#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0r n GLY 10 N 0.00 1.33 0.00 1.09 0.00 -1.26 -5.11 105.19 101.24 1j0r n GLY 10 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1j0r n GLY 10 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1j0r n PHE 11 N -1.72 0.00 -2.76 1.61 7.35 -1.26 -5.02 117.46 115.66 1j0r n PHE 11 Ca 0.00 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.49 1j0r n PHE 11 Cb 0.00 0.00 0.04 0.00 0.35 0.00 0.00 39.48 39.87 1j0r n PHE 11 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1j0r s LEU 12 N 0.00 3.30 0.36 -2.13 1.43 -1.26 -4.65 118.68 115.73 1j0r s LEU 12 Ca 0.00 -0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 52.57 1j0r s LEU 12 Cb 0.00 -2.54 -0.09 0.00 0.03 0.00 0.00 46.19 43.59 1j0r s LEU 12 CO 0.00 -1.19 1.20 0.54 0.23 0.00 0.00 176.35 177.13 1j0r s VAL 13 N -2.71 3.08 0.55 -1.59 0.11 -1.26 -5.02 120.40 113.56 1j0r s VAL 13 Ca 0.59 0.99 -0.15 0.00 -2.93 0.00 0.00 61.98 60.48 1j0r s VAL 13 Cb -0.09 -3.59 -0.06 0.00 -1.53 0.00 0.00 36.38 31.11 1j0r s VAL 13 CO 0.38 0.16 1.00 -0.54 -3.33 0.00 0.00 175.10 172.77 1j0r s LYS 14 N -2.02 3.80 0.25 1.54 1.02 -1.26 -4.92 119.74 118.15 1j0r s LYS 14 Ca 0.53 0.89 -0.06 0.00 0.02 0.00 0.00 55.97 57.35 1j0r s LYS 14 Cb -0.33 -2.11 0.27 0.00 -0.52 0.00 0.00 37.83 35.13 1j0r s LYS 14 CO 0.43 -0.40 1.90 0.37 -0.92 0.00 0.00 175.35 176.73 1j0r h GLN 15 N 0.47 1.26 -0.50 1.68 4.15 -1.99 -1.41 115.11 118.78 1j0r h GLN 15 Ca -0.46 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 58.84 1j0r h GLN 15 Cb 1.19 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 1j0r h GLN 15 CO 0.61 0.88 0.26 0.00 -1.93 0.00 0.00 178.83 178.65 1j0r h ARG 16 N 1.28 0.71 -0.71 1.69 2.47 -1.94 -0.80 114.38 117.09 1j0r h ARG 16 Ca 0.34 -0.09 -0.04 0.00 -1.26 0.00 0.00 59.98 58.92 1j0r h ARG 16 Cb -0.07 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.09 1j0r h ARG 16 CO -0.06 0.57 0.27 0.00 0.56 0.00 0.00 179.97 181.31 1j0r h ALA 17 N 1.10 0.92 -0.17 0.04 0.00 -1.86 0.47 119.26 119.76 1j0r h ALA 17 Ca 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j0r h ALA 17 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1j0r h ALA 17 CO -0.03 0.55 0.10 0.35 0.00 0.00 0.00 179.25 180.23 1j0r h PHE 18 N 1.01 0.22 -0.39 0.00 3.57 -0.93 -1.43 116.94 119.00 1j0r h PHE 18 Ca 0.23 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.60 1j0r h PHE 18 Cb 0.23 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1j0r h PHE 18 CO 0.02 0.17 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.89 1j0r h LEU 19 N 0.20 0.89 -1.25 0.59 3.38 -0.92 -2.93 115.31 115.27 1j0r h LEU 19 Ca 0.06 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1j0r h LEU 19 Cb 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1j0r h LEU 19 CO -0.01 1.12 0.39 0.11 0.09 0.00 0.00 178.44 180.14 1j0r h LYS 20 N 0.72 0.90 0.63 1.13 1.57 -0.69 -1.21 116.57 119.62 1j0r h LYS 20 Ca 0.08 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1j0r h LYS 20 Cb 0.86 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1j0r h LYS 20 CO 0.08 0.64 -0.38 1.25 -0.57 0.00 0.00 179.45 180.47 1j0r h LEU 21 N 0.91 -0.94 -0.96 2.94 5.85 -1.08 -1.69 115.31 120.33 1j0r h LEU 21 Ca 0.24 0.05 0.14 0.00 0.84 0.00 0.00 57.88 59.15 1j0r h LEU 21 Cb -0.02 0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 1j0r h LEU 21 CO -0.04 -0.60 0.58 1.88 -0.34 0.00 0.00 178.44 179.92 1j0r h TYR 22 N -0.95 1.04 -0.37 1.25 0.05 -1.34 -1.18 116.97 115.46 1j0r h TYR 22 Ca -0.08 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.68 1j0r h TYR 22 Cb 0.77 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1j0r h TYR 22 CO -0.09 0.34 -0.01 0.52 -1.05 0.00 0.00 178.16 177.87 1j0r h MET 23 N 0.85 0.59 -0.32 4.88 2.86 -0.96 0.12 114.93 122.96 1j0r h MET 23 Ca 0.50 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.88 1j0r h MET 23 Cb 0.61 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1j0r h MET 23 CO -0.31 0.62 -0.30 0.82 1.06 0.00 0.00 176.91 178.80 1j0r h ILE 24 N 0.56 1.29 -0.39 -1.22 2.04 -0.31 -0.50 117.51 118.99 1j0r h ILE 24 Ca 0.12 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.44 1j0r h ILE 24 Cb 0.38 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1j0r h ILE 24 CO 0.01 0.48 -0.04 0.74 0.00 0.00 0.00 178.15 179.34 1j0r h THR 25 N 0.54 1.27 -0.92 -0.27 2.02 -0.92 -0.39 112.91 114.24 1j0r h THR 25 Ca 0.05 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.16 1j0r h THR 25 Cb 0.88 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 1j0r h THR 25 CO 0.08 0.36 0.61 0.24 0.37 0.00 0.00 175.52 177.18 1j0r h MET 26 N 0.52 1.21 -0.48 6.66 2.86 -0.71 -0.57 114.93 124.42 1j0r h MET 26 Ca 0.10 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1j0r h MET 26 Cb 0.54 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1j0r h MET 26 CO 0.03 0.80 0.15 1.15 1.06 0.00 0.00 176.91 180.10 1j0r h THR 27 N 1.24 1.23 -0.92 2.22 2.02 -0.81 -0.28 112.91 117.60 1j0r h THR 27 Ca 0.34 -0.75 0.15 0.00 0.77 0.00 0.00 66.41 66.92 1j0r h THR 27 Cb -0.13 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 1j0r h THR 27 CO -0.08 0.27 0.59 -0.33 0.37 0.00 0.00 175.52 176.35 1j0r h GLU 28 N 0.65 0.71 -0.51 6.66 5.08 -0.23 0.14 114.58 127.08 1j0r h GLU 28 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1j0r h GLU 28 Cb 0.27 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1j0r h GLU 28 CO -0.01 0.47 0.00 1.04 -1.00 0.00 0.00 179.01 179.52 1j0r n GLN 29 N -4.59 2.28 -3.11 2.33 6.02 -0.30 -4.92 117.38 115.09 1j0r n GLN 29 Ca 0.18 -1.56 -0.22 0.00 -0.01 0.00 0.00 57.00 55.40 1j0r n GLN 29 Cb 0.48 -1.48 0.01 0.00 1.02 0.00 0.00 30.24 30.26 1j0r n GLN 29 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1j0r n GLU 30 N 0.61 -3.76 -0.25 -1.09 1.02 0.49 -4.86 120.64 112.80 1j0r n GLU 30 Ca 0.14 0.66 0.08 0.00 -0.02 0.00 0.00 57.16 58.02 1j0r n GLU 30 Cb 0.46 -5.41 0.13 0.00 -0.02 0.00 0.00 31.44 26.60 1j0r n GLU 30 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1j0r n ARG 31 N -3.72 1.10 -3.32 3.49 1.85 -0.20 -4.97 116.66 110.90 1j0r n ARG 31 Ca -0.07 -2.44 -0.46 0.00 -1.00 0.00 0.00 57.85 53.88 1j0r n ARG 31 Cb 0.58 -1.33 -0.04 0.00 -1.05 0.00 0.00 32.46 30.62 1j0r n ARG 31 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1j0r s LEU 32 N -2.43 6.30 0.07 2.89 0.20 -1.23 -4.88 118.68 119.61 1j0r s LEU 32 Ca 0.28 -1.98 0.07 0.00 0.69 0.00 0.00 54.13 53.19 1j0r s LEU 32 Cb 0.26 -2.21 -0.04 0.00 -0.43 0.00 0.00 46.19 43.77 1j0r s LEU 32 CO 0.00 -0.80 -0.15 -0.31 -0.29 0.00 0.00 176.35 174.80 1j0r s TYR 33 N 1.29 2.62 0.14 5.38 2.02 -1.26 -0.93 117.35 126.61 1j0r s TYR 33 Ca 0.06 -0.22 -0.15 0.00 -0.37 0.00 0.00 57.07 56.39 1j0r s TYR 33 Cb -0.26 -1.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.87 1j0r s TYR 33 CO 0.00 0.33 1.68 0.78 -1.57 0.00 0.00 175.55 176.78 1j0r h GLY 34 N 4.15 0.70 0.00 0.71 0.00 -1.76 -3.04 103.07 103.83 1j0r h GLY 34 Ca -0.49 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1j0r h GLY 34 CO 0.49 0.37 0.00 1.04 0.00 0.00 0.00 176.54 178.43 1j0r n LEU 35 N -4.61 0.00 0.30 3.11 4.77 -1.26 -3.39 117.00 115.92 1j0r n LEU 35 Ca 0.00 0.93 0.18 0.00 -0.03 0.00 0.00 56.01 57.10 1j0r n LEU 35 Cb 0.16 -0.43 1.01 0.00 -2.33 0.00 0.00 43.42 41.82 1j0r n LEU 35 CO 0.37 -0.43 1.15 0.11 -1.33 0.00 0.00 177.39 177.26 1j0r h LYS 36 N 0.00 0.00 0.00 3.23 1.79 -1.99 -3.40 116.57 116.20 1j0r h LYS 36 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1j0r h LYS 36 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1j0r h LYS 36 CO 0.00 0.00 0.00 -0.11 -1.08 0.00 0.00 179.45 178.26 1j0r n LEU 37 N -3.47 0.00 -0.27 2.94 7.94 -1.15 0.34 117.00 123.33 1j0r n LEU 37 Ca -0.02 0.11 0.09 0.00 -1.11 0.00 0.00 56.01 55.08 1j0r n LEU 37 Cb 0.15 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.33 1j0r n LEU 37 CO 0.23 0.00 0.97 0.25 -1.11 0.00 0.00 177.39 177.73 1j0r h LEU 38 N 0.00 0.10 -0.49 -1.96 5.85 -1.82 0.45 115.31 117.43 1j0r h LEU 38 Ca 0.00 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1j0r h LEU 38 Cb 0.00 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1j0r h LEU 38 CO 0.00 -0.04 0.05 -0.33 -0.34 0.00 0.00 178.44 177.78 1j0r h GLU 39 N 0.30 0.84 -0.63 1.25 3.07 -1.61 -0.65 114.58 117.16 1j0r h GLU 39 Ca 0.47 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 59.06 1j0r h GLU 39 Cb 0.85 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1j0r h GLU 39 CO -0.54 0.86 0.27 0.28 -1.40 0.00 0.00 179.01 178.48 1j0r h VAL 40 N 0.71 1.23 0.01 3.13 2.07 0.13 0.07 116.25 123.58 1j0r h VAL 40 Ca 0.15 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1j0r h VAL 40 Cb 0.45 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1j0r h VAL 40 CO 0.02 0.27 -0.00 -0.07 0.02 0.00 0.00 177.57 177.81 1j0r h LEU 41 N 0.87 -0.01 -1.48 2.57 4.07 -0.81 -1.41 115.31 119.11 1j0r h LEU 41 Ca 0.21 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1j0r h LEU 41 Cb 0.17 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1j0r h LEU 41 CO -0.02 0.20 0.28 0.03 -1.08 0.00 0.00 178.44 177.85 1j0r h ARG 42 N -0.22 0.63 -0.06 1.13 3.08 -0.98 -1.04 114.38 116.92 1j0r h ARG 42 Ca -0.00 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1j0r h ARG 42 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1j0r h ARG 42 CO 0.00 0.44 -0.55 1.03 -1.07 0.00 0.00 179.97 179.83 1j0r h SER 43 N 0.64 0.20 0.92 7.04 0.87 -0.83 -1.79 113.55 120.60 1j0r h SER 43 Ca 0.17 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1j0r h SER 43 Cb -0.02 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1j0r h SER 43 CO -0.03 0.71 -0.16 -0.08 -0.53 0.00 0.00 176.83 176.74 1j0r h GLU 44 N 0.14 0.00 -0.05 2.24 4.57 -0.06 -3.29 114.58 118.13 1j0r h GLU 44 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1j0r h GLU 44 Cb 1.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1j0r h GLU 44 CO 0.08 0.16 0.00 1.19 -1.18 0.00 0.00 179.01 179.26 1j0r n PHE 45 N -3.33 0.06 0.22 0.92 3.72 -0.95 -4.69 117.46 113.41 1j0r n PHE 45 Ca 0.00 -0.26 0.10 0.00 -0.05 0.00 0.00 57.45 57.23 1j0r n PHE 45 Cb 0.39 -0.02 0.46 0.00 -0.94 0.00 0.00 39.48 39.36 1j0r n PHE 45 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1j0r h LYS 46 N 0.55 0.00 0.06 -1.08 5.09 -1.40 -1.33 116.57 118.47 1j0r h LYS 46 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 1j0r h LYS 46 Cb 0.35 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.68 1j0r h LYS 46 CO 0.00 0.24 -0.03 1.49 -2.09 0.00 0.00 179.45 179.06 1j0r h GLU 47 N 0.00 -0.08 -0.35 0.07 4.57 -1.83 -3.21 114.58 113.76 1j0r h GLU 47 Ca -0.00 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 1j0r h GLU 47 Cb 0.74 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1j0r h GLU 47 CO 0.03 0.20 -0.36 0.82 -1.18 0.00 0.00 179.01 178.52 1j0r h ILE 48 N -0.35 1.28 0.00 2.32 5.03 -1.87 -3.47 117.51 120.44 1j0r h ILE 48 Ca -0.01 -1.52 0.00 0.00 -0.12 0.00 0.00 64.86 63.21 1j0r h ILE 48 Cb 0.31 1.39 0.00 0.00 -3.03 0.00 0.00 36.82 35.49 1j0r h ILE 48 CO 0.01 0.50 0.00 0.61 -0.68 0.00 0.00 178.15 178.59 1j0r n GLY 49 N 0.01 1.23 3.58 5.37 0.00 -0.69 -5.12 105.19 109.58 1j0r n GLY 49 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1j0r n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j0r s PHE 50 N -1.74 3.22 -0.54 1.61 5.36 -0.59 -5.00 117.98 120.31 1j0r s PHE 50 Ca 0.00 0.01 -0.03 0.00 -0.96 0.00 0.00 56.93 55.94 1j0r s PHE 50 Cb 0.00 -2.26 0.14 0.00 -0.34 0.00 0.00 43.02 40.56 1j0r s PHE 50 CO 0.00 -0.09 0.35 0.21 -1.46 0.00 0.00 175.22 174.23 1j0r s LYS 51 N 1.26 2.34 -0.13 10.12 2.20 -1.26 -4.01 119.74 130.26 1j0r s LYS 51 Ca 0.06 -2.22 -0.39 0.00 -0.36 0.00 0.00 55.97 53.06 1j0r s LYS 51 Cb -0.14 -3.69 -0.17 0.00 -1.51 0.00 0.00 37.83 32.32 1j0r s LYS 51 CO 0.05 -1.14 1.51 -2.30 -0.36 0.00 0.00 175.35 173.12 1j0r n PRO 52 N 3.98 0.95 -1.83 4.03 -0.02 -1.26 -4.88 135.00 135.96 1j0r n PRO 52 Ca 0.03 0.35 -0.38 0.00 -2.02 0.00 0.00 63.50 61.48 1j0r n PRO 52 Cb 0.39 -1.98 0.04 0.00 -0.02 0.00 0.00 33.50 31.93 1j0r n PRO 52 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1j0r s ASN 53 N 1.98 5.14 0.11 2.55 2.47 -1.26 -4.92 114.94 121.00 1j0r s ASN 53 Ca 0.93 2.65 -0.19 0.00 0.42 0.00 0.00 52.86 56.67 1j0r s ASN 53 Cb -1.08 -2.62 -0.06 0.00 -1.45 0.00 0.00 41.25 36.04 1j0r s ASN 53 CO 0.59 -1.65 1.66 -0.74 -3.72 0.00 0.00 177.10 173.24 1j0r h HIS 54 N 1.18 0.41 0.00 0.43 6.17 -2.00 -2.68 115.15 118.65 1j0r h HIS 54 Ca -0.51 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 60.54 1j0r h HIS 54 Cb 1.31 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 31.11 1j0r h HIS 54 CO 0.45 0.40 0.00 1.79 0.71 0.00 0.00 177.93 181.29 1j0r h THR 55 N 0.29 0.00 -0.11 6.26 1.35 -2.00 -3.01 112.91 115.70 1j0r h THR 55 Ca 0.09 -0.72 -0.13 0.00 -0.55 0.00 0.00 66.41 65.10 1j0r h THR 55 Cb 0.17 1.70 0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1j0r h THR 55 CO -0.01 0.00 -0.45 -0.08 -0.25 0.00 0.00 175.52 174.74 1j0r h GLU 56 N 0.00 0.49 -0.11 4.72 4.57 -1.90 -1.57 114.58 120.77 1j0r h GLU 56 Ca 0.00 -0.38 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1j0r h GLU 56 Cb 0.80 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 1j0r h GLU 56 CO 0.00 1.01 0.07 0.28 -1.18 0.00 0.00 179.01 179.19 1j0r h VAL 57 N 0.08 1.06 -0.63 0.32 2.07 -1.48 -0.35 116.25 117.32 1j0r h VAL 57 Ca -0.03 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1j0r h VAL 57 Cb 1.09 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1j0r h VAL 57 CO 0.09 0.05 0.39 0.22 0.02 0.00 0.00 177.57 178.34 1j0r h TYR 58 N 0.12 0.82 -0.13 1.57 3.20 -1.56 -2.09 116.97 118.89 1j0r h TYR 58 Ca 0.04 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.79 1j0r h TYR 58 Cb 0.03 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1j0r h TYR 58 CO -0.06 0.55 -0.45 0.00 -1.64 0.00 0.00 178.16 176.56 1j0r h ARG 59 N 0.85 0.32 0.20 1.82 3.08 -1.11 -1.99 114.38 117.54 1j0r h ARG 59 Ca 0.23 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1j0r h ARG 59 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1j0r h ARG 59 CO -0.04 0.71 -0.09 0.77 -1.07 0.00 0.00 179.97 180.24 1j0r h SER 60 N 0.26 -0.22 -0.30 7.04 0.02 -0.76 -1.37 113.55 118.22 1j0r h SER 60 Ca 0.02 -0.12 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1j0r h SER 60 Cb 0.89 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 1j0r h SER 60 CO 0.07 -0.02 -0.10 0.25 -1.14 0.00 0.00 176.83 175.90 1j0r h LEU 61 N -0.42 -0.35 -1.24 5.07 5.85 -1.30 -2.11 115.31 120.80 1j0r h LEU 61 Ca -0.03 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1j0r h LEU 61 Cb 0.33 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1j0r h LEU 61 CO 0.04 -0.13 -0.12 0.45 -0.34 0.00 0.00 178.44 178.35 1j0r h HIS 62 N -0.04 0.00 -0.09 1.25 3.86 -1.31 -1.45 115.15 117.37 1j0r h HIS 62 Ca 0.15 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.16 1j0r h HIS 62 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1j0r h HIS 62 CO -0.31 0.12 -0.78 0.93 0.86 0.00 0.00 177.93 178.75 1j0r h GLU 63 N 0.00 0.54 -0.29 2.45 5.08 -0.73 0.23 114.58 121.86 1j0r h GLU 63 Ca -0.00 -0.46 -0.09 0.00 -1.00 0.00 0.00 59.36 57.81 1j0r h GLU 63 Cb 0.64 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1j0r h GLU 63 CO 0.02 1.09 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.85 1j0r h LEU 64 N 0.36 0.52 0.24 1.33 3.38 -0.91 0.17 115.31 120.41 1j0r h LEU 64 Ca -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1j0r h LEU 64 Cb 1.38 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1j0r h LEU 64 CO 0.14 0.73 -0.11 -0.07 0.09 0.00 0.00 178.44 179.22 1j0r h LEU 65 N 0.47 -0.27 -1.97 1.67 3.38 -1.07 -0.98 115.31 116.54 1j0r h LEU 65 Ca 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1j0r h LEU 65 Cb 0.61 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1j0r h LEU 65 CO 0.04 0.23 -0.03 0.44 0.09 0.00 0.00 178.44 179.21 1j0r h ASP 66 N -0.91 0.00 -0.02 -0.43 3.32 -0.51 -0.47 116.42 117.40 1j0r h ASP 66 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1j0r h ASP 66 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1j0r h ASP 66 CO 0.05 0.03 0.00 0.47 -1.72 0.00 0.00 179.24 178.07 1j0r n ASP 67 N -4.47 0.34 -0.06 6.45 9.92 0.59 -4.90 116.55 124.42 1j0r n ASP 67 Ca -0.03 -1.31 -0.01 0.00 -0.53 0.00 0.00 54.79 52.91 1j0r n ASP 67 Cb 0.11 -0.01 -0.00 0.00 -0.64 0.00 0.00 41.12 40.58 1j0r n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j0r n GLY 68 N 0.94 0.43 0.10 0.44 0.00 -0.19 -4.92 105.19 102.00 1j0r n GLY 68 Ca 0.18 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1j0r n GLY 68 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1j0r h ILE 69 N 0.00 1.57 -1.86 -0.61 2.04 -1.40 -3.25 117.51 114.01 1j0r h ILE 69 Ca -0.02 -2.40 -0.55 0.00 1.00 0.00 0.00 64.86 62.89 1j0r h ILE 69 Cb 0.27 3.15 -0.08 0.00 -0.74 0.00 0.00 36.82 39.42 1j0r h ILE 69 CO 0.02 0.67 -0.55 -0.76 0.00 0.00 0.00 178.15 177.53 1j0r s LEU 70 N -8.06 3.19 0.04 1.44 1.43 -0.90 -0.12 118.68 115.70 1j0r s LEU 70 Ca -0.15 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.03 1j0r s LEU 70 Cb 0.00 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 1j0r s LEU 70 CO 0.79 -0.31 0.15 -1.59 0.23 0.00 0.00 176.35 175.61 1j0r s LYS 71 N -3.83 0.64 -0.19 1.70 -2.85 -0.46 -4.48 119.74 110.27 1j0r s LYS 71 Ca 0.37 -0.70 -0.06 0.00 -1.00 0.00 0.00 55.97 54.59 1j0r s LYS 71 Cb -0.01 0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 1j0r s LYS 71 CO 0.22 -0.17 0.03 1.14 0.10 0.00 0.00 175.35 176.67 1j0r s GLN 72 N -2.60 3.79 -0.23 1.78 -2.07 -1.26 -2.05 119.66 117.02 1j0r s GLN 72 Ca -0.05 -0.44 -0.10 0.00 -1.82 0.00 0.00 55.36 52.96 1j0r s GLN 72 Cb -0.01 -3.14 -0.05 0.00 -1.09 0.00 0.00 33.01 28.72 1j0r s GLN 72 CO -0.04 0.14 0.13 0.42 -1.32 0.00 0.00 175.29 174.62 1j0r s ILE 73 N 0.70 5.16 0.05 3.63 1.09 0.16 -4.97 121.20 127.01 1j0r s ILE 73 Ca 0.02 0.11 0.07 0.00 -1.10 0.00 0.00 60.65 59.75 1j0r s ILE 73 Cb -0.14 -3.39 -0.03 0.00 -1.06 0.00 0.00 42.46 37.85 1j0r s ILE 73 CO 0.02 0.38 -0.20 -0.54 -0.10 0.00 0.00 174.94 174.49 1j0r s LYS 74 N 0.91 1.33 -0.02 2.79 1.02 -1.26 -1.00 119.74 123.52 1j0r s LYS 74 Ca 0.07 -0.95 0.02 0.00 0.02 0.00 0.00 55.97 55.12 1j0r s LYS 74 Cb -0.13 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 1j0r s LYS 74 CO 0.03 0.37 -0.05 0.08 -0.92 0.00 0.00 175.35 174.86 1j0r s VAL 75 N -0.84 0.46 0.27 3.17 1.01 -0.91 -4.99 120.40 118.58 1j0r s VAL 75 Ca 0.07 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1j0r s VAL 75 Cb -0.09 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 1j0r s VAL 75 CO 0.02 0.16 1.17 -0.54 0.00 0.00 0.00 175.10 175.90 1j0r s LYS 76 N 0.22 4.55 -0.57 2.72 3.01 -1.26 -0.41 119.74 128.00 1j0r s LYS 76 Ca -0.02 1.91 -0.28 0.00 -1.01 0.00 0.00 55.97 56.57 1j0r s LYS 76 Cb -0.06 -3.17 0.03 0.00 -1.01 0.00 0.00 37.83 33.62 1j0r s LYS 76 CO -0.00 0.06 1.15 0.15 0.51 0.00 0.00 175.35 177.22 1j0r s LYS 77 N -1.28 3.49 0.00 1.68 -0.14 -1.25 -4.86 119.74 117.38 1j0r s LYS 77 Ca 0.47 0.18 0.09 0.00 -1.36 0.00 0.00 55.97 55.35 1j0r s LYS 77 Cb -0.34 -4.02 0.53 0.00 -1.68 0.00 0.00 37.83 32.33 1j0r s LYS 77 CO 0.43 -1.63 1.05 0.39 -0.76 0.00 0.00 175.35 174.82 1j0r n GLU 78 N 8.25 0.25 -0.00 1.68 -0.58 -1.26 -1.99 120.64 126.98 1j0r n GLU 78 Ca 0.08 0.05 0.07 0.00 -0.42 0.00 0.00 57.16 56.94 1j0r n GLU 78 Cb 0.49 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.76 1j0r n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j0r n GLY 79 N -0.44 -0.52 3.18 0.62 0.00 -1.26 -4.98 105.19 101.78 1j0r n GLY 79 Ca 0.06 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1j0r n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0r s ALA 80 N -2.67 1.64 -0.08 4.61 0.00 -0.84 -5.10 121.76 119.32 1j0r s ALA 80 Ca 0.01 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 1j0r s ALA 80 Cb 0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1j0r s ALA 80 CO 0.62 0.35 1.48 -1.59 0.00 0.00 0.00 175.76 176.62 1j0r s LYS 81 N -0.22 4.22 0.20 0.00 -2.85 -1.26 -4.68 119.74 115.14 1j0r s LYS 81 Ca 0.02 1.98 0.00 0.00 -1.00 0.00 0.00 55.97 56.96 1j0r s LYS 81 Cb -0.10 -3.83 0.00 0.00 -2.06 0.00 0.00 37.83 31.84 1j0r s LYS 81 CO 0.01 -0.75 0.00 1.28 0.10 0.00 0.00 175.35 175.99 1j0r n LEU 82 N 6.61 -0.37 -1.49 2.77 4.77 -1.26 -5.06 117.00 122.97 1j0r n LEU 82 Ca 0.15 0.84 0.06 0.00 -0.03 0.00 0.00 56.01 57.03 1j0r n LEU 82 Cb 0.44 -2.08 -0.04 0.00 -2.33 0.00 0.00 43.42 39.41 1j0r n LEU 82 CO 0.60 -1.54 -0.51 0.00 -1.33 0.00 0.00 177.39 174.60 1j0r n GLN 83 N -2.99 -3.52 -3.12 3.23 1.13 -1.26 -4.81 117.38 106.04 1j0r n GLN 83 Ca -0.01 2.79 -0.11 0.00 -1.94 0.00 0.00 57.00 57.73 1j0r n GLN 83 Cb 0.31 -3.72 -0.04 0.00 0.11 0.00 0.00 30.24 26.90 1j0r n GLN 83 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1j0r n GLU 84 N -3.26 0.52 -3.49 -1.09 0.00 -1.26 -3.88 120.64 108.18 1j0r n GLU 84 Ca -0.04 -1.63 -0.38 0.00 0.00 0.00 0.00 57.16 55.11 1j0r n GLU 84 Cb 0.52 1.07 -0.09 0.00 0.00 0.00 0.00 31.44 32.94 1j0r n GLU 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1j0r s VAL 85 N -2.43 5.25 -0.23 3.84 1.01 0.46 -4.89 120.40 123.40 1j0r s VAL 85 Ca 0.14 0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 1j0r s VAL 85 Cb 0.01 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1j0r s VAL 85 CO 0.10 0.24 0.01 -0.69 0.00 0.00 0.00 175.10 174.76 1j0r s VAL 86 N 1.60 3.86 -0.09 2.92 1.01 -1.26 -2.13 120.40 126.31 1j0r s VAL 86 Ca 0.13 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1j0r s VAL 86 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1j0r s VAL 86 CO 0.08 0.39 -0.10 -0.22 0.00 0.00 0.00 175.10 175.26 1j0r s LEU 87 N 1.43 2.96 -0.14 3.92 1.98 -0.17 -1.83 118.68 126.83 1j0r s LEU 87 Ca 0.05 -0.16 -0.07 0.00 -2.89 0.00 0.00 54.13 51.06 1j0r s LEU 87 Cb -0.15 -1.65 -0.04 0.00 0.66 0.00 0.00 46.19 45.01 1j0r s LEU 87 CO 0.00 0.28 0.11 -0.31 -1.89 0.00 0.00 176.35 174.54 1j0r s TYR 88 N -0.30 3.44 0.18 5.38 1.51 -0.11 -0.67 117.35 126.79 1j0r s TYR 88 Ca 0.03 0.37 0.03 0.00 -1.01 0.00 0.00 57.07 56.49 1j0r s TYR 88 Cb -0.13 -1.98 -0.05 0.00 -0.11 0.00 0.00 41.96 39.69 1j0r s TYR 88 CO 0.03 0.52 -0.01 -0.65 -1.11 0.00 0.00 175.55 174.32 1j0r s GLN 89 N -0.51 1.16 0.19 -0.62 -0.21 -0.87 -4.70 119.66 114.09 1j0r s GLN 89 Ca 0.11 -1.56 -0.30 0.00 0.02 0.00 0.00 55.36 53.64 1j0r s GLN 89 Cb -0.12 -0.40 -0.08 0.00 1.00 0.00 0.00 33.01 33.42 1j0r s GLN 89 CO 0.02 -0.09 1.12 -0.06 -2.12 0.00 0.00 175.29 174.15 1j0r s PHE 90 N -3.56 3.56 -0.19 0.91 0.08 -1.26 -1.36 117.98 116.16 1j0r s PHE 90 Ca 0.24 1.58 0.09 0.00 0.12 0.00 0.00 56.93 58.96 1j0r s PHE 90 Cb 0.05 -3.30 -0.18 0.00 -0.57 0.00 0.00 43.02 39.02 1j0r s PHE 90 CO 0.05 -0.71 -0.05 1.17 -0.10 0.00 0.00 175.22 175.58 1j0r n LYS 91 N 2.30 0.90 -3.50 0.44 4.81 0.83 -4.75 118.16 119.19 1j0r n LYS 91 Ca 0.03 0.05 -0.28 0.00 -0.87 0.00 0.00 58.31 57.24 1j0r n LYS 91 Cb 0.46 -1.45 -0.11 0.00 0.02 0.00 0.00 35.03 33.95 1j0r n LYS 91 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1j0r s ASP 92 N -5.58 2.44 0.46 3.14 -1.08 -0.80 -4.99 116.67 110.25 1j0r s ASP 92 Ca -0.18 -2.87 0.19 0.00 -0.52 0.00 0.00 52.55 49.17 1j0r s ASP 92 Cb 0.06 -0.62 1.11 0.00 -1.46 0.00 0.00 42.92 42.01 1j0r s ASP 92 CO 0.63 -0.21 1.98 0.22 0.52 0.00 0.00 175.17 178.31 1j0r h TYR 93 N 6.10 0.00 -0.26 -5.34 3.20 -1.85 -2.51 116.97 116.31 1j0r h TYR 93 Ca 0.17 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1j0r h TYR 93 Cb 0.91 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1j0r h TYR 93 CO 0.38 0.20 0.05 0.93 -1.64 0.00 0.00 178.16 178.08 1j0r h GLU 94 N 0.00 0.42 -0.78 1.82 4.39 -1.97 -1.25 114.58 117.22 1j0r h GLU 94 Ca -0.00 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.60 1j0r h GLU 94 Cb 0.41 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1j0r h GLU 94 CO 0.03 0.53 0.51 0.00 -1.16 0.00 0.00 179.01 178.92 1j0r h ALA 95 N 0.87 1.45 -0.09 3.43 0.00 -1.89 -1.71 119.26 121.32 1j0r h ALA 95 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j0r h ALA 95 Cb 0.30 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1j0r h ALA 95 CO 0.00 0.51 0.04 0.00 0.00 0.00 0.00 179.25 179.80 1j0r h ALA 96 N 1.52 0.11 -0.03 0.00 0.00 -1.02 -0.74 119.26 119.09 1j0r h ALA 96 Ca 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1j0r h ALA 96 Cb -0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1j0r h ALA 96 CO -0.06 -0.31 -0.12 0.87 0.00 0.00 0.00 179.25 179.63 1j0r h LYS 97 N -0.01 0.05 -0.19 0.00 1.57 -0.89 0.77 116.57 117.87 1j0r h LYS 97 Ca 0.03 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1j0r h LYS 97 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1j0r h LYS 97 CO -0.00 0.17 -0.02 1.25 -0.57 0.00 0.00 179.45 180.27 1j0r h LEU 98 N 0.05 0.35 -0.10 2.94 6.46 -0.93 -1.84 115.31 122.24 1j0r h LEU 98 Ca 0.01 -0.34 0.01 0.00 -0.12 0.00 0.00 57.88 57.44 1j0r h LEU 98 Cb 0.24 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1j0r h LEU 98 CO 0.02 0.60 0.04 0.22 -0.62 0.00 0.00 178.44 178.69 1j0r h TYR 99 N 0.08 0.07 -0.69 1.25 3.20 -0.22 -1.92 116.97 118.74 1j0r h TYR 99 Ca 0.05 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.07 1j0r h TYR 99 Cb 0.44 -0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.59 1j0r h TYR 99 CO 0.04 0.04 0.17 0.87 -1.64 0.00 0.00 178.16 177.64 1j0r h LYS 100 N 0.09 0.28 -0.66 1.82 1.57 -0.76 0.19 116.57 119.10 1j0r h LYS 100 Ca 0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1j0r h LYS 100 Cb 0.02 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1j0r h LYS 100 CO -0.04 0.18 0.31 0.87 -0.57 0.00 0.00 179.45 180.21 1j0r h LYS 101 N 0.28 0.95 -0.55 3.15 1.79 -0.89 -0.40 116.57 120.90 1j0r h LYS 101 Ca 0.38 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1j0r h LYS 101 Cb 0.60 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.06 1j0r h LYS 101 CO -0.46 0.76 0.29 1.96 -1.08 0.00 0.00 179.45 180.93 1j0r h GLN 102 N 0.91 0.78 -0.46 3.15 1.08 -0.50 -2.28 115.11 117.79 1j0r h GLN 102 Ca 0.23 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1j0r h GLN 102 Cb 0.13 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1j0r h GLN 102 CO -0.03 0.61 0.25 -0.07 -0.95 0.00 0.00 178.83 178.64 1j0r h LEU 103 N 0.75 0.56 -0.65 1.46 -0.00 -0.46 -1.73 115.31 115.25 1j0r h LEU 103 Ca 0.19 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1j0r h LEU 103 Cb 0.07 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.55 1j0r h LEU 103 CO -0.03 0.46 0.37 0.50 -0.00 0.00 0.00 178.44 179.74 1j0r h LYS 104 N 0.64 0.89 0.01 1.13 1.63 -0.51 0.62 116.57 120.98 1j0r h LYS 104 Ca 0.17 -0.09 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1j0r h LYS 104 Cb 0.03 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1j0r h LYS 104 CO -0.03 0.66 -0.01 0.28 -3.45 0.00 0.00 179.45 176.91 1j0r h VAL 105 N 0.88 1.03 -0.24 2.00 2.07 -1.08 -0.56 116.25 120.34 1j0r h VAL 105 Ca 0.23 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.68 1j0r h VAL 105 Cb 0.01 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1j0r h VAL 105 CO -0.04 0.03 -0.03 -0.33 0.02 0.00 0.00 177.57 177.21 1j0r h GLU 106 N -0.06 0.03 -0.77 1.57 4.39 -1.00 -0.81 114.58 117.93 1j0r h GLU 106 Ca -0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j0r h GLU 106 Cb 0.06 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1j0r h GLU 106 CO 0.00 0.02 0.48 -0.07 -1.16 0.00 0.00 179.01 178.28 1j0r h LEU 107 N 0.03 0.90 -0.44 1.33 3.38 -0.70 0.59 115.31 120.40 1j0r h LEU 107 Ca 0.11 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1j0r h LEU 107 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1j0r h LEU 107 CO -0.22 0.68 0.15 0.44 0.09 0.00 0.00 178.44 179.57 1j0r h ASP 108 N 1.04 0.64 -0.64 -0.43 3.32 -0.61 -0.63 116.42 119.11 1j0r h ASP 108 Ca 0.28 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1j0r h ASP 108 Cb -0.07 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1j0r h ASP 108 CO -0.06 0.66 0.25 -0.09 -1.72 0.00 0.00 179.24 178.29 1j0r h ARG 109 N 0.57 0.96 -0.49 3.56 2.43 -0.90 -1.63 114.38 118.88 1j0r h ARG 109 Ca 0.14 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1j0r h ARG 109 Cb 0.25 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1j0r h ARG 109 CO -0.01 0.81 0.30 0.77 -1.51 0.00 0.00 179.97 180.33 1j0r h SER 110 N 0.90 0.50 -0.02 -3.80 0.02 -0.58 -0.39 113.55 110.18 1j0r h SER 110 Ca 0.21 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1j0r h SER 110 Cb 0.21 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1j0r h SER 110 CO -0.02 0.36 -0.02 0.50 -1.14 0.00 0.00 176.83 176.51 1j0r h LYS 111 N 0.61 -0.03 -0.39 3.45 3.64 -0.81 0.29 116.57 123.33 1j0r h LYS 111 Ca 0.19 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1j0r h LYS 111 Cb -0.01 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1j0r h LYS 111 CO -0.07 -0.02 0.09 0.87 -2.27 0.00 0.00 179.45 178.05 1j0r h LYS 112 N -0.03 0.21 -0.27 1.90 1.57 -1.02 0.19 116.57 119.13 1j0r h LYS 112 Ca 0.02 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1j0r h LYS 112 Cb 0.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1j0r h LYS 112 CO -0.04 0.14 0.05 1.25 -0.57 0.00 0.00 179.45 180.28 1j0r h LEU 113 N 0.22 0.01 -0.45 2.94 5.85 -0.68 0.89 115.31 124.08 1j0r h LEU 113 Ca 0.18 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1j0r h LEU 113 Cb 0.21 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1j0r h LEU 113 CO -0.23 0.04 0.13 0.40 -0.34 0.00 0.00 178.44 178.44 1j0r h ILE 114 N 0.15 1.23 -0.63 4.05 2.04 -0.55 -2.04 117.51 121.76 1j0r h ILE 114 Ca 0.12 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1j0r h ILE 114 Cb 0.13 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1j0r h ILE 114 CO -0.16 0.27 0.37 -0.33 0.00 0.00 0.00 178.15 178.30 1j0r h GLU 115 N 0.59 0.87 -0.59 2.37 5.08 -0.58 -1.60 114.58 120.72 1j0r h GLU 115 Ca 0.14 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1j0r h GLU 115 Cb 0.29 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1j0r h GLU 115 CO -0.00 0.63 0.25 -0.22 -1.00 0.00 0.00 179.01 178.67 1j0r h LYS 116 N 0.86 0.88 -0.53 2.33 3.64 -0.70 -2.05 116.57 120.99 1j0r h LYS 116 Ca 0.22 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1j0r h LYS 116 Cb 0.00 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1j0r h LYS 116 CO -0.04 0.74 0.20 0.00 -2.27 0.00 0.00 179.45 178.08 1j0r h ALA 117 N 1.09 1.35 -0.20 5.00 0.00 -0.95 0.14 119.26 125.70 1j0r h ALA 117 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1j0r h ALA 117 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1j0r h ALA 117 CO -0.02 0.48 -0.05 -0.07 0.00 0.00 0.00 179.25 179.59 1j0r h LEU 118 N 0.76 0.39 -0.29 0.00 3.38 -0.94 -2.18 115.31 116.43 1j0r h LEU 118 Ca 0.18 -0.37 -0.19 0.00 0.09 0.00 0.00 57.88 57.59 1j0r h LEU 118 Cb 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1j0r h LEU 118 CO -0.01 0.67 -0.87 0.77 0.09 0.00 0.00 178.44 179.08 1j0r h SER 119 N 0.10 0.24 0.76 -0.43 4.64 -1.20 -1.40 113.55 116.26 1j0r h SER 119 Ca 0.05 -0.19 -0.15 0.00 -0.47 0.00 0.00 61.79 61.03 1j0r h SER 119 Cb 0.50 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1j0r h SER 119 CO 0.02 0.99 -0.71 0.44 -0.87 0.00 0.00 176.83 176.70 1j0r h ASP 120 N 0.10 0.00 -0.00 4.97 3.32 -0.75 -3.35 116.42 120.71 1j0r h ASP 120 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1j0r h ASP 120 Cb 1.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.05 1j0r h ASP 120 CO 0.13 0.71 -0.35 0.59 -1.72 0.00 0.00 179.24 178.60 1j0r n ASN 121 N -3.64 0.63 0.00 6.45 3.02 -0.82 -5.08 115.26 115.82 1j0r n ASN 121 Ca -0.01 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1j0r n ASN 121 Cb 0.70 0.85 0.00 0.00 -0.61 0.00 0.00 39.78 40.72 1j0r n ASN 121 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13