#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k7r n ILE 4 N 0.00 0.13 -4.23 3.84 5.41 -1.26 -4.78 119.36 118.47 3k7r n ILE 4 Ca 0.00 -0.02 -0.23 0.00 1.00 0.00 0.00 62.75 63.50 3k7r n ILE 4 Cb 0.00 -0.99 -0.07 0.00 -0.71 0.00 0.00 39.64 37.87 3k7r n ILE 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3k7r s LYS 5 N 1.75 2.39 -0.17 0.38 1.02 -0.12 -4.95 119.74 120.03 3k7r s LYS 5 Ca 0.90 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 55.49 3k7r s LYS 5 Cb -1.00 -2.21 0.03 0.00 -0.52 0.00 0.00 37.83 34.13 3k7r s LYS 5 CO 0.54 0.31 -0.12 -1.58 -0.92 0.00 0.00 175.35 173.58 3k7r s HIS 6 N -2.33 2.22 0.09 3.18 5.65 -1.26 -2.28 115.29 120.57 3k7r s HIS 6 Ca 0.33 -1.35 0.09 0.00 0.25 0.00 0.00 55.06 54.37 3k7r s HIS 6 Cb -0.06 -1.59 -0.04 0.00 -1.18 0.00 0.00 32.58 29.72 3k7r s HIS 6 CO 0.21 -0.69 -0.20 0.71 -0.65 0.00 0.00 174.74 174.12 3k7r s TYR 7 N 1.46 2.50 -0.07 3.88 2.02 -0.81 -4.47 117.35 121.86 3k7r s TYR 7 Ca 0.02 -0.28 -0.00 0.00 -0.37 0.00 0.00 57.07 56.43 3k7r s TYR 7 Cb -0.14 -1.37 0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3k7r s TYR 7 CO -0.09 0.33 -0.03 -1.14 -1.57 0.00 0.00 175.55 173.05 3k7r s GLN 8 N -1.90 0.87 0.03 -0.62 0.74 -1.06 -0.83 119.66 116.90 3k7r s GLN 8 Ca 0.16 -0.03 0.04 0.00 0.05 0.00 0.00 55.36 55.59 3k7r s GLN 8 Cb -0.10 -1.07 -0.03 0.00 1.10 0.00 0.00 33.01 32.90 3k7r s GLN 8 CO 0.08 -0.23 -0.08 -0.06 -0.55 0.00 0.00 175.29 174.44 3k7r s PHE 9 N 1.63 2.83 -0.60 1.67 0.08 0.30 -2.46 117.98 121.43 3k7r s PHE 9 Ca 0.01 -0.09 -0.10 0.00 0.12 0.00 0.00 56.93 56.87 3k7r s PHE 9 Cb -0.13 -1.56 0.15 0.00 -0.57 0.00 0.00 43.02 40.92 3k7r s PHE 9 CO -0.04 0.37 0.50 1.21 -0.10 0.00 0.00 175.22 177.15 3k7r s ASN 10 N -1.59 5.97 -0.08 1.36 2.47 -0.44 -0.87 114.94 121.76 3k7r s ASN 10 Ca 0.18 -2.26 0.02 0.00 0.42 0.00 0.00 52.86 51.22 3k7r s ASN 10 Cb -0.11 -2.07 -0.02 0.00 -1.45 0.00 0.00 41.25 37.60 3k7r s ASN 10 CO 0.09 -0.63 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.03 3k7r s VAL 11 N 0.85 3.24 -0.70 -5.21 1.01 0.21 -0.77 120.40 119.02 3k7r s VAL 11 Ca 0.10 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 3k7r s VAL 11 Cb -0.22 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 33.89 3k7r s VAL 11 CO -0.03 0.57 1.20 -0.69 0.00 0.00 0.00 175.10 176.15 3k7r s VAL 12 N -0.37 3.89 -0.12 2.92 1.01 0.33 -4.62 120.40 123.44 3k7r s VAL 12 Ca 0.04 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.36 3k7r s VAL 12 Cb -0.12 -4.84 0.01 0.00 0.00 0.00 0.00 36.38 31.42 3k7r s VAL 12 CO 0.02 -1.71 -0.20 -0.04 0.00 0.00 0.00 175.10 173.18 3k7r s MET 13 N 5.28 2.75 -0.24 2.72 -1.94 -1.26 -4.38 119.30 122.22 3k7r s MET 13 Ca 0.33 -0.76 -0.11 0.00 -1.71 0.00 0.00 55.69 53.44 3k7r s MET 13 Cb -0.10 -2.21 -0.11 0.00 2.01 0.00 0.00 34.83 34.43 3k7r s MET 13 CO 0.15 0.02 -0.31 2.41 -0.01 0.00 0.00 175.02 177.28 3k7r n THR 14 N 3.97 1.34 -4.29 2.05 -1.04 -1.26 -4.92 114.28 110.13 3k7r n THR 14 Ca -0.20 -0.35 -0.27 0.00 -2.04 0.00 0.00 64.05 61.19 3k7r n THR 14 Cb 0.52 -1.80 -0.06 0.00 -1.82 0.00 0.00 70.33 67.16 3k7r n THR 14 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k7r h SER 16 N 1.31 0.00 -0.28 0.00 4.64 -2.00 -0.73 113.55 116.50 3k7r h SER 16 Ca -0.42 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.73 3k7r h SER 16 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3k7r h SER 16 CO 0.70 0.00 -0.47 1.23 -0.87 0.00 0.00 176.83 177.42 3k7r h GLY 17 N 1.14 0.93 0.96 -0.77 0.00 -1.98 -1.61 103.07 101.75 3k7r h GLY 17 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.31 3k7r h GLY 17 CO 0.00 0.91 0.02 0.00 0.00 0.00 0.00 176.54 177.48 3k7r h SER 19 N 0.02 0.85 -0.93 0.00 4.64 -1.61 -2.72 113.55 113.79 3k7r h SER 19 Ca 0.01 -0.28 0.02 0.00 -0.47 0.00 0.00 61.79 61.07 3k7r h SER 19 Cb 0.03 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 61.84 3k7r h SER 19 CO -0.00 1.00 0.62 1.23 -0.87 0.00 0.00 176.83 178.81 3k7r h GLY 20 N 0.96 1.33 1.03 -0.77 0.00 -1.19 -1.55 103.07 102.88 3k7r h GLY 20 Ca 0.12 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3k7r h GLY 20 CO 0.05 0.45 0.04 0.00 0.00 0.00 0.00 176.54 177.08 3k7r h ALA 21 N 1.43 0.73 -0.21 3.60 0.00 -0.84 0.18 119.26 124.15 3k7r h ALA 21 Ca 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3k7r h ALA 21 Cb -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3k7r h ALA 21 CO -0.09 0.52 0.05 0.28 0.00 0.00 0.00 179.25 180.01 3k7r h VAL 22 N 0.82 1.21 -0.27 0.00 2.07 -1.41 -2.91 116.25 115.78 3k7r h VAL 22 Ca 0.16 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 67.05 3k7r h VAL 22 Cb 0.49 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 3k7r h VAL 22 CO 0.02 0.22 -0.18 -1.13 0.02 0.00 0.00 177.57 176.52 3k7r h ASN 23 N 0.15 -0.58 -0.44 0.57 -1.24 -1.12 -2.71 115.58 110.21 3k7r h ASN 23 Ca 0.06 0.12 0.09 0.00 0.71 0.00 0.00 56.30 57.29 3k7r h ASN 23 Cb 0.29 0.30 -0.09 0.00 0.73 0.00 0.00 38.32 39.54 3k7r h ASN 23 CO 0.00 -0.21 -0.22 0.50 -1.29 0.00 0.00 177.43 176.21 3k7r h LYS 24 N -0.16 -0.12 -0.06 6.67 3.64 -0.91 0.12 116.57 125.76 3k7r h LYS 24 Ca 0.15 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 3k7r h LYS 24 Cb 0.38 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3k7r h LYS 24 CO -0.36 -0.08 -0.39 -0.39 -2.27 0.00 0.00 179.45 175.96 3k7r h VAL 25 N -0.13 1.30 -0.23 2.00 -1.51 -1.40 -2.83 116.25 113.45 3k7r h VAL 25 Ca 0.21 -1.43 -0.20 0.00 -1.23 0.00 0.00 66.70 64.05 3k7r h VAL 25 Cb 0.45 1.69 0.01 0.00 -2.13 0.00 0.00 31.29 31.31 3k7r h VAL 25 CO -0.52 0.42 -0.66 -0.07 -1.23 0.00 0.00 177.57 175.51 3k7r h LEU 26 N 0.11 0.97 -2.33 4.19 3.38 -1.05 -3.14 115.31 117.45 3k7r h LEU 26 Ca 0.01 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.43 3k7r h LEU 26 Cb 0.75 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3k7r h LEU 26 CO 0.06 1.38 0.08 0.74 0.09 0.00 0.00 178.44 180.79 3k7r h THR 27 N 0.62 0.55 0.00 0.22 2.02 -0.55 -0.38 112.91 115.39 3k7r h THR 27 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3k7r h THR 27 Cb 1.28 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3k7r h THR 27 CO 0.14 0.00 0.00 0.11 0.37 0.00 0.00 175.52 176.14 3k7r h LYS 28 N 0.00 0.00 -0.29 6.66 1.57 -1.45 -3.00 116.57 120.06 3k7r h LYS 28 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3k7r h LYS 28 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3k7r h LYS 28 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3k7r n LEU 29 N -2.90 2.81 -4.77 2.94 4.77 -0.15 -4.87 117.00 114.83 3k7r n LEU 29 Ca 0.01 -1.18 -0.39 0.00 -0.03 0.00 0.00 56.01 54.42 3k7r n LEU 29 Cb 0.32 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3k7r n LEU 29 CO 0.27 0.59 0.93 -1.61 -1.33 0.00 0.00 177.39 176.23 3k7r s GLU 30 N -1.63 3.89 -0.04 3.23 2.02 -1.14 -0.19 118.70 124.84 3k7r s GLU 30 Ca 0.36 2.06 0.12 0.00 0.02 0.00 0.00 54.97 57.53 3k7r s GLU 30 Cb 0.21 -2.66 0.43 0.00 0.10 0.00 0.00 34.13 32.20 3k7r s GLU 30 CO 0.30 -0.53 1.31 -0.35 0.02 0.00 0.00 175.26 176.01 3k7r n PRO 31 N -0.05 2.42 0.11 0.39 -0.04 -1.26 -4.83 135.00 131.74 3k7r n PRO 31 Ca 0.05 -1.70 -0.02 0.00 -0.04 0.00 0.00 63.50 61.78 3k7r n PRO 31 Cb 0.45 -1.53 0.20 0.00 -0.04 0.00 0.00 33.50 32.58 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 2.57 0.19 -3.52 3.54 3.32 -1.08 -3.32 116.42 118.10 3k7r h ASP 32 Ca 0.00 -0.09 -0.61 0.00 0.02 0.00 0.00 57.03 56.35 3k7r h ASP 32 Cb 0.83 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.21 3k7r h ASP 32 CO 0.09 0.66 0.37 -0.69 -1.72 0.00 0.00 179.24 177.95 3k7r s VAL 33 N -3.94 4.74 -0.12 -1.35 1.01 0.73 -1.81 120.40 119.66 3k7r s VAL 33 Ca -0.04 0.89 0.21 0.00 0.00 0.00 0.00 61.98 63.04 3k7r s VAL 33 Cb 0.13 -4.20 -0.22 0.00 0.00 0.00 0.00 36.38 32.09 3k7r s VAL 33 CO 0.77 -0.42 0.61 -1.54 0.00 0.00 0.00 175.10 174.52 3k7r n SER 34 N 6.40 0.34 -3.73 3.32 3.41 0.73 -4.15 113.62 119.93 3k7r n SER 34 Ca 0.03 0.14 -0.12 0.00 -0.26 0.00 0.00 58.87 58.66 3k7r n SER 34 Cb 0.48 1.21 -0.12 0.00 -0.26 0.00 0.00 64.21 65.52 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 -3.25 0.31 -0.07 4.33 2.20 -1.13 -5.02 119.74 117.11 3k7r s LYS 35 Ca -0.06 0.56 0.04 0.00 -0.36 0.00 0.00 55.97 56.15 3k7r s LYS 35 Cb 0.11 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 3k7r s LYS 35 CO 0.86 -0.12 -0.18 0.42 -0.36 0.00 0.00 175.35 175.97 3k7r s ILE 36 N 0.88 1.57 -0.14 5.43 1.01 -1.26 -1.08 121.20 127.62 3k7r s ILE 36 Ca -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 3k7r s ILE 36 Cb -0.07 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.08 3k7r s ILE 36 CO -0.06 0.45 0.08 -0.62 0.00 0.00 0.00 174.94 174.79 3k7r s ASP 37 N 0.33 2.10 -0.04 3.58 2.15 -0.67 -5.03 116.67 119.09 3k7r s ASP 37 Ca -0.12 -0.47 0.04 0.00 0.43 0.00 0.00 52.55 52.43 3k7r s ASP 37 Cb -0.15 -0.22 -0.00 0.00 -0.30 0.00 0.00 42.92 42.25 3k7r s ASP 37 CO 0.05 -0.33 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.91 3k7r s ILE 38 N 2.15 1.46 -0.20 4.11 1.01 -1.26 -0.80 121.20 127.67 3k7r s ILE 38 Ca 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3k7r s ILE 38 Cb -0.15 -1.25 0.03 0.00 0.01 0.00 0.00 42.46 41.10 3k7r s ILE 38 CO -0.08 0.42 -0.16 -0.55 0.00 0.00 0.00 174.94 174.58 3k7r s SER 39 N 0.02 3.38 0.08 3.58 0.15 -0.79 -5.00 113.70 115.13 3k7r s SER 39 Ca -0.04 -0.82 -0.26 0.00 0.70 0.00 0.00 55.95 55.53 3k7r s SER 39 Cb -0.12 -1.41 -0.16 0.00 -1.71 0.00 0.00 66.02 62.63 3k7r s SER 39 CO 0.02 -0.07 1.68 0.25 1.20 0.00 0.00 173.24 176.32 3k7r h LEU 40 N 7.93 -0.22 -0.43 3.45 6.46 -1.95 -1.41 115.31 129.14 3k7r h LEU 40 Ca -0.36 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.34 3k7r h LEU 40 Cb 1.11 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.08 3k7r h LEU 40 CO 0.56 -0.13 0.07 -0.33 -0.62 0.00 0.00 178.44 177.99 3k7r h GLU 41 N -0.28 0.70 -0.01 1.25 3.07 -1.94 -1.04 114.58 116.33 3k7r h GLU 41 Ca -0.03 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 3k7r h GLU 41 Cb 0.22 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3k7r h GLU 41 CO 0.04 0.73 -0.08 1.63 -1.40 0.00 0.00 179.01 179.94 3k7r n LYS 42 N -4.50 0.93 -2.23 2.33 5.02 -1.24 -4.94 118.16 113.53 3k7r n LYS 42 Ca -0.00 -0.35 -0.19 0.00 -2.02 0.00 0.00 58.31 55.76 3k7r n LYS 42 Cb 0.24 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.73 -1.46 -4.13 1.97 6.02 -0.39 -4.95 117.38 113.69 3k7r n GLN 43 Ca 0.17 0.94 -0.30 0.00 -0.01 0.00 0.00 57.00 57.80 3k7r n GLN 43 Cb 0.27 -5.44 -0.08 0.00 1.02 0.00 0.00 30.24 26.00 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 -5.20 3.46 -0.05 1.08 1.43 -0.85 -0.62 118.68 117.93 3k7r s LEU 44 Ca 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3k7r s LEU 44 Cb 0.00 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3k7r s LEU 44 CO 0.00 0.18 -0.03 -0.69 0.23 0.00 0.00 176.35 176.04 3k7r s VAL 45 N -1.30 0.50 -0.07 -1.59 1.01 -0.05 -1.88 120.40 117.03 3k7r s VAL 45 Ca 0.26 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.23 3k7r s VAL 45 Cb -0.12 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3k7r s VAL 45 CO 0.18 0.24 -0.25 -1.81 0.00 0.00 0.00 175.10 173.46 3k7r s ASP 46 N 1.25 3.06 -0.03 3.32 1.01 0.02 -0.53 116.67 124.77 3k7r s ASP 46 Ca -0.06 -0.52 0.02 0.00 0.71 0.00 0.00 52.55 52.70 3k7r s ASP 46 Cb -0.14 -1.00 0.01 0.00 1.01 0.00 0.00 42.92 42.81 3k7r s ASP 46 CO -0.02 0.22 -0.06 -0.69 0.21 0.00 0.00 175.17 174.83 3k7r s VAL 47 N -0.02 0.61 -0.26 -1.27 1.01 -0.01 -1.67 120.40 118.80 3k7r s VAL 47 Ca -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 3k7r s VAL 47 Cb -0.15 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.68 3k7r s VAL 47 CO 0.05 0.21 -0.04 -0.31 0.00 0.00 0.00 175.10 175.02 3k7r s TYR 48 N 0.41 3.10 0.20 5.22 1.51 -0.24 -1.93 117.35 125.63 3k7r s TYR 48 Ca -0.06 -1.53 -0.12 0.00 -1.01 0.00 0.00 57.07 54.35 3k7r s TYR 48 Cb -0.10 -2.09 0.00 0.00 -0.11 0.00 0.00 41.96 39.67 3k7r s TYR 48 CO 0.00 -0.72 0.40 -0.08 -1.11 0.00 0.00 175.55 174.04 3k7r s THR 49 N 1.33 0.03 -0.88 -0.71 -1.32 -0.97 -0.19 115.64 112.94 3k7r s THR 49 Ca -0.00 -1.27 0.26 0.00 -1.21 0.00 0.00 61.69 59.46 3k7r s THR 49 Cb -0.17 -1.92 0.08 0.00 -1.51 0.00 0.00 72.50 68.98 3k7r s THR 49 CO -0.03 -0.15 1.51 0.35 -2.21 0.00 0.00 174.62 174.10 3k7r n THR 50 N -0.30 0.13 -2.50 5.08 -2.24 -0.75 -0.94 114.28 112.76 3k7r n THR 50 Ca -0.06 -0.09 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 3k7r n THR 50 Cb 0.63 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 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 -3.43 3.62 0.36 3.22 1.43 -1.26 -4.90 118.68 117.71 3k7r s LEU 51 Ca 0.10 1.29 -0.28 0.00 -1.03 0.00 0.00 54.13 54.21 3k7r s LEU 51 Cb 0.16 -4.23 -0.10 0.00 0.03 0.00 0.00 46.19 42.06 3k7r s LEU 51 CO 0.67 -0.57 1.28 -2.84 0.23 0.00 0.00 176.35 175.11 3k7r s PRO 52 N -4.30 4.23 0.24 1.29 0.02 -1.26 -4.93 135.00 130.29 3k7r s PRO 52 Ca 0.54 2.13 -0.14 0.00 0.02 0.00 0.00 61.00 63.55 3k7r s PRO 52 Cb -0.10 -2.95 0.30 0.00 0.02 0.00 0.00 34.50 31.77 3k7r s PRO 52 CO 0.38 -0.26 1.57 -0.92 -0.33 0.00 0.00 177.00 177.43 3k7r h TYR 53 N 3.13 -0.75 -0.78 6.54 3.20 -1.99 -1.46 116.97 124.85 3k7r h TYR 53 Ca -0.49 0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.47 3k7r h TYR 53 Cb 1.23 0.46 -0.04 0.00 1.54 0.00 0.00 36.73 39.93 3k7r h TYR 53 CO 0.55 -0.39 0.51 -0.44 -1.64 0.00 0.00 178.16 176.75 3k7r h ASP 54 N -0.03 0.91 -0.29 -2.11 3.32 -1.99 0.31 116.42 116.53 3k7r h ASP 54 Ca 0.37 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 3k7r h ASP 54 Cb 0.62 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3k7r h ASP 54 CO -0.91 0.66 0.06 0.15 -1.72 0.00 0.00 179.24 177.48 3k7r h PHE 55 N 1.07 0.58 0.07 4.55 3.57 -1.66 -2.80 116.94 122.31 3k7r h PHE 55 Ca 0.29 -0.05 -0.30 0.00 3.53 0.00 0.00 57.97 61.44 3k7r h PHE 55 Cb -0.11 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 3k7r h PHE 55 CO 0.00 0.53 -1.58 0.82 -2.23 0.00 0.00 178.31 175.84 3k7r h ILE 56 N 0.55 1.05 -0.03 1.41 1.08 -0.90 -3.05 117.51 117.64 3k7r h ILE 56 Ca 0.12 -2.78 0.03 0.00 -0.39 0.00 0.00 64.86 61.84 3k7r h ILE 56 Cb 0.26 2.63 -0.04 0.00 -3.07 0.00 0.00 36.82 36.60 3k7r h ILE 56 CO 0.00 0.74 -0.18 0.25 -0.69 0.00 0.00 178.15 178.28 3k7r h LEU 57 N 0.04 -0.53 -0.36 1.44 5.85 -0.41 -2.93 115.31 118.41 3k7r h LEU 57 Ca -0.25 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3k7r h LEU 57 Cb 1.99 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 43.23 3k7r h LEU 57 CO 0.12 -0.24 0.22 1.05 -0.34 0.00 0.00 178.44 179.26 3k7r h GLU 58 N -0.28 0.49 -0.95 1.25 4.11 -1.61 -2.38 114.58 115.21 3k7r h GLU 58 Ca 0.06 -0.04 0.14 0.00 0.07 0.00 0.00 59.36 59.59 3k7r h GLU 58 Cb 0.36 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 3k7r h GLU 58 CO -0.19 0.36 0.60 0.87 0.07 0.00 0.00 179.01 180.72 3k7r h LYS 59 N 0.48 0.81 0.09 1.06 1.79 -1.47 0.36 116.57 119.69 3k7r h LYS 59 Ca 0.13 -0.05 -0.29 0.00 -2.18 0.00 0.00 60.65 58.26 3k7r h LYS 59 Cb -0.01 -0.18 0.03 0.00 -1.58 0.00 0.00 32.23 30.49 3k7r h LYS 59 CO -0.03 0.54 -1.20 0.82 -1.08 0.00 0.00 179.45 178.50 3k7r h ILE 60 N 0.83 1.29 -0.10 1.86 2.04 -1.36 -3.22 117.51 118.86 3k7r h ILE 60 Ca 0.48 -2.42 -0.10 0.00 1.00 0.00 0.00 64.86 63.81 3k7r h ILE 60 Cb 0.63 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 3k7r h ILE 60 CO -0.25 0.74 -0.41 0.11 0.00 0.00 0.00 178.15 178.35 3k7r h LYS 61 N 0.30 0.22 0.00 2.37 1.57 -0.87 -2.56 116.57 117.60 3k7r h LYS 61 Ca -0.17 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3k7r h LYS 61 Cb 1.86 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.17 3k7r h LYS 61 CO 0.23 0.59 0.42 0.87 -0.57 0.00 0.00 179.45 180.99 3k7r h LYS 62 N 0.18 0.00 0.00 3.15 1.57 -0.95 0.63 116.57 121.15 3k7r h LYS 62 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3k7r h LYS 62 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3k7r h LYS 62 CO 0.06 0.00 -0.35 1.79 -0.57 0.00 0.00 179.45 180.38 3k7r h THR 63 N 0.00 0.00 0.00 -0.16 1.35 -1.60 -3.47 112.91 109.03 3k7r h THR 63 Ca 0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3k7r h THR 63 Cb 0.83 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3k7r h THR 63 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3k7r n GLY 64 N 1.25 0.77 3.75 5.82 0.00 0.22 -5.04 105.19 111.95 3k7r n GLY 64 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.42 4.63 0.12 1.61 -0.14 -1.26 -4.99 119.74 119.28 3k7r s LYS 65 Ca 0.00 1.27 -0.31 0.00 -1.36 0.00 0.00 55.97 55.57 3k7r s LYS 65 Cb 0.00 -3.34 -0.09 0.00 -1.68 0.00 0.00 37.83 32.72 3k7r s LYS 65 CO 0.00 0.35 1.64 -2.00 -0.76 0.00 0.00 175.35 174.58 3k7r s GLU 66 N -0.40 4.20 -0.46 1.68 2.12 -1.26 -4.64 118.70 119.94 3k7r s GLU 66 Ca 0.41 2.38 -0.18 0.00 0.36 0.00 0.00 54.97 57.94 3k7r s GLU 66 Cb -0.23 -3.41 0.04 0.00 0.26 0.00 0.00 34.13 30.80 3k7r s GLU 66 CO 0.27 -0.69 0.50 0.08 -0.54 0.00 0.00 175.26 174.88 3k7r s VAL 67 N 2.01 5.03 0.07 3.70 1.01 -1.26 -0.51 120.40 130.45 3k7r s VAL 67 Ca 0.73 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 3k7r s VAL 67 Cb -0.42 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 31.71 3k7r s VAL 67 CO 0.32 -0.58 1.45 0.03 0.00 0.00 0.00 175.10 176.33 3k7r h ARG 68 N 8.82 0.42 -2.77 2.72 3.08 -1.33 -3.48 114.38 121.84 3k7r h ARG 68 Ca -0.27 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 3k7r h ARG 68 Cb 1.10 -0.02 -0.14 0.00 0.08 0.00 0.00 29.97 31.00 3k7r h ARG 68 CO 0.87 0.68 0.22 -1.54 -1.07 0.00 0.00 179.97 179.12 3k7r s SER 69 N -6.04 -0.58 0.35 7.04 1.04 -1.23 -5.01 113.70 109.27 3k7r s SER 69 Ca -0.14 0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.48 3k7r s SER 69 Cb 0.07 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 3k7r s SER 69 CO 0.75 -0.88 0.18 -0.83 0.98 0.00 0.00 173.24 173.43 3k7r s GLY 70 N -2.42 2.34 0.00 7.32 0.00 -1.26 -1.33 107.32 111.97 3k7r s GLY 70 Ca -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.07 3k7r s GLY 70 CO -0.08 -1.66 0.00 0.58 0.00 0.00 0.00 173.10 171.94 3k7r n LYS 71 N -0.72 -1.06 0.00 2.90 2.85 -1.03 -4.98 118.16 116.12 3k7r n LYS 71 Ca -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3k7r n LYS 71 Cb 0.64 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.02 3k7r n LYS 71 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29