#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j6r s HIS 2 N 0.00 2.82 -0.62 -1.40 2.46 -1.26 -4.96 115.29 112.33 1j6r s HIS 2 Ca 0.00 0.10 0.06 0.00 0.47 0.00 0.00 55.06 55.69 1j6r s HIS 2 Cb 0.00 -4.05 0.24 0.00 -0.13 0.00 0.00 32.58 28.64 1j6r s HIS 2 CO 0.00 -1.29 0.70 -1.33 -2.47 0.00 0.00 174.74 170.35 1j6r n MET 3 N 7.41 2.29 -1.56 2.88 2.81 -1.26 -4.68 117.12 125.00 1j6r n MET 3 Ca 0.03 -4.52 -0.33 0.00 -1.81 0.00 0.00 57.70 51.07 1j6r n MET 3 Cb 0.48 -2.17 0.07 0.00 -0.71 0.00 0.00 33.22 30.89 1j6r n MET 3 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1j6r s PRO 4 N -2.26 2.43 0.02 0.03 0.04 -1.24 -4.85 135.00 129.18 1j6r s PRO 4 Ca 0.38 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.78 1j6r s PRO 4 Cb 0.13 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.82 1j6r s PRO 4 CO -0.04 -1.56 0.41 -1.59 0.04 0.00 0.00 177.00 174.26 1j6r s LYS 5 N -4.06 0.87 0.01 4.56 -2.85 -1.26 -2.09 119.74 114.91 1j6r s LYS 5 Ca 0.70 -0.27 0.04 0.00 -1.00 0.00 0.00 55.97 55.44 1j6r s LYS 5 Cb -0.24 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 35.90 1j6r s LYS 5 CO 0.44 -0.28 -0.12 0.08 0.10 0.00 0.00 175.35 175.56 1j6r s VAL 6 N -2.07 0.97 -0.17 1.79 1.01 -0.52 -5.00 120.40 116.41 1j6r s VAL 6 Ca -0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1j6r s VAL 6 Cb -0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1j6r s VAL 6 CO 0.00 0.15 -0.05 -1.61 0.00 0.00 0.00 175.10 173.59 1j6r s GLU 7 N -0.62 3.56 -0.11 2.72 2.02 -1.26 -1.72 118.70 123.29 1j6r s GLU 7 Ca 0.03 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 54.48 1j6r s GLU 7 Cb -0.06 -2.89 -0.00 0.00 0.10 0.00 0.00 34.13 31.28 1j6r s GLU 7 CO 0.00 0.14 -0.21 0.42 0.02 0.00 0.00 175.26 175.64 1j6r s ILE 8 N 0.60 2.33 0.18 -1.63 1.01 -0.54 -5.01 121.20 118.15 1j6r s ILE 8 Ca -0.04 -0.92 -0.31 0.00 0.00 0.00 0.00 60.65 59.38 1j6r s ILE 8 Cb -0.15 -1.92 -0.10 0.00 0.01 0.00 0.00 42.46 40.30 1j6r s ILE 8 CO 0.03 0.55 1.55 0.00 0.00 0.00 0.00 174.94 177.07 1j6r s ALA 9 N 0.39 3.76 0.38 9.38 0.00 -1.26 -3.93 121.76 130.47 1j6r s ALA 9 Ca -0.16 1.38 0.13 0.00 0.00 0.00 0.00 51.96 53.31 1j6r s ALA 9 Cb -0.17 -3.62 0.94 0.00 0.00 0.00 0.00 23.12 20.28 1j6r s ALA 9 CO 0.07 -0.79 1.83 -1.35 0.00 0.00 0.00 175.76 175.53 1j6r h PRO 10 N 6.47 0.54 0.00 0.00 0.11 -1.88 -0.80 132.00 136.44 1j6r h PRO 10 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1j6r h PRO 10 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1j6r h PRO 10 CO 0.89 0.36 0.00 -1.13 -0.21 0.00 0.00 178.00 177.91 1j6r n SER 11 N -4.59 0.63 -0.26 -2.05 3.41 -1.26 -2.29 113.62 107.21 1j6r n SER 11 Ca 0.20 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.58 1j6r n SER 11 Cb 0.63 -0.77 0.64 0.00 -0.26 0.00 0.00 64.21 64.44 1j6r n SER 11 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1j6r n GLU 12 N -2.17 1.36 -3.35 4.33 -0.58 -0.31 -4.71 120.64 115.21 1j6r n GLU 12 Ca 0.03 -0.52 -0.44 0.00 -0.42 0.00 0.00 57.16 55.81 1j6r n GLU 12 Cb 0.27 -1.44 -0.08 0.00 -0.57 0.00 0.00 31.44 29.62 1j6r n GLU 12 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1j6r s ILE 13 N -1.96 5.15 -0.46 -3.67 1.01 -0.97 -5.02 121.20 115.28 1j6r s ILE 13 Ca 0.38 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 60.12 1j6r s ILE 13 Cb 0.19 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.61 1j6r s ILE 13 CO 0.31 -0.51 0.73 -0.75 0.00 0.00 0.00 174.94 174.72 1j6r s LYS 14 N 1.94 3.33 -0.12 2.79 2.36 -1.26 -5.02 119.74 123.75 1j6r s LYS 14 Ca 0.08 -0.28 -0.18 0.00 -2.55 0.00 0.00 55.97 53.04 1j6r s LYS 14 Cb -0.20 -3.96 -0.04 0.00 -1.05 0.00 0.00 37.83 32.57 1j6r s LYS 14 CO 0.10 -1.11 0.46 0.42 1.55 0.00 0.00 175.35 176.77 1j6r s ILE 15 N 3.12 5.19 0.30 5.43 1.01 -1.26 -5.01 121.20 129.97 1j6r s ILE 15 Ca 0.26 0.92 -0.30 0.00 0.00 0.00 0.00 60.65 61.53 1j6r s ILE 15 Cb -0.13 -3.80 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 1j6r s ILE 15 CO 0.20 0.34 1.57 -2.84 0.00 0.00 0.00 174.94 174.21 1j6r s PRO 16 N 0.56 4.13 0.25 2.79 0.02 -1.26 -4.84 135.00 136.65 1j6r s PRO 16 Ca 0.25 2.56 -0.07 0.00 0.02 0.00 0.00 61.00 63.76 1j6r s PRO 16 Cb -0.15 -3.03 0.44 0.00 0.02 0.00 0.00 34.50 31.79 1j6r s PRO 16 CO 0.10 -0.61 1.62 -0.44 -0.33 0.00 0.00 177.00 177.34 1j6r h ASP 17 N 4.70 -0.46 0.59 2.53 3.32 -1.99 -1.58 116.42 123.55 1j6r h ASP 17 Ca -0.47 0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 1j6r h ASP 17 Cb 1.22 0.39 -0.01 0.00 0.22 0.00 0.00 39.33 41.16 1j6r h ASP 17 CO 0.78 -0.22 -0.25 0.78 -1.72 0.00 0.00 179.24 178.61 1j6r h ASN 18 N 0.07 0.00 -0.01 6.45 2.35 -1.97 0.50 115.58 122.96 1j6r h ASN 18 Ca 0.42 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.04 1j6r h ASN 18 Cb 0.74 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.12 1j6r h ASN 18 CO -0.73 0.25 -0.53 0.58 -1.65 0.00 0.00 177.43 175.36 1j6r h VAL 19 N 0.00 1.44 0.72 2.81 2.07 -1.69 -1.97 116.25 119.64 1j6r h VAL 19 Ca -0.00 -2.03 -0.04 0.00 0.82 0.00 0.00 66.70 65.45 1j6r h VAL 19 Cb 0.62 2.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1j6r h VAL 19 CO 0.03 0.59 -0.35 0.25 0.02 0.00 0.00 177.57 178.11 1j6r h LEU 20 N -0.16 -0.82 -0.82 2.57 6.46 -1.01 -0.57 115.31 120.96 1j6r h LEU 20 Ca -0.06 0.03 0.20 0.00 -0.12 0.00 0.00 57.88 57.92 1j6r h LEU 20 Cb 1.24 0.21 -0.14 0.00 -0.73 0.00 0.00 40.66 41.24 1j6r h LEU 20 CO 0.10 -0.59 0.05 0.11 -0.62 0.00 0.00 178.44 177.50 1j6r h LYS 21 N -0.97 0.11 -0.57 1.25 1.57 -0.14 0.88 116.57 118.70 1j6r h LYS 21 Ca -0.10 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1j6r h LYS 21 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1j6r h LYS 21 CO 0.16 0.07 0.09 0.00 -0.57 0.00 0.00 179.45 179.20 1j6r h ALA 22 N 1.76 1.08 0.00 3.86 0.00 -1.24 -0.57 119.26 124.15 1j6r h ALA 22 Ca 0.47 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1j6r h ALA 22 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1j6r h ALA 22 CO -0.70 0.60 -0.29 -0.22 0.00 0.00 0.00 179.25 178.64 1j6r h LYS 23 N 0.87 0.00 -0.59 0.00 1.63 0.24 -2.98 116.57 115.73 1j6r h LYS 23 Ca 0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1j6r h LYS 23 Cb 0.39 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1j6r h LYS 23 CO 0.01 0.29 0.00 1.28 -3.45 0.00 0.00 179.45 177.58 1j6r n LEU 24 N -3.85 5.17 0.00 5.20 4.77 -0.41 -4.90 117.00 122.99 1j6r n LEU 24 Ca -0.02 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.26 1j6r n LEU 24 Cb 0.37 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1j6r n LEU 24 CO 0.36 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 1j6r n GLY 25 N 0.80 0.70 2.21 -0.72 0.00 -1.13 -4.97 105.19 102.07 1j6r n GLY 25 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 1j6r n GLY 25 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j6r n PHE 26 N -2.57 2.99 -1.64 1.61 3.01 -0.24 -5.02 117.46 115.61 1j6r n PHE 26 Ca 0.00 -2.60 -0.45 0.00 1.01 0.00 0.00 57.45 55.41 1j6r n PHE 26 Cb 0.00 -0.82 -0.04 0.00 -0.01 0.00 0.00 39.48 38.62 1j6r n PHE 26 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j6r n GLY 27 N -0.78 1.51 1.23 1.37 0.00 -1.22 -2.50 105.19 104.79 1j6r n GLY 27 Ca 0.52 0.83 0.00 0.00 0.00 0.00 0.00 46.02 47.37 1j6r n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j6r n GLY 28 N 4.85 2.52 1.95 -0.02 0.00 -1.26 -4.98 105.19 108.24 1j6r n GLY 28 Ca 0.24 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1j6r n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j6r n ALA 29 N 0.00 -2.14 0.03 4.61 0.00 -1.04 -4.78 120.51 117.19 1j6r n ALA 29 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1j6r n ALA 29 Cb 0.00 -0.94 0.16 0.00 0.00 0.00 0.00 19.45 18.67 1j6r n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1j6r h GLU 30 N 0.92 0.43 -4.31 0.00 4.81 -1.95 -3.45 114.58 111.04 1j6r h GLU 30 Ca -0.20 -0.21 -0.16 0.00 -0.13 0.00 0.00 59.36 58.66 1j6r h GLU 30 Cb 0.82 -0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.03 1j6r h GLU 30 CO 0.34 0.75 -0.69 -1.21 -0.73 0.00 0.00 179.01 177.47 1j6r s GLU 31 N -4.25 0.60 -0.01 1.92 0.41 -1.26 -5.12 118.70 110.99 1j6r s GLU 31 Ca -0.06 -1.11 -0.30 0.00 -0.41 0.00 0.00 54.97 53.08 1j6r s GLU 31 Cb 0.13 0.07 -0.06 0.00 -1.78 0.00 0.00 34.13 32.49 1j6r s GLU 31 CO 0.80 -0.07 1.48 -1.50 -0.49 0.00 0.00 175.26 175.48 1j6r s ILE 32 N -3.27 3.61 0.38 -1.63 2.07 -1.26 -4.96 121.20 116.14 1j6r s ILE 32 Ca 0.03 0.96 -0.24 0.00 -1.41 0.00 0.00 60.65 59.99 1j6r s ILE 32 Cb 0.03 -3.62 -0.13 0.00 0.13 0.00 0.00 42.46 38.87 1j6r s ILE 32 CO -0.07 -0.02 0.63 -2.65 -1.91 0.00 0.00 174.94 170.92 1j6r n PRO 33 N 5.78 0.67 0.07 3.50 -0.02 -1.26 -4.77 135.00 138.97 1j6r n PRO 33 Ca 0.14 0.24 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1j6r n PRO 33 Cb 0.43 -1.53 0.63 0.00 -0.02 0.00 0.00 33.50 33.02 1j6r n PRO 33 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1j6r h GLU 34 N 1.03 0.09 0.00 -0.52 5.08 -2.01 -1.49 114.58 116.75 1j6r h GLU 34 Ca -0.39 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1j6r h GLU 34 Cb 1.39 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1j6r h GLU 34 CO 0.54 0.06 -0.09 1.05 -1.00 0.00 0.00 179.01 179.56 1j6r h GLU 35 N 0.09 0.00 -0.17 2.33 4.11 -2.03 -3.04 114.58 115.87 1j6r h GLU 35 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1j6r h GLU 35 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1j6r h GLU 35 CO -0.02 0.09 0.00 1.19 0.07 0.00 0.00 179.01 180.34 1j6r n PHE 36 N -3.65 0.21 0.06 2.06 3.01 -0.57 -4.74 117.46 113.83 1j6r n PHE 36 Ca -0.02 -0.21 -0.13 0.00 1.01 0.00 0.00 57.45 58.10 1j6r n PHE 36 Cb 0.20 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.58 1j6r n PHE 36 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1j6r h ARG 37 N 2.25 -0.11 -0.46 -1.08 2.43 -1.44 -1.09 114.38 114.88 1j6r h ARG 37 Ca 0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1j6r h ARG 37 Cb 0.60 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1j6r h ARG 37 CO 0.00 0.14 0.10 0.87 -1.51 0.00 0.00 179.97 179.57 1j6r h LYS 38 N -0.34 0.70 0.12 0.20 1.57 -1.85 -0.28 116.57 116.69 1j6r h LYS 38 Ca -0.01 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1j6r h LYS 38 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1j6r h LYS 38 CO 0.02 0.64 -0.06 1.15 -0.57 0.00 0.00 179.45 180.63 1j6r h THR 39 N 0.68 1.05 -0.44 -0.16 2.02 -1.83 -1.65 112.91 112.57 1j6r h THR 39 Ca 0.15 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1j6r h THR 39 Cb 0.27 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1j6r h THR 39 CO -0.00 0.19 0.25 0.58 0.37 0.00 0.00 175.52 176.91 1j6r h VAL 40 N -0.56 1.16 -0.71 3.16 2.07 -1.17 0.14 116.25 120.33 1j6r h VAL 40 Ca -0.02 -0.39 0.14 0.00 0.82 0.00 0.00 66.70 67.25 1j6r h VAL 40 Cb 0.44 0.61 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 1j6r h VAL 40 CO 0.03 0.16 0.23 0.78 0.02 0.00 0.00 177.57 178.79 1j6r h ASN 41 N 0.58 0.16 -0.26 0.57 2.35 -1.01 -0.11 115.58 117.87 1j6r h ASN 41 Ca 0.16 0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.94 1j6r h ASN 41 Cb 0.04 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1j6r h ASN 41 CO -0.03 0.05 -0.15 -0.09 -1.65 0.00 0.00 177.43 175.57 1j6r h ARG 42 N 0.36 0.56 -0.62 0.81 2.43 -0.28 0.26 114.38 117.91 1j6r h ARG 42 Ca 0.39 -0.26 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 1j6r h ARG 42 Cb 0.60 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.06 1j6r h ARG 42 CO -0.42 0.83 0.19 0.00 -1.51 0.00 0.00 179.97 179.05 1j6r h ALA 43 N 0.72 0.79 -0.15 2.80 0.00 -0.20 0.55 119.26 123.77 1j6r h ALA 43 Ca 0.05 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 1j6r h ALA 43 Cb 0.67 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1j6r h ALA 43 CO 0.04 -0.25 -0.64 -0.92 0.00 0.00 0.00 179.25 177.48 1j6r h TYR 44 N 0.34 0.73 -0.40 0.00 3.20 -0.80 -1.00 116.97 119.05 1j6r h TYR 44 Ca 0.32 -0.29 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 1j6r h TYR 44 Cb 0.45 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1j6r h TYR 44 CO -0.20 1.05 -0.16 0.93 -1.64 0.00 0.00 178.16 178.14 1j6r h GLU 45 N 0.41 0.75 0.00 1.82 4.39 0.29 -0.70 114.58 121.54 1j6r h GLU 45 Ca -0.01 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 1j6r h GLU 45 Cb 1.22 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1j6r h GLU 45 CO 0.12 0.87 -0.00 0.93 -1.16 0.00 0.00 179.01 179.76 1j6r h GLU 46 N 0.67 -0.01 -0.92 2.33 4.39 0.35 -2.43 114.58 118.96 1j6r h GLU 46 Ca 0.10 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.96 1j6r h GLU 46 Cb 0.65 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.20 1j6r h GLU 46 CO 0.05 0.39 0.52 1.25 -1.16 0.00 0.00 179.01 180.06 1j6r h LEU 47 N -0.40 0.68 -1.06 1.33 5.85 -1.09 -0.72 115.31 119.89 1j6r h LEU 47 Ca -0.00 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1j6r h LEU 47 Cb 0.40 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1j6r h LEU 47 CO 0.00 0.29 0.02 -0.07 -0.34 0.00 0.00 178.44 178.35 1j6r h LEU 48 N 0.74 0.66 -0.48 2.25 3.38 -0.95 -0.57 115.31 120.34 1j6r h LEU 48 Ca 0.50 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 1j6r h LEU 48 Cb 0.68 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1j6r h LEU 48 CO -0.35 0.71 -0.39 -0.78 0.09 0.00 0.00 178.44 177.73 1j6r h ASP 49 N 0.66 0.89 0.39 -0.43 1.82 -0.68 -3.35 116.42 115.71 1j6r h ASP 49 Ca 0.14 -0.40 -0.22 0.00 -0.39 0.00 0.00 57.03 56.15 1j6r h ASP 49 Cb 0.38 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 1j6r h ASP 49 CO 0.01 1.17 -1.79 0.00 -1.61 0.00 0.00 179.24 177.01 1j6r n ALA 50 N -2.53 1.85 -1.80 -0.78 0.00 -0.55 -4.96 120.51 111.74 1j6r n ALA 50 Ca -0.02 -0.79 -0.40 0.00 0.00 0.00 0.00 53.44 52.23 1j6r n ALA 50 Cb 0.54 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 1j6r n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j6r s ALA 51 N -2.82 3.40 -0.51 0.00 0.00 -0.24 -4.22 121.76 117.36 1j6r s ALA 51 Ca -0.06 0.86 0.05 0.00 0.00 0.00 0.00 51.96 52.81 1j6r s ALA 51 Cb 0.08 -3.32 0.18 0.00 0.00 0.00 0.00 23.12 20.06 1j6r s ALA 51 CO 0.83 -0.13 0.42 1.63 0.00 0.00 0.00 175.76 178.51 1j6r n LYS 52 N 1.37 0.84 -1.72 0.00 5.02 -0.05 -4.74 118.16 118.88 1j6r n LYS 52 Ca -0.01 -3.65 -0.42 0.00 -2.02 0.00 0.00 58.31 52.21 1j6r n LYS 52 Cb 0.45 -1.86 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1j6r n LYS 52 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1j6r s PRO 53 N -0.62 4.14 -0.02 1.97 0.02 -1.25 -4.23 135.00 135.00 1j6r s PRO 53 Ca 0.31 2.59 0.01 0.00 0.02 0.00 0.00 61.00 63.93 1j6r s PRO 53 Cb 0.03 -3.60 0.01 0.00 0.02 0.00 0.00 34.50 30.96 1j6r s PRO 53 CO -0.18 -0.84 -0.04 0.08 -0.33 0.00 0.00 177.00 175.69 1j6r s VAL 54 N 2.77 0.43 -0.10 3.83 1.01 -0.63 -1.46 120.40 126.24 1j6r s VAL 54 Ca 0.81 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1j6r s VAL 54 Cb -0.46 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1j6r s VAL 54 CO 0.36 0.17 -0.19 -0.69 0.00 0.00 0.00 175.10 174.75 1j6r s VAL 55 N 0.49 1.76 0.16 2.92 1.01 -0.70 -1.27 120.40 124.76 1j6r s VAL 55 Ca -0.06 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.21 1j6r s VAL 55 Cb -0.09 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1j6r s VAL 55 CO -0.00 0.49 -0.25 -0.76 0.00 0.00 0.00 175.10 174.58 1j6r s LEU 56 N 0.62 2.37 0.27 3.92 1.02 0.00 -1.44 118.68 125.44 1j6r s LEU 56 Ca -0.13 -0.80 -0.04 0.00 0.02 0.00 0.00 54.13 53.17 1j6r s LEU 56 Cb -0.16 -1.17 -0.02 0.00 0.02 0.00 0.00 46.19 44.86 1j6r s LEU 56 CO 0.04 0.14 0.35 -1.66 0.02 0.00 0.00 176.35 175.24 1j6r s TRP 57 N -1.35 0.95 -0.24 0.29 -2.14 -0.89 -1.04 118.94 114.53 1j6r s TRP 57 Ca 0.17 -1.19 -0.12 0.00 2.66 0.00 0.00 56.10 57.61 1j6r s TRP 57 Cb -0.09 -0.22 0.08 0.00 -3.10 0.00 0.00 33.47 30.14 1j6r s TRP 57 CO 0.08 -0.91 0.57 0.50 -2.66 0.00 0.00 176.95 174.53 1j6r s ARG 58 N -3.74 0.56 -0.11 3.25 3.52 -0.78 -3.72 118.95 117.93 1j6r s ARG 58 Ca 0.32 1.08 -0.11 0.00 -0.13 0.00 0.00 55.73 56.89 1j6r s ARG 58 Cb 0.02 0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.52 1j6r s ARG 58 CO 0.15 -0.16 0.24 -0.51 -0.81 0.00 0.00 175.30 174.20 1j6r s ASP 59 N 1.72 6.47 -0.08 -2.12 -0.00 -1.26 -1.52 116.67 119.88 1j6r s ASP 59 Ca -0.09 0.56 0.04 0.00 -0.00 0.00 0.00 52.55 53.07 1j6r s ASP 59 Cb -0.07 -2.14 -0.01 0.00 -0.00 0.00 0.00 42.92 40.70 1j6r s ASP 59 CO -0.17 0.29 -0.22 -0.36 -0.00 0.00 0.00 175.17 174.71 1j6r s PHE 60 N -0.52 2.54 -0.29 4.23 0.40 -0.83 -5.01 117.98 118.50 1j6r s PHE 60 Ca 0.16 -0.75 -0.25 0.00 -0.60 0.00 0.00 56.93 55.49 1j6r s PHE 60 Cb -0.13 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.74 1j6r s PHE 60 CO 0.05 -0.23 0.89 -1.21 0.70 0.00 0.00 175.22 175.42 1j6r s GLU 61 N -0.01 4.06 0.00 0.44 2.02 -1.26 -2.16 118.70 121.79 1j6r s GLU 61 Ca -0.07 0.84 0.00 0.00 0.02 0.00 0.00 54.97 55.76 1j6r s GLU 61 Cb -0.15 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.38 1j6r s GLU 61 CO 0.05 -0.70 0.00 1.33 0.02 0.00 0.00 175.26 175.96 1j6r n VAL 62 N 5.54 0.00 -2.10 2.63 0.24 -0.35 -5.01 118.33 119.27 1j6r n VAL 62 Ca 0.07 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.32 1j6r n VAL 62 Cb 0.48 0.04 0.01 0.00 -1.47 0.00 0.00 33.84 32.89 1j6r n VAL 62 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1j6r n ASP 63 N -1.09 -3.53 0.00 -1.34 -0.08 -1.08 -2.97 116.55 106.45 1j6r n ASP 63 Ca 0.00 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1j6r n ASP 63 Cb 0.09 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 42.67 1j6r n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j6r n GLY 64 N 0.70 1.52 3.77 0.27 0.00 0.41 -4.89 105.19 106.97 1j6r n GLY 64 Ca -0.01 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1j6r n GLY 64 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j6r s SER 65 N 0.00 4.79 -0.28 1.61 0.15 -1.16 -3.24 113.70 115.58 1j6r s SER 65 Ca 0.00 1.87 0.09 0.00 0.70 0.00 0.00 55.95 58.61 1j6r s SER 65 Cb 0.00 -2.53 0.46 0.00 -1.71 0.00 0.00 66.02 62.24 1j6r s SER 65 CO 0.00 -1.84 1.34 0.18 1.20 0.00 0.00 173.24 174.12 1j6r n LEU 66 N -3.08 3.91 -3.84 3.45 4.77 -1.26 -4.86 117.00 116.08 1j6r n LEU 66 Ca 0.09 -4.05 -0.12 0.00 -0.03 0.00 0.00 56.01 51.90 1j6r n LEU 66 Cb 0.53 -0.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.93 1j6r n LEU 66 CO 0.51 1.50 -0.26 -0.94 -1.33 0.00 0.00 177.39 176.88 1j6r s SER 67 N -2.99 -0.08 0.00 -1.43 1.04 -1.26 -0.93 113.70 108.05 1j6r s SER 67 Ca 0.44 0.15 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1j6r s SER 67 Cb 0.40 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1j6r s SER 67 CO -0.02 -0.05 0.00 2.22 0.98 0.00 0.00 173.24 176.37 1j6r n PHE 68 N 2.93 0.00 -1.61 5.02 1.16 -0.81 -5.00 117.46 119.15 1j6r n PHE 68 Ca -0.13 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.15 1j6r n PHE 68 Cb 0.59 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.42 1j6r n PHE 68 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1j6r s ASP 69 N 1.59 4.35 0.00 5.98 -1.08 -1.26 -3.23 116.67 123.02 1j6r s ASP 69 Ca 0.00 0.69 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 1j6r s ASP 69 Cb 0.00 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1j6r s ASP 69 CO 0.00 -3.13 0.00 -0.67 0.52 0.00 0.00 175.17 171.89 1j6r n ASP 70 N 16.45 -3.35 -4.20 -0.34 2.03 -1.26 -4.95 116.55 120.92 1j6r n ASP 70 Ca 0.39 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.58 1j6r n ASP 70 Cb 0.51 -2.45 -0.10 0.00 -0.72 0.00 0.00 41.12 38.36 1j6r n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j6r s MET 71 N -1.24 0.93 -0.12 -0.67 0.23 -1.20 -5.07 119.30 112.16 1j6r s MET 71 Ca 0.00 -1.39 -0.04 0.00 -1.03 0.00 0.00 55.69 53.23 1j6r s MET 71 Cb 0.00 -0.34 0.06 0.00 -1.53 0.00 0.00 34.83 33.02 1j6r s MET 71 CO 0.00 0.00 0.21 0.50 -2.03 0.00 0.00 175.02 173.70 1j6r s ARG 72 N -3.81 0.10 -0.09 3.16 3.52 -1.26 -1.93 118.95 118.64 1j6r s ARG 72 Ca 0.14 0.56 -0.27 0.00 -0.13 0.00 0.00 55.73 56.03 1j6r s ARG 72 Cb 0.04 -0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.04 1j6r s ARG 72 CO -0.02 -0.37 0.87 -0.51 -0.81 0.00 0.00 175.30 174.46 1j6r s LEU 73 N 2.34 4.27 -0.14 -0.88 1.43 -0.10 -4.96 118.68 120.64 1j6r s LEU 73 Ca 0.03 1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1j6r s LEU 73 Cb -0.13 -3.35 -0.08 0.00 0.03 0.00 0.00 46.19 42.66 1j6r s LEU 73 CO -0.08 -0.31 -0.14 0.41 0.23 0.00 0.00 176.35 176.46 1j6r n THR 74 N 4.25 0.78 -0.38 5.49 -1.04 -1.26 -4.92 114.28 117.20 1j6r n THR 74 Ca 0.04 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.05 61.67 1j6r n THR 74 Cb 0.50 -1.21 0.11 0.00 -1.82 0.00 0.00 70.33 67.91 1j6r n THR 74 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j6r n GLY 75 N 2.61 -3.23 0.06 3.41 0.00 -1.25 -4.90 105.19 101.89 1j6r n GLY 75 Ca -0.25 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 1j6r n GLY 75 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j6r h GLU 76 N 0.00 0.01 -0.47 1.61 5.08 -1.98 -3.28 114.58 115.55 1j6r h GLU 76 Ca -0.16 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1j6r h GLU 76 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1j6r h GLU 76 CO 0.10 0.99 0.24 1.25 -1.00 0.00 0.00 179.01 180.58 1j6r h LEU 77 N 0.00 0.60 -0.46 1.33 5.85 -1.92 -2.30 115.31 118.41 1j6r h LEU 77 Ca -0.02 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1j6r h LEU 77 Cb 1.78 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.58 1j6r h LEU 77 CO 0.13 0.55 -0.06 0.00 -0.34 0.00 0.00 178.44 178.72 1j6r h ALA 78 N 1.08 0.37 -0.29 1.25 0.00 -1.92 -2.63 119.26 117.11 1j6r h ALA 78 Ca 0.16 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1j6r h ALA 78 Cb 0.10 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1j6r h ALA 78 CO -0.02 -0.42 0.02 1.15 0.00 0.00 0.00 179.25 179.97 1j6r h THR 79 N 0.05 1.25 -0.52 0.00 2.02 -1.57 0.16 112.91 114.30 1j6r h THR 79 Ca 0.23 -0.89 0.09 0.00 0.77 0.00 0.00 66.41 66.61 1j6r h THR 79 Cb 0.35 1.26 -0.07 0.00 -1.74 0.00 0.00 68.15 67.94 1j6r h THR 79 CO -0.43 0.29 0.11 0.50 0.37 0.00 0.00 175.52 176.35 1j6r h LYS 80 N 0.31 0.24 0.02 6.66 1.63 -1.08 -3.06 116.57 121.28 1j6r h LYS 80 Ca 0.08 -0.01 -0.38 0.00 -0.85 0.00 0.00 60.65 59.49 1j6r h LYS 80 Cb 0.40 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.92 1j6r h LYS 80 CO 0.01 0.16 -2.39 0.72 -3.45 0.00 0.00 179.45 174.49 1j6r n HIS 81 N -5.12 0.20 0.29 1.91 8.25 -1.02 -4.69 115.22 115.04 1j6r n HIS 81 Ca 0.06 0.04 0.11 0.00 -0.26 0.00 0.00 57.72 57.68 1j6r n HIS 81 Cb 0.26 -1.03 -0.14 0.00 1.12 0.00 0.00 29.99 30.20 1j6r n HIS 81 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1j6r n LEU 82 N -3.26 0.31 -4.79 2.41 4.77 0.55 -4.79 117.00 112.21 1j6r n LEU 82 Ca -0.43 -0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 55.09 1j6r n LEU 82 Cb 1.01 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 42.10 1j6r n LEU 82 CO 0.30 0.06 0.74 -0.94 -1.33 0.00 0.00 177.39 176.22 1j6r s SER 83 N -4.11 5.69 -0.96 -1.43 1.04 -1.15 -3.89 113.70 108.90 1j6r s SER 83 Ca -0.03 1.95 -0.01 0.00 0.48 0.00 0.00 55.95 58.34 1j6r s SER 83 Cb 0.14 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 1j6r s SER 83 CO 0.89 -1.23 0.80 0.61 0.98 0.00 0.00 173.24 175.29 1j6r n GLY 84 N -0.53 -0.28 3.05 7.32 0.00 -1.20 -5.00 105.19 108.56 1j6r n GLY 84 Ca 0.10 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 1j6r n GLY 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j6r s SER 85 N -4.00 1.03 0.03 1.61 1.04 -1.25 -4.79 113.70 107.36 1j6r s SER 85 Ca 0.05 -0.36 -0.13 0.00 0.48 0.00 0.00 55.95 55.98 1j6r s SER 85 Cb -0.01 -0.04 -0.34 0.00 0.10 0.00 0.00 66.02 65.73 1j6r s SER 85 CO 0.59 -0.04 0.97 0.50 0.98 0.00 0.00 173.24 176.25 1j6r h LYS 86 N 5.16 0.47 -5.32 4.02 1.63 -1.54 0.12 116.57 121.10 1j6r h LYS 86 Ca -0.34 -0.80 -0.49 0.00 -0.85 0.00 0.00 60.65 58.18 1j6r h LYS 86 Cb 1.19 0.30 -0.29 0.00 -0.60 0.00 0.00 32.23 32.83 1j6r h LYS 86 CO 0.45 1.38 -0.81 0.42 -3.45 0.00 0.00 179.45 177.44 1j6r s ILE 87 N -2.61 1.13 -0.16 2.00 1.01 -1.14 -1.22 121.20 120.22 1j6r s ILE 87 Ca -0.09 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1j6r s ILE 87 Cb 0.05 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1j6r s ILE 87 CO 0.92 0.29 -0.19 -0.63 0.00 0.00 0.00 174.94 175.33 1j6r s ILE 88 N -0.39 2.30 -0.09 2.92 1.01 -0.92 -0.69 121.20 125.35 1j6r s ILE 88 Ca 0.05 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 1j6r s ILE 88 Cb -0.06 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 1j6r s ILE 88 CO -0.00 0.53 0.36 -0.89 0.00 0.00 0.00 174.94 174.94 1j6r s THR 89 N 0.95 5.19 -0.19 2.92 2.01 0.32 -1.97 115.64 124.88 1j6r s THR 89 Ca -0.03 0.71 -0.07 0.00 0.31 0.00 0.00 61.69 62.61 1j6r s THR 89 Cb -0.15 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1j6r s THR 89 CO -0.04 0.47 0.06 0.54 -0.69 0.00 0.00 174.62 174.96 1j6r s VAL 90 N -0.23 4.75 0.04 3.82 0.11 -0.57 -1.22 120.40 127.10 1j6r s VAL 90 Ca 0.21 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 1j6r s VAL 90 Cb -0.15 -3.15 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 1j6r s VAL 90 CO 0.09 0.45 0.00 -0.36 -3.33 0.00 0.00 175.10 171.95 1j6r s PHE 91 N 0.48 3.03 -0.07 1.54 0.40 0.34 -1.86 117.98 121.85 1j6r s PHE 91 Ca 0.03 0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 1j6r s PHE 91 Cb -0.13 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.81 1j6r s PHE 91 CO 0.01 0.47 -0.09 -1.17 0.70 0.00 0.00 175.22 175.14 1j6r s LEU 92 N -1.89 1.42 -0.03 -0.37 2.96 -0.21 -2.53 118.68 118.04 1j6r s LEU 92 Ca 0.22 -0.25 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1j6r s LEU 92 Cb -0.12 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 45.85 1j6r s LEU 92 CO 0.14 -0.03 -0.19 0.00 -1.32 0.00 0.00 176.35 174.94 1j6r s ALA 93 N 1.01 1.65 0.05 5.97 0.00 -0.48 -0.82 121.76 129.14 1j6r s ALA 93 Ca -0.09 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 1j6r s ALA 93 Cb -0.15 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1j6r s ALA 93 CO -0.00 0.37 0.24 -0.08 0.00 0.00 0.00 175.76 176.29 1j6r s THR 94 N -0.30 0.10 -1.51 0.00 -1.32 -0.40 -1.16 115.64 111.06 1j6r s THR 94 Ca 0.04 -0.83 0.17 0.00 -1.21 0.00 0.00 61.69 59.85 1j6r s THR 94 Cb -0.09 -0.97 -0.01 0.00 -1.51 0.00 0.00 72.50 69.92 1j6r s THR 94 CO 0.00 -0.46 0.88 0.18 -2.21 0.00 0.00 174.62 173.01 1j6r n LEU 95 N 0.56 1.63 0.00 9.08 4.77 -0.91 -1.61 117.00 130.52 1j6r n LEU 95 Ca -0.18 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1j6r n LEU 95 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1j6r n LEU 95 CO 0.22 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1j6r n GLY 96 N 1.20 0.01 0.14 -0.72 0.00 -1.26 -0.87 105.19 103.69 1j6r n GLY 96 Ca 0.07 -1.81 0.03 0.00 0.00 0.00 0.00 46.02 44.31 1j6r n GLY 96 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j6r h LYS 97 N 0.00 0.00 0.00 1.61 2.10 -1.92 -3.20 116.57 115.16 1j6r h LYS 97 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1j6r h LYS 97 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1j6r h LYS 97 CO 0.00 0.48 -0.01 0.87 -2.00 0.00 0.00 179.45 178.79 1j6r h LYS 98 N 0.00 0.00 -0.23 0.07 1.57 -1.86 -1.85 116.57 114.27 1j6r h LYS 98 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1j6r h LYS 98 Cb 1.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 1j6r h LYS 98 CO 0.06 0.01 0.06 0.28 -0.57 0.00 0.00 179.45 179.29 1j6r h VAL 99 N 0.00 1.20 -0.84 0.50 2.07 -1.72 -1.72 116.25 115.74 1j6r h VAL 99 Ca -0.00 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.93 1j6r h VAL 99 Cb 0.01 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1j6r h VAL 99 CO 0.00 0.21 0.52 0.44 0.02 0.00 0.00 177.57 178.76 1j6r h ASP 100 N 0.19 0.83 0.01 0.57 5.19 -1.52 -1.77 116.42 119.91 1j6r h ASP 100 Ca 0.07 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.37 1j6r h ASP 100 Cb 0.26 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1j6r h ASP 100 CO -0.00 0.54 -0.41 -0.33 -3.12 0.00 0.00 179.24 175.92 1j6r h GLU 101 N 0.97 0.51 -0.25 3.56 5.08 -1.20 -1.81 114.58 121.43 1j6r h GLU 101 Ca 0.36 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 1j6r h GLU 101 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1j6r h GLU 101 CO -0.16 0.83 -0.42 -0.22 -1.00 0.00 0.00 179.01 178.04 1j6r h LYS 102 N 0.42 0.73 -0.10 2.33 1.63 -0.86 0.04 116.57 120.76 1j6r h LYS 102 Ca 0.04 -0.45 0.03 0.00 -0.85 0.00 0.00 60.65 59.42 1j6r h LYS 102 Cb 0.90 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.54 1j6r h LYS 102 CO 0.08 1.07 -0.10 0.82 -3.45 0.00 0.00 179.45 177.86 1j6r h ILE 103 N 0.46 0.71 -0.77 2.00 2.04 -1.24 -2.29 117.51 118.42 1j6r h ILE 103 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1j6r h ILE 103 Cb 1.01 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1j6r h ILE 103 CO 0.09 0.00 0.44 -0.08 0.00 0.00 0.00 178.15 178.61 1j6r h GLU 104 N -0.13 1.07 -0.95 2.37 4.57 -1.26 -2.02 114.58 118.23 1j6r h GLU 104 Ca 0.07 -0.11 0.16 0.00 -1.18 0.00 0.00 59.36 58.30 1j6r h GLU 104 Cb 0.24 -0.22 -0.10 0.00 -0.16 0.00 0.00 28.75 28.51 1j6r h GLU 104 CO -0.18 0.78 0.55 1.49 -1.18 0.00 0.00 179.01 180.47 1j6r h GLU 105 N 1.07 0.74 0.06 1.92 4.81 -0.67 -0.59 114.58 121.92 1j6r h GLU 105 Ca 0.27 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 59.22 1j6r h GLU 105 Cb 0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1j6r h GLU 105 CO -0.05 0.49 -1.13 1.88 -0.73 0.00 0.00 179.01 179.47 1j6r h TYR 106 N 0.76 0.23 -0.91 0.92 -1.99 -0.82 -2.31 116.97 112.85 1j6r h TYR 106 Ca 0.52 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 61.08 1j6r h TYR 106 Cb 0.72 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.40 1j6r h TYR 106 CO -0.04 1.13 0.54 0.74 -0.00 0.00 0.00 178.16 180.54 1j6r h PHE 107 N 0.03 1.20 -0.22 4.88 0.05 -1.06 0.75 116.94 122.57 1j6r h PHE 107 Ca -0.07 -0.01 -0.07 0.00 3.82 0.00 0.00 57.97 61.64 1j6r h PHE 107 Cb 1.87 -0.39 -0.01 0.00 2.00 0.00 0.00 35.95 39.41 1j6r h PHE 107 CO 0.03 0.80 -0.16 0.00 -0.18 0.00 0.00 178.31 178.80 1j6r h ARG 108 N 1.25 0.37 -0.01 1.51 3.08 -0.94 -1.32 114.38 118.31 1j6r h ARG 108 Ca 0.32 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1j6r h ARG 108 Cb -0.04 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1j6r h ARG 108 CO -0.06 0.52 0.00 1.63 -1.07 0.00 0.00 179.97 180.99 1j6r n LYS 109 N -4.21 1.30 -1.40 0.04 5.02 -0.89 -4.92 118.16 113.10 1j6r n LYS 109 Ca -0.00 -0.44 -0.09 0.00 -2.02 0.00 0.00 58.31 55.76 1j6r n LYS 109 Cb 0.32 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 1j6r n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j6r n GLY 110 N 1.06 0.90 3.08 0.72 0.00 -0.50 -4.95 105.19 105.50 1j6r n GLY 110 Ca 0.21 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1j6r n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j6r n GLU 111 N -2.61 4.13 0.16 1.61 1.02 0.19 -4.85 120.64 120.30 1j6r n GLU 111 Ca -0.09 -4.38 0.01 0.00 -0.02 0.00 0.00 57.16 52.68 1j6r n GLU 111 Cb 0.34 -2.59 0.24 0.00 -0.02 0.00 0.00 31.44 29.40 1j6r n GLU 111 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1j6r h ASP 112 N 5.80 0.00 0.10 1.62 3.32 -1.90 -1.86 116.42 123.51 1j6r h ASP 112 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1j6r h ASP 112 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1j6r h ASP 112 CO 1.30 0.52 -0.05 0.25 -1.72 0.00 0.00 179.24 179.54 1j6r h LEU 113 N 0.00 -0.12 -0.66 1.55 6.46 -1.95 -1.35 115.31 119.24 1j6r h LEU 113 Ca -0.01 -0.40 0.14 0.00 -0.12 0.00 0.00 57.88 57.49 1j6r h LEU 113 Cb 1.01 0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 40.87 1j6r h LEU 113 CO 0.07 0.38 0.10 0.25 -0.62 0.00 0.00 178.44 178.62 1j6r h LEU 114 N -0.66 -0.09 -1.70 2.25 6.46 -1.95 0.14 115.31 119.76 1j6r h LEU 114 Ca -0.01 0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1j6r h LEU 114 Cb 0.51 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1j6r h LEU 114 CO 0.02 -0.05 -0.17 0.00 -0.62 0.00 0.00 178.44 177.62 1j6r h ALA 115 N 1.56 1.63 -0.04 1.25 0.00 -1.19 -1.03 119.26 121.44 1j6r h ALA 115 Ca 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1j6r h ALA 115 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j6r h ALA 115 CO -0.49 0.21 -0.09 0.35 0.00 0.00 0.00 179.25 179.23 1j6r h PHE 116 N 0.00 0.17 -0.42 0.00 3.57 0.12 -0.16 116.94 120.21 1j6r h PHE 116 Ca -0.00 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.52 1j6r h PHE 116 Cb 0.32 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 1j6r h PHE 116 CO 0.00 0.69 -0.04 0.74 -2.23 0.00 0.00 178.31 177.47 1j6r h PHE 117 N -0.41 -0.11 -0.29 0.41 0.05 -0.52 -2.35 116.94 113.73 1j6r h PHE 117 Ca -0.00 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 1j6r h PHE 117 Cb 0.69 0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.74 1j6r h PHE 117 CO 0.13 -0.13 0.14 0.82 -0.18 0.00 0.00 178.31 179.09 1j6r h ILE 118 N 0.06 1.15 -0.06 -0.55 2.04 -1.11 -0.84 117.51 118.21 1j6r h ILE 118 Ca 0.21 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1j6r h ILE 118 Cb 0.31 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1j6r h ILE 118 CO -0.39 0.15 -0.01 -0.78 0.00 0.00 0.00 178.15 177.12 1j6r h ASP 119 N 0.33 0.07 0.18 1.72 3.58 -0.90 -1.55 116.42 119.85 1j6r h ASP 119 Ca 0.10 -0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.20 1j6r h ASP 119 Cb 0.11 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.15 1j6r h ASP 119 CO -0.01 0.09 -1.70 1.23 -2.88 0.00 0.00 179.24 175.97 1j6r h GLY 120 N 0.20 0.44 1.95 -0.78 0.00 -0.85 -2.07 103.07 101.95 1j6r h GLY 120 Ca 0.02 -1.11 -0.03 0.00 0.00 0.00 0.00 47.33 46.21 1j6r h GLY 120 CO 0.00 0.98 -0.09 -2.22 0.00 0.00 0.00 176.54 175.20 1j6r h ILE 121 N 0.05 1.10 0.01 2.60 2.04 -1.07 -2.96 117.51 119.28 1j6r h ILE 121 Ca -0.34 -0.44 -0.25 0.00 1.00 0.00 0.00 64.86 64.84 1j6r h ILE 121 Cb 2.06 1.17 0.02 0.00 -0.74 0.00 0.00 36.82 39.32 1j6r h ILE 121 CO 0.16 0.13 -0.97 0.00 0.00 0.00 0.00 178.15 177.47 1j6r h ALA 122 N 1.84 0.10 -1.00 1.87 0.00 -1.23 0.38 119.26 121.23 1j6r h ALA 122 Ca 0.02 -0.68 0.07 0.00 0.00 0.00 0.00 54.91 54.32 1j6r h ALA 122 Cb 0.21 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1j6r h ALA 122 CO 0.01 0.62 0.64 0.77 0.00 0.00 0.00 179.25 181.29 1j6r h SER 123 N 0.28 1.02 0.83 0.00 0.02 -1.32 -2.21 113.55 112.16 1j6r h SER 123 Ca -0.13 0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.64 1j6r h SER 123 Cb 1.64 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.96 1j6r h SER 123 CO 0.19 0.64 -0.94 -0.33 -1.14 0.00 0.00 176.83 175.25 1j6r h GLU 124 N 1.15 0.06 -0.54 3.45 4.39 -1.45 -3.06 114.58 118.58 1j6r h GLU 124 Ca 0.44 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 60.01 1j6r h GLU 124 Cb 0.20 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1j6r h GLU 124 CO -0.18 0.95 0.16 1.98 -1.16 0.00 0.00 179.01 180.76 1j6r h MET 125 N 0.03 0.85 0.00 2.33 4.05 -0.46 -1.52 114.93 120.20 1j6r h MET 125 Ca -0.03 -0.19 -0.12 0.00 -0.28 0.00 0.00 59.70 59.08 1j6r h MET 125 Cb 1.63 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 32.29 1j6r h MET 125 CO 0.13 0.78 -0.59 -0.24 0.23 0.00 0.00 176.91 177.22 1j6r h VAL 126 N 0.75 1.30 -0.11 -5.77 3.04 -1.50 -0.81 116.25 113.15 1j6r h VAL 126 Ca 0.17 -2.11 -0.02 0.00 -1.01 0.00 0.00 66.70 63.73 1j6r h VAL 126 Cb 0.29 2.17 -0.00 0.00 -2.01 0.00 0.00 31.29 31.74 1j6r h VAL 126 CO -0.00 0.58 -0.02 -0.08 -1.01 0.00 0.00 177.57 177.04 1j6r h GLU 127 N 0.00 0.21 0.00 4.17 4.57 -1.41 -2.63 114.58 119.49 1j6r h GLU 127 Ca -0.01 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1j6r h GLU 127 Cb 1.13 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1j6r h GLU 127 CO 0.08 0.50 0.00 1.88 -1.18 0.00 0.00 179.01 180.29 1j6r h TYR 128 N -0.09 0.00 -0.11 0.92 -1.99 -1.20 -0.73 116.97 113.77 1j6r h TYR 128 Ca 0.03 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 1j6r h TYR 128 Cb 0.42 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.14 1j6r h TYR 128 CO 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 178.16 178.21 1j6r h ALA 129 N 2.17 0.14 -0.51 3.88 0.00 -1.13 -1.51 119.26 122.31 1j6r h ALA 129 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1j6r h ALA 129 Cb 0.80 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1j6r h ALA 129 CO 0.00 -0.18 0.33 1.25 0.00 0.00 0.00 179.25 180.65 1j6r h LEU 130 N -0.07 0.59 -0.89 0.00 5.85 -1.08 -2.84 115.31 116.87 1j6r h LEU 130 Ca 0.03 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1j6r h LEU 130 Cb 0.33 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1j6r h LEU 130 CO 0.00 0.44 0.56 0.03 -0.34 0.00 0.00 178.44 179.13 1j6r h ARG 131 N 0.69 1.19 -0.79 1.25 3.08 -1.15 0.14 114.38 118.79 1j6r h ARG 131 Ca 0.19 -0.09 0.15 0.00 0.07 0.00 0.00 59.98 60.29 1j6r h ARG 131 Cb -0.06 -0.26 -0.10 0.00 0.08 0.00 0.00 29.97 29.63 1j6r h ARG 131 CO -0.04 0.82 0.34 -0.22 -1.07 0.00 0.00 179.97 179.80 1j6r h LYS 132 N 1.21 0.46 0.17 0.04 3.64 -1.03 -0.75 116.57 120.32 1j6r h LYS 132 Ca 0.32 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.35 1j6r h LYS 132 Cb -0.09 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1j6r h LYS 132 CO -0.06 0.31 -1.57 0.28 -2.27 0.00 0.00 179.45 176.14 1j6r h VAL 133 N 0.48 1.14 -0.57 2.00 2.07 -1.28 -2.59 116.25 117.50 1j6r h VAL 133 Ca 0.44 -2.71 0.10 0.00 0.82 0.00 0.00 66.70 65.35 1j6r h VAL 133 Cb 0.68 2.83 -0.08 0.00 -1.52 0.00 0.00 31.29 33.21 1j6r h VAL 133 CO -0.41 0.84 0.15 -0.78 0.02 0.00 0.00 177.57 177.38 1j6r h ASP 134 N 0.10 0.06 -0.40 0.57 3.58 -0.83 -1.12 116.42 118.38 1j6r h ASP 134 Ca -0.27 0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.25 1j6r h ASP 134 Cb 2.07 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 43.22 1j6r h ASP 134 CO 0.19 0.05 0.13 0.00 -2.88 0.00 0.00 179.24 176.73 1j6r h ALA 135 N 1.44 0.53 -0.70 -0.78 0.00 -1.13 -1.75 119.26 116.87 1j6r h ALA 135 Ca 0.30 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1j6r h ALA 135 Cb 0.41 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1j6r h ALA 135 CO -0.36 0.17 0.38 0.93 0.00 0.00 0.00 179.25 180.37 1j6r h GLU 136 N 0.51 0.67 -0.47 0.00 4.39 -1.00 -0.56 114.58 118.12 1j6r h GLU 136 Ca 0.13 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 1j6r h GLU 136 Cb 0.25 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1j6r h GLU 136 CO -0.01 0.44 0.02 -0.07 -1.16 0.00 0.00 179.01 178.24 1j6r h LEU 137 N 0.69 0.73 -0.13 1.33 3.38 -0.94 -1.77 115.31 118.60 1j6r h LEU 137 Ca 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1j6r h LEU 137 Cb 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1j6r h LEU 137 CO -0.21 0.79 0.05 0.03 0.09 0.00 0.00 178.44 179.19 1j6r h ARG 138 N 0.72 0.20 -0.70 1.13 3.08 -0.40 -2.29 114.38 116.12 1j6r h ARG 138 Ca 0.15 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1j6r h ARG 138 Cb 0.42 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1j6r h ARG 138 CO 0.02 0.30 0.26 0.52 -1.07 0.00 0.00 179.97 180.00 1j6r h MET 139 N 0.05 1.04 -0.56 0.04 2.86 -0.93 -2.96 114.93 114.48 1j6r h MET 139 Ca 0.04 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1j6r h MET 139 Cb 0.18 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1j6r h MET 139 CO -0.00 0.86 0.21 0.87 1.06 0.00 0.00 176.91 179.91 1j6r h LYS 140 N 1.02 0.84 -3.12 1.72 1.57 -1.29 -3.37 116.57 113.93 1j6r h LYS 140 Ca 0.23 -0.16 -0.78 0.00 -1.87 0.00 0.00 60.65 58.08 1j6r h LYS 140 Cb 0.22 -0.13 -0.20 0.00 0.08 0.00 0.00 32.23 32.20 1j6r h LYS 140 CO -0.02 0.74 1.61 0.54 -0.57 0.00 0.00 179.45 181.75 1j6r n ARG 141 N -4.49 4.14 -0.02 3.15 1.74 -0.87 -4.76 116.66 115.55 1j6r n ARG 141 Ca 0.03 -3.92 -0.01 0.00 -0.77 0.00 0.00 57.85 53.17 1j6r n ARG 141 Cb 0.17 -2.73 0.27 0.00 -1.02 0.00 0.00 32.46 29.15 1j6r n ARG 141 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1j6r h SER 142 N 5.40 0.54 0.00 0.55 0.02 -1.75 -2.46 113.55 115.85 1j6r h SER 142 Ca 0.38 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1j6r h SER 142 Cb 0.56 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1j6r h SER 142 CO 1.49 0.62 0.00 -0.46 -1.14 0.00 0.00 176.83 177.34 1j6r n ASN 143 N -4.26 0.00 -4.07 3.07 6.94 -1.26 -4.82 115.26 110.86 1j6r n ASN 143 Ca 0.02 -0.85 -0.07 0.00 -0.02 0.00 0.00 54.58 53.66 1j6r n ASN 143 Cb 0.27 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.58 1j6r n ASN 143 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1j6r s LEU 144 N -1.34 2.45 -0.20 -4.53 1.43 -0.93 -5.03 118.68 110.53 1j6r s LEU 144 Ca 0.08 -0.91 -0.02 0.00 -1.03 0.00 0.00 54.13 52.25 1j6r s LEU 144 Cb 0.04 0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.43 1j6r s LEU 144 CO 0.06 -0.54 -0.11 -1.61 0.23 0.00 0.00 176.35 174.38 1j6r s GLU 145 N -3.49 3.21 0.01 1.70 2.02 -1.05 -4.94 118.70 116.16 1j6r s GLU 145 Ca 0.03 -0.71 -0.23 0.00 0.02 0.00 0.00 54.97 54.08 1j6r s GLU 145 Cb 0.05 -2.81 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 1j6r s GLU 145 CO -0.08 -0.19 0.69 0.20 0.02 0.00 0.00 175.26 175.90 1j6r s GLY 146 N 1.35 2.69 1.35 -1.39 0.00 -1.26 -1.19 107.32 108.89 1j6r s GLY 146 Ca 0.05 0.16 -0.22 0.00 0.00 0.00 0.00 44.72 44.70 1j6r s GLY 146 CO -0.07 0.97 1.00 -1.35 0.00 0.00 0.00 173.10 173.65 1j6r s SER 147 N 0.01 -0.42 0.71 1.64 1.04 0.38 -4.95 113.70 112.11 1j6r s SER 147 Ca 0.35 0.70 -0.15 0.00 0.48 0.00 0.00 55.95 57.33 1j6r s SER 147 Cb -0.19 -0.95 0.03 0.00 0.10 0.00 0.00 66.02 65.00 1j6r s SER 147 CO 0.20 -4.95 1.16 0.12 0.98 0.00 0.00 173.24 170.75 1j6r s PHE 148 N -2.59 2.28 -0.16 5.02 5.36 -1.26 -4.73 117.98 121.90 1j6r s PHE 148 Ca 0.70 1.59 -0.18 0.00 -0.96 0.00 0.00 56.93 58.08 1j6r s PHE 148 Cb -0.10 -3.33 -0.04 0.00 -0.34 0.00 0.00 43.02 39.21 1j6r s PHE 148 CO 0.57 -2.22 0.50 0.50 -1.46 0.00 0.00 175.22 173.11 1j6r s ARG 149 N -4.03 4.26 -0.02 10.12 3.52 -1.26 -4.53 118.95 127.01 1j6r s ARG 149 Ca 0.71 0.43 0.05 0.00 -0.13 0.00 0.00 55.73 56.79 1j6r s ARG 149 Cb -0.25 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 1j6r s ARG 149 CO 0.44 -0.00 -0.16 0.96 -0.81 0.00 0.00 175.30 175.73 1j6r s ILE 150 N 1.16 1.28 0.07 4.11 -4.36 -0.85 -4.94 121.20 117.67 1j6r s ILE 150 Ca 0.25 -0.67 0.03 0.00 -0.26 0.00 0.00 60.65 60.00 1j6r s ILE 150 Cb -0.15 -1.08 -0.04 0.00 1.25 0.00 0.00 42.46 42.44 1j6r s ILE 150 CO 0.10 0.37 0.04 -0.44 0.24 0.00 0.00 174.94 175.24 1j6r s SER 151 N -0.23 5.28 0.22 4.36 0.01 -1.26 -1.00 113.70 121.08 1j6r s SER 151 Ca 0.03 -0.07 -0.31 0.00 1.31 0.00 0.00 55.95 56.91 1j6r s SER 151 Cb -0.08 -1.36 -0.15 0.00 0.21 0.00 0.00 66.02 64.65 1j6r s SER 151 CO 0.00 0.19 1.21 -2.65 0.41 0.00 0.00 173.24 172.40 1j6r n PRO 152 N 0.65 1.49 -0.11 12.44 -0.02 -1.26 -2.44 135.00 145.75 1j6r n PRO 152 Ca -0.10 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1j6r n PRO 152 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1j6r n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j6r n GLY 153 N 1.87 0.80 3.67 -1.23 0.00 0.22 -4.80 105.19 105.72 1j6r n GLY 153 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1j6r n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j6r s TYR 154 N -2.40 3.35 0.00 1.61 1.51 -1.02 -4.90 117.35 115.50 1j6r s TYR 154 Ca 0.00 0.45 0.00 0.00 -1.01 0.00 0.00 57.07 56.51 1j6r s TYR 154 Cb 0.00 -2.41 0.00 0.00 -0.11 0.00 0.00 41.96 39.44 1j6r s TYR 154 CO 0.00 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.88 1j6r n GLY 155 N 4.05 3.32 0.52 0.71 0.00 -1.26 -2.87 105.19 109.66 1j6r n GLY 155 Ca -0.11 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.89 1j6r n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j6r n ASP 156 N 3.72 1.57 -4.63 1.61 8.00 -1.26 -4.85 116.55 120.71 1j6r n ASP 156 Ca 0.00 -1.69 -0.43 0.00 0.71 0.00 0.00 54.79 53.38 1j6r n ASP 156 Cb 0.00 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 1j6r n ASP 156 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1j6r s LEU 157 N -1.57 3.96 0.17 0.64 2.96 -1.14 -3.83 118.68 119.87 1j6r s LEU 157 Ca 0.32 0.90 -0.34 0.00 -0.22 0.00 0.00 54.13 54.80 1j6r s LEU 157 Cb 0.17 -3.42 -0.14 0.00 0.50 0.00 0.00 46.19 43.30 1j6r s LEU 157 CO 0.26 -0.84 1.50 -2.65 -1.32 0.00 0.00 176.35 173.31 1j6r n PRO 158 N 6.75 1.98 0.30 0.98 -0.02 -1.26 -0.61 135.00 143.13 1j6r n PRO 158 Ca 0.10 0.71 0.18 0.00 -2.02 0.00 0.00 63.50 62.47 1j6r n PRO 158 Cb 0.47 -2.44 0.95 0.00 -0.02 0.00 0.00 33.50 32.47 1j6r n PRO 158 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1j6r h LEU 159 N 5.35 0.00 -2.59 2.45 5.85 -1.92 -2.94 115.31 121.50 1j6r h LEU 159 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1j6r h LEU 159 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1j6r h LEU 159 CO 0.84 0.03 0.06 0.77 -0.34 0.00 0.00 178.44 179.81 1j6r h SER 160 N 0.00 0.00 0.47 1.25 4.64 -1.92 -1.77 113.55 116.23 1j6r h SER 160 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1j6r h SER 160 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1j6r h SER 160 CO 0.00 0.00 -0.21 -0.07 -0.87 0.00 0.00 176.83 175.68 1j6r h LEU 161 N 0.00 0.00 -0.88 5.97 3.38 -1.90 -2.30 115.31 119.57 1j6r h LEU 161 Ca 0.00 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1j6r h LEU 161 Cb 0.13 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.77 1j6r h LEU 161 CO 0.00 0.21 0.43 0.78 0.09 0.00 0.00 178.44 179.95 1j6r h ASN 162 N 0.00 0.44 -0.23 -0.43 2.35 -1.57 -0.12 115.58 116.02 1j6r h ASN 162 Ca -0.00 0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1j6r h ASN 162 Cb 0.51 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1j6r h ASN 162 CO 0.03 0.10 -0.00 0.50 -1.65 0.00 0.00 177.43 176.41 1j6r h LYS 163 N 0.51 0.53 -0.04 0.81 3.64 -1.63 -0.66 116.57 119.73 1j6r h LYS 163 Ca 0.52 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.76 1j6r h LYS 163 Cb 0.90 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1j6r h LYS 163 CO -0.45 0.56 -0.09 0.87 -2.27 0.00 0.00 179.45 178.07 1j6r h LYS 164 N 0.51 0.13 -0.72 1.90 1.79 -1.16 -2.97 116.57 116.05 1j6r h LYS 164 Ca 0.11 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 1j6r h LYS 164 Cb 0.34 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 1j6r h LYS 164 CO 0.01 0.68 0.39 0.82 -1.08 0.00 0.00 179.45 180.27 1j6r h ILE 165 N -0.40 1.22 -0.85 1.86 2.04 -1.17 -1.83 117.51 118.39 1j6r h ILE 165 Ca -0.00 -0.57 0.15 0.00 1.00 0.00 0.00 64.86 65.45 1j6r h ILE 165 Cb 0.68 0.29 -0.10 0.00 -0.74 0.00 0.00 36.82 36.95 1j6r h ILE 165 CO 0.02 0.25 0.42 0.00 0.00 0.00 0.00 178.15 178.84 1j6r h ALA 166 N 1.19 1.28 -0.61 1.87 0.00 -1.16 -1.54 119.26 120.29 1j6r h ALA 166 Ca 0.25 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1j6r h ALA 166 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1j6r h ALA 166 CO -0.04 -0.12 0.13 1.49 0.00 0.00 0.00 179.25 180.71 1j6r h GLU 167 N 0.59 0.97 -1.01 0.00 4.57 -1.17 -1.30 114.58 117.24 1j6r h GLU 167 Ca 0.47 -0.22 0.09 0.00 -1.18 0.00 0.00 59.36 58.52 1j6r h GLU 167 Cb 0.69 -0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.07 1j6r h GLU 167 CO -0.38 0.87 0.64 0.82 -1.18 0.00 0.00 179.01 179.79 1j6r h ILE 168 N 0.92 1.01 -0.25 2.32 2.04 -0.96 -3.04 117.51 119.56 1j6r h ILE 168 Ca 0.19 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1j6r h ILE 168 Cb 0.35 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1j6r h ILE 168 CO 0.00 0.20 0.00 0.49 0.00 0.00 0.00 178.15 178.84 1j6r n PHE 169 N -4.55 0.32 -0.34 1.37 3.01 -0.97 -4.69 117.46 111.62 1j6r n PHE 169 Ca 0.17 -0.28 0.20 0.00 1.01 0.00 0.00 57.45 58.55 1j6r n PHE 169 Cb 0.26 -0.01 0.45 0.00 -0.01 0.00 0.00 39.48 40.16 1j6r n PHE 169 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1j6r h LYS 170 N 2.60 0.47 0.00 -1.08 3.64 -1.13 -0.27 116.57 120.81 1j6r h LYS 170 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1j6r h LYS 170 Cb 0.70 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1j6r h LYS 170 CO 0.00 0.31 -0.60 0.93 -2.27 0.00 0.00 179.45 177.82 1j6r h GLU 171 N 0.49 0.00 0.00 1.90 4.39 -1.83 -3.33 114.58 116.20 1j6r h GLU 171 Ca 0.63 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.33 1j6r h GLU 171 Cb 1.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1j6r h GLU 171 CO -0.40 0.00 -1.25 0.39 -1.16 0.00 0.00 179.01 176.59 1j6r n GLU 172 N -2.19 0.42 -3.53 2.33 -0.58 -0.16 -4.99 120.64 111.95 1j6r n GLU 172 Ca 0.03 -0.02 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1j6r n GLU 172 Cb 0.45 -1.62 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 1j6r n GLU 172 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1j6r s VAL 173 N -3.30 0.00 -0.77 2.62 0.11 -0.88 -5.10 120.40 113.09 1j6r s VAL 173 Ca 0.00 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 1j6r s VAL 173 Cb 0.13 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 1j6r s VAL 173 CO 0.83 0.00 1.52 -1.81 -3.33 0.00 0.00 175.10 172.31 1j6r s ASP 174 N -1.15 5.90 -0.18 3.54 1.01 -1.26 -4.52 116.67 120.01 1j6r s ASP 174 Ca -0.10 -0.43 -0.14 0.00 0.71 0.00 0.00 52.55 52.59 1j6r s ASP 174 Cb -0.00 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.43 1j6r s ASP 174 CO 0.09 -2.00 0.46 -0.69 0.21 0.00 0.00 175.17 173.24 1j6r s VAL 175 N 6.86 -0.01 0.29 -1.27 1.01 -1.26 -4.38 120.40 121.64 1j6r s VAL 175 Ca 0.48 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1j6r s VAL 175 Cb -0.08 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1j6r s VAL 175 CO 0.11 0.01 0.28 0.20 0.00 0.00 0.00 175.10 175.70 1j6r s ASN 176 N 0.71 1.02 -0.29 3.32 0.01 -0.31 -4.79 114.94 114.61 1j6r s ASN 176 Ca -0.04 -1.56 0.09 0.00 -0.71 0.00 0.00 52.86 50.64 1j6r s ASN 176 Cb -0.05 0.53 0.47 0.00 0.41 0.00 0.00 41.25 42.60 1j6r s ASN 176 CO -0.05 -1.04 1.18 0.52 -1.51 0.00 0.00 177.10 176.19 1j6r n VAL 177 N -0.50 2.37 0.24 1.60 0.31 -1.26 -0.73 118.33 120.36 1j6r n VAL 177 Ca 0.04 -4.08 0.00 0.00 -0.01 0.00 0.00 64.34 60.30 1j6r n VAL 177 Cb 0.63 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1j6r n VAL 177 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1j6r n ILE 178 N -0.69 0.00 -3.49 2.52 5.41 -1.26 -4.26 119.36 117.59 1j6r n ILE 178 Ca 0.39 0.80 -0.37 0.00 1.00 0.00 0.00 62.75 64.57 1j6r n ILE 178 Cb 0.94 -1.70 -0.06 0.00 -0.71 0.00 0.00 39.64 38.11 1j6r n ILE 178 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1j6r s GLU 179 N -3.29 4.11 0.00 0.38 8.01 -1.26 -4.98 118.70 121.68 1j6r s GLU 179 Ca 0.00 0.28 0.04 0.00 0.01 0.00 0.00 54.97 55.30 1j6r s GLU 179 Cb 0.00 -3.35 0.23 0.00 -4.31 0.00 0.00 34.13 26.71 1j6r s GLU 179 CO 0.00 0.40 0.91 -0.25 0.01 0.00 0.00 175.26 176.34 1j6r n ASP 180 N 2.92 0.00 -1.58 -0.19 8.00 -1.26 -1.25 116.55 123.19 1j6r n ASP 180 Ca -0.12 -1.37 0.09 0.00 0.71 0.00 0.00 54.79 54.10 1j6r n ASP 180 Cb 0.52 0.00 0.35 0.00 -0.02 0.00 0.00 41.12 41.97 1j6r n ASP 180 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1j6r n SER 181 N -0.58 4.70 -2.54 -2.24 3.41 -1.26 -4.96 113.62 110.15 1j6r n SER 181 Ca 0.03 -2.47 -0.20 0.00 -0.26 0.00 0.00 58.87 55.96 1j6r n SER 181 Cb 0.01 -0.58 0.01 0.00 -0.26 0.00 0.00 64.21 63.39 1j6r n SER 181 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1j6r n TYR 182 N 1.04 -1.38 -3.46 7.33 0.53 -0.38 -4.97 117.16 115.87 1j6r n TYR 182 Ca 0.25 0.24 -0.37 0.00 -1.02 0.00 0.00 57.90 56.99 1j6r n TYR 182 Cb 0.89 -4.06 -0.06 0.00 -1.03 0.00 0.00 39.34 35.08 1j6r n TYR 182 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1j6r s VAL 183 N -3.06 5.17 0.21 -0.72 1.01 -1.24 -4.77 120.40 117.01 1j6r s VAL 183 Ca 0.14 0.77 -0.22 0.00 0.00 0.00 0.00 61.98 62.67 1j6r s VAL 183 Cb -0.06 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 1j6r s VAL 183 CO 0.17 0.44 0.77 -0.76 0.00 0.00 0.00 175.10 175.72 1j6r s LEU 184 N -0.08 4.43 -0.04 3.92 1.43 -1.26 -4.17 118.68 122.91 1j6r s LEU 184 Ca 0.22 1.55 0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1j6r s LEU 184 Cb -0.15 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.53 1j6r s LEU 184 CO 0.09 0.08 -0.15 -0.69 0.23 0.00 0.00 176.35 175.92 1j6r s VAL 185 N -1.40 1.23 0.90 -1.59 1.01 0.09 -3.68 120.40 116.95 1j6r s VAL 185 Ca 0.41 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 1j6r s VAL 185 Cb -0.19 -1.06 0.14 0.00 0.00 0.00 0.00 36.38 35.26 1j6r s VAL 185 CO 0.23 0.36 1.15 -2.65 0.00 0.00 0.00 175.10 174.19 1j6r n PRO 186 N 3.21 -0.37 -0.17 2.72 -0.02 -1.26 -1.16 135.00 137.95 1j6r n PRO 186 Ca -0.18 -0.04 -0.05 0.00 -2.02 0.00 0.00 63.50 61.21 1j6r n PRO 186 Cb 0.53 -2.38 0.12 0.00 -0.02 0.00 0.00 33.50 31.75 1j6r n PRO 186 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j6r h ARG 187 N -1.75 0.93 -3.46 -0.52 3.08 -1.88 -3.15 114.38 107.62 1j6r h ARG 187 Ca -0.43 -0.23 -0.73 0.00 0.07 0.00 0.00 59.98 58.65 1j6r h ARG 187 Cb 1.27 -0.12 -0.10 0.00 0.08 0.00 0.00 29.97 31.10 1j6r h ARG 187 CO 0.42 0.87 2.55 1.63 -1.07 0.00 0.00 179.97 184.37 1j6r n LYS 188 N -4.23 3.56 -4.36 0.04 4.76 -1.26 -4.86 118.16 111.81 1j6r n LYS 188 Ca 0.04 -3.15 -0.19 0.00 -2.87 0.00 0.00 58.31 52.15 1j6r n LYS 188 Cb 0.27 -2.97 -0.14 0.00 -1.84 0.00 0.00 35.03 30.35 1j6r n LYS 188 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1j6r s THR 189 N 1.08 0.73 0.01 -0.18 2.01 -1.19 -2.13 115.64 115.96 1j6r s THR 189 Ca 0.46 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 1j6r s THR 189 Cb 0.13 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1j6r s THR 189 CO -0.04 0.17 0.04 -0.63 -0.69 0.00 0.00 174.62 173.46 1j6r s ILE 190 N -0.29 0.09 0.12 1.82 1.01 -0.31 -4.91 121.20 118.72 1j6r s ILE 190 Ca 0.03 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.03 1j6r s ILE 190 Cb -0.04 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 1j6r s ILE 190 CO -0.00 -0.39 -0.15 -0.89 0.00 0.00 0.00 174.94 173.51 1j6r s THR 191 N -1.22 1.39 0.08 2.92 2.01 -1.26 -1.38 115.64 118.18 1j6r s THR 191 Ca -0.13 -1.66 -0.26 0.00 0.31 0.00 0.00 61.69 59.95 1j6r s THR 191 Cb -0.08 -1.50 0.09 0.00 0.01 0.00 0.00 72.50 71.01 1j6r s THR 191 CO -0.00 -0.34 0.75 0.00 -0.69 0.00 0.00 174.62 174.34 1j6r s ALA 192 N -1.90 -1.71 0.05 7.40 0.00 -1.05 -4.41 121.76 120.14 1j6r s ALA 192 Ca 0.08 0.74 0.07 0.00 0.00 0.00 0.00 51.96 52.86 1j6r s ALA 192 Cb -0.06 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1j6r s ALA 192 CO 0.03 -0.73 -0.21 -0.06 0.00 0.00 0.00 175.76 174.79 1j6r s PHE 193 N -3.43 1.83 -0.02 0.00 0.40 -0.17 -0.50 117.98 116.10 1j6r s PHE 193 Ca 0.03 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 1j6r s PHE 193 Cb -0.01 -1.09 0.01 0.00 0.51 0.00 0.00 43.02 42.44 1j6r s PHE 193 CO -0.11 0.10 -0.04 0.08 0.70 0.00 0.00 175.22 175.96 1j6r s VAL 194 N -0.83 0.35 0.11 -0.44 1.01 -0.35 -2.02 120.40 118.23 1j6r s VAL 194 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1j6r s VAL 194 Cb -0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1j6r s VAL 194 CO 0.02 0.14 0.14 -0.83 0.00 0.00 0.00 175.10 174.57 1j6r s GLY 195 N 0.34 1.93 -0.15 4.51 0.00 -1.26 -0.52 107.32 112.17 1j6r s GLY 195 Ca -0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.63 1j6r s GLY 195 CO -0.00 -1.03 -0.02 -0.98 0.00 0.00 0.00 173.10 171.07 1j6r s TRP 196 N -1.55 1.28 -2.80 1.90 0.52 0.14 0.14 118.94 118.58 1j6r s TRP 196 Ca 0.31 -0.80 0.26 0.00 0.02 0.00 0.00 56.10 55.89 1j6r s TRP 196 Cb -0.12 -1.12 0.53 0.00 -1.15 0.00 0.00 33.47 31.62 1j6r s TRP 196 CO 0.24 -0.54 1.45 0.54 0.02 0.00 0.00 176.95 178.66