#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 1.10 -0.34 0.00 -1.05 -1.26 -4.90 118.70 112.26 3k7r s GLU 3 Ca 0.00 1.33 -0.20 0.00 -0.15 0.00 0.00 54.97 55.95 3k7r s GLU 3 Cb 0.00 -1.75 -0.00 0.00 -0.44 0.00 0.00 34.13 31.93 3k7r s GLU 3 CO 0.00 -2.50 0.62 0.42 0.95 0.00 0.00 175.26 174.76 3k7r s ILE 4 N -2.71 4.92 0.32 1.83 1.01 -1.26 -4.25 121.20 121.06 3k7r s ILE 4 Ca 0.65 0.67 0.07 0.00 0.00 0.00 0.00 60.65 62.05 3k7r s ILE 4 Cb -0.21 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 3k7r s ILE 4 CO 0.58 -0.24 0.28 -0.54 0.00 0.00 0.00 174.94 175.02 3k7r s LYS 5 N 2.65 2.77 -0.10 2.79 1.02 0.11 -4.85 119.74 124.13 3k7r s LYS 5 Ca 0.24 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.99 3k7r s LYS 5 Cb -0.15 -2.50 0.02 0.00 -0.52 0.00 0.00 37.83 34.68 3k7r s LYS 5 CO 0.14 0.14 -0.09 -1.58 -0.92 0.00 0.00 175.35 173.04 3k7r s HIS 6 N -2.27 1.53 0.00 3.18 5.65 -1.26 -0.80 115.29 121.32 3k7r s HIS 6 Ca 0.40 -0.72 0.08 0.00 0.25 0.00 0.00 55.06 55.06 3k7r s HIS 6 Cb -0.06 -1.22 -0.02 0.00 -1.18 0.00 0.00 32.58 30.10 3k7r s HIS 6 CO 0.26 -0.46 -0.25 0.71 -0.65 0.00 0.00 174.74 174.35 3k7r s TYR 7 N 1.41 2.36 -0.06 3.88 2.02 -0.11 -1.25 117.35 125.61 3k7r s TYR 7 Ca -0.00 -0.40 0.05 0.00 -0.37 0.00 0.00 57.07 56.34 3k7r s TYR 7 Cb -0.13 -1.47 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 3k7r s TYR 7 CO -0.05 0.05 -0.22 -1.14 -1.57 0.00 0.00 175.55 172.61 3k7r s GLN 8 N -0.89 2.41 -0.04 -0.62 0.74 0.97 -1.24 119.66 120.98 3k7r s GLN 8 Ca 0.11 -0.80 0.04 0.00 0.05 0.00 0.00 55.36 54.76 3k7r s GLN 8 Cb -0.10 -1.99 -0.00 0.00 1.10 0.00 0.00 33.01 32.02 3k7r s GLN 8 CO 0.01 0.29 -0.17 -0.06 -0.55 0.00 0.00 175.29 174.80 3k7r s PHE 9 N 0.04 1.70 -0.38 1.67 0.08 -0.03 -0.88 117.98 120.18 3k7r s PHE 9 Ca -0.07 -0.50 -0.19 0.00 0.12 0.00 0.00 56.93 56.29 3k7r s PHE 9 Cb -0.14 -1.15 0.01 0.00 -0.57 0.00 0.00 43.02 41.16 3k7r s PHE 9 CO 0.04 -0.17 0.57 1.21 -0.10 0.00 0.00 175.22 176.77 3k7r s ASN 10 N 0.07 6.34 -0.10 1.36 2.47 0.63 -1.29 114.94 124.43 3k7r s ASN 10 Ca -0.05 -0.09 0.02 0.00 0.42 0.00 0.00 52.86 53.17 3k7r s ASN 10 Cb -0.12 -2.29 0.01 0.00 -1.45 0.00 0.00 41.25 37.40 3k7r s ASN 10 CO 0.02 -0.58 -0.17 -0.69 -3.72 0.00 0.00 177.10 171.96 3k7r s VAL 11 N 2.55 1.59 -0.62 -5.21 1.01 -0.69 -0.70 120.40 118.32 3k7r s VAL 11 Ca 0.21 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 3k7r s VAL 11 Cb -0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3k7r s VAL 11 CO 0.15 0.46 1.75 -0.69 0.00 0.00 0.00 175.10 176.76 3k7r s VAL 12 N 0.73 3.43 -0.31 2.92 1.01 0.11 -4.66 120.40 123.64 3k7r s VAL 12 Ca -0.12 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 3k7r s VAL 12 Cb -0.16 -4.11 0.06 0.00 0.00 0.00 0.00 36.38 32.16 3k7r s VAL 12 CO 0.02 -1.06 0.01 -0.04 0.00 0.00 0.00 175.10 174.03 3k7r s MET 13 N 6.73 2.35 -0.01 2.72 -1.94 -1.26 -4.18 119.30 123.71 3k7r s MET 13 Ca 0.62 -1.34 0.08 0.00 -1.71 0.00 0.00 55.69 53.33 3k7r s MET 13 Cb -0.12 -3.20 -0.24 0.00 2.01 0.00 0.00 34.83 33.29 3k7r s MET 13 CO 0.20 -0.67 0.78 1.15 -0.01 0.00 0.00 175.02 176.47 3k7r h THR 14 N 6.48 1.03 -3.82 2.05 2.02 -1.93 -3.47 112.91 115.27 3k7r h THR 14 Ca -0.20 -2.82 -0.29 0.00 0.77 0.00 0.00 66.41 63.88 3k7r h THR 14 Cb 1.06 2.55 -0.07 0.00 -1.74 0.00 0.00 68.15 69.95 3k7r h THR 14 CO 0.54 0.65 -0.25 0.00 0.37 0.00 0.00 175.52 176.83 3k7r n SER 16 N -1.99 0.16 -0.10 0.00 3.41 -1.26 -2.50 113.62 111.34 3k7r n SER 16 Ca -0.00 0.52 -0.11 0.00 -0.26 0.00 0.00 58.87 59.01 3k7r n SER 16 Cb 0.33 -0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 63.69 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 4.51 0.62 0.68 5.00 0.00 -1.98 -1.72 103.07 110.17 3k7r h GLY 17 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 47.33 46.86 3k7r h GLY 17 CO 0.00 0.46 0.03 0.00 0.00 0.00 0.00 176.54 177.03 3k7r h SER 19 N 0.12 0.22 0.25 0.00 4.64 -1.57 -2.73 113.55 114.48 3k7r h SER 19 Ca 0.11 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3k7r h SER 19 Cb 0.13 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3k7r h SER 19 CO -0.17 0.75 -0.41 1.23 -0.87 0.00 0.00 176.83 177.36 3k7r h GLY 20 N 1.49 0.24 1.11 -0.77 0.00 -0.92 -1.23 103.07 102.99 3k7r h GLY 20 Ca -0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 3k7r h GLY 20 CO 0.09 0.21 -0.34 0.00 0.00 0.00 0.00 176.54 176.49 3k7r h ALA 21 N 1.39 0.57 -0.47 3.60 0.00 -0.79 -1.24 119.26 122.32 3k7r h ALA 21 Ca 0.02 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3k7r h ALA 21 Cb 0.81 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3k7r h ALA 21 CO 0.06 0.64 0.07 0.28 0.00 0.00 0.00 179.25 180.30 3k7r h VAL 22 N 0.74 1.22 -0.28 0.00 2.07 -1.35 -2.50 116.25 116.16 3k7r h VAL 22 Ca 0.07 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3k7r h VAL 22 Cb 0.93 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3k7r h VAL 22 CO 0.09 0.30 0.16 -1.13 0.02 0.00 0.00 177.57 177.01 3k7r h ASN 23 N 0.70 0.34 -0.41 0.57 -1.24 -0.95 -2.83 115.58 111.76 3k7r h ASN 23 Ca 0.15 -0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.14 3k7r h ASN 23 Cb 0.33 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.26 3k7r h ASN 23 CO 0.01 0.30 0.20 0.11 -1.29 0.00 0.00 177.43 176.75 3k7r h LYS 24 N 0.35 0.39 -0.57 6.67 1.79 -1.00 0.12 116.57 124.31 3k7r h LYS 24 Ca 0.10 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 3k7r h LYS 24 Cb 0.02 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 3k7r h LYS 24 CO -0.02 0.26 0.22 -0.39 -1.08 0.00 0.00 179.45 178.44 3k7r h VAL 25 N 0.40 1.21 0.03 0.50 -1.51 -1.37 -1.82 116.25 113.68 3k7r h VAL 25 Ca 0.18 -0.65 -0.27 0.00 -1.23 0.00 0.00 66.70 64.72 3k7r h VAL 25 Cb 0.09 0.53 0.02 0.00 -2.13 0.00 0.00 31.29 29.81 3k7r h VAL 25 CO -0.13 0.26 -1.08 -0.07 -1.23 0.00 0.00 177.57 175.32 3k7r h LEU 26 N 0.82 0.84 -0.41 4.19 3.38 -1.27 -3.21 115.31 119.65 3k7r h LEU 26 Ca 0.19 -0.70 0.08 0.00 0.09 0.00 0.00 57.88 57.54 3k7r h LEU 26 Cb 0.17 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3k7r h LEU 26 CO -0.02 1.51 -0.08 0.74 0.09 0.00 0.00 178.44 180.68 3k7r h THR 27 N 0.34 0.61 0.00 0.22 2.02 -0.62 -1.75 112.91 113.73 3k7r h THR 27 Ca -0.14 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3k7r h THR 27 Cb 1.74 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3k7r h THR 27 CO 0.21 0.00 0.00 2.29 0.37 0.00 0.00 175.52 178.39 3k7r n LYS 28 N -5.29 0.30 0.00 6.66 2.85 -0.70 -1.50 118.16 120.48 3k7r n LYS 28 Ca 0.03 0.06 0.12 0.00 -1.05 0.00 0.00 58.31 57.47 3k7r n LYS 28 Cb 0.22 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.37 3k7r n LYS 28 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3k7r n LEU 29 N -1.09 1.40 -4.67 -5.58 4.77 -0.66 -4.93 117.00 106.23 3k7r n LEU 29 Ca 0.08 -0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 55.23 3k7r n LEU 29 Cb 0.06 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3k7r n LEU 29 CO 0.07 0.26 0.75 -0.62 -1.33 0.00 0.00 177.39 176.52 3k7r n GLU 30 N -0.37 1.31 0.00 3.23 1.02 -0.56 -2.28 120.64 122.99 3k7r n GLU 30 Ca 0.12 0.49 0.14 0.00 -0.02 0.00 0.00 57.16 57.88 3k7r n GLU 30 Cb 0.39 -2.34 0.50 0.00 -0.02 0.00 0.00 31.44 29.97 3k7r n GLU 30 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3k7r n PRO 31 N -0.88 0.67 -0.29 3.49 -0.04 -1.26 -4.86 135.00 131.83 3k7r n PRO 31 Ca 0.12 -0.30 0.03 0.00 -0.04 0.00 0.00 63.50 63.30 3k7r n PRO 31 Cb 0.45 -1.49 0.23 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.74 0.91 -3.15 3.54 3.32 -1.86 -3.32 116.42 116.61 3k7r h ASP 32 Ca 0.00 -0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.47 3k7r h ASP 32 Cb 0.43 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 3k7r h ASP 32 CO 0.00 0.60 0.69 -0.69 -1.72 0.00 0.00 179.24 178.13 3k7r s VAL 33 N -5.91 4.73 -0.63 -1.35 1.01 -1.10 -2.32 120.40 114.84 3k7r s VAL 33 Ca -0.11 1.98 0.13 0.00 0.00 0.00 0.00 61.98 63.98 3k7r s VAL 33 Cb 0.19 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 32.14 3k7r s VAL 33 CO 0.80 -0.11 0.57 -1.54 0.00 0.00 0.00 175.10 174.82 3k7r n SER 34 N 5.88 0.65 -3.65 3.32 3.41 0.12 -4.27 113.62 119.09 3k7r n SER 34 Ca 0.10 -0.81 -0.10 0.00 -0.26 0.00 0.00 58.87 57.81 3k7r n SER 34 Cb 0.47 1.01 -0.07 0.00 -0.26 0.00 0.00 64.21 65.35 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 -2.29 0.71 -0.08 4.33 2.20 -1.22 -5.01 119.74 118.39 3k7r s LYS 35 Ca 0.05 1.09 0.02 0.00 -0.36 0.00 0.00 55.97 56.77 3k7r s LYS 35 Cb 0.10 0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.65 3k7r s LYS 35 CO 0.56 -0.13 -0.13 0.42 -0.36 0.00 0.00 175.35 175.70 3k7r s ILE 36 N 1.17 1.23 -0.23 5.43 1.01 -1.26 -1.77 121.20 126.78 3k7r s ILE 36 Ca -0.06 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.08 3k7r s ILE 36 Cb -0.05 -1.13 0.05 0.00 0.01 0.00 0.00 42.46 41.34 3k7r s ILE 36 CO -0.12 0.38 -0.10 -1.81 0.00 0.00 0.00 174.94 173.29 3k7r s ASP 37 N 0.75 3.87 -0.19 3.58 1.01 -0.73 -5.01 116.67 119.95 3k7r s ASP 37 Ca -0.13 -1.13 -0.05 0.00 0.71 0.00 0.00 52.55 51.95 3k7r s ASP 37 Cb -0.16 -1.34 -0.02 0.00 1.01 0.00 0.00 42.92 42.40 3k7r s ASP 37 CO 0.03 -0.18 -0.01 -0.63 0.21 0.00 0.00 175.17 174.59 3k7r s ILE 38 N 1.29 3.94 -0.41 0.77 1.01 -1.26 -0.94 121.20 125.60 3k7r s ILE 38 Ca -0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 3k7r s ILE 38 Cb -0.18 -2.77 0.09 0.00 0.01 0.00 0.00 42.46 39.61 3k7r s ILE 38 CO -0.07 0.44 0.22 -0.55 0.00 0.00 0.00 174.94 174.98 3k7r s SER 39 N 0.92 5.40 0.12 3.58 0.15 -0.50 -4.99 113.70 118.39 3k7r s SER 39 Ca 0.01 -1.74 -0.20 0.00 0.70 0.00 0.00 55.95 54.72 3k7r s SER 39 Cb -0.14 -1.89 -0.07 0.00 -1.71 0.00 0.00 66.02 62.20 3k7r s SER 39 CO 0.02 -0.53 1.77 0.25 1.20 0.00 0.00 173.24 175.95 3k7r h LEU 40 N 8.22 0.24 -0.84 3.45 5.85 -1.96 0.46 115.31 130.74 3k7r h LEU 40 Ca -0.18 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3k7r h LEU 40 Cb 1.06 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 3k7r h LEU 40 CO 0.72 0.19 0.54 -0.33 -0.34 0.00 0.00 178.44 179.22 3k7r h GLU 41 N 0.27 1.01 -0.00 1.25 3.07 -1.94 -1.90 114.58 116.34 3k7r h GLU 41 Ca 0.08 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3k7r h GLU 41 Cb -0.02 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.67 3k7r h GLU 41 CO -0.02 0.67 -0.15 1.63 -1.40 0.00 0.00 179.01 179.74 3k7r n LYS 42 N -4.57 0.33 -3.86 2.33 5.02 -1.15 -4.94 118.16 111.31 3k7r n LYS 42 Ca 0.10 -0.10 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 3k7r n LYS 42 Cb 0.10 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.25 -5.46 -4.39 1.97 1.13 0.05 -4.95 117.38 104.49 3k7r n GLN 43 Ca 0.10 0.61 -0.28 0.00 -1.94 0.00 0.00 57.00 55.49 3k7r n GLN 43 Cb 0.30 -5.43 -0.12 0.00 0.11 0.00 0.00 30.24 25.11 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 -7.16 2.49 -0.10 1.08 1.43 -0.61 -1.71 118.68 114.11 3k7r s LEU 44 Ca 0.52 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3k7r s LEU 44 Cb -0.26 -1.27 0.04 0.00 0.03 0.00 0.00 46.19 44.73 3k7r s LEU 44 CO 0.82 0.14 0.07 -0.69 0.23 0.00 0.00 176.35 176.92 3k7r s VAL 45 N -1.46 -0.03 -0.14 -1.59 1.01 -0.41 -1.41 120.40 116.36 3k7r s VAL 45 Ca 0.19 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 3k7r s VAL 45 Cb -0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3k7r s VAL 45 CO 0.09 -0.01 0.04 -1.81 0.00 0.00 0.00 175.10 173.41 3k7r s ASP 46 N 2.13 5.49 -0.04 3.32 1.01 -0.11 -0.85 116.67 127.62 3k7r s ASP 46 Ca 0.04 0.12 0.02 0.00 0.71 0.00 0.00 52.55 53.43 3k7r s ASP 46 Cb -0.14 -1.81 0.01 0.00 1.01 0.00 0.00 42.92 41.99 3k7r s ASP 46 CO -0.06 0.26 -0.07 -0.69 0.21 0.00 0.00 175.17 174.82 3k7r s VAL 47 N -0.15 0.71 -0.17 -1.27 1.01 -0.37 -1.78 120.40 118.37 3k7r s VAL 47 Ca 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 3k7r s VAL 47 Cb -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3k7r s VAL 47 CO 0.02 0.25 -0.15 -0.31 0.00 0.00 0.00 175.10 174.91 3k7r s TYR 48 N 0.56 2.81 -0.08 5.22 1.51 -0.73 -0.93 117.35 125.71 3k7r s TYR 48 Ca -0.09 -1.20 -0.30 0.00 -1.01 0.00 0.00 57.07 54.48 3k7r s TYR 48 Cb -0.12 -1.94 0.10 0.00 -0.11 0.00 0.00 41.96 39.89 3k7r s TYR 48 CO 0.01 -0.59 0.86 -0.08 -1.11 0.00 0.00 175.55 174.64 3k7r s THR 49 N 1.08 0.00 -0.27 -0.71 -1.32 0.02 0.13 115.64 114.57 3k7r s THR 49 Ca -0.00 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.69 3k7r s THR 49 Cb -0.14 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.93 3k7r s THR 49 CO -0.04 0.00 1.23 0.71 -2.21 0.00 0.00 174.62 174.30 3k7r h THR 50 N 2.57 0.19 -4.13 5.08 1.35 -1.64 0.32 112.91 116.65 3k7r h THR 50 Ca -0.22 -1.32 -0.50 0.00 -0.55 0.00 0.00 66.41 63.81 3k7r h THR 50 Cb 1.18 1.85 0.08 0.00 -1.73 0.00 0.00 68.15 69.53 3k7r h THR 50 CO 0.34 0.11 0.41 -0.76 -0.25 0.00 0.00 175.52 175.37 3k7r s LEU 51 N -5.82 3.61 0.52 3.87 1.43 -1.26 -4.81 118.68 116.22 3k7r s LEU 51 Ca 0.02 2.09 -0.22 0.00 -1.03 0.00 0.00 54.13 54.99 3k7r s LEU 51 Cb 0.08 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.68 3k7r s LEU 51 CO 0.75 -1.34 1.27 -2.16 0.23 0.00 0.00 176.35 175.09 3k7r s PRO 52 N -3.60 3.33 0.21 1.29 0.04 -1.26 -4.89 135.00 130.12 3k7r s PRO 52 Ca 0.70 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.65 3k7r s PRO 52 Cb -0.22 -2.26 0.30 0.00 0.04 0.00 0.00 34.50 32.36 3k7r s PRO 52 CO 0.32 -0.97 1.67 -0.92 0.04 0.00 0.00 177.00 177.14 3k7r h TYR 53 N 1.58 -0.01 -0.14 0.56 3.20 -1.99 -1.62 116.97 118.56 3k7r h TYR 53 Ca -0.50 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.36 3k7r h TYR 53 Cb 1.28 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 3k7r h TYR 53 CO 0.49 -0.15 -0.16 -0.44 -1.64 0.00 0.00 178.16 176.25 3k7r h ASP 54 N 0.13 0.21 -0.07 -2.11 3.32 -1.98 0.34 116.42 116.25 3k7r h ASP 54 Ca 0.32 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.15 3k7r h ASP 54 Cb 0.52 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 3k7r h ASP 54 CO -0.52 0.39 -0.61 0.15 -1.72 0.00 0.00 179.24 176.94 3k7r h PHE 55 N 0.21 0.87 -0.11 4.55 3.57 -1.69 -0.32 116.94 124.02 3k7r h PHE 55 Ca 0.04 -0.33 -0.13 0.00 3.53 0.00 0.00 57.97 61.08 3k7r h PHE 55 Cb 0.42 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.00 3k7r h PHE 55 CO 0.01 1.11 -0.45 0.82 -2.23 0.00 0.00 178.31 177.58 3k7r h ILE 56 N 0.51 1.37 -0.22 1.41 1.08 -0.85 -2.74 117.51 118.08 3k7r h ILE 56 Ca -0.00 -1.77 0.05 0.00 -0.39 0.00 0.00 64.86 62.75 3k7r h ILE 56 Cb 1.19 2.16 -0.06 0.00 -3.07 0.00 0.00 36.82 37.04 3k7r h ILE 56 CO 0.12 0.53 -0.15 0.25 -0.69 0.00 0.00 178.15 178.21 3k7r h LEU 57 N 0.09 -0.50 -0.78 1.44 5.85 -0.89 -0.89 115.31 119.64 3k7r h LEU 57 Ca -0.02 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3k7r h LEU 57 Cb 1.08 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 3k7r h LEU 57 CO 0.09 -0.19 0.20 -0.08 -0.34 0.00 0.00 178.44 178.11 3k7r h GLU 58 N -0.15 1.12 -0.64 1.25 4.22 -1.12 -0.93 114.58 118.32 3k7r h GLU 58 Ca 0.12 -0.25 0.04 0.00 0.08 0.00 0.00 59.36 59.35 3k7r h GLU 58 Cb 0.34 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3k7r h GLU 58 CO -0.31 0.97 0.38 0.87 -2.18 0.00 0.00 179.01 178.74 3k7r h LYS 59 N 1.06 0.72 -0.34 1.92 1.79 -1.08 -1.91 116.57 118.74 3k7r h LYS 59 Ca 0.23 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 3k7r h LYS 59 Cb 0.34 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3k7r h LYS 59 CO -0.00 0.48 0.09 0.82 -1.08 0.00 0.00 179.45 179.76 3k7r h ILE 60 N 0.74 1.21 -0.98 1.86 2.04 -1.00 -3.01 117.51 118.39 3k7r h ILE 60 Ca 0.26 -0.71 0.17 0.00 1.00 0.00 0.00 64.86 65.59 3k7r h ILE 60 Cb 0.06 1.04 -0.10 0.00 -0.74 0.00 0.00 36.82 37.08 3k7r h ILE 60 CO -0.12 0.24 0.58 0.11 0.00 0.00 0.00 178.15 178.96 3k7r h LYS 61 N 0.39 0.77 0.00 2.37 1.57 -0.82 -2.09 116.57 118.76 3k7r h LYS 61 Ca 0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3k7r h LYS 61 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3k7r h LYS 61 CO -0.00 0.51 0.00 1.63 -0.57 0.00 0.00 179.45 181.02 3k7r n LYS 62 N -4.76 0.17 0.15 3.15 5.02 -0.75 -1.32 118.16 119.82 3k7r n LYS 62 Ca 0.21 0.17 0.13 0.00 -2.02 0.00 0.00 58.31 56.80 3k7r n LYS 62 Cb 0.50 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.48 3k7r n LYS 62 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3k7r h THR 63 N 0.00 0.00 0.00 -0.18 1.35 -1.46 -3.46 112.91 109.15 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 0.14 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 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 0.45 1.08 3.75 5.82 0.00 -0.44 -5.05 105.19 110.81 3k7r n GLY 64 Ca 0.03 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 -0.58 4.57 0.16 1.61 -0.14 -1.26 -4.98 119.74 119.12 3k7r s LYS 65 Ca 0.00 1.18 -0.30 0.00 -1.36 0.00 0.00 55.97 55.49 3k7r s LYS 65 Cb 0.00 -3.33 -0.08 0.00 -1.68 0.00 0.00 37.83 32.74 3k7r s LYS 65 CO 0.00 0.37 1.22 -2.00 -0.76 0.00 0.00 175.35 174.17 3k7r s GLU 66 N -0.41 4.46 -0.48 1.68 2.12 -1.26 -4.63 118.70 120.18 3k7r s GLU 66 Ca 0.39 1.88 -0.15 0.00 0.36 0.00 0.00 54.97 57.45 3k7r s GLU 66 Cb -0.22 -3.26 0.09 0.00 0.26 0.00 0.00 34.13 31.00 3k7r s GLU 66 CO 0.25 -0.15 0.41 0.08 -0.54 0.00 0.00 175.26 175.31 3k7r s VAL 67 N 0.25 5.14 0.15 3.70 1.01 -1.26 0.08 120.40 129.46 3k7r s VAL 67 Ca 0.55 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 3k7r s VAL 67 Cb -0.32 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 31.87 3k7r s VAL 67 CO 0.35 -0.64 1.46 0.03 0.00 0.00 0.00 175.10 176.30 3k7r h ARG 68 N 8.75 0.87 -2.62 2.72 3.08 -1.29 -3.48 114.38 122.42 3k7r h ARG 68 Ca -0.28 -0.50 0.06 0.00 0.07 0.00 0.00 59.98 59.33 3k7r h ARG 68 Cb 1.11 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 31.06 3k7r h ARG 68 CO 0.91 1.14 0.36 -1.54 -1.07 0.00 0.00 179.97 179.76 3k7r s SER 69 N -6.89 -0.44 0.11 7.04 1.04 -1.21 -5.01 113.70 108.34 3k7r s SER 69 Ca -0.10 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.19 3k7r s SER 69 Cb 0.11 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3k7r s SER 69 CO 0.88 -0.81 0.25 -0.83 0.98 0.00 0.00 173.24 173.71 3k7r s GLY 70 N -2.63 0.09 -0.01 7.32 0.00 -1.26 -0.27 107.32 110.56 3k7r s GLY 70 Ca 0.04 -0.56 -0.18 0.00 0.00 0.00 0.00 44.72 44.02 3k7r s GLY 70 CO -0.10 -0.72 0.38 -1.59 0.00 0.00 0.00 173.10 171.08 3k7r s LYS 71 N -3.87 0.77 0.06 2.90 -2.85 -0.06 -5.01 119.74 111.68 3k7r s LYS 71 Ca 0.07 -0.16 -0.25 0.00 -1.00 0.00 0.00 55.97 54.63 3k7r s LYS 71 Cb 0.04 0.35 -0.06 0.00 -2.06 0.00 0.00 37.83 36.10 3k7r s LYS 71 CO -0.09 -0.23 0.76 -1.14 0.10 0.00 0.00 175.35 174.75 3k7r s GLN 72 N -1.50 4.50 0.00 1.78 0.74 -1.26 -0.02 119.66 123.89 3k7r s GLN 72 Ca -0.12 1.07 0.10 0.00 0.05 0.00 0.00 55.36 56.46 3k7r s GLN 72 Cb -0.04 -3.35 0.08 0.00 1.10 0.00 0.00 33.01 30.81 3k7r s GLN 72 CO 0.04 0.33 0.83 1.28 -0.55 0.00 0.00 175.29 177.22