#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 -0.02 -0.07 0.00 2.12 -1.26 -5.12 118.70 114.36 3k7r s GLU 3 Ca 0.00 0.20 -0.29 0.00 0.36 0.00 0.00 54.97 55.23 3k7r s GLU 3 Cb 0.00 -0.22 -0.06 0.00 0.26 0.00 0.00 34.13 34.11 3k7r s GLU 3 CO 0.00 -0.15 1.83 0.42 -0.54 0.00 0.00 175.26 176.82 3k7r s ILE 4 N 1.00 3.32 0.20 -3.70 1.01 -1.26 -4.29 121.20 117.48 3k7r s ILE 4 Ca -0.08 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.00 3k7r s ILE 4 Cb -0.12 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 3k7r s ILE 4 CO -0.03 -0.07 0.17 -0.54 0.00 0.00 0.00 174.94 174.47 3k7r s LYS 5 N 4.58 2.93 -0.24 2.79 1.02 -0.01 -4.89 119.74 125.92 3k7r s LYS 5 Ca 0.82 -0.94 -0.03 0.00 0.02 0.00 0.00 55.97 55.84 3k7r s LYS 5 Cb -0.35 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 3k7r s LYS 5 CO 0.35 0.45 -0.05 -1.58 -0.92 0.00 0.00 175.35 173.60 3k7r s HIS 6 N -1.91 3.02 0.02 3.18 5.65 -1.26 -1.61 115.29 122.38 3k7r s HIS 6 Ca 0.32 -1.27 0.05 0.00 0.25 0.00 0.00 55.06 54.40 3k7r s HIS 6 Cb -0.09 -2.09 -0.03 0.00 -1.18 0.00 0.00 32.58 29.19 3k7r s HIS 6 CO 0.24 -0.65 -0.10 0.71 -0.65 0.00 0.00 174.74 174.29 3k7r s TYR 7 N 1.40 2.78 -0.02 3.88 2.02 0.30 -0.40 117.35 127.31 3k7r s TYR 7 Ca 0.03 -0.11 0.05 0.00 -0.37 0.00 0.00 57.07 56.67 3k7r s TYR 7 Cb -0.16 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 3k7r s TYR 7 CO -0.04 0.34 -0.18 -1.14 -1.57 0.00 0.00 175.55 172.96 3k7r s GLN 8 N -1.50 1.55 0.01 -0.62 0.74 -0.51 -0.36 119.66 118.98 3k7r s GLN 8 Ca 0.17 -0.65 0.05 0.00 0.05 0.00 0.00 55.36 54.98 3k7r s GLN 8 Cb -0.11 -1.46 -0.02 0.00 1.10 0.00 0.00 33.01 32.52 3k7r s GLN 8 CO 0.08 0.37 -0.16 -0.06 -0.55 0.00 0.00 175.29 174.96 3k7r s PHE 9 N -0.34 1.42 -0.47 1.67 0.08 0.58 -0.85 117.98 120.07 3k7r s PHE 9 Ca 0.05 -0.31 -0.18 0.00 0.12 0.00 0.00 56.93 56.61 3k7r s PHE 9 Cb -0.08 -0.88 0.05 0.00 -0.57 0.00 0.00 43.02 41.54 3k7r s PHE 9 CO -0.00 0.02 0.52 1.21 -0.10 0.00 0.00 175.22 176.86 3k7r s ASN 10 N -0.74 6.20 -0.05 1.36 3.04 0.22 -1.27 114.94 123.69 3k7r s ASN 10 Ca 0.05 -0.94 0.06 0.00 0.04 0.00 0.00 52.86 52.07 3k7r s ASN 10 Cb -0.07 -2.25 -0.01 0.00 -1.54 0.00 0.00 41.25 37.38 3k7r s ASN 10 CO 0.00 -0.75 -0.23 -0.69 -3.04 0.00 0.00 177.10 172.39 3k7r s VAL 11 N 2.26 2.23 -0.87 -5.21 1.01 0.17 -0.86 120.40 119.12 3k7r s VAL 11 Ca 0.12 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 3k7r s VAL 11 Cb -0.20 -1.82 0.07 0.00 0.00 0.00 0.00 36.38 34.44 3k7r s VAL 11 CO 0.11 0.57 1.25 -0.69 0.00 0.00 0.00 175.10 176.34 3k7r s VAL 12 N -0.28 4.14 -0.33 2.92 1.01 0.45 -4.53 120.40 123.78 3k7r s VAL 12 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3k7r s VAL 12 Cb -0.13 -4.90 0.03 0.00 0.00 0.00 0.00 36.38 31.39 3k7r s VAL 12 CO 0.03 -1.73 0.11 -0.04 0.00 0.00 0.00 175.10 173.46 3k7r s MET 13 N 4.44 2.76 0.02 2.72 -1.94 -1.26 -4.12 119.30 121.92 3k7r s MET 13 Ca 0.36 -1.09 0.08 0.00 -1.71 0.00 0.00 55.69 53.33 3k7r s MET 13 Cb -0.06 -3.47 -0.23 0.00 2.01 0.00 0.00 34.83 33.08 3k7r s MET 13 CO -0.01 -0.62 0.91 1.15 -0.01 0.00 0.00 175.02 176.45 3k7r h THR 14 N 6.06 1.20 -4.70 2.05 2.02 -1.93 -3.47 112.91 114.14 3k7r h THR 14 Ca -0.25 -2.97 -0.42 0.00 0.77 0.00 0.00 66.41 63.53 3k7r h THR 14 Cb 1.10 2.62 -0.12 0.00 -1.74 0.00 0.00 68.15 70.01 3k7r h THR 14 CO 0.61 0.72 -0.41 0.00 0.37 0.00 0.00 175.52 176.81 3k7r h SER 16 N 2.13 0.00 0.07 0.00 4.64 -1.98 -0.81 113.55 117.60 3k7r h SER 16 Ca -0.26 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.07 3k7r h SER 16 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3k7r h SER 16 CO 0.37 0.00 -0.10 1.23 -0.87 0.00 0.00 176.83 177.46 3k7r h GLY 17 N 3.32 -0.18 0.49 -0.77 0.00 -1.97 -0.61 103.07 103.35 3k7r h GLY 17 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.47 3k7r h GLY 17 CO 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 176.54 176.21 3k7r h SER 19 N -0.36 0.26 0.56 0.00 4.64 -1.27 -1.81 113.55 115.58 3k7r h SER 19 Ca 0.06 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3k7r h SER 19 Cb 0.43 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3k7r h SER 19 CO -0.20 0.43 -0.52 1.23 -0.87 0.00 0.00 176.83 176.91 3k7r h GLY 20 N 0.80 0.00 1.30 -0.77 0.00 -0.60 -0.85 103.07 102.95 3k7r h GLY 20 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 3k7r h GLY 20 CO 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.53 3k7r h ALA 21 N 1.48 1.02 -0.17 3.60 0.00 0.03 -0.60 119.26 124.61 3k7r h ALA 21 Ca -0.01 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3k7r h ALA 21 Cb 0.94 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3k7r h ALA 21 CO 0.07 0.60 -0.44 0.28 0.00 0.00 0.00 179.25 179.76 3k7r h VAL 22 N 0.78 1.34 -0.59 0.00 2.07 -1.19 -2.88 116.25 115.77 3k7r h VAL 22 Ca 0.14 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 66.01 3k7r h VAL 22 Cb 0.52 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 3k7r h VAL 22 CO 0.03 0.52 0.34 -1.13 0.02 0.00 0.00 177.57 177.35 3k7r h ASN 23 N 0.26 0.53 -0.41 0.57 -1.24 -1.02 -2.39 115.58 111.88 3k7r h ASN 23 Ca -0.01 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.05 3k7r h ASN 23 Cb 1.05 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.97 3k7r h ASN 23 CO 0.09 0.36 0.19 0.50 -1.29 0.00 0.00 177.43 177.29 3k7r h LYS 24 N 0.66 0.38 -0.01 6.67 3.64 -1.08 0.08 116.57 126.91 3k7r h LYS 24 Ca 0.25 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3k7r h LYS 24 Cb 0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3k7r h LYS 24 CO -0.13 0.25 -0.04 0.28 -2.27 0.00 0.00 179.45 177.54 3k7r h VAL 25 N 0.39 0.89 -0.69 2.00 2.07 -1.30 -2.65 116.25 116.98 3k7r h VAL 25 Ca 0.18 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 3k7r h VAL 25 Cb 0.10 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3k7r h VAL 25 CO -0.13 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.62 3k7r h LEU 26 N -0.07 0.96 -1.40 2.57 3.38 -1.10 -2.61 115.31 117.04 3k7r h LEU 26 Ca 0.02 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3k7r h LEU 26 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3k7r h LEU 26 CO -0.05 0.88 -0.26 0.71 0.09 0.00 0.00 178.44 179.82 3k7r h THR 27 N 1.00 0.81 -0.02 0.22 1.35 -0.92 -2.07 112.91 113.29 3k7r h THR 27 Ca 0.23 -1.03 0.01 0.00 -0.55 0.00 0.00 66.41 65.06 3k7r h THR 27 Cb 0.25 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3k7r h THR 27 CO -0.01 0.25 0.02 0.11 -0.25 0.00 0.00 175.52 175.64 3k7r h LYS 28 N 0.00 0.00 -0.08 4.72 1.57 -1.09 -2.48 116.57 119.21 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 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3k7r h LYS 28 CO 0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.19 3k7r n LEU 29 N -4.31 1.10 -4.77 2.94 4.77 -0.78 -4.86 117.00 111.10 3k7r n LEU 29 Ca -0.02 -0.43 -0.41 0.00 -0.03 0.00 0.00 56.01 55.12 3k7r n LEU 29 Cb 0.11 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3k7r n LEU 29 CO 0.32 0.21 1.03 -1.61 -1.33 0.00 0.00 177.39 176.01 3k7r s GLU 30 N -1.91 4.21 0.00 3.23 2.02 -0.94 -1.05 118.70 124.26 3k7r s GLU 30 Ca 0.35 2.33 0.26 0.00 0.02 0.00 0.00 54.97 57.93 3k7r s GLU 30 Cb 0.18 -2.99 1.07 0.00 0.10 0.00 0.00 34.13 32.49 3k7r s GLU 30 CO 0.28 -0.35 1.75 -0.35 0.02 0.00 0.00 175.26 176.61 3k7r n PRO 31 N 0.58 1.57 0.16 0.39 -0.04 -1.26 -4.85 135.00 131.55 3k7r n PRO 31 Ca 0.01 -0.84 0.04 0.00 -0.04 0.00 0.00 63.50 62.67 3k7r n PRO 31 Cb 0.41 -1.45 0.18 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 1.93 0.00 -3.58 3.54 3.32 -1.49 -3.29 116.42 116.86 3k7r h ASP 32 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 3k7r h ASP 32 Cb 0.41 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.84 3k7r h ASP 32 CO 0.00 0.45 0.00 -0.69 -1.72 0.00 0.00 179.24 177.28 3k7r s VAL 33 N -3.25 5.05 -0.41 -1.35 1.01 -0.49 -2.62 120.40 118.33 3k7r s VAL 33 Ca 0.02 0.83 0.17 0.00 0.00 0.00 0.00 61.98 63.00 3k7r s VAL 33 Cb 0.09 -3.86 -0.22 0.00 0.00 0.00 0.00 36.38 32.39 3k7r s VAL 33 CO 0.72 0.03 0.54 -1.54 0.00 0.00 0.00 175.10 174.84 3k7r n SER 34 N 5.61 0.94 -3.65 3.32 3.41 -0.09 -4.11 113.62 119.05 3k7r n SER 34 Ca -0.04 -0.46 -0.13 0.00 -0.26 0.00 0.00 58.87 57.99 3k7r n SER 34 Cb 0.50 1.37 -0.08 0.00 -0.26 0.00 0.00 64.21 65.74 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 -2.85 0.74 -0.08 4.33 2.20 -1.14 -4.98 119.74 117.96 3k7r s LYS 35 Ca 0.00 0.94 0.02 0.00 -0.36 0.00 0.00 55.97 56.57 3k7r s LYS 35 Cb 0.12 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.78 3k7r s LYS 35 CO 0.69 -0.10 -0.12 0.42 -0.36 0.00 0.00 175.35 175.88 3k7r s ILE 36 N 0.54 1.18 -0.25 5.43 1.01 -1.26 -1.39 121.20 126.46 3k7r s ILE 36 Ca -0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 3k7r s ILE 36 Cb -0.05 -1.09 0.08 0.00 0.01 0.00 0.00 42.46 41.41 3k7r s ILE 36 CO -0.02 0.37 0.04 -0.62 0.00 0.00 0.00 174.94 174.71 3k7r s ASP 37 N 0.83 3.59 -0.11 3.58 2.15 0.42 -5.01 116.67 122.13 3k7r s ASP 37 Ca -0.11 -1.25 -0.01 0.00 0.43 0.00 0.00 52.55 51.61 3k7r s ASP 37 Cb -0.15 -0.85 -0.03 0.00 -0.30 0.00 0.00 42.92 41.59 3k7r s ASP 37 CO 0.02 -0.33 -0.06 -0.63 -0.17 0.00 0.00 175.17 173.99 3k7r s ILE 38 N 1.64 3.74 -0.33 4.11 1.01 -1.26 0.57 121.20 130.69 3k7r s ILE 38 Ca 0.02 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3k7r s ILE 38 Cb -0.18 -2.58 0.10 0.00 0.01 0.00 0.00 42.46 39.81 3k7r s ILE 38 CO -0.14 0.55 0.05 -0.55 0.00 0.00 0.00 174.94 174.86 3k7r s SER 39 N -0.27 4.52 0.25 3.58 0.15 0.66 -4.98 113.70 117.62 3k7r s SER 39 Ca 0.04 -1.95 -0.04 0.00 0.70 0.00 0.00 55.95 54.70 3k7r s SER 39 Cb -0.13 -1.40 0.42 0.00 -1.71 0.00 0.00 66.02 63.21 3k7r s SER 39 CO 0.02 -0.38 1.80 0.25 1.20 0.00 0.00 173.24 176.13 3k7r h LEU 40 N 7.76 0.64 -1.42 3.45 5.85 -1.95 0.30 115.31 129.93 3k7r h LEU 40 Ca -0.08 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3k7r h LEU 40 Cb 1.02 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 3k7r h LEU 40 CO 0.50 0.35 0.40 -0.33 -0.34 0.00 0.00 178.44 179.02 3k7r h GLU 41 N 0.75 0.76 -0.02 1.25 4.39 -1.95 -2.73 114.58 117.04 3k7r h GLU 41 Ca 0.41 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.06 3k7r h GLU 41 Cb 0.42 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3k7r h GLU 41 CO -0.27 0.50 -0.35 1.63 -1.16 0.00 0.00 179.01 179.36 3k7r n LYS 42 N -4.45 1.49 -3.50 2.33 5.02 -1.14 -4.99 118.16 112.91 3k7r n LYS 42 Ca 0.06 -1.16 -0.22 0.00 -2.02 0.00 0.00 58.31 54.97 3k7r n LYS 42 Cb 0.07 -1.44 0.08 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.25 -7.32 -4.46 1.97 1.13 0.98 -4.92 117.38 105.00 3k7r n GLN 43 Ca 0.10 0.77 -0.27 0.00 -1.94 0.00 0.00 57.00 55.67 3k7r n GLN 43 Cb 0.47 -5.65 -0.13 0.00 0.11 0.00 0.00 30.24 25.04 3k7r n GLN 43 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3k7r s LEU 44 N -6.80 2.26 -0.14 1.08 1.43 -0.72 -0.66 118.68 115.14 3k7r s LEU 44 Ca 0.49 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3k7r s LEU 44 Cb -0.22 -1.06 0.04 0.00 0.03 0.00 0.00 46.19 44.99 3k7r s LEU 44 CO 0.68 0.14 -0.02 -0.69 0.23 0.00 0.00 176.35 176.69 3k7r s VAL 45 N -1.02 0.74 -0.12 -1.59 1.01 -0.40 -0.24 120.40 118.79 3k7r s VAL 45 Ca 0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3k7r s VAL 45 Cb -0.10 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 3k7r s VAL 45 CO 0.04 0.12 0.01 -1.81 0.00 0.00 0.00 175.10 173.46 3k7r s ASP 46 N 1.80 5.29 -0.04 3.32 1.01 0.19 -0.30 116.67 127.94 3k7r s ASP 46 Ca 0.02 0.10 0.01 0.00 0.71 0.00 0.00 52.55 53.40 3k7r s ASP 46 Cb -0.14 -1.65 0.02 0.00 1.01 0.00 0.00 42.92 42.15 3k7r s ASP 46 CO -0.07 0.30 -0.05 -0.69 0.21 0.00 0.00 175.17 174.87 3k7r s VAL 47 N -0.43 0.55 -0.13 -1.27 1.01 0.52 -0.44 120.40 120.21 3k7r s VAL 47 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 3k7r s VAL 47 Cb -0.12 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 3k7r s VAL 47 CO 0.02 0.21 -0.07 -0.31 0.00 0.00 0.00 175.10 174.95 3k7r s TYR 48 N 0.71 2.94 -0.18 5.22 1.51 -0.49 -0.54 117.35 126.52 3k7r s TYR 48 Ca -0.10 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 55.32 3k7r s TYR 48 Cb -0.13 -1.87 0.14 0.00 -0.11 0.00 0.00 41.96 40.00 3k7r s TYR 48 CO 0.00 -0.01 1.14 -0.08 -1.11 0.00 0.00 175.55 175.49 3k7r s THR 49 N 0.12 0.00 -1.46 -0.71 -1.32 -0.63 -0.91 115.64 110.73 3k7r s THR 49 Ca -0.03 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.72 3k7r s THR 49 Cb -0.14 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.07 3k7r s THR 49 CO 0.03 0.00 1.59 0.35 -2.21 0.00 0.00 174.62 174.38 3k7r n THR 50 N 0.31 0.00 -2.33 5.08 -2.24 -1.08 -0.83 114.28 113.19 3k7r n THR 50 Ca -0.04 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 3k7r n THR 50 Cb 0.59 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 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 -2.68 3.66 0.70 3.22 1.43 -1.26 -4.75 118.68 119.00 3k7r s LEU 51 Ca 0.20 1.79 -0.14 0.00 -1.03 0.00 0.00 54.13 54.96 3k7r s LEU 51 Cb 0.19 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.89 3k7r s LEU 51 CO 0.57 -0.87 1.12 -2.84 0.23 0.00 0.00 176.35 174.56 3k7r s PRO 52 N -3.75 2.54 0.20 1.29 0.02 -1.26 -4.88 135.00 129.16 3k7r s PRO 52 Ca 0.64 1.39 -0.11 0.00 0.02 0.00 0.00 61.00 62.93 3k7r s PRO 52 Cb -0.14 -1.92 0.13 0.00 0.02 0.00 0.00 34.50 32.59 3k7r s PRO 52 CO 0.29 -1.46 1.87 -0.92 -0.33 0.00 0.00 177.00 176.44 3k7r h TYR 53 N -0.33 0.86 -0.14 6.54 3.20 -1.98 -2.21 116.97 122.91 3k7r h TYR 53 Ca -0.46 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.26 3k7r h TYR 53 Cb 1.25 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3k7r h TYR 53 CO 0.54 0.55 -0.62 -0.44 -1.64 0.00 0.00 178.16 176.55 3k7r h ASP 54 N 0.93 0.57 -0.08 -2.11 3.32 -1.99 -0.98 116.42 116.08 3k7r h ASP 54 Ca 0.25 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3k7r h ASP 54 Cb -0.10 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 3k7r h ASP 54 CO -0.05 1.05 0.05 0.15 -1.72 0.00 0.00 179.24 178.71 3k7r h PHE 55 N 0.37 0.11 -0.33 4.55 3.57 -1.89 -1.57 116.94 121.74 3k7r h PHE 55 Ca -0.01 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 3k7r h PHE 55 Cb 1.18 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 3k7r h PHE 55 CO 0.05 0.13 0.14 0.82 -2.23 0.00 0.00 178.31 177.22 3k7r h ILE 56 N 0.06 0.95 -0.31 1.41 1.08 -1.07 -1.40 117.51 118.22 3k7r h ILE 56 Ca 0.03 -0.10 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 3k7r h ILE 56 Cb 0.05 0.63 -0.08 0.00 -3.07 0.00 0.00 36.82 34.35 3k7r h ILE 56 CO -0.00 0.06 -0.34 0.25 -0.69 0.00 0.00 178.15 177.42 3k7r h LEU 57 N 0.30 -1.11 -0.92 1.44 5.85 -1.07 -1.50 115.31 118.30 3k7r h LEU 57 Ca 0.14 0.18 0.05 0.00 0.84 0.00 0.00 57.88 59.09 3k7r h LEU 57 Cb 0.08 0.50 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3k7r h LEU 57 CO -0.12 -0.34 0.59 -0.33 -0.34 0.00 0.00 178.44 177.90 3k7r h GLU 58 N -0.31 1.07 -0.76 1.25 4.39 -1.18 0.90 114.58 119.94 3k7r h GLU 58 Ca 0.14 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.82 3k7r h GLU 58 Cb 0.55 -0.24 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 3k7r h GLU 58 CO -0.48 0.71 0.47 0.87 -1.16 0.00 0.00 179.01 179.41 3k7r h LYS 59 N 1.10 0.86 -0.23 2.33 1.79 -0.54 -2.44 116.57 119.44 3k7r h LYS 59 Ca 0.39 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.69 3k7r h LYS 59 Cb 0.11 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3k7r h LYS 59 CO -0.15 0.57 -0.33 0.82 -1.08 0.00 0.00 179.45 179.28 3k7r h ILE 60 N 0.89 1.32 -0.23 1.86 2.04 -0.97 -3.22 117.51 119.20 3k7r h ILE 60 Ca 0.32 -1.53 0.07 0.00 1.00 0.00 0.00 64.86 64.71 3k7r h ILE 60 Cb 0.09 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3k7r h ILE 60 CO -0.14 0.48 0.19 0.11 0.00 0.00 0.00 178.15 178.78 3k7r h LYS 61 N 0.33 0.00 0.00 2.37 1.57 -0.41 -2.18 116.57 118.26 3k7r h LYS 61 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3k7r h LYS 61 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3k7r h LYS 61 CO 0.08 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.59 3k7r n LYS 62 N -4.25 0.42 0.19 3.15 4.76 -0.96 -1.81 118.16 119.65 3k7r n LYS 62 Ca 0.03 0.05 0.14 0.00 -2.87 0.00 0.00 58.31 55.65 3k7r n LYS 62 Cb 0.33 -1.50 0.54 0.00 -1.84 0.00 0.00 35.03 32.56 3k7r n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3k7r h THR 63 N 0.00 0.00 0.00 -0.18 1.35 -1.52 -3.46 112.91 109.10 3k7r h THR 63 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3k7r h THR 63 Cb 0.20 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 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 0.21 1.37 3.82 5.82 0.00 -0.75 -5.05 105.19 110.61 3k7r n GLY 64 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.30 4.25 -0.03 1.61 -0.14 -1.26 -5.01 119.74 118.86 3k7r s LYS 65 Ca 0.00 1.15 -0.24 0.00 -1.36 0.00 0.00 55.97 55.52 3k7r s LYS 65 Cb 0.00 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.88 3k7r s LYS 65 CO 0.00 -0.02 0.71 -2.00 -0.76 0.00 0.00 175.35 173.28 3k7r s GLU 66 N -3.08 4.44 -0.42 1.68 2.12 -1.26 -4.65 118.70 117.53 3k7r s GLU 66 Ca 0.61 0.91 -0.13 0.00 0.36 0.00 0.00 54.97 56.72 3k7r s GLU 66 Cb -0.10 -3.41 0.05 0.00 0.26 0.00 0.00 34.13 30.92 3k7r s GLU 66 CO 0.14 0.15 0.30 0.08 -0.54 0.00 0.00 175.26 175.39 3k7r s VAL 67 N 0.48 4.92 0.18 3.70 1.01 -1.26 -0.41 120.40 129.02 3k7r s VAL 67 Ca 0.37 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 3k7r s VAL 67 Cb -0.18 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 3k7r s VAL 67 CO 0.19 -0.40 1.45 0.03 0.00 0.00 0.00 175.10 176.38 3k7r h ARG 68 N 8.58 0.48 -1.84 2.72 3.08 -1.39 -3.48 114.38 122.54 3k7r h ARG 68 Ca -0.26 -0.36 0.25 0.00 0.07 0.00 0.00 59.98 59.67 3k7r h ARG 68 Cb 1.11 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 31.10 3k7r h ARG 68 CO 0.76 0.98 0.67 -1.54 -1.07 0.00 0.00 179.97 179.78 3k7r s SER 69 N -6.97 -0.14 -0.02 7.04 1.04 -1.24 -5.01 113.70 108.42 3k7r s SER 69 Ca -0.07 -0.20 -0.23 0.00 0.48 0.00 0.00 55.95 55.93 3k7r s SER 69 Cb 0.11 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.57 3k7r s SER 69 CO 0.84 -0.53 0.50 -0.83 0.98 0.00 0.00 173.24 174.20 3k7r s GLY 70 N -2.83 -0.37 0.07 7.32 0.00 -1.26 -0.61 107.32 109.63 3k7r s GLY 70 Ca 0.12 0.79 -0.09 0.00 0.00 0.00 0.00 44.72 45.54 3k7r s GLY 70 CO -0.02 0.50 0.20 -1.59 0.00 0.00 0.00 173.10 172.19 3k7r s LYS 71 N -1.42 0.79 -0.12 2.90 -2.85 -0.03 -5.00 119.74 114.00 3k7r s LYS 71 Ca -0.11 -0.82 -0.12 0.00 -1.00 0.00 0.00 55.97 53.92 3k7r s LYS 71 Cb -0.02 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.02 3k7r s LYS 71 CO 0.06 -0.24 0.26 -1.14 0.10 0.00 0.00 175.35 174.38 3k7r s GLN 72 N -3.35 3.97 0.00 1.78 0.74 -1.26 -1.43 119.66 120.11 3k7r s GLN 72 Ca 0.01 0.06 0.26 0.00 0.05 0.00 0.00 55.36 55.74 3k7r s GLN 72 Cb 0.03 -3.32 0.59 0.00 1.10 0.00 0.00 33.01 31.40 3k7r s GLN 72 CO -0.08 0.47 1.48 1.28 -0.55 0.00 0.00 175.29 177.90