#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7r n GLY 9 N 0.00 0.41 0.07 -3.96 0.00 -1.26 -2.94 105.19 97.51 1j7r n GLY 9 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1j7r n GLY 9 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1j7r h PRO 10 N 0.00 0.06 0.00 1.61 0.11 -2.05 -3.25 132.00 128.49 1j7r h PRO 10 Ca 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1j7r h PRO 10 Cb 0.00 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1j7r h PRO 10 CO 0.00 1.04 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 1j7r n GLU 11 N -3.38 0.95 0.06 1.05 1.02 -1.15 -2.58 120.64 116.61 1j7r n GLU 11 Ca -0.02 0.00 0.21 0.00 -0.02 0.00 0.00 57.16 57.32 1j7r n GLU 11 Cb 0.96 -1.07 0.74 0.00 -0.02 0.00 0.00 31.44 32.05 1j7r n GLU 11 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1j7r h GLU 12 N 0.00 0.00 -0.32 3.49 4.57 -1.57 0.95 114.58 121.69 1j7r h GLU 12 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1j7r h GLU 12 Cb 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1j7r h GLU 12 CO 0.00 0.00 0.21 -0.22 -1.18 0.00 0.00 179.01 177.82 1j7r h LYS 13 N 0.00 0.43 -0.56 1.92 3.11 -1.79 0.22 116.57 119.91 1j7r h LYS 13 Ca 0.22 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 58.04 1j7r h LYS 13 Cb 1.04 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 32.15 1j7r h LYS 13 CO -0.00 0.29 0.37 0.22 -2.81 0.00 0.00 179.45 177.51 1j7r h ASP 14 N 0.44 0.64 -0.75 4.20 3.58 -1.12 -1.28 116.42 122.13 1j7r h ASP 14 Ca 0.12 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1j7r h ASP 14 Cb -0.05 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 1j7r h ASP 14 CO -0.03 0.47 0.48 -0.33 -2.88 0.00 0.00 179.24 176.95 1j7r h GLU 15 N 0.76 1.00 -0.01 0.28 4.39 -0.87 0.29 114.58 120.43 1j7r h GLU 15 Ca 0.20 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 1j7r h GLU 15 Cb -0.08 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.33 1j7r h GLU 15 CO -0.04 0.68 -0.74 0.00 -1.16 0.00 0.00 179.01 177.75 1j7r h MET 17 N 0.03 0.00 -0.16 0.00 1.85 -1.04 -1.96 114.93 113.65 1j7r h MET 17 Ca -0.01 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.00 1j7r h MET 17 Cb 1.31 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.33 1j7r h MET 17 CO 0.10 0.04 -0.19 -0.22 -0.40 0.00 0.00 176.91 176.24 1j7r h LYS 18 N 0.00 0.42 -0.77 0.39 1.63 0.61 0.30 116.57 119.15 1j7r h LYS 18 Ca -0.00 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.57 1j7r h LYS 18 Cb 0.87 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.48 1j7r h LYS 18 CO 0.01 0.81 0.51 0.97 -3.45 0.00 0.00 179.45 178.29 1j7r h ILE 19 N 0.06 1.20 0.00 2.00 6.09 -1.02 0.17 117.51 126.01 1j7r h ILE 19 Ca 0.02 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1j7r h ILE 19 Cb 0.75 0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.10 1j7r h ILE 19 CO 0.05 0.19 0.00 0.33 -3.07 0.00 0.00 178.15 175.65 1j7r n PHE 20 N -4.54 0.00 -0.12 2.19 -0.00 -0.74 -0.04 117.46 114.21 1j7r n PHE 20 Ca 0.08 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.33 1j7r n PHE 20 Cb 0.02 -0.30 -0.10 0.00 -0.00 0.00 0.00 39.48 39.10 1j7r n PHE 20 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1j7r n ASP 21 N -1.30 2.04 -0.03 -2.13 2.03 0.19 -4.04 116.55 113.30 1j7r n ASP 21 Ca 0.00 0.01 -0.13 0.00 0.52 0.00 0.00 54.79 55.19 1j7r n ASP 21 Cb 0.00 -0.50 -0.10 0.00 -0.72 0.00 0.00 41.12 39.81 1j7r n ASP 21 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1j7r h ILE 22 N -0.30 1.47 0.00 5.18 2.04 -0.09 -1.56 117.51 124.26 1j7r h ILE 22 Ca -0.57 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 63.79 1j7r h ILE 22 Cb 1.74 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 40.21 1j7r h ILE 22 CO -0.18 0.39 -0.34 -0.26 0.00 0.00 0.00 178.15 177.76 1j7r h PHE 23 N -0.50 0.00 0.00 1.37 -1.00 -0.70 -0.51 116.94 115.60 1j7r h PHE 23 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1j7r h PHE 23 Cb 0.66 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1j7r h PHE 23 CO 0.13 0.20 0.00 -3.47 -1.61 0.00 0.00 178.31 173.56 1j7r n ASP 24 N -3.09 0.00 0.00 2.17 -0.08 -1.21 -4.62 116.55 109.72 1j7r n ASP 24 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1j7r n ASP 24 Cb 0.62 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.76 1j7r n ASP 24 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1j7r n ARG 25 N -1.31 0.00 0.00 -0.67 5.12 -0.20 -0.95 116.66 118.65 1j7r n ARG 25 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1j7r n ARG 25 Cb 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.51 1j7r n ARG 25 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1j7r n ASN 26 N 3.40 0.00 -2.98 0.55 6.94 -1.22 -4.75 115.26 117.19 1j7r n ASN 26 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.44 1j7r n ASN 26 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 1j7r n ASN 26 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1j7r n ALA 27 N 0.00 -0.24 0.00 -2.53 0.00 -1.23 -4.97 120.51 111.54 1j7r n ALA 27 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.69 1j7r n ALA 27 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1j7r n ALA 27 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1j7r n GLU 28 N 2.88 0.00 -2.90 0.00 2.13 -0.12 -5.05 120.64 117.57 1j7r n GLU 28 Ca 0.22 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.83 1j7r n GLU 28 Cb 0.53 -0.43 0.03 0.00 0.27 0.00 0.00 31.44 31.84 1j7r n GLU 28 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1j7r n ASN 29 N -2.19 -5.79 -3.43 4.31 3.02 -1.20 -4.97 115.26 105.02 1j7r n ASN 29 Ca 0.00 -0.24 -0.09 0.00 -0.03 0.00 0.00 54.58 54.22 1j7r n ASN 29 Cb 0.16 -4.63 -0.08 0.00 -0.61 0.00 0.00 39.78 34.61 1j7r n ASN 29 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1j7r s ILE 30 N -3.12 -0.62 -0.15 2.41 -4.36 -1.26 -2.82 121.20 111.28 1j7r s ILE 30 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.65 1j7r s ILE 30 Cb -0.11 -0.77 -0.00 0.00 1.25 0.00 0.00 42.46 42.83 1j7r s ILE 30 CO 0.31 -0.06 -0.14 0.00 0.24 0.00 0.00 174.94 175.28 1j7r s ALA 31 N 2.57 2.53 0.55 2.27 0.00 0.46 -4.80 121.76 125.34 1j7r s ALA 31 Ca 0.09 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 1j7r s ALA 31 Cb -0.14 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1j7r s ALA 31 CO -0.15 0.01 0.09 -0.35 0.00 0.00 0.00 175.76 175.37 1j7r n PRO 32 N 3.97 0.40 -0.13 0.00 -0.04 -1.26 -0.07 135.00 137.87 1j7r n PRO 32 Ca -0.19 -0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 62.98 1j7r n PRO 32 Cb 0.52 -0.07 0.01 0.00 -0.04 0.00 0.00 33.50 33.91 1j7r n PRO 32 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1j7r h VAL 33 N -0.56 1.08 -1.00 0.52 -1.51 -1.92 -2.48 116.25 110.38 1j7r h VAL 33 Ca -0.03 -0.18 0.14 0.00 -1.23 0.00 0.00 66.70 65.40 1j7r h VAL 33 Cb 0.10 0.51 -0.09 0.00 -2.13 0.00 0.00 31.29 29.69 1j7r h VAL 33 CO 0.03 0.09 0.62 0.77 -1.23 0.00 0.00 177.57 177.86 1j7r h SER 34 N 0.52 0.86 -0.54 4.19 4.64 -1.96 0.35 113.55 121.62 1j7r h SER 34 Ca 0.15 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 1j7r h SER 34 Cb -0.03 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1j7r h SER 34 CO -0.05 0.42 0.27 0.44 -0.87 0.00 0.00 176.83 177.04 1j7r h ASP 35 N 0.90 0.73 0.74 4.97 5.19 -1.85 -1.38 116.42 125.73 1j7r h ASP 35 Ca 0.52 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.83 1j7r h ASP 35 Cb 0.63 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.94 1j7r h ASP 35 CO -0.29 0.63 -0.11 0.74 -3.12 0.00 0.00 179.24 177.09 1j7r h THR 36 N 0.81 0.35 0.27 0.35 2.02 0.09 -0.47 112.91 116.33 1j7r h THR 36 Ca 0.20 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1j7r h THR 36 Cb 0.10 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1j7r h THR 36 CO -0.03 0.11 -0.13 0.24 0.37 0.00 0.00 175.52 176.09 1j7r h MET 37 N 0.00 -0.35 -1.00 6.66 2.86 -0.10 -1.06 114.93 121.94 1j7r h MET 37 Ca -0.00 0.02 0.28 0.00 -2.06 0.00 0.00 59.70 57.94 1j7r h MET 37 Cb 0.52 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 1j7r h MET 37 CO 0.01 -0.21 0.70 -0.44 1.06 0.00 0.00 176.91 178.03 1j7r h ASP 38 N -1.09 0.12 0.00 1.22 3.32 -1.40 -1.86 116.42 116.73 1j7r h ASP 38 Ca -0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1j7r h ASP 38 Cb 0.31 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1j7r h ASP 38 CO 0.06 0.03 0.00 0.23 -1.72 0.00 0.00 179.24 177.84 1j7r n MET 39 N -4.33 0.00 0.00 3.56 2.81 -0.19 -0.46 117.12 118.52 1j7r n MET 39 Ca 0.22 0.30 0.07 0.00 -1.81 0.00 0.00 57.70 56.47 1j7r n MET 39 Cb 0.99 -1.12 0.42 0.00 -0.71 0.00 0.00 33.22 32.80 1j7r n MET 39 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1j7r n LEU 40 N -1.39 0.00 -0.12 4.03 7.99 -0.41 0.92 117.00 128.02 1j7r n LEU 40 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.74 1j7r n LEU 40 Cb 0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 1j7r n LEU 40 CO 0.00 0.00 -1.04 0.41 -1.51 0.00 0.00 177.39 175.25 1j7r n THR 41 N -1.00 1.54 -0.11 -5.08 -1.04 -0.71 -3.23 114.28 104.65 1j7r n THR 41 Ca 0.11 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.05 61.63 1j7r n THR 41 Cb 0.05 -1.93 -0.11 0.00 -1.82 0.00 0.00 70.33 66.51 1j7r n THR 41 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1j7r n LYS 42 N -4.28 0.58 -0.35 -2.82 5.02 0.50 -3.43 118.16 113.38 1j7r n LYS 42 Ca -0.45 0.50 0.28 0.00 -2.02 0.00 0.00 58.31 56.62 1j7r n LYS 42 Cb 0.81 -1.69 0.58 0.00 -0.02 0.00 0.00 35.03 34.71 1j7r n LYS 42 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1j7r h LEU 43 N -0.94 0.32 0.00 -0.35 5.85 0.48 -3.40 115.31 117.27 1j7r h LEU 43 Ca -0.43 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1j7r h LEU 43 Cb 1.41 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1j7r h LEU 43 CO -0.24 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 178.49 1j7r n GLY 44 N -1.54 -0.06 0.22 3.75 0.00 -1.24 -5.07 105.19 101.24 1j7r n GLY 44 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1j7r n GLY 44 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j7r n GLN 45 N -1.07 0.00 -3.66 1.61 7.27 -1.22 -4.97 117.38 115.34 1j7r n GLN 45 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.08 1j7r n GLN 45 Cb 0.00 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.65 1j7r n GLN 45 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1j7r s THR 46 N -2.00 0.00 0.00 1.69 -1.32 -1.20 -4.16 115.64 108.65 1j7r s THR 46 Ca 0.00 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 1j7r s THR 46 Cb 0.00 -2.09 0.00 0.00 -1.51 0.00 0.00 72.50 68.90 1j7r s THR 46 CO 0.00 0.00 0.00 -1.22 -2.21 0.00 0.00 174.62 171.19 1j7r n TYR 47 N -0.53 0.00 0.00 9.09 4.01 -1.26 -5.06 117.16 123.41 1j7r n TYR 47 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1j7r n TYR 47 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 1j7r n TYR 47 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1j7r n THR 48 N 0.00 0.00 0.04 -0.72 -1.04 -1.26 -5.05 114.28 106.25 1j7r n THR 48 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j7r n THR 48 Cb 0.00 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1j7r n THR 48 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1j7r n LYS 49 N 0.00 0.00 -0.02 -2.82 0.00 -1.26 -4.94 118.16 109.12 1j7r n LYS 49 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 1j7r n LYS 49 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 1j7r n LYS 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1j7r n ARG 50 N -2.47 0.64 0.10 1.64 3.00 -1.26 -2.82 116.66 115.48 1j7r n ARG 50 Ca 0.00 0.30 -0.20 0.00 -0.00 0.00 0.00 57.85 57.95 1j7r n ARG 50 Cb 0.00 -1.80 -0.12 0.00 0.00 0.00 0.00 32.46 30.54 1j7r n ARG 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1j7r h GLU 51 N 0.00 0.52 0.00 -0.14 3.07 -1.99 -1.62 114.58 114.42 1j7r h GLU 51 Ca -0.29 -0.72 0.00 0.00 -0.50 0.00 0.00 59.36 57.85 1j7r h GLU 51 Cb 2.01 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 30.16 1j7r h GLU 51 CO 0.08 1.32 0.00 1.15 -1.40 0.00 0.00 179.01 180.16 1j7r h THR 52 N 0.22 0.00 -0.78 1.13 2.02 -1.93 0.07 112.91 113.64 1j7r h THR 52 Ca -0.17 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.44 1j7r h THR 52 Cb 1.90 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 69.85 1j7r h THR 52 CO 0.22 0.00 0.52 -0.33 0.37 0.00 0.00 175.52 176.30 1j7r h GLU 53 N 0.00 0.99 -0.50 6.66 5.08 -1.30 -0.90 114.58 124.61 1j7r h GLU 53 Ca 0.00 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1j7r h GLU 53 Cb 0.60 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 1j7r h GLU 53 CO 0.00 0.66 0.15 0.00 -1.00 0.00 0.00 179.01 178.82 1j7r h ALA 54 N 1.52 0.60 -0.31 3.43 0.00 -0.03 0.78 119.26 125.25 1j7r h ALA 54 Ca 0.30 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.33 1j7r h ALA 54 Cb -0.06 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1j7r h ALA 54 CO -0.07 -0.25 -0.55 0.82 0.00 0.00 0.00 179.25 179.19 1j7r h ILE 55 N 0.31 0.00 0.00 0.00 2.04 -0.78 -1.35 117.51 117.73 1j7r h ILE 55 Ca 0.25 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.06 1j7r h ILE 55 Cb 0.29 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1j7r h ILE 55 CO -0.28 0.00 -0.24 0.24 0.00 0.00 0.00 178.15 177.88 1j7r h MET 56 N -0.47 0.00 0.00 2.37 2.86 -0.54 -2.46 114.93 116.69 1j7r h MET 56 Ca 0.06 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 1j7r h MET 56 Cb 0.63 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1j7r h MET 56 CO -0.54 0.24 -1.28 0.87 1.06 0.00 0.00 176.91 177.26 1j7r h LYS 57 N 0.00 0.00 0.00 1.72 1.57 -0.68 -3.37 116.57 115.82 1j7r h LYS 57 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1j7r h LYS 57 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1j7r h LYS 57 CO 0.03 0.24 -0.67 1.05 -0.57 0.00 0.00 179.45 179.53 1j7r h GLU 58 N 0.00 0.00 -0.27 3.15 4.11 -0.81 -3.38 114.58 117.39 1j7r h GLU 58 Ca -0.12 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.37 1j7r h GLU 58 Cb 1.46 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.63 1j7r h GLU 58 CO 0.04 0.05 -0.37 0.00 0.07 0.00 0.00 179.01 178.80 1j7r h ALA 59 N 1.92 -0.38 -3.00 1.06 0.00 -1.62 -3.29 119.26 113.95 1j7r h ALA 59 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1j7r h ALA 59 Cb 1.07 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1j7r h ALA 59 CO 0.01 -0.82 0.00 -2.13 0.00 0.00 0.00 179.25 176.31 1j7r n ARG 60 N -5.42 0.00 -3.06 0.00 3.00 -1.26 -4.55 116.66 105.37 1j7r n ARG 60 Ca -0.02 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 1j7r n ARG 60 Cb 0.34 -0.64 0.00 0.00 0.00 0.00 0.00 32.46 32.17 1j7r n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j7r n GLY 61 N -0.20 -0.43 0.13 5.14 0.00 -1.24 -4.62 105.19 103.96 1j7r n GLY 61 Ca 0.00 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.46 1j7r n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j7r n PRO 62 N 0.00 0.66 0.02 1.61 -0.04 -1.26 -4.55 135.00 131.45 1j7r n PRO 62 Ca 0.00 0.30 -0.21 0.00 -0.04 0.00 0.00 63.50 63.56 1j7r n PRO 62 Cb 0.00 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 31.68 1j7r n PRO 62 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1j7r h LYS 63 N -0.36 0.26 -0.14 0.54 3.64 -2.02 -3.48 116.57 115.01 1j7r h LYS 63 Ca -0.49 -0.44 -0.06 0.00 -1.27 0.00 0.00 60.65 58.39 1j7r h LYS 63 Cb 1.77 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.73 1j7r h LYS 63 CO -0.11 1.21 -0.06 0.41 -2.27 0.00 0.00 179.45 178.64 1j7r n GLY 64 N 1.70 0.61 0.10 5.01 0.00 -1.26 -4.93 105.19 106.42 1j7r n GLY 64 Ca -0.21 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1j7r n GLY 64 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1j7r h ASP 65 N 0.00 -0.11 -1.22 1.61 2.03 -1.98 -3.40 116.42 113.35 1j7r h ASP 65 Ca -0.06 -0.47 -0.38 0.00 -0.73 0.00 0.00 57.03 55.38 1j7r h ASP 65 Cb 0.31 0.03 -0.35 0.00 -0.83 0.00 0.00 39.33 38.49 1j7r h ASP 65 CO 0.09 0.48 -1.03 0.29 -1.03 0.00 0.00 179.24 178.04 1j7r n LYS 66 N -4.87 1.06 -3.32 4.15 5.02 -1.26 -5.07 118.16 113.87 1j7r n LYS 66 Ca -0.08 -3.01 -0.45 0.00 -2.02 0.00 0.00 58.31 52.75 1j7r n LYS 66 Cb 0.29 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 1j7r n LYS 66 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1j7r s LYS 67 N -2.09 3.00 0.19 1.97 3.01 -1.26 -5.03 119.74 119.52 1j7r s LYS 67 Ca 0.32 -1.42 0.11 0.00 -1.01 0.00 0.00 55.97 53.96 1j7r s LYS 67 Cb 0.39 -4.20 -0.04 0.00 -1.01 0.00 0.00 37.83 32.97 1j7r s LYS 67 CO -0.04 -1.18 -0.21 -0.80 0.51 0.00 0.00 175.35 173.63 1j7r s ASN 68 N 3.02 3.59 -0.26 2.83 0.01 -1.26 -4.49 114.94 118.38 1j7r s ASN 68 Ca 0.05 -0.81 -0.13 0.00 -0.71 0.00 0.00 52.86 51.26 1j7r s ASN 68 Cb -0.26 -0.34 -0.04 0.00 0.41 0.00 0.00 41.25 41.02 1j7r s ASN 68 CO 0.06 0.12 0.28 0.27 -1.51 0.00 0.00 177.10 176.32 1j7r s ILE 69 N -1.66 5.25 0.00 0.60 -4.36 0.91 -4.68 121.20 117.25 1j7r s ILE 69 Ca 0.21 0.40 0.00 0.00 -0.26 0.00 0.00 60.65 61.00 1j7r s ILE 69 Cb -0.08 -3.61 0.00 0.00 1.25 0.00 0.00 42.46 40.01 1j7r s ILE 69 CO 0.11 0.23 0.00 0.61 0.24 0.00 0.00 174.94 176.13 1j7r n GLY 70 N 4.61 1.56 0.22 6.27 0.00 -1.25 -0.40 105.19 116.19 1j7r n GLY 70 Ca -0.11 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.11 1j7r n GLY 70 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j7r n PRO 71 N 0.00 -0.15 -0.09 1.61 -0.04 -1.13 -3.44 135.00 131.76 1j7r n PRO 71 Ca 0.00 0.85 -0.12 0.00 -0.04 0.00 0.00 63.50 64.19 1j7r n PRO 71 Cb 0.00 -1.26 -0.11 0.00 -0.04 0.00 0.00 33.50 32.09 1j7r n PRO 71 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1j7r n GLU 72 N -4.79 0.84 -0.34 0.54 0.00 -1.26 -4.46 120.64 111.17 1j7r n GLU 72 Ca 0.05 0.07 0.04 0.00 0.00 0.00 0.00 57.16 57.31 1j7r n GLU 72 Cb 0.21 -1.41 0.21 0.00 0.00 0.00 0.00 31.44 30.44 1j7r n GLU 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1j7r h GLU 73 N 0.00 1.06 -0.47 3.44 4.57 -1.90 -0.04 114.58 121.23 1j7r h GLU 73 Ca -0.45 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 57.56 1j7r h GLU 73 Cb 1.82 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 30.16 1j7r h GLU 73 CO -0.03 0.70 -0.14 2.35 -1.18 0.00 0.00 179.01 180.71 1j7r h TRP 74 N 1.10 0.99 0.14 0.92 -0.00 -1.79 0.30 115.95 117.60 1j7r h TRP 74 Ca 0.42 -0.20 -0.22 0.00 -0.00 0.00 0.00 58.89 58.89 1j7r h TRP 74 Cb 0.20 -0.25 0.01 0.00 -0.00 0.00 0.00 29.16 29.13 1j7r h TRP 74 CO -0.00 0.96 -1.01 1.25 -0.00 0.00 0.00 178.44 179.64 1j7r h LEU 75 N 0.79 0.45 -0.78 0.65 6.46 -1.71 -1.89 115.31 119.27 1j7r h LEU 75 Ca 0.12 -0.92 0.02 0.00 -0.12 0.00 0.00 57.88 56.99 1j7r h LEU 75 Cb 0.66 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1j7r h LEU 75 CO 0.05 1.47 0.51 0.74 -0.62 0.00 0.00 178.44 180.58 1j7r h THR 76 N -0.35 1.16 -0.83 1.05 2.02 -0.98 0.55 112.91 115.52 1j7r h THR 76 Ca -0.19 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 1j7r h THR 76 Cb 1.69 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1j7r h THR 76 CO 0.12 0.18 0.45 0.25 0.37 0.00 0.00 175.52 176.90 1j7r h LEU 77 N 1.01 1.05 -1.09 2.58 6.46 -0.50 0.37 115.31 125.19 1j7r h LEU 77 Ca 0.30 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.89 1j7r h LEU 77 Cb -0.05 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.60 1j7r h LEU 77 CO -0.09 0.85 -0.07 0.00 -0.62 0.00 0.00 178.44 178.51 1j7r h SER 79 N 0.53 0.59 -0.20 0.00 4.64 0.66 -1.04 113.55 118.74 1j7r h SER 79 Ca 0.10 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1j7r h SER 79 Cb 0.44 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1j7r h SER 79 CO 0.02 1.13 0.07 0.11 -0.87 0.00 0.00 176.83 177.29 1j7r h LYS 80 N 0.35 0.31 -0.04 4.77 1.57 0.07 -0.11 116.57 123.50 1j7r h LYS 80 Ca -0.03 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 1j7r h LYS 80 Cb 1.29 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1j7r h LYS 80 CO 0.13 0.40 -0.56 -1.49 -0.57 0.00 0.00 179.45 177.36 1j7r h TRP 81 N 0.16 0.16 0.00 -1.35 4.06 -0.79 -2.84 115.95 115.35 1j7r h TRP 81 Ca 0.07 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1j7r h TRP 81 Cb 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1j7r h TRP 81 CO -0.00 0.66 -0.06 0.28 -3.56 0.00 0.00 178.44 175.76 1j7r h VAL 82 N 0.10 0.00 0.00 1.49 2.07 -1.13 -3.43 116.25 115.35 1j7r h VAL 82 Ca -0.00 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1j7r h VAL 82 Cb 1.02 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1j7r h VAL 82 CO 0.08 0.00 -0.25 -0.09 0.02 0.00 0.00 177.57 177.33 1j7r h ARG 83 N -0.20 0.00 0.00 1.57 2.43 -1.31 -3.51 114.38 113.36 1j7r h ARG 83 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1j7r h ARG 83 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1j7r h ARG 83 CO 0.00 0.74 0.00 0.94 -1.51 0.00 0.00 179.97 180.14