#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 3.94 0.44 3.15 1.01 -1.26 -1.67 120.40 126.01 1ljf s VAL 2 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 1ljf s VAL 2 Cb 0.00 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 1ljf s VAL 2 CO 0.00 0.10 1.00 -0.36 0.00 0.00 0.00 175.10 175.84 1ljf s PHE 3 N 1.50 3.22 0.65 5.22 0.40 -0.58 -5.03 117.98 123.36 1ljf s PHE 3 Ca 0.03 1.62 -0.11 0.00 -0.60 0.00 0.00 56.93 57.87 1ljf s PHE 3 Cb -0.17 -2.98 -0.01 0.00 0.51 0.00 0.00 43.02 40.37 1ljf s PHE 3 CO 0.02 -0.43 1.05 0.20 0.70 0.00 0.00 175.22 176.76 1ljf s GLY 4 N -1.97 1.64 0.08 4.36 0.00 -1.26 -4.87 107.32 105.30 1ljf s GLY 4 Ca 0.62 -0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.82 1ljf s GLY 4 CO 0.19 0.09 1.65 -0.09 0.00 0.00 0.00 173.10 174.94 1ljf h ARG 5 N -0.46 -0.60 -0.17 2.90 2.43 -1.97 -1.76 114.38 114.75 1ljf h ARG 5 Ca -0.45 0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.66 1ljf h ARG 5 Cb 1.22 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1ljf h ARG 5 CO 0.63 -0.40 -0.37 0.00 -1.51 0.00 0.00 179.97 178.32 1ljf h GLU 7 N 0.30 0.69 -0.47 0.00 4.81 -1.91 0.80 114.58 118.80 1ljf h GLU 7 Ca 0.03 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1ljf h GLU 7 Cb 0.79 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1ljf h GLU 7 CO 0.06 0.46 -0.24 1.25 -0.73 0.00 0.00 179.01 179.81 1ljf h LEU 8 N 0.71 1.03 -0.77 1.64 5.85 -1.10 -2.09 115.31 120.58 1ljf h LEU 8 Ca 0.25 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1ljf h LEU 8 Cb 0.06 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 1ljf h LEU 8 CO -0.12 1.21 0.49 0.00 -0.34 0.00 0.00 178.44 179.68 1ljf h ALA 9 N 0.86 1.02 -0.45 1.25 0.00 -0.54 0.45 119.26 121.84 1ljf h ALA 9 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ljf h ALA 9 Cb 0.82 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ljf h ALA 9 CO 0.07 0.29 0.08 0.00 0.00 0.00 0.00 179.25 179.70 1ljf h ALA 10 N 1.33 0.60 -0.47 0.00 0.00 -0.73 -0.83 119.26 119.16 1ljf h ALA 10 Ca 0.31 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ljf h ALA 10 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ljf h ALA 10 CO -0.11 0.31 0.30 0.00 0.00 0.00 0.00 179.25 179.75 1ljf h ALA 11 N 0.95 0.60 -0.41 0.00 0.00 -0.72 -0.48 119.26 119.21 1ljf h ALA 11 Ca 0.14 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1ljf h ALA 11 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ljf h ALA 11 CO 0.01 0.03 -0.10 0.52 0.00 0.00 0.00 179.25 179.71 1ljf h MET 12 N 0.62 0.78 -0.50 0.00 2.86 -0.78 -2.22 114.93 115.68 1ljf h MET 12 Ca 0.18 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1ljf h MET 12 Cb -0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1ljf h MET 12 CO -0.05 0.91 0.18 -0.22 1.06 0.00 0.00 176.91 178.79 1ljf h LYS 13 N 0.60 0.72 -0.07 1.72 3.64 -0.94 -1.35 116.57 120.89 1ljf h LYS 13 Ca 0.10 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1ljf h LYS 13 Cb 0.62 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1ljf h LYS 13 CO 0.04 0.61 -0.23 -0.09 -2.27 0.00 0.00 179.45 177.51 1ljf h ARG 14 N 0.71 0.12 -0.63 1.90 2.43 -0.82 -2.43 114.38 115.66 1ljf h ARG 14 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1ljf h ARG 14 Cb 0.17 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1ljf h ARG 14 CO -0.01 0.35 0.00 0.72 -1.51 0.00 0.00 179.97 179.52 1ljf n HIS 15 N -4.22 1.16 -1.42 2.20 8.25 -0.57 -4.94 115.22 115.68 1ljf n HIS 15 Ca -0.01 -0.45 -0.04 0.00 -0.26 0.00 0.00 57.72 56.95 1ljf n HIS 15 Cb 0.32 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 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 0.83 0.56 0.16 -1.41 0.00 -0.91 -4.96 105.19 99.45 1ljf n GLY 16 Ca 0.19 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.51 1ljf n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ljf h LEU 17 N 0.00 0.00 -9.03 0.99 3.38 -1.60 -3.40 115.31 105.65 1ljf h LEU 17 Ca -0.10 -0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.29 1ljf h LEU 17 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1ljf h LEU 17 CO 0.13 0.01 1.23 -0.62 0.09 0.00 0.00 178.44 179.28 1ljf s ASP 18 N -5.56 6.15 -0.01 -0.43 2.15 -1.26 -1.90 116.67 115.81 1ljf s ASP 18 Ca 0.06 1.72 0.00 0.00 0.43 0.00 0.00 52.55 54.76 1ljf s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1ljf s ASP 18 CO 0.69 -1.43 0.00 0.59 -0.17 0.00 0.00 175.17 174.85 1ljf n ASN 19 N 9.21 -3.73 -4.70 -0.34 5.03 0.61 -4.85 115.26 116.50 1ljf n ASN 19 Ca 0.21 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.25 1ljf n ASN 19 Cb 0.45 -1.23 -0.03 0.00 -1.02 0.00 0.00 39.78 37.95 1ljf n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ljf s TYR 20 N -1.76 2.36 -1.55 3.10 5.04 -0.80 -0.49 117.35 123.25 1ljf s TYR 20 Ca 0.00 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 1ljf s TYR 20 Cb 0.00 -4.18 0.00 0.00 0.35 0.00 0.00 41.96 38.13 1ljf s TYR 20 CO 0.00 -4.78 0.00 0.54 -1.34 0.00 0.00 175.55 169.97 1ljf n ARG 21 N 5.17 -1.71 -0.70 4.97 5.12 -1.26 -1.31 116.66 126.93 1ljf n ARG 21 Ca 0.17 0.87 0.00 0.00 -1.93 0.00 0.00 57.85 56.96 1ljf n ARG 21 Cb 0.37 -5.37 0.00 0.00 -1.16 0.00 0.00 32.46 26.30 1ljf n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ljf n GLY 22 N -0.66 0.71 3.49 -0.13 0.00 0.36 -5.04 105.19 103.93 1ljf n GLY 22 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.43 3.22 0.80 1.61 2.02 -0.43 -4.90 117.35 117.24 1ljf s TYR 23 Ca 0.00 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.17 1ljf s TYR 23 Cb 0.00 -2.48 0.07 0.00 -0.40 0.00 0.00 41.96 39.15 1ljf s TYR 23 CO 0.00 -0.44 1.16 -1.13 -1.57 0.00 0.00 175.55 173.57 1ljf n SER 24 N 5.09 0.91 -0.31 2.29 3.41 -1.26 -0.28 113.62 123.46 1ljf n SER 24 Ca -0.12 0.60 0.16 0.00 -0.26 0.00 0.00 58.87 59.24 1ljf n SER 24 Cb 0.49 -1.49 0.40 0.00 -0.26 0.00 0.00 64.21 63.35 1ljf n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ljf h LEU 25 N -0.80 0.63 -1.57 1.04 5.85 -1.89 -0.04 115.31 118.53 1ljf h LEU 25 Ca -0.46 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.41 1ljf h LEU 25 Cb 1.30 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1ljf h LEU 25 CO 0.46 0.24 0.40 1.23 -0.34 0.00 0.00 178.44 180.42 1ljf h GLY 26 N 0.62 0.66 1.00 3.75 0.00 -1.90 -1.74 103.07 105.46 1ljf h GLY 26 Ca 0.53 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.61 1ljf h GLY 26 CO -0.29 0.14 0.16 3.43 0.00 0.00 0.00 176.54 179.98 1ljf h ASN 27 N 0.50 0.86 -0.36 0.19 2.35 -1.23 -1.15 115.58 116.74 1ljf h ASN 27 Ca 0.27 -0.22 -0.15 0.00 -0.55 0.00 0.00 56.30 55.65 1ljf h ASN 27 Cb 0.40 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1ljf h ASN 27 CO -0.08 0.85 -0.37 -0.50 -1.65 0.00 0.00 177.43 175.68 1ljf h TRP 28 N 0.82 1.06 -0.57 1.19 4.06 -1.37 -0.66 115.95 120.47 1ljf h TRP 28 Ca 0.18 -0.32 -0.10 0.00 2.06 0.00 0.00 58.89 60.71 1ljf h TRP 28 Cb 0.32 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 1ljf h TRP 28 CO 0.02 1.13 -0.02 0.28 -3.56 0.00 0.00 178.44 176.29 1ljf h VAL 29 N 0.68 1.26 -0.52 1.49 2.07 -1.35 -0.99 116.25 118.89 1ljf h VAL 29 Ca 0.05 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 1ljf h VAL 29 Cb 0.96 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1ljf h VAL 29 CO 0.09 0.42 -0.02 0.00 0.02 0.00 0.00 177.57 178.08 1ljf h ALA 31 N 0.94 0.88 -0.65 0.00 0.00 -0.87 -2.61 119.26 116.95 1ljf h ALA 31 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1ljf h ALA 31 Cb 0.55 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ljf h ALA 31 CO 0.03 0.49 0.13 0.00 0.00 0.00 0.00 179.25 179.90 1ljf h ALA 32 N 1.13 0.87 -0.34 0.00 0.00 -0.92 0.01 119.26 120.01 1ljf h ALA 32 Ca 0.23 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ljf h ALA 32 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1ljf h ALA 32 CO -0.02 0.61 0.19 -0.22 0.00 0.00 0.00 179.25 179.81 1ljf h LYS 33 N 0.99 0.38 0.00 0.00 3.11 -0.86 -1.68 116.57 118.51 1ljf h LYS 33 Ca 0.20 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 1ljf h LYS 33 Cb 0.40 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1ljf h LYS 33 CO 0.01 0.25 -0.68 0.74 -2.81 0.00 0.00 179.45 176.96 1ljf h PHE 34 N 0.39 0.00 0.15 1.91 0.04 -1.42 0.11 116.94 118.13 1ljf h PHE 34 Ca 0.13 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.59 1ljf h PHE 34 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1ljf h PHE 34 CO -0.08 0.00 -1.49 0.93 -0.60 0.00 0.00 178.31 177.07 1ljf h GLU 35 N 0.00 0.31 0.00 1.51 4.39 -0.89 -3.43 114.58 116.48 1ljf h GLU 35 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1ljf h GLU 35 Cb 0.83 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1ljf h GLU 35 CO 0.00 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 177.93 1ljf n SER 36 N -3.52 0.00 -3.77 1.42 3.41 -0.67 -4.80 113.62 105.68 1ljf n SER 36 Ca -0.16 -1.00 -0.28 0.00 -0.26 0.00 0.00 58.87 57.17 1ljf n SER 36 Cb 1.05 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.04 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 0.00 -5.12 -1.77 4.04 5.15 0.39 -1.79 115.26 116.16 1ljf n ASN 37 Ca 0.00 -0.68 -0.18 0.00 -0.60 0.00 0.00 54.58 53.12 1ljf n ASN 37 Cb 0.38 -4.08 -0.03 0.00 -0.53 0.00 0.00 39.78 35.51 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 -4.69 -0.52 -3.62 1.20 3.72 -1.20 -4.86 117.46 107.48 1ljf n PHE 38 Ca 0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.03 1ljf n PHE 38 Cb 0.54 -3.34 -0.11 0.00 -0.94 0.00 0.00 39.48 35.63 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 -2.43 5.68 0.36 4.37 2.47 -0.74 -1.53 114.94 123.12 1ljf s ASN 39 Ca 0.00 -0.74 0.27 0.00 0.42 0.00 0.00 52.86 52.81 1ljf s ASN 39 Cb 0.00 -2.02 1.24 0.00 -1.45 0.00 0.00 41.25 39.01 1ljf s ASN 39 CO 0.00 -0.29 1.81 0.71 -3.72 0.00 0.00 177.10 175.61 1ljf h THR 40 N 5.74 0.00 -0.02 -5.21 1.35 -1.65 -2.66 112.91 110.47 1ljf h THR 40 Ca -0.29 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1ljf h THR 40 Cb 1.13 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1ljf h THR 40 CO 0.64 0.00 -0.27 0.00 -0.25 0.00 0.00 175.52 175.64 1ljf n GLN 41 N -2.47 1.50 -1.70 4.72 1.13 -1.26 -4.13 117.38 115.17 1ljf n GLN 41 Ca 0.00 -1.18 -0.43 0.00 -1.94 0.00 0.00 57.00 53.45 1ljf n GLN 41 Cb 0.18 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.03 1ljf n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ljf n ALA 42 N 0.28 1.63 -2.94 -1.58 0.00 -1.00 -4.77 120.51 112.13 1ljf n ALA 42 Ca 0.12 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 1ljf n ALA 42 Cb 0.48 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 1ljf n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ljf s THR 43 N -0.21 0.05 -0.09 0.00 -4.23 -1.26 -1.19 115.64 108.72 1ljf s THR 43 Ca 0.65 -0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 1ljf s THR 43 Cb -0.58 -0.15 0.04 0.00 1.34 0.00 0.00 72.50 73.14 1ljf s THR 43 CO 0.51 -0.24 0.08 0.21 -0.54 0.00 0.00 174.62 174.65 1ljf s ASN 44 N -0.71 1.45 0.14 3.99 2.47 -0.63 -4.97 114.94 116.68 1ljf s ASN 44 Ca -0.08 -0.10 -0.28 0.00 0.42 0.00 0.00 52.86 52.82 1ljf s ASN 44 Cb -0.05 -0.11 -0.07 0.00 -1.45 0.00 0.00 41.25 39.57 1ljf s ASN 44 CO -0.00 -0.28 0.87 -0.60 -3.72 0.00 0.00 177.10 173.36 1ljf s ARG 45 N 2.18 4.66 0.30 0.43 3.00 -1.26 -0.27 118.95 127.99 1ljf s ARG 45 Ca 0.04 1.30 0.07 0.00 -1.00 0.00 0.00 55.73 56.14 1ljf s ARG 45 Cb -0.13 -3.32 -0.02 0.00 0.00 0.00 0.00 34.95 31.47 1ljf s ARG 45 CO -0.05 0.39 0.33 -0.80 0.00 0.00 0.00 175.30 175.16 1ljf s ASN 46 N -0.56 5.70 0.00 -2.12 0.01 -0.17 -4.95 114.94 112.84 1ljf s ASN 46 Ca 0.41 -0.26 0.26 0.00 -0.71 0.00 0.00 52.86 52.56 1ljf s ASN 46 Cb -0.23 -1.29 1.56 0.00 0.41 0.00 0.00 41.25 41.70 1ljf s ASN 46 CO 0.28 -0.25 1.92 0.35 -1.51 0.00 0.00 177.10 177.88 1ljf n THR 47 N -1.41 0.00 -0.25 1.60 -2.24 -1.26 -3.13 114.28 107.60 1ljf n THR 47 Ca -0.04 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.85 1ljf n THR 47 Cb 0.58 -0.58 0.29 0.00 -2.10 0.00 0.00 70.33 68.53 1ljf n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ljf n ASP 48 N -0.99 3.79 0.00 3.42 5.75 -1.26 -4.94 116.55 122.32 1ljf n ASP 48 Ca 0.20 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1ljf n ASP 48 Cb 0.09 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 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 1.53 0.99 3.98 6.12 0.00 -1.18 -4.89 105.19 111.74 1ljf n GLY 49 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.22 5.22 0.01 1.61 1.04 -1.26 -4.52 113.70 113.58 1ljf s SER 50 Ca 0.00 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.25 1ljf s SER 50 Cb 0.00 -0.68 -0.01 0.00 0.10 0.00 0.00 66.02 65.43 1ljf s SER 50 CO 0.00 -1.18 0.03 -0.89 0.98 0.00 0.00 173.24 172.18 1ljf s THR 51 N -2.74 0.09 -0.18 2.02 2.01 -1.26 -1.00 115.64 114.58 1ljf s THR 51 Ca 0.58 -0.71 -0.09 0.00 0.31 0.00 0.00 61.69 61.79 1ljf s THR 51 Cb -0.09 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 1ljf s THR 51 CO 0.38 -0.39 0.12 -1.81 -0.69 0.00 0.00 174.62 172.24 1ljf s ASP 52 N -1.21 6.16 0.00 3.53 1.01 0.63 -0.95 116.67 125.85 1ljf s ASP 52 Ca -0.13 0.27 0.08 0.00 0.71 0.00 0.00 52.55 53.47 1ljf s ASP 52 Cb -0.08 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1ljf s ASP 52 CO -0.00 0.24 -0.24 -0.31 0.21 0.00 0.00 175.17 175.06 1ljf s TYR 53 N 0.00 2.17 0.01 4.23 1.51 -0.21 -1.61 117.35 123.45 1ljf s TYR 53 Ca 0.09 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1ljf s TYR 53 Cb -0.11 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1ljf s TYR 53 CO -0.00 0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 1ljf n GLY 54 N 2.28 -2.10 0.32 0.71 0.00 -0.33 -1.37 105.19 104.70 1ljf n GLY 54 Ca -0.16 -1.44 0.15 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.04 0.63 -0.16 -0.61 2.10 -1.72 -1.39 117.51 116.32 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 0.04 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 36.66 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 -4.04 2.77 -3.98 2.19 4.77 -1.26 -4.17 117.00 113.27 1ljf n LEU 56 Ca 0.01 -2.47 -0.39 0.00 -0.03 0.00 0.00 56.01 53.13 1ljf n LEU 56 Cb 0.26 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1ljf n LEU 56 CO 0.30 0.65 -0.18 0.00 -1.33 0.00 0.00 177.39 176.83 1ljf n GLN 57 N -0.42 -0.83 -2.56 3.23 1.13 -0.53 -4.91 117.38 112.50 1ljf n GLN 57 Ca 0.12 0.21 -0.42 0.00 -1.94 0.00 0.00 57.00 54.96 1ljf n GLN 57 Cb 0.53 -3.24 -0.03 0.00 0.11 0.00 0.00 30.24 27.61 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 -3.63 4.37 0.10 5.09 1.01 -0.47 -4.38 121.20 123.30 1ljf s ILE 58 Ca 0.40 1.74 -0.30 0.00 0.00 0.00 0.00 60.65 62.49 1ljf s ILE 58 Cb -0.20 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 1ljf s ILE 58 CO 0.94 0.15 1.10 0.21 0.00 0.00 0.00 174.94 177.34 1ljf s ASN 59 N 0.90 7.24 0.32 3.58 3.84 -1.26 -1.04 114.94 128.52 1ljf s ASN 59 Ca 0.55 1.97 0.26 0.00 0.21 0.00 0.00 52.86 55.85 1ljf s ASN 59 Cb -0.26 -2.59 1.06 0.00 -0.55 0.00 0.00 41.25 38.91 1ljf s ASN 59 CO 0.29 -0.30 1.78 0.77 -2.79 0.00 0.00 177.10 176.85 1ljf h SER 60 N 6.00 0.00 0.55 -4.21 4.64 -1.29 -2.62 113.55 116.62 1ljf h SER 60 Ca -0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.81 1ljf h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1ljf h SER 60 CO 0.76 0.00 -0.41 -0.09 -0.87 0.00 0.00 176.83 176.21 1ljf h ARG 61 N 0.00 0.00 0.00 4.77 2.43 -1.84 -3.39 114.38 116.35 1ljf h ARG 61 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ljf h ARG 61 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1ljf h ARG 61 CO 0.00 0.41 -0.47 0.91 -1.51 0.00 0.00 179.97 179.31 1ljf n TRP 62 N -3.84 0.00 -0.08 2.20 8.01 -1.22 -0.93 117.44 121.57 1ljf n TRP 62 Ca -0.01 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.10 1ljf n TRP 62 Cb 0.47 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.61 1ljf n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 1ljf n TRP 63 N -0.98 0.15 -3.91 -5.99 7.02 -0.99 -1.45 117.44 111.29 1ljf n TRP 63 Ca 0.00 0.05 -0.09 0.00 -1.02 0.00 0.00 57.50 56.45 1ljf n TRP 63 Cb 0.13 -0.98 -0.08 0.00 -2.42 0.00 0.00 31.31 27.95 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 -2.61 5.95 -0.04 0.00 2.47 -0.53 -4.56 114.94 115.62 1ljf s ASN 65 Ca 0.02 -0.00 0.08 0.00 0.42 0.00 0.00 52.86 53.37 1ljf s ASN 65 Cb 0.03 -2.10 0.19 0.00 -1.45 0.00 0.00 41.25 37.93 1ljf s ASN 65 CO -0.09 -0.02 1.14 -0.90 -3.72 0.00 0.00 177.10 173.51 1ljf n ASP 66 N 4.86 2.52 0.00 -4.21 5.75 -1.26 -1.42 116.55 122.79 1ljf n ASP 66 Ca -0.14 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 1ljf n ASP 66 Cb 0.52 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1ljf n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ljf n GLY 67 N -0.33 0.00 1.14 6.12 0.00 -1.26 -4.74 105.19 106.11 1ljf n GLY 67 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 0.47 0.17 -4.06 1.61 1.85 -1.26 -5.04 116.66 110.40 1ljf n ARG 68 Ca 0.00 -1.88 -0.33 0.00 -1.00 0.00 0.00 57.85 54.64 1ljf n ARG 68 Cb 0.40 -0.30 -0.15 0.00 -1.05 0.00 0.00 32.46 31.36 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 -0.35 2.31 0.25 8.89 2.01 -1.26 -4.86 115.64 122.63 1ljf s THR 69 Ca 0.26 -1.19 -0.31 0.00 0.31 0.00 0.00 61.69 60.77 1ljf s THR 69 Cb 0.29 -2.15 -0.14 0.00 0.01 0.00 0.00 72.50 70.51 1ljf s THR 69 CO -0.11 0.27 1.32 -2.65 -0.69 0.00 0.00 174.62 172.75 1ljf n PRO 70 N 4.57 1.88 -2.14 4.92 -0.02 -1.26 -2.11 135.00 140.83 1ljf n PRO 70 Ca -0.18 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 1ljf n PRO 70 Cb 0.47 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 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 1.81 -0.07 3.78 -1.23 0.00 -1.26 -4.91 105.19 103.31 1ljf n GLY 71 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1ljf n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ljf s SER 72 N -2.01 6.43 0.31 1.61 1.04 -0.90 -4.96 113.70 115.22 1ljf s SER 72 Ca 0.00 2.19 0.09 0.00 0.48 0.00 0.00 55.95 58.71 1ljf s SER 72 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 1ljf s SER 72 CO 0.00 -0.73 0.05 -0.60 0.98 0.00 0.00 173.24 172.94 1ljf s ARG 73 N -2.61 2.26 -0.52 4.02 3.52 -0.11 -4.98 118.95 120.52 1ljf s ARG 73 Ca 0.61 -1.55 0.07 0.00 -0.13 0.00 0.00 55.73 54.72 1ljf s ARG 73 Cb -0.26 -2.10 0.24 0.00 -1.56 0.00 0.00 34.95 31.27 1ljf s ARG 73 CO 0.32 0.22 0.60 -1.71 -0.81 0.00 0.00 175.30 173.91 1ljf n ASN 74 N -0.99 1.85 0.28 -2.12 5.15 -1.24 -3.84 115.26 114.34 1ljf n ASN 74 Ca -0.05 -3.02 0.17 0.00 -0.60 0.00 0.00 54.58 51.08 1ljf n ASN 74 Cb 0.61 -0.66 0.79 0.00 -0.53 0.00 0.00 39.78 39.99 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 4.35 0.00 -1.65 1.20 3.38 -1.36 -2.22 115.31 119.00 1ljf h LEU 75 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ljf h LEU 75 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1ljf h LEU 75 CO 0.63 0.05 -0.01 0.00 0.09 0.00 0.00 178.44 179.21 1ljf n ASN 77 N 1.01 -1.50 -3.65 0.00 2.85 -0.84 -5.00 115.26 108.13 1ljf n ASN 77 Ca 0.15 -0.79 -0.14 0.00 -0.11 0.00 0.00 54.58 53.69 1ljf n ASN 77 Cb 0.53 -4.20 -0.07 0.00 1.24 0.00 0.00 39.78 37.28 1ljf n ASN 77 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1ljf s ILE 78 N -3.61 0.04 0.38 -1.44 -5.25 -1.26 -5.07 121.20 104.99 1ljf s ILE 78 Ca 0.04 -0.34 -0.25 0.00 -0.99 0.00 0.00 60.65 59.11 1ljf s ILE 78 Cb -0.02 -0.88 -0.09 0.00 2.95 0.00 0.00 42.46 44.43 1ljf s ILE 78 CO 0.80 -0.19 1.11 -2.16 -1.79 0.00 0.00 174.94 172.71 1ljf s PRO 79 N -1.93 4.20 0.56 0.37 0.04 -1.26 -1.45 135.00 135.53 1ljf s PRO 79 Ca -0.09 1.69 0.24 0.00 0.04 0.00 0.00 61.00 62.88 1ljf s PRO 79 Cb -0.02 -2.71 1.54 0.00 0.04 0.00 0.00 34.50 33.35 1ljf s PRO 79 CO 0.02 -0.15 2.17 0.00 0.04 0.00 0.00 177.00 179.08 1ljf h SER 81 N 0.00 0.00 0.85 0.00 4.64 -1.90 -0.25 113.55 116.88 1ljf h SER 81 Ca 0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1ljf h SER 81 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1ljf h SER 81 CO -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1ljf h ALA 82 N 1.98 1.00 -0.04 5.18 0.00 -1.63 -2.12 119.26 123.63 1ljf h ALA 82 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ljf h ALA 82 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ljf h ALA 82 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ljf n LEU 83 N -3.10 0.57 -0.93 0.00 4.77 -0.11 -3.45 117.00 114.75 1ljf n LEU 83 Ca -0.00 -0.22 0.08 0.00 -0.03 0.00 0.00 56.01 55.83 1ljf n LEU 83 Cb 0.27 -0.02 0.24 0.00 -2.33 0.00 0.00 43.42 41.57 1ljf n LEU 83 CO 0.26 0.11 0.70 0.18 -1.33 0.00 0.00 177.39 177.31 1ljf n LEU 84 N -0.46 3.71 -4.91 2.23 4.77 -0.80 -3.81 117.00 117.73 1ljf n LEU 84 Ca 0.17 -2.54 -0.27 0.00 -0.03 0.00 0.00 56.01 53.34 1ljf n LEU 84 Cb 0.17 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1ljf n LEU 84 CO 0.14 0.72 0.59 -0.94 -1.33 0.00 0.00 177.39 176.56 1ljf s SER 85 N -1.39 5.48 0.46 -1.43 1.04 -1.22 -4.52 113.70 112.13 1ljf s SER 85 Ca 0.37 0.78 0.26 0.00 0.48 0.00 0.00 55.95 57.84 1ljf s SER 85 Cb 0.26 -1.69 0.83 0.00 0.10 0.00 0.00 66.02 65.52 1ljf s SER 85 CO 0.14 -1.18 1.78 0.28 0.98 0.00 0.00 173.24 175.25 1ljf h SER 86 N -0.32 0.00 -3.46 7.02 0.02 -1.93 -3.41 113.55 111.46 1ljf h SER 86 Ca -0.45 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.90 1ljf h SER 86 Cb 1.26 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.70 1ljf h SER 86 CO 0.61 0.11 0.01 -0.62 -1.14 0.00 0.00 176.83 175.80 1ljf s ASP 87 N -6.04 6.59 0.00 3.07 -1.08 -1.26 -4.95 116.67 112.99 1ljf s ASP 87 Ca 0.03 0.71 0.24 0.00 -0.52 0.00 0.00 52.55 53.00 1ljf s ASP 87 Cb 0.08 -2.31 1.14 0.00 -1.46 0.00 0.00 42.92 40.37 1ljf s ASP 87 CO 0.62 -0.22 1.77 2.30 0.52 0.00 0.00 175.17 180.16 1ljf n ILE 88 N 4.65 0.06 -0.17 4.11 -5.35 -1.26 -4.37 119.36 117.03 1ljf n ILE 88 Ca -0.04 -0.16 -0.05 0.00 -0.27 0.00 0.00 62.75 62.23 1ljf n ILE 88 Cb 0.50 0.03 0.01 0.00 -1.74 0.00 0.00 39.64 38.44 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 1.15 0.24 -0.39 7.28 2.02 -1.95 -0.40 112.91 120.85 1ljf h THR 89 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1ljf h THR 89 Cb 0.25 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 1ljf h THR 89 CO 0.00 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.97 1ljf h ALA 90 N 1.03 0.42 -0.59 6.16 0.00 -1.88 -1.45 119.26 122.96 1ljf h ALA 90 Ca 0.22 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1ljf h ALA 90 Cb 0.53 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1ljf h ALA 90 CO -0.62 -0.32 0.31 0.77 0.00 0.00 0.00 179.25 179.40 1ljf h SER 91 N 0.21 0.74 -0.25 0.00 0.02 -1.63 -2.28 113.55 110.37 1ljf h SER 91 Ca 0.19 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1ljf h SER 91 Cb 0.22 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1ljf h SER 91 CO -0.24 0.64 0.09 0.58 -1.14 0.00 0.00 176.83 176.76 1ljf h VAL 92 N 0.80 1.18 -0.44 2.27 2.07 -0.70 0.11 116.25 121.53 1ljf h VAL 92 Ca 0.21 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1ljf h VAL 92 Cb 0.07 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1ljf h VAL 92 CO -0.03 0.18 0.13 0.78 0.02 0.00 0.00 177.57 178.65 1ljf h ASN 93 N 0.24 0.60 -0.14 0.57 2.35 -1.20 0.63 115.58 118.64 1ljf h ASN 93 Ca 0.08 -0.08 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 1ljf h ASN 93 Cb 0.19 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.42 1ljf h ASN 93 CO -0.01 0.58 -0.81 0.00 -1.65 0.00 0.00 177.43 175.55 1ljf h ALA 95 N 0.54 1.25 -0.37 0.00 0.00 -0.16 -1.32 119.26 119.19 1ljf h ALA 95 Ca -0.06 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1ljf h ALA 95 Cb 1.44 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1ljf h ALA 95 CO 0.17 0.62 0.25 0.87 0.00 0.00 0.00 179.25 181.15 1ljf h LYS 96 N 1.17 0.38 0.01 0.00 1.57 -0.84 -0.29 116.57 118.56 1ljf h LYS 96 Ca 0.30 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.86 1ljf h LYS 96 Cb 0.01 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.25 1ljf h LYS 96 CO -0.05 0.25 -0.76 -0.22 -0.57 0.00 0.00 179.45 178.10 1ljf h LYS 97 N 0.39 0.50 -0.46 3.15 3.64 -1.25 -3.23 116.57 119.31 1ljf h LYS 97 Ca 0.15 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1ljf h LYS 97 Cb 0.12 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1ljf h LYS 97 CO -0.03 1.18 0.30 0.82 -2.27 0.00 0.00 179.45 179.45 1ljf h ILE 98 N 0.05 1.12 0.00 2.00 2.04 -0.50 -2.13 117.51 120.09 1ljf h ILE 98 Ca -0.10 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1ljf h ILE 98 Cb 1.45 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1ljf h ILE 98 CO 0.15 0.11 0.00 1.62 0.00 0.00 0.00 178.15 180.03 1ljf h VAL 99 N 0.62 0.00 -0.56 1.67 3.04 -1.18 -1.14 116.25 118.69 1ljf h VAL 99 Ca 0.17 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1ljf h VAL 99 Cb -0.07 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 1ljf h VAL 99 CO -0.04 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.32 1ljf n SER 100 N -2.52 4.47 -1.12 3.17 7.64 -0.82 -3.65 113.62 120.80 1ljf n SER 100 Ca -0.00 -2.49 0.05 0.00 1.01 0.00 0.00 58.87 57.44 1ljf n SER 100 Cb 0.16 -0.54 0.21 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.81 3.20 0.00 6.43 2.03 -0.43 -4.89 116.55 123.69 1ljf n ASP 101 Ca 0.24 -2.35 0.00 0.00 0.52 0.00 0.00 54.79 53.19 1ljf n ASP 101 Cb 0.85 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.61 0.75 0.00 0.27 0.00 -1.26 -4.93 105.19 100.63 1ljf n GLY 102 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ljf n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ljf n ASN 103 N 0.00 0.54 0.00 1.61 3.02 -1.26 -5.12 115.26 114.05 1ljf n ASN 103 Ca 0.00 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1ljf n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ljf n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ljf n GLY 104 N -0.12 1.64 0.01 7.41 0.00 -1.24 -1.56 105.19 111.33 1ljf n GLY 104 Ca 0.00 -0.51 0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 4.83 1.01 0.06 1.61 2.81 -1.26 -3.42 117.12 122.76 1ljf n MET 105 Ca 0.00 -0.01 0.06 0.00 -1.81 0.00 0.00 57.70 55.93 1ljf n MET 105 Cb 0.00 -1.46 0.27 0.00 -0.71 0.00 0.00 33.22 31.32 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 -0.94 0.23 0.25 7.83 3.02 -0.60 -1.50 115.26 123.54 1ljf n ASN 106 Ca 0.22 0.59 0.10 0.00 -0.03 0.00 0.00 54.58 55.46 1ljf n ASN 106 Cb 0.10 -0.63 0.66 0.00 -0.61 0.00 0.00 39.78 39.30 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 2.12 1.54 -2.32 5.41 0.00 -1.70 -3.37 119.26 120.94 1ljf h ALA 107 Ca 0.00 -0.11 -0.72 0.00 0.00 0.00 0.00 54.91 54.08 1ljf h ALA 107 Cb 0.08 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 17.64 1ljf h ALA 107 CO 0.00 0.15 -0.28 -1.58 0.00 0.00 0.00 179.25 177.54 1ljf s TRP 108 N -4.51 3.21 0.35 0.00 0.51 -0.56 -4.96 118.94 112.97 1ljf s TRP 108 Ca -0.04 -0.75 0.04 0.00 -2.12 0.00 0.00 56.10 53.24 1ljf s TRP 108 Cb 0.15 -3.07 0.67 0.00 -0.81 0.00 0.00 33.47 30.41 1ljf s TRP 108 CO 0.63 -0.78 1.95 -0.24 -0.51 0.00 0.00 176.95 178.01 1ljf h VAL 109 N 5.74 1.05 -0.16 4.03 3.04 -1.85 -1.72 116.25 126.38 1ljf h VAL 109 Ca -0.28 -0.29 -0.10 0.00 -1.01 0.00 0.00 66.70 65.02 1ljf h VAL 109 Cb 1.11 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.52 1ljf h VAL 109 CO 0.85 0.15 -0.34 0.00 -1.01 0.00 0.00 177.57 177.23 1ljf h ALA 110 N 1.58 1.13 -0.28 3.17 0.00 -1.93 -0.67 119.26 122.27 1ljf h ALA 110 Ca 0.32 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ljf h ALA 110 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ljf h ALA 110 CO -0.10 0.56 -0.02 2.35 0.00 0.00 0.00 179.25 182.03 1ljf h TRP 111 N 0.28 0.56 -0.68 0.00 7.01 -1.64 0.00 115.95 121.50 1ljf h TRP 111 Ca 0.03 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 1ljf h TRP 111 Cb 0.73 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.62 1ljf h TRP 111 CO 0.02 0.68 0.40 -0.09 -2.79 0.00 0.00 178.44 176.66 1ljf h ARG 112 N 0.29 0.93 0.00 2.65 1.12 -1.07 0.42 114.38 118.72 1ljf h ARG 112 Ca 0.08 -0.09 -0.12 0.00 -1.11 0.00 0.00 59.98 58.74 1ljf h ARG 112 Cb 0.47 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.22 1ljf h ARG 112 CO 0.02 0.67 -0.57 -0.91 -3.11 0.00 0.00 179.97 176.08 1ljf h ASN 113 N 0.93 0.00 0.00 -3.80 2.35 -1.03 -3.37 115.58 110.65 1ljf h ASN 113 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1ljf h ASN 113 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1ljf h ASN 113 CO -0.04 0.57 -0.16 0.54 -1.65 0.00 0.00 177.43 176.68 1ljf n ARG 114 N -3.27 4.76 -0.03 0.81 1.74 -0.02 -4.90 116.66 115.75 1ljf n ARG 114 Ca 0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.05 1ljf n ARG 114 Cb 0.75 -0.50 -0.02 0.00 -1.02 0.00 0.00 32.46 31.66 1ljf n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ljf n LYS 116 N -2.91 1.14 -0.26 0.00 4.81 -0.11 -1.10 118.16 119.73 1ljf n LYS 116 Ca -0.11 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1ljf n LYS 116 Cb 0.60 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 2.76 2.14 3.98 3.14 0.00 -1.26 -4.99 105.19 110.95 1ljf n GLY 117 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1ljf n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ljf s THR 118 N -3.00 2.12 -1.26 2.61 -4.23 -0.26 -4.97 115.64 106.65 1ljf s THR 118 Ca 0.00 -0.46 -0.15 0.00 -1.18 0.00 0.00 61.69 59.90 1ljf s THR 118 Cb 0.00 -2.66 0.12 0.00 1.34 0.00 0.00 72.50 71.30 1ljf s THR 118 CO 0.00 0.00 1.63 -0.67 -0.54 0.00 0.00 174.62 175.04 1ljf n ASP 119 N -3.02 5.04 0.12 3.99 2.03 -1.26 -4.80 116.55 118.65 1ljf n ASP 119 Ca 0.15 -2.96 0.10 0.00 0.52 0.00 0.00 54.79 52.60 1ljf n ASP 119 Cb 0.60 -1.64 0.47 0.00 -0.72 0.00 0.00 41.12 39.83 1ljf n ASP 119 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ljf n VAL 120 N 5.27 1.02 0.30 5.18 0.24 -1.26 -2.56 118.33 126.52 1ljf n VAL 120 Ca 0.43 0.44 0.17 0.00 -2.04 0.00 0.00 64.34 63.33 1ljf n VAL 120 Cb 0.43 -1.38 0.94 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.28 7.34 4.15 -1.89 -2.15 115.11 122.28 1ljf h GLN 121 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1ljf h GLN 121 Cb 0.19 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1ljf h GLN 121 CO 0.00 0.03 0.11 0.00 -1.93 0.00 0.00 178.83 177.04 1ljf h ALA 122 N 1.97 1.68 0.00 3.38 0.00 -1.90 -2.30 119.26 122.09 1ljf h ALA 122 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ljf h ALA 122 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ljf h ALA 122 CO 0.00 0.26 0.00 0.91 0.00 0.00 0.00 179.25 180.42 1ljf n TRP 123 N -4.42 0.00 0.11 0.00 7.02 -0.81 -1.82 117.44 117.52 1ljf n TRP 123 Ca 0.01 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.56 1ljf n TRP 123 Cb 0.13 -0.43 0.14 0.00 -2.42 0.00 0.00 31.31 28.72 1ljf n TRP 123 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1ljf n ILE 124 N -1.43 0.59 -1.93 -0.99 -0.00 -0.86 -4.86 119.36 109.87 1ljf n ILE 124 Ca 0.03 -0.79 -0.40 0.00 -0.00 0.00 0.00 62.75 61.58 1ljf n ILE 124 Cb 0.09 0.82 -0.00 0.00 -0.00 0.00 0.00 39.64 40.55 1ljf n ILE 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ljf s ARG 125 N -1.06 4.01 0.00 0.38 1.70 -0.76 -2.68 118.95 120.53 1ljf s ARG 125 Ca 0.24 2.35 0.00 0.00 -0.47 0.00 0.00 55.73 57.84 1ljf s ARG 125 Cb 0.14 -2.85 0.00 0.00 -0.57 0.00 0.00 34.95 31.67 1ljf s ARG 125 CO 0.19 -0.53 0.00 0.41 -1.08 0.00 0.00 175.30 174.29 1ljf n GLY 126 N 0.61 2.56 3.74 3.88 0.00 -1.26 -4.94 105.19 109.78 1ljf n GLY 126 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1ljf n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ljf s ARG 128 N -0.54 3.91 0.00 0.00 3.00 -1.26 -5.12 118.95 118.93 1ljf s ARG 128 Ca 0.46 -2.98 0.28 0.00 0.00 0.00 0.00 55.73 53.49 1ljf s ARG 128 Cb -0.27 -4.45 0.99 0.00 0.00 0.00 0.00 34.95 31.23 1ljf s ARG 128 CO 0.33 -1.26 1.71 1.28 0.00 0.00 0.00 175.30 177.37