 2.38 1.73 -2.96 1.68 2.13 -1.26 -4.78 120.64 119.57 3k7r n GLU 66 Ca -0.12 0.53 -0.43 0.00 0.66 0.00 0.00 57.16 57.81 3k7r n GLU 66 Cb 0.52 -2.79 -0.05 0.00 0.27 0.00 0.00 31.44 29.39 3k7r n GLU 66 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3k7r s VAL 67 N 6.67 4.58 0.12 6.31 1.01 -1.26 -0.74 120.40 137.09 3k7r s VAL 67 Ca 1.01 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.87 3k7r s VAL 67 Cb -0.63 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 31.27 3k7r s VAL 67 CO 0.45 -0.95 1.73 0.03 0.00 0.00 0.00 175.10 176.36 3k7r h ARG 68 N 9.16 0.08 -2.92 2.72 -0.00 -0.60 -3.49 114.38 119.33 3k7r h ARG 68 Ca -0.26 -0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.23 3k7r h ARG 68 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 31.03 3k7r h ARG 68 CO 1.03 0.05 0.33 -1.54 0.00 0.00 0.00 179.97 179.84 3k7r s SER 69 N -5.25 -0.01 0.05 7.04 1.04 -1.11 -4.97 113.70 110.49 3k7r s SER 69 Ca -0.13 -1.04 -0.28 0.00 0.48 0.00 0.00 55.95 54.98 3k7r s SER 69 Cb 0.09 0.79 0.09 0.00 0.10 0.00 0.00 66.02 67.09 3k7r s SER 69 CO 0.68 -1.55 1.00 -0.83 0.98 0.00 0.00 173.24 173.52 3k7r s GLY 70 N -3.12 -0.34 -0.23 7.32 0.00 -1.26 -1.73 107.32 107.95 3k7r s GLY 70 Ca 0.16 0.63 -0.30 0.00 0.00 0.00 0.00 44.72 45.21 3k7r s GLY 70 CO 0.10 0.18 1.22 1.25 0.00 0.00 0.00 173.10 175.85 3k7r s LYS 71 N -3.04 0.26 0.16 2.90 2.20 -0.79 -4.98 119.74 116.46 3k7r s LYS 71 Ca 0.10 0.03 0.06 0.00 -0.36 0.00 0.00 55.97 55.80 3k7r s LYS 71 Cb -0.00 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 3k7r s LYS 71 CO -0.03 -0.09 0.08 -1.14 -0.36 0.00 0.00 175.35 173.81 3k7r s GLN 72 N -1.28 2.69 0.00 4.03 0.74 -1.26 -2.00 119.66 122.58 3k7r s GLN 72 Ca 0.06 -0.95 0.00 0.00 0.05 0.00 0.00 55.36 54.51 3k7r s GLN 72 Cb -0.01 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.57 3k7r s GLN 72 CO -0.04 0.48 0.30 1.28 -0.55 0.00 0.00 175.29 176.76