#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ljf s VAL 2 N 0.00 3.63 0.45 3.15 1.01 -1.26 -0.83 120.40 126.55 1ljf s VAL 2 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 1ljf s VAL 2 Cb 0.00 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.47 1ljf s VAL 2 CO 0.00 0.18 0.92 -0.36 0.00 0.00 0.00 175.10 175.83 1ljf s PHE 3 N 1.46 3.40 0.40 5.22 0.40 -0.30 -5.02 117.98 123.54 1ljf s PHE 3 Ca 0.03 1.43 -0.10 0.00 -0.60 0.00 0.00 56.93 57.69 1ljf s PHE 3 Cb -0.16 -2.74 -0.06 0.00 0.51 0.00 0.00 43.02 40.56 1ljf s PHE 3 CO -0.00 -0.20 0.75 0.20 0.70 0.00 0.00 175.22 176.68 1ljf s GLY 4 N -2.69 1.95 0.12 4.36 0.00 -1.26 -4.87 107.32 104.93 1ljf s GLY 4 Ca 0.58 -0.22 -0.31 0.00 0.00 0.00 0.00 44.72 44.78 1ljf s GLY 4 CO 0.24 -0.04 1.58 -0.09 0.00 0.00 0.00 173.10 174.79 1ljf h ARG 5 N 1.31 -0.54 0.00 2.90 2.43 -1.97 -1.61 114.38 116.89 1ljf h ARG 5 Ca -0.47 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.66 1ljf h ARG 5 Cb 1.19 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1ljf h ARG 5 CO 0.64 -0.36 -0.35 0.00 -1.51 0.00 0.00 179.97 178.39 1ljf h GLU 7 N 0.00 0.78 -0.38 0.00 4.81 -1.84 -0.56 114.58 117.40 1ljf h GLU 7 Ca -0.00 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 58.94 1ljf h GLU 7 Cb 0.89 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1ljf h GLU 7 CO 0.05 0.74 -0.20 1.25 -0.73 0.00 0.00 179.01 180.12 1ljf h LEU 8 N 0.68 0.83 -0.59 1.64 6.46 -1.19 -1.79 115.31 121.35 1ljf h LEU 8 Ca 0.16 -0.41 0.05 0.00 -0.12 0.00 0.00 57.88 57.56 1ljf h LEU 8 Cb 0.29 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 39.95 1ljf h LEU 8 CO -0.00 1.06 0.32 0.00 -0.62 0.00 0.00 178.44 179.19 1ljf h ALA 9 N 0.80 0.77 -0.65 1.25 0.00 -1.18 0.68 119.26 120.93 1ljf h ALA 9 Ca 0.08 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1ljf h ALA 9 Cb 0.75 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1ljf h ALA 9 CO 0.06 -0.01 0.16 0.00 0.00 0.00 0.00 179.25 179.46 1ljf h ALA 10 N 1.31 0.86 -0.53 0.00 0.00 -0.92 -1.15 119.26 118.82 1ljf h ALA 10 Ca 0.26 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1ljf h ALA 10 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ljf h ALA 10 CO -0.17 0.57 0.09 0.00 0.00 0.00 0.00 179.25 179.75 1ljf h ALA 11 N 1.06 0.71 -0.39 0.00 0.00 -0.77 -1.97 119.26 117.90 1ljf h ALA 11 Ca 0.20 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1ljf h ALA 11 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ljf h ALA 11 CO 0.00 0.44 -0.17 0.52 0.00 0.00 0.00 179.25 180.05 1ljf h MET 12 N 0.77 0.73 -0.43 0.00 2.86 -0.68 -2.63 114.93 115.55 1ljf h MET 12 Ca 0.16 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1ljf h MET 12 Cb 0.39 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1ljf h MET 12 CO 0.01 0.85 0.08 -0.22 1.06 0.00 0.00 176.91 178.70 1ljf h LYS 13 N 0.65 0.71 -0.10 1.72 3.64 -1.05 -2.02 116.57 120.13 1ljf h LYS 13 Ca 0.10 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1ljf h LYS 13 Cb 0.64 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1ljf h LYS 13 CO 0.05 0.73 0.07 0.00 -2.27 0.00 0.00 179.45 178.03 1ljf h ARG 14 N 0.57 0.00 -0.65 1.90 3.08 -1.13 0.06 114.38 118.21 1ljf h ARG 14 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1ljf h ARG 14 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1ljf h ARG 14 CO 0.01 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.63 1ljf n HIS 15 N -4.45 1.08 -3.22 3.04 8.25 -0.96 -4.93 115.22 114.03 1ljf n HIS 15 Ca -0.01 -0.40 -0.18 0.00 -0.26 0.00 0.00 57.72 56.87 1ljf n HIS 15 Cb 0.19 -0.24 0.05 0.00 1.12 0.00 0.00 29.99 31.11 1ljf n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ljf n GLY 16 N 0.68 -0.18 0.06 -1.41 0.00 0.01 -4.95 105.19 99.40 1ljf n GLY 16 Ca 0.17 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1ljf n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ljf n LEU 17 N -3.71 0.57 -4.63 0.99 7.94 -0.80 -4.59 117.00 112.78 1ljf n LEU 17 Ca -0.01 0.14 -0.43 0.00 -1.11 0.00 0.00 56.01 54.60 1ljf n LEU 17 Cb 0.55 -0.06 -0.03 0.00 0.53 0.00 0.00 43.42 44.42 1ljf n LEU 17 CO 0.46 -0.07 1.57 -0.62 -1.11 0.00 0.00 177.39 177.62 1ljf s ASP 18 N -4.69 6.09 -0.47 1.96 2.15 -1.26 -1.80 116.67 118.64 1ljf s ASP 18 Ca -0.01 1.91 0.00 0.00 0.43 0.00 0.00 52.55 54.89 1ljf s ASP 18 Cb 0.12 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1ljf s ASP 18 CO 0.82 -1.45 0.00 0.59 -0.17 0.00 0.00 175.17 174.96 1ljf n ASN 19 N 9.31 -4.18 -4.68 -0.34 4.13 0.52 -4.87 115.26 115.15 1ljf n ASN 19 Ca 0.22 0.11 -0.42 0.00 1.68 0.00 0.00 54.58 56.17 1ljf n ASN 19 Cb 0.44 -2.08 -0.03 0.00 -1.54 0.00 0.00 39.78 36.58 1ljf n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ljf s TYR 20 N -1.95 1.99 -1.54 3.10 5.04 -0.75 -1.19 117.35 122.05 1ljf s TYR 20 Ca 0.00 0.04 -0.00 0.00 -2.44 0.00 0.00 57.07 54.66 1ljf s TYR 20 Cb 0.00 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.25 1ljf s TYR 20 CO 0.00 -4.47 0.04 0.54 -1.34 0.00 0.00 175.55 170.33 1ljf n ARG 21 N 6.44 -2.06 -0.69 4.97 1.74 -1.26 -2.08 116.66 123.72 1ljf n ARG 21 Ca 0.17 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.13 1ljf n ARG 21 Cb 0.41 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.32 1ljf n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ljf n GLY 22 N -0.98 0.95 3.55 -0.13 0.00 -0.33 -5.02 105.19 103.22 1ljf n GLY 22 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1ljf n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ljf s TYR 23 N -3.43 3.20 0.78 1.61 2.02 -0.88 -4.89 117.35 115.76 1ljf s TYR 23 Ca 0.00 0.04 -0.13 0.00 -0.37 0.00 0.00 57.07 56.62 1ljf s TYR 23 Cb 0.00 -2.74 0.07 0.00 -0.40 0.00 0.00 41.96 38.88 1ljf s TYR 23 CO 0.00 -0.46 1.15 -1.54 -1.57 0.00 0.00 175.55 173.13 1ljf s SER 24 N 1.74 4.08 0.32 2.29 1.04 -1.26 -0.36 113.70 121.55 1ljf s SER 24 Ca 0.14 2.12 0.08 0.00 0.48 0.00 0.00 55.95 58.77 1ljf s SER 24 Cb -0.16 -2.56 0.81 0.00 0.10 0.00 0.00 66.02 64.20 1ljf s SER 24 CO 0.12 -2.33 1.77 0.25 0.98 0.00 0.00 173.24 174.03 1ljf h LEU 25 N -0.86 0.73 -1.64 2.42 5.85 -1.89 -0.67 115.31 119.23 1ljf h LEU 25 Ca -0.45 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.46 1ljf h LEU 25 Cb 1.26 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1ljf h LEU 25 CO 0.49 0.23 0.39 1.23 -0.34 0.00 0.00 178.44 180.44 1ljf h GLY 26 N 0.69 0.56 0.93 3.75 0.00 -1.91 -2.24 103.07 104.85 1ljf h GLY 26 Ca 0.59 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1ljf h GLY 26 CO -0.38 0.10 0.13 3.43 0.00 0.00 0.00 176.54 179.83 1ljf h ASN 27 N 0.41 0.51 -0.58 0.19 2.35 -1.34 -1.29 115.58 115.83 1ljf h ASN 27 Ca 0.27 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 1ljf h ASN 27 Cb 0.51 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1ljf h ASN 27 CO -0.07 0.56 -0.05 -0.50 -1.65 0.00 0.00 177.43 175.72 1ljf h TRP 28 N 0.44 1.17 -0.35 1.19 4.06 -1.48 0.01 115.95 120.98 1ljf h TRP 28 Ca 0.12 -0.22 -0.05 0.00 2.06 0.00 0.00 58.89 60.80 1ljf h TRP 28 Cb 0.21 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 1ljf h TRP 28 CO 0.00 1.05 0.02 0.28 -3.56 0.00 0.00 178.44 176.23 1ljf h VAL 29 N 0.96 1.25 -0.65 1.49 2.07 -1.40 -1.03 116.25 118.95 1ljf h VAL 29 Ca 0.16 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1ljf h VAL 29 Cb 0.61 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1ljf h VAL 29 CO 0.04 0.30 0.37 0.00 0.02 0.00 0.00 177.57 178.30 1ljf h ALA 31 N 1.18 0.80 -0.61 0.00 0.00 -0.75 -2.57 119.26 117.32 1ljf h ALA 31 Ca 0.23 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ljf h ALA 31 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1ljf h ALA 31 CO -0.04 0.25 0.20 0.00 0.00 0.00 0.00 179.25 179.66 1ljf h ALA 32 N 1.22 0.79 -0.21 0.00 0.00 -0.69 -0.97 119.26 119.40 1ljf h ALA 32 Ca 0.23 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ljf h ALA 32 Cb -0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 1ljf h ALA 32 CO -0.05 0.45 -0.14 -0.22 0.00 0.00 0.00 179.25 179.29 1ljf h LYS 33 N 0.86 -0.13 0.00 0.00 1.63 -0.77 -1.75 116.57 116.41 1ljf h LYS 33 Ca 0.20 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1ljf h LYS 33 Cb 0.27 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1ljf h LYS 33 CO -0.01 -0.08 -0.61 0.74 -3.45 0.00 0.00 179.45 176.03 1ljf h PHE 34 N -0.13 0.00 0.11 1.91 0.04 -1.41 0.82 116.94 118.28 1ljf h PHE 34 Ca 0.12 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.66 1ljf h PHE 34 Cb 0.31 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.49 1ljf h PHE 34 CO -0.30 0.00 -0.97 0.93 -0.60 0.00 0.00 178.31 177.37 1ljf h GLU 35 N 0.00 0.46 0.00 1.51 4.39 -1.05 -3.42 114.58 116.46 1ljf h GLU 35 Ca 0.00 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1ljf h GLU 35 Cb 0.91 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1ljf h GLU 35 CO 0.00 1.28 0.00 -1.13 -1.16 0.00 0.00 179.01 178.00 1ljf n SER 36 N -4.00 0.06 -3.65 1.42 3.41 -0.69 -4.84 113.62 105.33 1ljf n SER 36 Ca -0.13 -1.01 -0.24 0.00 -0.26 0.00 0.00 58.87 57.22 1ljf n SER 36 Cb 0.87 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.89 1ljf n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ljf n ASN 37 N -0.01 -5.20 -1.87 4.04 5.15 0.28 -2.02 115.26 115.63 1ljf n ASN 37 Ca 0.00 -0.62 -0.20 0.00 -0.60 0.00 0.00 54.58 53.16 1ljf n ASN 37 Cb 0.31 -4.76 -0.05 0.00 -0.53 0.00 0.00 39.78 34.75 1ljf n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ljf n PHE 38 N -4.79 -0.42 -3.64 1.20 3.72 -1.19 -4.84 117.46 107.50 1ljf n PHE 38 Ca -0.04 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.98 1ljf n PHE 38 Cb 0.57 -3.59 -0.11 0.00 -0.94 0.00 0.00 39.48 35.41 1ljf n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ljf s ASN 39 N -2.48 5.66 0.24 4.37 3.84 -0.86 -1.15 114.94 124.56 1ljf s ASN 39 Ca 0.00 -0.33 0.22 0.00 0.21 0.00 0.00 52.86 52.96 1ljf s ASN 39 Cb 0.00 -2.04 0.96 0.00 -0.55 0.00 0.00 41.25 39.62 1ljf s ASN 39 CO 0.00 -0.14 1.68 0.35 -2.79 0.00 0.00 177.10 176.20 1ljf n THR 40 N 5.01 0.88 -0.35 -5.21 -2.24 -0.01 -2.94 114.28 109.42 1ljf n THR 40 Ca -0.14 0.29 0.09 0.00 -2.27 0.00 0.00 64.05 62.02 1ljf n THR 40 Cb 0.50 -1.21 0.26 0.00 -2.10 0.00 0.00 70.33 67.79 1ljf n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ljf n GLN 41 N -2.17 2.90 -2.07 -0.78 6.02 -1.26 -4.15 117.38 115.87 1ljf n GLN 41 Ca 0.02 -2.47 -0.41 0.00 -0.01 0.00 0.00 57.00 54.12 1ljf n GLN 41 Cb 0.20 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.94 1ljf n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ljf s ALA 42 N -1.15 3.54 0.01 -1.58 0.00 -1.15 -4.83 121.76 116.60 1ljf s ALA 42 Ca 0.40 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1ljf s ALA 42 Cb 0.22 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1ljf s ALA 42 CO 0.25 -0.70 -0.02 0.95 0.00 0.00 0.00 175.76 176.25 1ljf s THR 43 N -0.74 0.11 -0.14 0.00 -4.23 -1.26 -1.11 115.64 108.27 1ljf s THR 43 Ca 0.53 -0.28 -0.03 0.00 -1.18 0.00 0.00 61.69 60.73 1ljf s THR 43 Cb -0.41 -0.14 0.05 0.00 1.34 0.00 0.00 72.50 73.34 1ljf s THR 43 CO 0.50 -0.11 0.05 0.21 -0.54 0.00 0.00 174.62 174.73 1ljf s ASN 44 N -0.40 2.19 0.03 3.99 3.04 -0.24 -4.94 114.94 118.60 1ljf s ASN 44 Ca -0.04 -0.47 -0.28 0.00 0.04 0.00 0.00 52.86 52.12 1ljf s ASN 44 Cb -0.03 -0.38 -0.04 0.00 -1.54 0.00 0.00 41.25 39.26 1ljf s ASN 44 CO -0.00 -0.29 0.89 -0.60 -3.04 0.00 0.00 177.10 174.06 1ljf s ARG 45 N 2.02 4.57 0.07 0.43 3.00 -1.26 0.37 118.95 128.14 1ljf s ARG 45 Ca 0.02 1.28 0.03 0.00 -1.00 0.00 0.00 55.73 56.06 1ljf s ARG 45 Cb -0.15 -3.42 -0.04 0.00 0.00 0.00 0.00 34.95 31.34 1ljf s ARG 45 CO -0.07 0.10 0.06 -0.80 0.00 0.00 0.00 175.30 174.59 1ljf s ASN 46 N 0.50 5.42 0.43 -2.12 0.01 0.21 -4.97 114.94 114.43 1ljf s ASN 46 Ca 0.46 -0.03 0.30 0.00 -0.71 0.00 0.00 52.86 52.87 1ljf s ASN 46 Cb -0.21 -1.43 1.55 0.00 0.41 0.00 0.00 41.25 41.57 1ljf s ASN 46 CO 0.26 0.19 1.90 0.71 -1.51 0.00 0.00 177.10 178.65 1ljf h THR 47 N 2.74 0.00 -0.18 1.60 1.35 -1.97 -1.43 112.91 115.03 1ljf h THR 47 Ca -0.47 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1ljf h THR 47 Cb 1.17 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1ljf h THR 47 CO 0.64 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 1ljf n ASP 48 N -2.55 1.22 0.00 5.36 5.75 -1.26 -4.88 116.55 120.18 1ljf n ASP 48 Ca -0.01 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1ljf n ASP 48 Cb 0.08 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1ljf n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ljf n GLY 49 N 0.96 1.01 3.99 6.12 0.00 -0.54 -4.80 105.19 111.93 1ljf n GLY 49 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1ljf n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ljf s SER 50 N -2.93 5.93 0.00 1.61 1.04 -1.25 -4.53 113.70 113.57 1ljf s SER 50 Ca 0.00 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.16 1ljf s SER 50 Cb 0.00 -1.17 -0.00 0.00 0.10 0.00 0.00 66.02 64.95 1ljf s SER 50 CO 0.00 -0.46 0.10 0.42 0.98 0.00 0.00 173.24 174.28 1ljf s THR 51 N -2.19 0.08 -0.10 2.02 -4.23 -1.26 0.67 115.64 110.63 1ljf s THR 51 Ca 0.46 -0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 60.16 1ljf s THR 51 Cb -0.10 -0.37 -0.05 0.00 1.34 0.00 0.00 72.50 73.32 1ljf s THR 51 CO 0.31 -0.36 0.37 -1.81 -0.54 0.00 0.00 174.62 172.59 1ljf s ASP 52 N -1.25 6.62 -0.00 3.99 1.01 0.16 -2.06 116.67 125.14 1ljf s ASP 52 Ca -0.13 0.74 0.08 0.00 0.71 0.00 0.00 52.55 53.94 1ljf s ASP 52 Cb -0.07 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.61 1ljf s ASP 52 CO 0.01 0.16 -0.26 -0.31 0.21 0.00 0.00 175.17 174.98 1ljf s TYR 53 N -0.05 2.30 0.00 4.23 1.51 -0.54 -1.08 117.35 123.72 1ljf s TYR 53 Ca 0.21 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1ljf s TYR 53 Cb -0.15 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1ljf s TYR 53 CO 0.09 0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.94 1ljf n GLY 54 N 2.26 -1.99 0.32 0.71 0.00 -0.27 -1.74 105.19 104.48 1ljf n GLY 54 Ca -0.16 -1.39 0.16 0.00 0.00 0.00 0.00 46.02 44.63 1ljf n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ljf h ILE 55 N -0.02 0.58 -0.20 -0.61 2.10 -1.72 -1.66 117.51 115.99 1ljf h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ljf h ILE 55 Cb 0.02 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 36.64 1ljf h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1ljf n LEU 56 N -3.97 2.58 -3.90 2.19 4.77 -1.26 -4.13 117.00 113.29 1ljf n LEU 56 Ca 0.01 -2.06 -0.38 0.00 -0.03 0.00 0.00 56.01 53.55 1ljf n LEU 56 Cb 0.26 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1ljf n LEU 56 CO 0.29 0.64 -0.14 0.00 -1.33 0.00 0.00 177.39 176.85 1ljf n GLN 57 N 0.04 -0.74 -2.96 3.23 1.13 -0.62 -4.91 117.38 112.54 1ljf n GLN 57 Ca 0.07 0.34 -0.40 0.00 -1.94 0.00 0.00 57.00 55.07 1ljf n GLN 57 Cb 0.38 -2.96 -0.04 0.00 0.11 0.00 0.00 30.24 27.73 1ljf n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ljf s ILE 58 N -3.39 4.99 0.16 5.09 1.01 -0.71 -4.51 121.20 123.84 1ljf s ILE 58 Ca 0.38 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 62.32 1ljf s ILE 58 Cb -0.19 -4.11 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 1ljf s ILE 58 CO 0.93 0.21 1.02 0.21 0.00 0.00 0.00 174.94 177.30 1ljf s ASN 59 N 0.89 7.41 0.14 3.58 3.84 -1.26 -1.47 114.94 128.07 1ljf s ASN 59 Ca 0.40 1.96 0.22 0.00 0.21 0.00 0.00 52.86 55.65 1ljf s ASN 59 Cb -0.18 -2.60 0.88 0.00 -0.55 0.00 0.00 41.25 38.79 1ljf s ASN 59 CO 0.19 -0.10 1.67 -1.54 -2.79 0.00 0.00 177.10 174.54 1ljf n SER 60 N 2.37 0.41 -0.01 -4.21 3.41 -0.87 -2.35 113.62 112.37 1ljf n SER 60 Ca 0.02 0.58 -0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1ljf n SER 60 Cb 0.47 -0.68 0.29 0.00 -0.26 0.00 0.00 64.21 64.04 1ljf n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ljf h ARG 61 N 0.00 0.55 0.00 4.33 9.65 -1.86 -3.39 114.38 123.66 1ljf h ARG 61 Ca 0.00 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1ljf h ARG 61 Cb 0.41 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1ljf h ARG 61 CO 0.00 0.56 -0.80 0.91 2.80 0.00 0.00 179.97 183.44 1ljf n TRP 62 N -4.29 0.00 0.00 2.20 7.02 -1.22 -3.18 117.44 117.97 1ljf n TRP 62 Ca 0.02 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.52 1ljf n TRP 62 Cb 0.24 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.02 1ljf n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ljf n TRP 63 N -1.79 0.50 -3.98 -5.99 7.02 -0.99 -0.99 117.44 111.22 1ljf n TRP 63 Ca 0.00 0.16 -0.09 0.00 -1.02 0.00 0.00 57.50 56.55 1ljf n TRP 63 Cb 0.40 -0.88 -0.08 0.00 -2.42 0.00 0.00 31.31 28.33 1ljf n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ljf s ASN 65 N -2.95 5.52 -0.05 0.00 2.47 -0.68 -4.66 114.94 114.59 1ljf s ASN 65 Ca 0.15 -0.46 0.11 0.00 0.42 0.00 0.00 52.86 53.07 1ljf s ASN 65 Cb 0.05 -2.00 0.30 0.00 -1.45 0.00 0.00 41.25 38.15 1ljf s ASN 65 CO -0.03 -0.17 1.24 -0.90 -3.72 0.00 0.00 177.10 173.52 1ljf n ASP 66 N 4.98 2.95 0.00 -4.21 5.68 -1.26 -1.65 116.55 123.03 1ljf n ASP 66 Ca -0.14 -2.33 0.00 0.00 -0.50 0.00 0.00 54.79 51.82 1ljf n ASP 66 Cb 0.49 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1ljf n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ljf n GLY 67 N -0.06 0.19 0.11 6.12 0.00 -1.26 -4.72 105.19 105.58 1ljf n GLY 67 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 1ljf n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ljf n ARG 68 N -1.87 0.72 -3.85 1.61 1.85 -1.26 -5.07 116.66 108.79 1ljf n ARG 68 Ca 0.00 -1.00 -0.35 0.00 -1.00 0.00 0.00 57.85 55.50 1ljf n ARG 68 Cb 0.02 -0.69 -0.08 0.00 -1.05 0.00 0.00 32.46 30.66 1ljf n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ljf s THR 69 N -0.46 5.25 0.13 8.89 2.01 -1.26 -4.93 115.64 125.26 1ljf s THR 69 Ca 0.03 0.13 -0.34 0.00 0.31 0.00 0.00 61.69 61.82 1ljf s THR 69 Cb 0.02 -3.36 -0.17 0.00 0.01 0.00 0.00 72.50 69.01 1ljf s THR 69 CO 0.00 0.49 0.98 -2.65 -0.69 0.00 0.00 174.62 172.75 1ljf n PRO 70 N 3.13 0.53 -1.01 4.92 -0.02 -1.26 -0.53 135.00 140.76 1ljf n PRO 70 Ca -0.17 0.19 -0.07 0.00 -2.02 0.00 0.00 63.50 61.43 1ljf n PRO 70 Cb 0.53 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 1ljf n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ljf n GLY 71 N 1.85 0.65 0.00 -1.23 0.00 -1.26 -4.59 105.19 100.61 1ljf n GLY 71 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ljf n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ljf n SER 72 N 0.12 0.00 -4.94 1.61 2.88 0.31 -4.91 113.62 108.69 1ljf n SER 72 Ca -0.07 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.23 1ljf n SER 72 Cb 0.34 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.81 1ljf n SER 72 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ljf s ARG 73 N 0.00 3.21 -0.42 -1.46 0.52 -1.19 -5.04 118.95 114.57 1ljf s ARG 73 Ca 0.00 -0.30 0.08 0.00 -0.52 0.00 0.00 55.73 54.99 1ljf s ARG 73 Cb 0.00 -2.52 0.30 0.00 0.52 0.00 0.00 34.95 33.24 1ljf s ARG 73 CO 0.00 -0.22 0.79 -1.71 0.02 0.00 0.00 175.30 174.18 1ljf n ASN 74 N -2.10 -0.77 0.27 0.23 5.15 -1.21 -4.21 115.26 112.62 1ljf n ASN 74 Ca 0.00 -3.14 0.15 0.00 -0.60 0.00 0.00 54.58 50.99 1ljf n ASN 74 Cb 0.57 0.42 0.86 0.00 -0.53 0.00 0.00 39.78 41.10 1ljf n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ljf h LEU 75 N 3.46 0.00 -0.99 1.20 3.38 -1.17 -0.73 115.31 120.46 1ljf h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ljf h LEU 75 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ljf h LEU 75 CO 0.37 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.78 1ljf n ASN 77 N 0.10 -2.95 -3.69 0.00 5.15 -0.28 -4.98 115.26 108.62 1ljf n ASN 77 Ca 0.15 -0.93 -0.13 0.00 -0.60 0.00 0.00 54.58 53.07 1ljf n ASN 77 Cb 0.41 -3.64 -0.07 0.00 -0.53 0.00 0.00 39.78 35.95 1ljf n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ljf s ILE 78 N -3.64 0.06 0.34 -1.44 -4.36 -1.26 -5.08 121.20 105.82 1ljf s ILE 78 Ca 0.22 -0.51 -0.27 0.00 -0.26 0.00 0.00 60.65 59.83 1ljf s ILE 78 Cb -0.07 -0.93 -0.09 0.00 1.25 0.00 0.00 42.46 42.62 1ljf s ILE 78 CO 0.84 -0.28 1.06 -2.84 0.24 0.00 0.00 174.94 173.97 1ljf s PRO 79 N -2.40 4.39 0.58 0.37 0.02 -1.26 -1.68 135.00 135.02 1ljf s PRO 79 Ca -0.06 1.63 0.28 0.00 0.02 0.00 0.00 61.00 62.87 1ljf s PRO 79 Cb -0.01 -2.85 1.73 0.00 0.02 0.00 0.00 34.50 33.39 1ljf s PRO 79 CO -0.02 0.04 2.23 0.00 -0.33 0.00 0.00 177.00 178.92 1ljf h SER 81 N 0.00 0.00 0.57 0.00 4.64 -1.90 -1.01 113.55 115.85 1ljf h SER 81 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ljf h SER 81 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1ljf h SER 81 CO 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1ljf h ALA 82 N 1.94 1.00 -0.01 5.18 0.00 -1.55 -1.35 119.26 124.48 1ljf h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ljf h ALA 82 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ljf h ALA 82 CO 0.01 0.00 -0.06 1.28 0.00 0.00 0.00 179.25 180.47 1ljf n LEU 83 N -3.07 0.68 -0.93 0.00 4.77 -0.38 -3.39 117.00 114.68 1ljf n LEU 83 Ca -0.01 -0.15 0.11 0.00 -0.03 0.00 0.00 56.01 55.93 1ljf n LEU 83 Cb 0.20 -0.09 0.12 0.00 -2.33 0.00 0.00 43.42 41.33 1ljf n LEU 83 CO 0.24 0.12 0.62 0.18 -1.33 0.00 0.00 177.39 177.22 1ljf n LEU 84 N -0.63 2.97 -4.80 2.23 4.32 -0.51 -3.74 117.00 116.85 1ljf n LEU 84 Ca 0.18 -1.16 -0.32 0.00 -0.02 0.00 0.00 56.01 54.69 1ljf n LEU 84 Cb 0.26 -0.07 0.04 0.00 -1.62 0.00 0.00 43.42 42.03 1ljf n LEU 84 CO 0.21 0.55 0.72 -0.55 -1.22 0.00 0.00 177.39 177.10 1ljf s SER 85 N -1.68 5.38 0.05 -1.43 0.15 -1.22 -4.48 113.70 110.47 1ljf s SER 85 Ca 0.29 1.80 0.27 0.00 0.70 0.00 0.00 55.95 59.00 1ljf s SER 85 Cb 0.19 -2.52 1.08 0.00 -1.71 0.00 0.00 66.02 63.05 1ljf s SER 85 CO 0.28 -1.44 1.84 -1.54 1.20 0.00 0.00 173.24 173.58 1ljf n SER 86 N -2.60 0.19 -4.56 5.45 3.41 -1.26 -4.49 113.62 109.77 1ljf n SER 86 Ca 0.09 0.52 -0.42 0.00 -0.26 0.00 0.00 58.87 58.80 1ljf n SER 86 Cb 0.53 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.83 1ljf n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ljf s ASP 87 N -3.36 6.35 0.00 4.04 2.15 -1.26 -4.96 116.67 119.63 1ljf s ASP 87 Ca 0.12 -0.02 0.20 0.00 0.43 0.00 0.00 52.55 53.28 1ljf s ASP 87 Cb 0.16 -2.29 1.11 0.00 -0.30 0.00 0.00 42.92 41.60 1ljf s ASP 87 CO 0.51 -0.55 1.72 2.30 -0.17 0.00 0.00 175.17 178.98 1ljf n ILE 88 N 5.53 0.03 -0.11 4.11 -5.35 -1.26 -4.34 119.36 117.96 1ljf n ILE 88 Ca -0.03 -0.06 -0.05 0.00 -0.27 0.00 0.00 62.75 62.33 1ljf n ILE 88 Cb 0.49 -0.18 0.01 0.00 -1.74 0.00 0.00 39.64 38.21 1ljf n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ljf h THR 89 N 0.40 0.47 -0.59 7.28 2.02 -1.94 -0.43 112.91 120.13 1ljf h THR 89 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ljf h THR 89 Cb 0.09 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1ljf h THR 89 CO 0.00 0.00 0.39 0.00 0.37 0.00 0.00 175.52 176.28 1ljf h ALA 90 N 1.20 0.75 -0.28 6.16 0.00 -1.84 -0.80 119.26 124.45 1ljf h ALA 90 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ljf h ALA 90 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ljf h ALA 90 CO -0.45 0.19 0.11 0.77 0.00 0.00 0.00 179.25 179.87 1ljf h SER 91 N 0.80 0.39 -0.44 0.00 0.02 -1.70 -1.83 113.55 110.80 1ljf h SER 91 Ca 0.22 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1ljf h SER 91 Cb -0.08 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1ljf h SER 91 CO -0.05 0.45 0.18 0.58 -1.14 0.00 0.00 176.83 176.85 1ljf h VAL 92 N 0.30 1.20 -0.57 2.27 2.07 -0.88 -0.07 116.25 120.57 1ljf h VAL 92 Ca 0.09 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1ljf h VAL 92 Cb 0.19 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1ljf h VAL 92 CO -0.01 0.23 0.08 0.78 0.02 0.00 0.00 177.57 178.67 1ljf h ASN 93 N 0.56 0.88 -0.34 0.57 2.35 -1.10 -1.77 115.58 116.72 1ljf h ASN 93 Ca 0.15 -0.19 -0.15 0.00 -0.55 0.00 0.00 56.30 55.55 1ljf h ASN 93 Cb 0.18 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1ljf h ASN 93 CO -0.01 0.89 -0.37 0.00 -1.65 0.00 0.00 177.43 176.29 1ljf h ALA 95 N 0.74 1.86 -0.56 0.00 0.00 -0.71 -0.75 119.26 119.84 1ljf h ALA 95 Ca 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ljf h ALA 95 Cb 0.96 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1ljf h ALA 95 CO 0.09 0.07 0.12 0.87 0.00 0.00 0.00 179.25 180.41 1ljf h LYS 96 N 0.46 0.87 -0.21 0.00 1.57 -1.07 -1.29 116.57 116.89 1ljf h LYS 96 Ca 0.20 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 1ljf h LYS 96 Cb 0.20 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ljf h LYS 96 CO -0.05 0.78 -0.54 0.87 -0.57 0.00 0.00 179.45 179.94 1ljf h LYS 97 N 0.83 0.74 0.25 3.15 1.57 -1.13 -3.11 116.57 118.86 1ljf h LYS 97 Ca 0.18 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1ljf h LYS 97 Cb 0.32 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1ljf h LYS 97 CO 0.00 1.14 -0.12 0.82 -0.57 0.00 0.00 179.45 180.72 1ljf h ILE 98 N 0.46 0.77 0.00 1.86 2.04 -1.05 -2.34 117.51 119.25 1ljf h ILE 98 Ca -0.01 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1ljf h ILE 98 Cb 1.16 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1ljf h ILE 98 CO 0.12 0.01 0.00 0.55 0.00 0.00 0.00 178.15 178.83 1ljf n VAL 99 N -5.22 1.38 1.03 1.67 3.14 -0.51 -0.75 118.33 119.07 1ljf n VAL 99 Ca -0.09 0.41 0.11 0.00 -2.96 0.00 0.00 64.34 61.81 1ljf n VAL 99 Cb 0.16 -1.32 0.06 0.00 -1.06 0.00 0.00 33.84 31.68 1ljf n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1ljf n SER 100 N -1.69 2.23 0.00 6.55 7.64 -0.92 -3.82 113.62 123.61 1ljf n SER 100 Ca 0.01 -1.61 0.11 0.00 1.01 0.00 0.00 58.87 58.39 1ljf n SER 100 Cb 0.09 0.32 0.58 0.00 -1.01 0.00 0.00 64.21 64.19 1ljf n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ljf n ASP 101 N 0.32 0.00 0.00 6.43 2.03 0.07 -4.87 116.55 120.53 1ljf n ASP 101 Ca 0.11 -0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1ljf n ASP 101 Cb 0.50 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1ljf n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ljf n GLY 102 N 0.49 1.29 0.00 0.27 0.00 -1.26 -4.95 105.19 101.02 1ljf n GLY 102 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ljf n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ljf n ASN 103 N 0.00 1.59 0.00 1.61 4.05 -1.26 -5.10 115.26 116.15 1ljf n ASN 103 Ca 0.00 -1.74 0.00 0.00 0.45 0.00 0.00 54.58 53.29 1ljf n ASN 103 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1ljf n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ljf n GLY 104 N -0.37 2.47 0.12 8.20 0.00 -1.25 -1.90 105.19 112.46 1ljf n GLY 104 Ca 0.00 -0.40 0.15 0.00 0.00 0.00 0.00 46.02 45.78 1ljf n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ljf n MET 105 N 11.47 1.14 0.00 1.61 2.81 -1.26 -3.42 117.12 129.46 1ljf n MET 105 Ca 0.00 -0.24 0.06 0.00 -1.81 0.00 0.00 57.70 55.71 1ljf n MET 105 Cb 0.00 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.31 1ljf n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ljf n ASN 106 N -0.72 0.00 0.16 7.83 3.02 -0.80 -1.69 115.26 123.06 1ljf n ASN 106 Ca 0.22 0.17 0.13 0.00 -0.03 0.00 0.00 54.58 55.08 1ljf n ASN 106 Cb 0.18 -0.32 0.52 0.00 -0.61 0.00 0.00 39.78 39.55 1ljf n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ljf h ALA 107 N 2.54 1.00 -2.85 5.41 0.00 -1.70 -3.39 119.26 120.28 1ljf h ALA 107 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1ljf h ALA 107 Cb 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.66 1ljf h ALA 107 CO 0.00 0.00 -0.51 -1.58 0.00 0.00 0.00 179.25 177.16 1ljf s TRP 108 N -3.37 3.27 0.22 0.00 0.51 -0.68 -4.98 118.94 113.91 1ljf s TRP 108 Ca 0.04 -1.18 -0.08 0.00 -2.12 0.00 0.00 56.10 52.76 1ljf s TRP 108 Cb 0.09 -2.55 0.30 0.00 -0.81 0.00 0.00 33.47 30.50 1ljf s TRP 108 CO 0.43 -0.72 1.79 0.28 -0.51 0.00 0.00 176.95 178.23 1ljf h VAL 109 N 5.98 0.89 -0.43 4.03 2.07 -1.86 -1.88 116.25 125.04 1ljf h VAL 109 Ca -0.24 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1ljf h VAL 109 Cb 1.09 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1ljf h VAL 109 CO 0.68 0.12 0.15 0.00 0.02 0.00 0.00 177.57 178.54 1ljf h ALA 110 N 1.40 1.44 -0.50 1.67 0.00 -1.93 -2.03 119.26 119.31 1ljf h ALA 110 Ca 0.33 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1ljf h ALA 110 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ljf h ALA 110 CO -0.23 0.42 -0.02 2.35 0.00 0.00 0.00 179.25 181.77 1ljf h TRP 111 N 0.62 0.99 -0.33 0.00 7.01 -1.66 -0.60 115.95 121.97 1ljf h TRP 111 Ca 0.15 -0.18 -0.06 0.00 2.11 0.00 0.00 58.89 60.91 1ljf h TRP 111 Cb 0.17 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1ljf h TRP 111 CO 0.01 0.93 -0.03 0.00 -2.79 0.00 0.00 178.44 176.55 1ljf h ARG 112 N 0.76 0.53 0.00 2.65 3.08 -0.86 0.12 114.38 120.67 1ljf h ARG 112 Ca 0.14 -0.12 -0.24 0.00 0.07 0.00 0.00 59.98 59.83 1ljf h ARG 112 Cb 0.54 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1ljf h ARG 112 CO 0.03 0.58 -1.49 -0.91 -1.07 0.00 0.00 179.97 177.11 1ljf h ASN 113 N 0.50 0.00 0.00 7.04 -0.26 -1.24 -3.39 115.58 118.23 1ljf h ASN 113 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1ljf h ASN 113 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1ljf h ASN 113 CO 0.02 0.86 -0.10 0.54 -1.06 0.00 0.00 177.43 177.68 1ljf n ARG 114 N -3.04 5.94 -0.01 0.81 5.12 -0.25 -4.88 116.66 120.35 1ljf n ARG 114 Ca -0.12 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.78 1ljf n ARG 114 Cb 0.96 -0.52 -0.01 0.00 -1.16 0.00 0.00 32.46 31.73 1ljf n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ljf n LYS 116 N -2.75 1.93 -0.96 0.00 4.81 0.26 -1.74 118.16 119.70 1ljf n LYS 116 Ca -0.05 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1ljf n LYS 116 Cb 0.54 -2.35 0.00 0.00 0.02 0.00 0.00 35.03 33.25 1ljf n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ljf n GLY 117 N 2.37 0.82 3.83 3.14 0.00 -1.26 -4.96 105.19 109.13 1ljf n GLY 117 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1ljf n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ljf s THR 118 N -3.25 2.28 -1.10 2.61 -1.32 -0.71 -5.03 115.64 109.13 1ljf s THR 118 Ca 0.00 -1.51 -0.18 0.00 -1.21 0.00 0.00 61.69 58.79 1ljf s THR 118 Cb 0.00 -2.79 0.12 0.00 -1.51 0.00 0.00 72.50 68.32 1ljf s THR 118 CO 0.00 0.00 1.38 -0.62 -2.21 0.00 0.00 174.62 173.17 1ljf s ASP 119 N -4.08 6.79 0.23 8.08 2.15 -1.26 -4.80 116.67 123.78 1ljf s ASP 119 Ca 0.42 -2.33 0.19 0.00 0.43 0.00 0.00 52.55 51.25 1ljf s ASP 119 Cb -0.00 -2.46 0.90 0.00 -0.30 0.00 0.00 42.92 41.07 1ljf s ASP 119 CO 0.24 -1.04 1.57 1.33 -0.17 0.00 0.00 175.17 177.10 1ljf n VAL 120 N 5.56 1.09 0.31 1.11 0.24 -1.26 -1.99 118.33 123.40 1ljf n VAL 120 Ca 0.34 0.49 0.18 0.00 -2.04 0.00 0.00 64.34 63.31 1ljf n VAL 120 Cb 0.47 -1.44 1.03 0.00 -1.47 0.00 0.00 33.84 32.42 1ljf n VAL 120 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1ljf h GLN 121 N 0.00 0.00 0.00 7.34 5.75 -1.88 -0.81 115.11 125.51 1ljf h GLN 121 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1ljf h GLN 121 Cb 0.15 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1ljf h GLN 121 CO 0.00 0.01 -0.12 0.00 -2.65 0.00 0.00 178.83 176.07 1ljf h ALA 122 N 1.99 1.40 0.00 3.38 0.00 -1.79 -2.33 119.26 121.91 1ljf h ALA 122 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ljf h ALA 122 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ljf h ALA 122 CO 0.00 0.15 0.00 0.91 0.00 0.00 0.00 179.25 180.31 1ljf n TRP 123 N -3.82 0.83 -0.54 0.00 7.02 -0.31 -1.81 117.44 118.81 1ljf n TRP 123 Ca -0.02 0.33 0.06 0.00 -1.02 0.00 0.00 57.50 56.85 1ljf n TRP 123 Cb 0.22 -1.03 0.14 0.00 -2.42 0.00 0.00 31.31 28.22 1ljf n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1ljf n ILE 124 N -2.26 1.52 -1.92 -0.99 -5.35 -0.88 -4.82 119.36 104.66 1ljf n ILE 124 Ca 0.02 -1.50 -0.42 0.00 -0.27 0.00 0.00 62.75 60.58 1ljf n ILE 124 Cb 0.22 0.15 -0.02 0.00 -1.74 0.00 0.00 39.64 38.24 1ljf n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ljf s ARG 125 N -1.88 4.21 0.00 6.28 3.52 -0.75 -2.00 118.95 128.33 1ljf s ARG 125 Ca 0.24 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 58.24 1ljf s ARG 125 Cb 0.18 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1ljf s ARG 125 CO 0.07 -0.55 0.00 0.41 -0.81 0.00 0.00 175.30 174.42 1ljf n GLY 126 N 2.87 1.17 0.09 8.12 0.00 -1.26 -4.86 105.19 111.31 1ljf n GLY 126 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1ljf n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ljf n ARG 128 N -3.28 -0.35 0.00 0.00 1.74 -1.26 -5.11 116.66 108.40 1ljf n ARG 128 Ca -0.12 -0.05 0.11 0.00 -0.77 0.00 0.00 57.85 57.02 1ljf n ARG 128 Cb 1.02 -1.85 0.68 0.00 -1.02 0.00 0.00 32.46 31.29 1ljf n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39