#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9i s GLU 2 N 0.00 1.85 0.45 2.12 8.01 -1.26 -2.43 118.70 127.45 1j9i s GLU 2 Ca 0.00 -2.67 -0.03 0.00 0.01 0.00 0.00 54.97 52.28 1j9i s GLU 2 Cb 0.00 -2.89 -0.03 0.00 -4.31 0.00 0.00 34.13 26.90 1j9i s GLU 2 CO 0.00 -1.22 0.72 0.14 0.01 0.00 0.00 175.26 174.91 1j9i s VAL 3 N -0.50 4.89 0.78 2.63 -7.23 -0.77 -4.78 120.40 115.42 1j9i s VAL 3 Ca 0.22 -0.01 -0.04 0.00 -1.81 0.00 0.00 61.98 60.33 1j9i s VAL 3 Cb -0.15 -3.84 0.15 0.00 0.56 0.00 0.00 36.38 33.10 1j9i s VAL 3 CO -0.08 -0.74 1.07 0.54 -0.31 0.00 0.00 175.10 175.58 1j9i s ASN 4 N -4.10 4.05 0.43 4.85 2.20 -1.26 -0.93 114.94 120.18 1j9i s ASN 4 Ca 0.46 -0.27 0.17 0.00 -0.94 0.00 0.00 52.86 52.27 1j9i s ASN 4 Cb -0.10 -0.01 1.07 0.00 -2.00 0.00 0.00 41.25 40.20 1j9i s ASN 4 CO 0.42 -2.07 1.90 0.50 -2.94 0.00 0.00 177.10 174.91 1j9i h LYS 5 N -0.77 0.39 0.38 3.55 1.63 -1.94 0.54 116.57 120.37 1j9i h LYS 5 Ca -0.37 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.38 1j9i h LYS 5 Cb 1.26 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1j9i h LYS 5 CO 0.39 0.26 -0.18 0.87 -3.45 0.00 0.00 179.45 177.33 1j9i h LYS 6 N 0.41 -0.50 -0.74 1.90 1.57 -1.96 -2.87 116.57 114.37 1j9i h LYS 6 Ca 0.41 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.34 1j9i h LYS 6 Cb 0.98 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.32 1j9i h LYS 6 CO -0.14 -0.30 0.34 1.96 -0.57 0.00 0.00 179.45 180.74 1j9i h GLN 7 N -1.12 0.53 -0.68 3.15 1.08 -1.81 -0.28 115.11 115.99 1j9i h GLN 7 Ca -0.05 -0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.25 1j9i h GLN 7 Cb 0.43 -0.12 -0.13 0.00 -0.05 0.00 0.00 27.48 27.61 1j9i h GLN 7 CO 0.09 0.35 -0.23 1.25 -0.95 0.00 0.00 178.83 179.34 1j9i h LEU 8 N 0.54 -0.82 -1.11 1.46 6.46 0.07 2.52 115.31 124.42 1j9i h LEU 8 Ca 0.39 0.22 -0.09 0.00 -0.12 0.00 0.00 57.88 58.27 1j9i h LEU 8 Cb 0.50 0.49 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 1j9i h LEU 8 CO -0.33 -0.26 -0.42 0.00 -0.62 0.00 0.00 178.44 176.81 1j9i h ALA 9 N 1.48 1.27 -0.42 1.25 0.00 -0.91 -2.46 119.26 119.47 1j9i h ALA 9 Ca 0.31 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1j9i h ALA 9 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1j9i h ALA 9 CO -0.72 0.54 -0.26 0.22 0.00 0.00 0.00 179.25 179.03 1j9i h ASP 10 N 0.04 0.96 -0.12 0.00 1.82 0.32 1.09 116.42 120.52 1j9i h ASP 10 Ca 0.00 -0.42 0.03 0.00 -0.39 0.00 0.00 57.03 56.24 1j9i h ASP 10 Cb 0.76 -0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.45 1j9i h ASP 10 CO 0.06 1.17 -0.47 0.40 -1.61 0.00 0.00 179.24 178.79 1j9i h ILE 11 N 0.75 0.00 -0.00 2.25 1.08 0.42 0.43 117.51 122.43 1j9i h ILE 11 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 1j9i h ILE 11 Cb 0.84 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 1j9i h ILE 11 CO 0.07 0.00 0.00 0.49 -0.69 0.00 0.00 178.15 178.02 1j9i n PHE 12 N -5.05 0.00 -1.68 1.37 3.01 -1.14 -4.80 117.46 109.17 1j9i n PHE 12 Ca -0.05 -0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.24 1j9i n PHE 12 Cb 0.33 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.74 1j9i n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j9i n GLY 13 N 0.71 1.21 0.59 1.37 0.00 0.15 -4.91 105.19 104.31 1j9i n GLY 13 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 1j9i n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9i n ALA 14 N 0.35 -0.11 -2.75 4.61 0.00 0.35 -4.93 120.51 118.03 1j9i n ALA 14 Ca -0.18 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 1j9i n ALA 14 Cb 0.58 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 1j9i n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1j9i s SER 15 N -1.69 5.15 0.60 0.00 0.01 -1.26 -4.44 113.70 112.06 1j9i s SER 15 Ca 0.11 0.07 0.29 0.00 1.31 0.00 0.00 55.95 57.72 1j9i s SER 15 Cb -0.00 -1.58 1.50 0.00 0.21 0.00 0.00 66.02 66.15 1j9i s SER 15 CO 0.07 0.31 1.92 0.40 0.41 0.00 0.00 173.24 176.35 1j9i h ILE 16 N 4.46 0.34 -0.15 1.44 2.04 -1.89 2.89 117.51 126.64 1j9i h ILE 16 Ca -0.45 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1j9i h ILE 16 Cb 1.19 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1j9i h ILE 16 CO 0.58 0.00 0.15 0.03 0.00 0.00 0.00 178.15 178.91 1j9i h ARG 17 N 0.00 0.00 0.17 2.37 2.47 -1.98 0.41 114.38 117.83 1j9i h ARG 17 Ca 0.18 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.56 1j9i h ARG 17 Cb 1.06 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.39 1j9i h ARG 17 CO -0.00 0.00 -1.73 1.15 0.56 0.00 0.00 179.97 179.95 1j9i h THR 18 N 0.00 0.92 -0.52 2.04 2.02 0.48 -3.14 112.91 114.71 1j9i h THR 18 Ca 0.07 -2.48 0.01 0.00 0.77 0.00 0.00 66.41 64.78 1j9i h THR 18 Cb 0.38 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.50 1j9i h THR 18 CO -0.00 0.84 0.33 0.40 0.37 0.00 0.00 175.52 177.47 1j9i h ILE 19 N 0.05 1.10 0.00 3.11 1.08 -0.23 0.53 117.51 123.15 1j9i h ILE 19 Ca -0.35 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1j9i h ILE 19 Cb 2.05 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 36.17 1j9i h ILE 19 CO 0.16 0.12 -0.02 0.06 -0.69 0.00 0.00 178.15 177.78 1j9i h GLN 20 N 0.67 0.00 0.00 2.37 3.07 -0.43 0.38 115.11 121.17 1j9i h GLN 20 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.89 1j9i h GLN 20 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.51 1j9i h GLN 20 CO -0.06 0.02 -0.91 -0.91 0.09 0.00 0.00 178.83 177.05 1j9i h ASN 21 N 0.00 0.00 0.04 0.06 2.35 -0.33 -3.32 115.58 114.37 1j9i h ASN 21 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1j9i h ASN 21 Cb 0.14 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.52 1j9i h ASN 21 CO 0.00 0.17 -0.35 -0.50 -1.65 0.00 0.00 177.43 175.11 1j9i h TRP 22 N 0.00 0.29 -0.35 1.19 4.06 0.39 -3.10 115.95 118.43 1j9i h TRP 22 Ca -0.04 -0.18 0.10 0.00 2.06 0.00 0.00 58.89 60.83 1j9i h TRP 22 Cb 1.17 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 1j9i h TRP 22 CO 0.00 1.06 0.49 -0.56 -3.56 0.00 0.00 178.44 175.87 1j9i h GLN 23 N -0.57 0.00 -0.20 0.49 3.07 -1.10 1.80 115.11 118.59 1j9i h GLN 23 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1j9i h GLN 23 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1j9i h GLN 23 CO 0.07 0.00 0.00 0.39 0.09 0.00 0.00 178.83 179.38 1j9i n GLU 24 N -3.44 1.99 -0.33 0.06 -0.58 -1.18 -3.86 120.64 113.30 1j9i n GLU 24 Ca 0.06 -1.48 0.08 0.00 -0.42 0.00 0.00 57.16 55.40 1j9i n GLU 24 Cb 0.64 -1.44 0.21 0.00 -0.57 0.00 0.00 31.44 30.28 1j9i n GLU 24 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1j9i n GLN 25 N 0.72 2.77 -0.48 3.49 1.13 0.61 -4.91 117.38 120.70 1j9i n GLN 25 Ca 0.17 -2.58 0.00 0.00 -1.94 0.00 0.00 57.00 52.65 1j9i n GLN 25 Cb 0.43 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1j9i n GLN 25 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1j9i n GLY 26 N -0.35 0.72 3.45 1.08 0.00 -1.18 -5.01 105.19 103.89 1j9i n GLY 26 Ca 0.18 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1j9i n GLY 26 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1j9i n MET 27 N -2.48 0.52 -2.01 1.61 0.00 -1.02 -4.82 117.12 108.93 1j9i n MET 27 Ca 0.00 0.19 -0.41 0.00 0.00 0.00 0.00 57.70 57.48 1j9i n MET 27 Cb 0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 33.22 31.81 1j9i n MET 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1j9i n PRO 28 N 0.77 4.05 -0.06 3.17 -0.04 -1.26 -4.92 135.00 136.72 1j9i n PRO 28 Ca 0.12 -3.28 -0.06 0.00 -0.04 0.00 0.00 63.50 60.25 1j9i n PRO 28 Cb 0.36 -2.79 0.06 0.00 -0.04 0.00 0.00 33.50 31.08 1j9i n PRO 28 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1j9i n VAL 29 N 2.70 0.00 -0.06 0.52 0.24 -1.26 -3.52 118.33 116.96 1j9i n VAL 29 Ca 0.56 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.83 1j9i n VAL 29 Cb 0.29 -0.19 -0.13 0.00 -1.47 0.00 0.00 33.84 32.34 1j9i n VAL 29 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1j9i n LEU 30 N 0.00 0.00 -4.23 1.34 4.32 0.57 -4.42 117.00 114.58 1j9i n LEU 30 Ca 0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.88 1j9i n LEU 30 Cb 0.12 0.28 -0.10 0.00 -1.62 0.00 0.00 43.42 42.10 1j9i n LEU 30 CO 0.08 0.28 -0.22 -0.13 -1.22 0.00 0.00 177.39 176.18 1j9i s ARG 31 N -2.64 1.32 0.00 3.23 3.00 -1.24 -4.84 118.95 117.77 1j9i s ARG 31 Ca -0.08 -1.71 0.28 0.00 0.00 0.00 0.00 55.73 54.23 1j9i s ARG 31 Cb 0.07 0.20 1.12 0.00 0.00 0.00 0.00 34.95 36.33 1j9i s ARG 31 CO 0.69 -0.42 1.82 0.41 0.00 0.00 0.00 175.30 177.80 1j9i n GLY 32 N -0.35 -1.28 2.05 -3.53 0.00 -1.26 -4.60 105.19 96.22 1j9i n GLY 32 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1j9i n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9i n GLY 33 N 1.42 -0.37 3.47 -0.02 0.00 -1.26 -4.77 105.19 103.66 1j9i n GLY 33 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1j9i n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9i n GLY 34 N -0.37 -1.38 2.35 -0.02 0.00 -1.26 -0.32 105.19 104.19 1j9i n GLY 34 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1j9i n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j9i n LYS 35 N 0.49 -0.85 -3.61 1.61 3.00 -1.26 -2.55 118.16 115.00 1j9i n LYS 35 Ca 0.11 0.92 -0.27 0.00 -0.00 0.00 0.00 58.31 59.07 1j9i n LYS 35 Cb 0.40 -4.93 0.03 0.00 0.00 0.00 0.00 35.03 30.54 1j9i n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j9i n GLY 36 N -1.48 -0.51 0.00 3.14 0.00 0.56 -4.93 105.19 101.97 1j9i n GLY 36 Ca -0.12 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1j9i n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j9i n ASN 37 N -2.71 0.00 -2.73 1.61 3.02 -0.87 -4.86 115.26 108.71 1j9i n ASN 37 Ca 0.00 0.03 -0.01 0.00 -0.03 0.00 0.00 54.58 54.57 1j9i n ASN 37 Cb 0.55 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.82 1j9i n ASN 37 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1j9i n GLU 38 N -0.04 1.50 -1.65 3.52 0.00 -1.26 -5.08 120.64 117.63 1j9i n GLU 38 Ca 0.00 -2.05 -0.66 0.00 0.00 0.00 0.00 57.16 54.45 1j9i n GLU 38 Cb 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 31.44 31.03 1j9i n GLU 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1j9i n VAL 39 N -1.20 0.01 -2.44 3.84 3.14 -1.26 -4.88 118.33 115.54 1j9i n VAL 39 Ca -0.09 -0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.05 1j9i n VAL 39 Cb 0.85 -0.54 0.05 0.00 -1.06 0.00 0.00 33.84 33.14 1j9i n VAL 39 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1j9i s LEU 40 N 3.61 3.09 -0.05 6.55 2.01 -1.26 -4.28 118.68 128.35 1j9i s LEU 40 Ca 1.08 0.29 0.01 0.00 0.01 0.00 0.00 54.13 55.52 1j9i s LEU 40 Cb -1.48 -3.07 0.02 0.00 0.01 0.00 0.00 46.19 41.68 1j9i s LEU 40 CO 0.78 -1.30 -0.05 -0.31 1.01 0.00 0.00 176.35 176.48 1j9i s TYR 41 N -2.99 0.81 -1.25 0.29 2.02 -0.11 0.21 117.35 116.34 1j9i s TYR 41 Ca 0.58 -0.24 -0.20 0.00 -0.37 0.00 0.00 57.07 56.83 1j9i s TYR 41 Cb -0.11 -0.71 -0.00 0.00 -0.40 0.00 0.00 41.96 40.74 1j9i s TYR 41 CO 0.42 -0.21 1.83 0.16 -1.57 0.00 0.00 175.55 176.17 1j9i s ASP 42 N 0.98 6.01 0.50 2.29 1.47 -1.23 -1.84 116.67 124.85 1j9i s ASP 42 Ca -0.10 -2.09 0.31 0.00 1.18 0.00 0.00 52.55 51.85 1j9i s ASP 42 Cb -0.14 -2.58 1.07 0.00 -0.34 0.00 0.00 42.92 40.92 1j9i s ASP 42 CO -0.00 -2.05 1.20 -0.24 0.68 0.00 0.00 175.17 174.75 1j9i n SER 43 N 11.15 0.00 0.10 2.11 2.88 -1.02 0.26 113.62 129.10 1j9i n SER 43 Ca 0.47 0.73 -0.21 0.00 -1.33 0.00 0.00 58.87 58.53 1j9i n SER 43 Cb 0.46 -0.31 -0.15 0.00 -0.75 0.00 0.00 64.21 63.47 1j9i n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j9i h ALA 44 N 0.61 0.09 0.00 -1.46 0.00 -1.86 -3.07 119.26 113.57 1j9i h ALA 44 Ca 0.58 -1.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 1j9i h ALA 44 Cb 2.81 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 20.84 1j9i h ALA 44 CO -0.01 0.95 -0.95 0.00 0.00 0.00 0.00 179.25 179.25 1j9i h ALA 45 N 0.29 0.43 0.00 0.00 0.00 0.33 -2.51 119.26 117.80 1j9i h ALA 45 Ca -0.27 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1j9i h ALA 45 Cb 2.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1j9i h ALA 45 CO 0.21 1.17 0.00 0.28 0.00 0.00 0.00 179.25 180.91 1j9i h VAL 46 N 0.00 0.00 0.00 0.00 2.07 0.15 -2.05 116.25 116.42 1j9i h VAL 46 Ca -0.01 -0.18 -0.22 0.00 0.82 0.00 0.00 66.70 67.10 1j9i h VAL 46 Cb 1.68 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 1j9i h VAL 46 CO 0.13 0.00 -1.50 2.30 0.02 0.00 0.00 177.57 178.51 1j9i n ILE 47 N -3.06 1.50 -0.39 4.57 -5.35 -1.12 -2.52 119.36 112.99 1j9i n ILE 47 Ca -0.02 -0.07 0.39 0.00 -0.27 0.00 0.00 62.75 62.78 1j9i n ILE 47 Cb 0.15 -2.11 0.74 0.00 -1.74 0.00 0.00 39.64 36.68 1j9i n ILE 47 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1j9i h LYS 48 N -1.00 0.00 0.10 6.28 1.63 -1.40 3.05 116.57 125.24 1j9i h LYS 48 Ca -0.33 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.32 1j9i h LYS 48 Cb 1.20 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.85 1j9i h LYS 48 CO -0.20 0.00 -0.63 2.35 -3.45 0.00 0.00 179.45 177.51 1j9i h TRP 49 N 0.00 0.37 0.00 1.91 7.01 -1.51 -3.16 115.95 120.58 1j9i h TRP 49 Ca 0.64 -0.27 -0.30 0.00 2.11 0.00 0.00 58.89 61.07 1j9i h TRP 49 Cb 2.71 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 29.71 1j9i h TRP 49 CO 0.00 1.24 -1.64 0.98 -2.79 0.00 0.00 178.44 176.24 1j9i n TYR 50 N -4.25 0.70 0.29 2.65 4.19 0.26 -4.24 117.16 116.76 1j9i n TYR 50 Ca -0.14 0.30 0.14 0.00 3.31 0.00 0.00 57.90 61.52 1j9i n TYR 50 Cb 0.73 -1.06 0.86 0.00 0.49 0.00 0.00 39.34 40.36 1j9i n TYR 50 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1j9i h ALA 51 N -0.66 1.43 -1.19 2.98 0.00 0.49 1.11 119.26 123.43 1j9i h ALA 51 Ca -0.45 -0.04 0.34 0.00 0.00 0.00 0.00 54.91 54.77 1j9i h ALA 51 Cb 1.38 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1j9i h ALA 51 CO -0.27 0.05 0.87 0.93 0.00 0.00 0.00 179.25 180.83 1j9i h GLU 52 N 0.00 0.00 0.00 0.00 5.08 -1.41 -3.17 114.58 115.07 1j9i h GLU 52 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1j9i h GLU 52 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1j9i h GLU 52 CO 0.01 0.00 -0.12 0.54 -1.00 0.00 0.00 179.01 178.43 1j9i n ARG 53 N -4.13 0.00 -1.99 2.33 1.74 -0.61 -4.90 116.66 109.11 1j9i n ARG 53 Ca 0.26 -0.31 -0.19 0.00 -0.77 0.00 0.00 57.85 56.84 1j9i n ARG 53 Cb 1.26 0.01 -0.04 0.00 -1.02 0.00 0.00 32.46 32.67 1j9i n ARG 53 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1j9i n ASP 54 N 0.01 -5.28 0.19 0.55 -0.08 0.33 -4.69 116.55 107.58 1j9i n ASP 54 Ca -0.04 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.49 1j9i n ASP 54 Cb 0.57 -4.54 0.00 0.00 2.34 0.00 0.00 41.12 39.48 1j9i n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j9i n ALA 55 N -0.48 0.00 0.00 -1.67 0.00 0.20 -1.90 120.51 116.66 1j9i n ALA 55 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1j9i n ALA 55 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1j9i n ALA 55 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1j9i n GLU 56 N -1.85 2.25 0.21 0.00 0.00 -1.26 -4.69 120.64 115.30 1j9i n GLU 56 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 57.16 57.33 1j9i n GLU 56 Cb 0.77 -0.77 0.84 0.00 0.00 0.00 0.00 31.44 32.28 1j9i n GLU 56 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1j9i h ILE 57 N 0.00 0.44 -0.49 6.31 2.04 -1.74 -0.23 117.51 123.84 1j9i h ILE 57 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1j9i h ILE 57 Cb 0.45 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1j9i h ILE 57 CO 0.00 0.00 0.91 -0.33 0.00 0.00 0.00 178.15 178.73 1j9i h GLU 58 N 0.00 0.00 0.00 2.37 4.39 -1.83 2.11 114.58 121.63 1j9i h GLU 58 Ca 0.08 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.64 1j9i h GLU 58 Cb 0.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1j9i h GLU 58 CO -0.00 0.00 -1.93 -1.71 -1.16 0.00 0.00 179.01 174.21 1j9i n ASN 59 N -3.06 0.22 -0.32 1.42 5.15 -0.10 -3.76 115.26 114.82 1j9i n ASN 59 Ca 0.11 0.09 0.29 0.00 -0.60 0.00 0.00 54.58 54.47 1j9i n ASN 59 Cb 1.07 1.25 0.63 0.00 -0.53 0.00 0.00 39.78 42.20 1j9i n ASN 59 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1j9i h GLU 60 N 0.00 0.18 0.00 1.20 -0.00 0.34 0.84 114.58 117.14 1j9i h GLU 60 Ca -0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.15 1j9i h GLU 60 Cb 1.48 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 30.19 1j9i h GLU 60 CO 0.02 0.12 -1.25 0.36 -0.00 0.00 0.00 179.01 178.25 1j9i n LYS 61 N -4.41 0.36 -3.60 1.06 2.85 -1.22 -4.62 118.16 108.59 1j9i n LYS 61 Ca 0.25 -0.04 -0.28 0.00 -1.05 0.00 0.00 58.31 57.20 1j9i n LYS 61 Cb 1.06 -1.58 -0.11 0.00 -0.65 0.00 0.00 35.03 33.75 1j9i n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1j9i s LEU 62 N -4.05 2.70 0.00 -5.58 1.43 0.29 -4.82 118.68 108.65 1j9i s LEU 62 Ca 0.01 -3.30 0.00 0.00 -1.03 0.00 0.00 54.13 49.81 1j9i s LEU 62 Cb 0.14 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.46 1j9i s LEU 62 CO 0.84 -0.15 0.00 -2.11 0.23 0.00 0.00 176.35 175.16 1j9i n ARG 63 N 2.60 0.00 -0.12 1.70 1.85 -0.89 -4.50 116.66 117.30 1j9i n ARG 63 Ca 0.24 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.84 1j9i n ARG 63 Cb 0.42 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.75 1j9i n ARG 63 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1j9i n ARG 64 N 0.00 0.51 0.27 2.89 0.63 -1.26 -4.17 116.66 115.54 1j9i n ARG 64 Ca 0.00 0.23 0.16 0.00 -0.92 0.00 0.00 57.85 57.32 1j9i n ARG 64 Cb 0.00 -1.36 0.87 0.00 0.45 0.00 0.00 32.46 32.41 1j9i n ARG 64 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1j9i h GLU 65 N -0.88 0.00 0.20 -0.14 4.11 -1.97 -0.62 114.58 115.28 1j9i h GLU 65 Ca -0.59 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.53 1j9i h GLU 65 Cb 1.51 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.78 1j9i h GLU 65 CO -0.36 0.00 -1.42 -0.24 0.07 0.00 0.00 179.01 177.06 1j9i h VAL 66 N 0.00 1.33 0.21 -1.06 3.04 -1.88 -3.34 116.25 114.55 1j9i h VAL 66 Ca 0.00 -2.82 0.01 0.00 -1.01 0.00 0.00 66.70 62.88 1j9i h VAL 66 Cb 0.22 2.98 -0.03 0.00 -2.01 0.00 0.00 31.29 32.45 1j9i h VAL 66 CO 0.00 0.84 -0.32 -0.08 -1.01 0.00 0.00 177.57 177.01 1j9i h GLU 67 N 0.12 -0.57 0.00 4.17 4.81 -1.27 -3.49 114.58 118.34 1j9i h GLU 67 Ca -0.22 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1j9i h GLU 67 Cb 2.09 0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.60 1j9i h GLU 67 CO 0.24 -0.38 0.00 -1.91 -0.73 0.00 0.00 179.01 176.23