#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ljg s VAL 2 N 0.00 4.16 0.37 3.15 1.01 -1.26 -1.32 120.40 126.52 1ljg s VAL 2 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1ljg s VAL 2 Cb 0.00 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 1ljg s VAL 2 CO 0.00 0.24 0.81 -0.36 0.00 0.00 0.00 175.10 175.79 1ljg s PHE 3 N 1.57 3.37 0.41 5.22 0.40 -0.21 -5.01 117.98 123.73 1ljg s PHE 3 Ca 0.05 1.32 -0.12 0.00 -0.60 0.00 0.00 56.93 57.58 1ljg s PHE 3 Cb -0.16 -2.63 -0.07 0.00 0.51 0.00 0.00 43.02 40.67 1ljg s PHE 3 CO 0.03 -0.01 0.81 0.20 0.70 0.00 0.00 175.22 176.94 1ljg s GLY 4 N -2.39 2.02 0.12 4.36 0.00 -1.26 -4.86 107.32 105.31 1ljg s GLY 4 Ca 0.56 -0.10 -0.30 0.00 0.00 0.00 0.00 44.72 44.89 1ljg s GLY 4 CO 0.18 0.11 1.59 -0.09 0.00 0.00 0.00 173.10 174.90 1ljg h ARG 5 N 1.33 -0.57 0.00 2.90 2.43 -1.97 -1.19 114.38 117.30 1ljg h ARG 5 Ca -0.47 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1ljg h ARG 5 Cb 1.19 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 1ljg h ARG 5 CO 0.64 -0.38 -0.43 0.00 -1.51 0.00 0.00 179.97 178.29 1ljg h GLU 7 N 0.00 1.06 -0.28 0.00 4.81 -1.85 -0.21 114.58 118.11 1ljg h GLU 7 Ca -0.00 -0.24 -0.12 0.00 -0.13 0.00 0.00 59.36 58.87 1ljg h GLU 7 Cb 0.84 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1ljg h GLU 7 CO 0.06 0.93 -0.28 1.25 -0.73 0.00 0.00 179.01 180.23 1ljg h LEU 8 N 0.99 0.73 -0.54 1.64 6.46 -1.01 -2.12 115.31 121.47 1ljg h LEU 8 Ca 0.21 -0.47 0.03 0.00 -0.12 0.00 0.00 57.88 57.53 1ljg h LEU 8 Cb 0.32 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 1ljg h LEU 8 CO -0.00 1.05 0.32 0.00 -0.62 0.00 0.00 178.44 179.19 1ljg h ALA 9 N 0.70 0.69 -0.77 1.25 0.00 -1.12 0.16 119.26 120.17 1ljg h ALA 9 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ljg h ALA 9 Cb 0.85 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1ljg h ALA 9 CO 0.07 0.02 0.31 0.00 0.00 0.00 0.00 179.25 179.66 1ljg h ALA 10 N 1.24 0.99 -0.48 0.00 0.00 -0.97 -0.46 119.26 119.59 1ljg h ALA 10 Ca 0.22 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ljg h ALA 10 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1ljg h ALA 10 CO -0.10 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 179.73 1ljg h ALA 11 N 1.16 0.65 -0.14 0.00 0.00 -0.84 -2.05 119.26 118.03 1ljg h ALA 11 Ca 0.26 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1ljg h ALA 11 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ljg h ALA 11 CO -0.02 0.48 -0.34 0.52 0.00 0.00 0.00 179.25 179.89 1ljg h MET 12 N 0.72 0.29 -0.40 0.00 2.86 -0.39 -2.66 114.93 115.34 1ljg h MET 12 Ca 0.13 -0.12 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 1ljg h MET 12 Cb 0.55 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 1ljg h MET 12 CO 0.03 0.60 -0.29 -0.22 1.06 0.00 0.00 176.91 178.09 1ljg h LYS 13 N 0.25 0.88 0.00 1.72 3.64 -0.91 -2.00 116.57 120.15 1ljg h LYS 13 Ca 0.03 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1ljg h LYS 13 Cb 0.72 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1ljg h LYS 13 CO 0.05 1.05 -0.14 0.00 -2.27 0.00 0.00 179.45 178.15 1ljg h ARG 14 N 0.74 0.00 -0.66 1.90 3.08 -1.06 -1.85 114.38 116.52 1ljg h ARG 14 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1ljg h ARG 14 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1ljg h ARG 14 CO 0.07 0.14 0.00 0.72 -1.07 0.00 0.00 179.97 179.83 1ljg n HIS 15 N -3.97 1.37 -2.91 3.04 8.25 -1.03 -4.94 115.22 115.03 1ljg n HIS 15 Ca -0.02 -0.50 -0.18 0.00 -0.26 0.00 0.00 57.72 56.76 1ljg n HIS 15 Cb 0.22 -0.32 0.03 0.00 1.12 0.00 0.00 29.99 31.05 1ljg n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ljg n GLY 16 N 0.66 -0.28 0.11 -1.41 0.00 -0.70 -4.94 105.19 98.63 1ljg n GLY 16 Ca 0.20 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1ljg n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ljg h LEU 17 N -1.21 0.00 -9.03 0.99 5.85 -1.56 -3.41 115.31 106.94 1ljg h LEU 17 Ca -0.43 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 57.71 1ljg h LEU 17 Cb 1.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1ljg h LEU 17 CO 0.46 0.09 1.35 -0.62 -0.34 0.00 0.00 178.44 179.38 1ljg s ASP 18 N -5.45 5.83 -0.17 1.25 2.15 -1.26 -1.68 116.67 117.35 1ljg s ASP 18 Ca -0.01 1.86 0.00 0.00 0.43 0.00 0.00 52.55 54.83 1ljg s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1ljg s ASP 18 CO 0.79 -1.67 0.00 0.59 -0.17 0.00 0.00 175.17 174.72 1ljg n ASN 19 N 10.28 -3.88 -4.68 -0.34 4.13 0.11 -4.86 115.26 116.02 1ljg n ASN 19 Ca 0.25 0.04 -0.42 0.00 1.68 0.00 0.00 54.58 56.13 1ljg n ASN 19 Cb 0.45 -1.52 -0.03 0.00 -1.54 0.00 0.00 39.78 37.14 1ljg n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ljg s TYR 20 N -1.83 2.04 -1.44 3.10 5.04 -0.67 -1.25 117.35 122.34 1ljg s TYR 20 Ca 0.00 0.04 -0.05 0.00 -2.44 0.00 0.00 57.07 54.62 1ljg s TYR 20 Cb 0.00 -4.08 0.02 0.00 0.35 0.00 0.00 41.96 38.25 1ljg s TYR 20 CO 0.00 -4.51 0.44 0.54 -1.34 0.00 0.00 175.55 170.67 1ljg n ARG 21 N 6.23 -3.81 -0.69 4.97 1.74 -1.26 -2.19 116.66 121.64 1ljg n ARG 21 Ca 0.17 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1ljg n ARG 21 Cb 0.40 -5.52 0.00 0.00 -1.02 0.00 0.00 32.46 26.32 1ljg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ljg n GLY 22 N -1.28 1.18 3.54 -0.13 0.00 -0.38 -5.02 105.19 103.10 1ljg n GLY 22 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1ljg n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ljg s TYR 23 N -3.52 3.19 0.79 1.61 2.02 -0.93 -4.88 117.35 115.63 1ljg s TYR 23 Ca 0.00 0.01 -0.13 0.00 -0.37 0.00 0.00 57.07 56.58 1ljg s TYR 23 Cb 0.00 -2.79 0.07 0.00 -0.40 0.00 0.00 41.96 38.84 1ljg s TYR 23 CO 0.00 -0.51 1.17 -1.54 -1.57 0.00 0.00 175.55 173.10 1ljg s SER 24 N 1.75 3.88 0.37 2.29 1.04 -1.26 0.07 113.70 121.85 1ljg s SER 24 Ca 0.14 2.22 0.13 0.00 0.48 0.00 0.00 55.95 58.91 1ljg s SER 24 Cb -0.16 -2.57 0.93 0.00 0.10 0.00 0.00 66.02 64.32 1ljg s SER 24 CO 0.13 -2.47 1.83 0.25 0.98 0.00 0.00 173.24 173.96 1ljg h LEU 25 N -0.88 0.57 -1.43 2.42 5.85 -1.89 -1.12 115.31 118.82 1ljg h LEU 25 Ca -0.46 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.41 1ljg h LEU 25 Cb 1.28 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1ljg h LEU 25 CO 0.48 0.23 0.48 1.23 -0.34 0.00 0.00 178.44 180.51 1ljg h GLY 26 N 0.57 0.90 1.01 3.75 0.00 -1.91 -2.03 103.07 105.36 1ljg h GLY 26 Ca 0.50 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1ljg h GLY 26 CO -0.24 0.17 0.31 3.43 0.00 0.00 0.00 176.54 180.20 1ljg h ASN 27 N 0.65 0.88 -0.37 0.19 2.35 -1.43 -0.62 115.58 117.23 1ljg h ASN 27 Ca 0.33 -0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 1ljg h ASN 27 Cb 0.43 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1ljg h ASN 27 CO -0.12 0.77 -0.28 -0.50 -1.65 0.00 0.00 177.43 175.65 1ljg h TRP 28 N 0.93 1.00 -0.38 1.19 4.06 -1.46 -0.65 115.95 120.64 1ljg h TRP 28 Ca 0.23 -0.28 -0.06 0.00 2.06 0.00 0.00 58.89 60.84 1ljg h TRP 28 Cb 0.13 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 1ljg h TRP 28 CO 0.01 1.07 0.00 0.28 -3.56 0.00 0.00 178.44 176.23 1ljg h VAL 29 N 0.64 1.26 -0.74 1.49 2.07 -1.32 -1.10 116.25 118.55 1ljg h VAL 29 Ca 0.07 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1ljg h VAL 29 Cb 0.86 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1ljg h VAL 29 CO 0.07 0.33 0.45 0.00 0.02 0.00 0.00 177.57 178.44 1ljg h ALA 31 N 1.24 0.45 -0.89 0.00 0.00 -0.83 -2.65 119.26 116.57 1ljg h ALA 31 Ca 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1ljg h ALA 31 Cb -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1ljg h ALA 31 CO -0.05 -0.08 0.49 0.00 0.00 0.00 0.00 179.25 179.61 1ljg h ALA 32 N 1.12 1.14 -0.09 0.00 0.00 -0.69 -0.89 119.26 119.84 1ljg h ALA 32 Ca 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ljg h ALA 32 Cb -0.04 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 1ljg h ALA 32 CO -0.03 0.64 -0.12 -0.22 0.00 0.00 0.00 179.25 179.53 1ljg h LYS 33 N 1.24 -0.15 0.00 0.00 1.63 -0.77 -1.54 116.57 116.98 1ljg h LYS 33 Ca 0.31 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1ljg h LYS 33 Cb 0.02 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1ljg h LYS 33 CO -0.05 -0.10 -0.61 0.74 -3.45 0.00 0.00 179.45 175.97 1ljg h PHE 34 N -0.16 0.00 0.25 1.91 0.04 -1.39 0.31 116.94 117.89 1ljg h PHE 34 Ca 0.07 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.51 1ljg h PHE 34 Cb 0.26 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.45 1ljg h PHE 34 CO -0.22 0.00 -1.47 0.93 -0.60 0.00 0.00 178.31 176.95 1ljg h GLU 35 N 0.00 0.52 0.00 1.51 4.39 -1.11 -3.42 114.58 116.47 1ljg h GLU 35 Ca 0.00 -0.90 0.00 0.00 0.34 0.00 0.00 59.36 58.80 1ljg h GLU 35 Cb 0.94 0.33 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1ljg h GLU 35 CO 0.00 1.43 0.00 -1.13 -1.16 0.00 0.00 179.01 178.15 1ljg n SER 36 N -3.74 0.12 -3.67 1.42 3.41 -0.63 -4.82 113.62 105.72 1ljg n SER 36 Ca -0.17 -0.97 -0.25 0.00 -0.26 0.00 0.00 58.87 57.21 1ljg n SER 36 Cb 1.09 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 65.11 1ljg n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ljg n ASN 37 N -0.00 -5.92 -1.73 4.04 5.15 0.11 -2.05 115.26 114.85 1ljg n ASN 37 Ca 0.00 -0.60 -0.19 0.00 -0.60 0.00 0.00 54.58 53.19 1ljg n ASN 37 Cb 0.21 -4.77 -0.06 0.00 -0.53 0.00 0.00 39.78 34.63 1ljg n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ljg n PHE 38 N -4.92 -0.31 -3.66 1.20 3.72 -1.16 -4.84 117.46 107.49 1ljg n PHE 38 Ca 0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.03 1ljg n PHE 38 Cb 0.55 -3.44 -0.12 0.00 -0.94 0.00 0.00 39.48 35.53 1ljg n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ljg s ASN 39 N -2.57 5.58 0.29 4.37 2.47 -0.87 -1.05 114.94 123.15 1ljg s ASN 39 Ca 0.00 -0.27 0.25 0.00 0.42 0.00 0.00 52.86 53.25 1ljg s ASN 39 Cb 0.00 -2.02 1.02 0.00 -1.45 0.00 0.00 41.25 38.81 1ljg s ASN 39 CO 0.00 -0.11 1.74 0.71 -3.72 0.00 0.00 177.10 175.72 1ljg h THR 40 N 5.53 0.00 -0.57 -5.21 1.35 -1.53 -2.95 112.91 109.53 1ljg h THR 40 Ca -0.35 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1ljg h THR 40 Cb 1.17 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1ljg h THR 40 CO 0.59 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.86 1ljg n GLN 41 N -2.32 2.63 -1.91 4.72 6.02 -1.26 -4.05 117.38 121.20 1ljg n GLN 41 Ca 0.02 -2.46 -0.41 0.00 -0.01 0.00 0.00 57.00 54.14 1ljg n GLN 41 Cb 0.23 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 1ljg n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ljg s ALA 42 N -1.16 3.61 0.02 -1.58 0.00 -1.11 -4.79 121.76 116.74 1ljg s ALA 42 Ca 0.43 1.46 -0.03 0.00 0.00 0.00 0.00 51.96 53.82 1ljg s ALA 42 Cb 0.23 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1ljg s ALA 42 CO 0.31 -0.89 0.03 0.95 0.00 0.00 0.00 175.76 176.16 1ljg s THR 43 N -0.65 0.12 -0.22 0.00 -4.23 -1.26 -0.80 115.64 108.60 1ljg s THR 43 Ca 0.56 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 60.07 1ljg s THR 43 Cb -0.44 -0.51 0.11 0.00 1.34 0.00 0.00 72.50 73.00 1ljg s THR 43 CO 0.54 -0.53 0.30 0.21 -0.54 0.00 0.00 174.62 174.60 1ljg s ASN 44 N -1.68 0.76 -0.07 3.99 3.84 -0.50 -4.95 114.94 116.34 1ljg s ASN 44 Ca -0.12 0.05 -0.30 0.00 0.21 0.00 0.00 52.86 52.70 1ljg s ASN 44 Cb -0.06 0.77 -0.02 0.00 -0.55 0.00 0.00 41.25 41.38 1ljg s ASN 44 CO -0.02 -0.31 1.00 -0.60 -2.79 0.00 0.00 177.10 174.39 1ljg s ARG 45 N 2.44 4.46 0.34 0.43 3.00 -1.26 -0.33 118.95 128.03 1ljg s ARG 45 Ca 0.09 1.41 0.02 0.00 -1.00 0.00 0.00 55.73 56.25 1ljg s ARG 45 Cb -0.15 -3.52 -0.03 0.00 0.00 0.00 0.00 34.95 31.25 1ljg s ARG 45 CO -0.14 -0.24 0.52 -0.80 0.00 0.00 0.00 175.30 174.65 1ljg s ASN 46 N 1.08 6.21 0.00 -2.12 0.01 0.36 -4.97 114.94 115.51 1ljg s ASN 46 Ca 0.50 0.30 0.21 0.00 -0.71 0.00 0.00 52.86 53.16 1ljg s ASN 46 Cb -0.19 -1.87 1.21 0.00 0.41 0.00 0.00 41.25 40.81 1ljg s ASN 46 CO 0.21 -0.32 1.65 0.35 -1.51 0.00 0.00 177.10 177.48 1ljg n THR 47 N -1.74 0.10 -0.40 1.60 -2.24 -1.26 -2.61 114.28 107.72 1ljg n THR 47 Ca -0.04 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.85 1ljg n THR 47 Cb 0.57 -0.69 0.26 0.00 -2.10 0.00 0.00 70.33 68.37 1ljg n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ljg n ASP 48 N -1.07 3.73 0.00 3.42 5.75 -1.26 -4.93 116.55 122.19 1ljg n ASP 48 Ca 0.14 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1ljg n ASP 48 Cb 0.09 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1ljg n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ljg n GLY 49 N 0.92 0.87 3.92 6.12 0.00 -1.07 -4.80 105.19 111.15 1ljg n GLY 49 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1ljg n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ljg s SER 50 N -3.00 5.79 -0.01 1.61 1.04 -1.26 -4.50 113.70 113.37 1ljg s SER 50 Ca 0.00 -0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.17 1ljg s SER 50 Cb 0.00 -1.32 -0.00 0.00 0.10 0.00 0.00 66.02 64.80 1ljg s SER 50 CO 0.00 -0.28 0.08 0.42 0.98 0.00 0.00 173.24 174.44 1ljg s THR 51 N -2.16 0.06 -0.07 2.02 -4.23 -1.26 0.14 115.64 110.12 1ljg s THR 51 Ca 0.40 -0.47 -0.15 0.00 -1.18 0.00 0.00 61.69 60.29 1ljg s THR 51 Cb -0.08 -0.27 -0.05 0.00 1.34 0.00 0.00 72.50 73.44 1ljg s THR 51 CO 0.28 -0.26 0.38 -1.81 -0.54 0.00 0.00 174.62 172.68 1ljg s ASP 52 N -0.83 6.67 0.00 3.99 1.01 0.55 -1.96 116.67 126.10 1ljg s ASP 52 Ca -0.09 0.79 0.08 0.00 0.71 0.00 0.00 52.55 54.04 1ljg s ASP 52 Cb -0.05 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 1ljg s ASP 52 CO 0.00 0.19 -0.25 -0.31 0.21 0.00 0.00 175.17 175.02 1ljg s TYR 53 N -0.28 2.21 0.02 4.23 1.51 0.01 -1.41 117.35 123.65 1ljg s TYR 53 Ca 0.22 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1ljg s TYR 53 Cb -0.15 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 1ljg s TYR 53 CO 0.10 0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.97 1ljg n GLY 54 N 2.23 -1.97 0.37 0.71 0.00 0.02 -1.78 105.19 104.76 1ljg n GLY 54 Ca -0.16 -1.38 0.19 0.00 0.00 0.00 0.00 46.02 44.67 1ljg n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ljg h ILE 55 N -0.08 0.61 -0.29 -0.61 2.10 -1.70 -0.62 117.51 116.92 1ljg h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ljg h ILE 55 Cb 0.08 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 36.56 1ljg h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1ljg n LEU 56 N -4.11 2.96 -4.04 2.19 4.77 -1.26 -4.07 117.00 113.44 1ljg n LEU 56 Ca 0.07 -2.17 -0.42 0.00 -0.03 0.00 0.00 56.01 53.46 1ljg n LEU 56 Cb 0.53 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1ljg n LEU 56 CO 0.33 0.70 -0.19 0.00 -1.33 0.00 0.00 177.39 176.89 1ljg n GLN 57 N 0.22 -0.63 -2.74 3.23 1.13 -0.24 -4.90 117.38 113.44 1ljg n GLN 57 Ca 0.12 0.15 -0.41 0.00 -1.94 0.00 0.00 57.00 54.92 1ljg n GLN 57 Cb 0.48 -3.01 -0.04 0.00 0.11 0.00 0.00 30.24 27.78 1ljg n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ljg s ILE 58 N -3.64 4.72 0.14 5.09 1.01 -0.73 -4.45 121.20 123.33 1ljg s ILE 58 Ca 0.41 2.02 -0.27 0.00 0.00 0.00 0.00 60.65 62.81 1ljg s ILE 58 Cb -0.21 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.89 1ljg s ILE 58 CO 0.95 0.24 0.85 0.21 0.00 0.00 0.00 174.94 177.19 1ljg s ASN 59 N 0.54 7.43 0.06 3.58 3.84 -1.26 -0.81 114.94 128.31 1ljg s ASN 59 Ca 0.49 1.70 0.21 0.00 0.21 0.00 0.00 52.86 55.47 1ljg s ASN 59 Cb -0.22 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.80 1ljg s ASN 59 CO 0.28 0.10 1.65 -1.54 -2.79 0.00 0.00 177.10 174.80 1ljg n SER 60 N 2.10 0.17 0.19 -4.21 3.41 -0.83 -2.38 113.62 112.07 1ljg n SER 60 Ca -0.02 0.53 0.03 0.00 -0.26 0.00 0.00 58.87 59.15 1ljg n SER 60 Cb 0.49 -0.57 0.39 0.00 -0.26 0.00 0.00 64.21 64.26 1ljg n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ljg h ARG 61 N 0.00 0.00 0.00 4.33 9.65 -1.86 -3.40 114.38 123.10 1ljg h ARG 61 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ljg h ARG 61 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1ljg h ARG 61 CO 0.00 0.33 -0.64 0.91 2.80 0.00 0.00 179.97 183.37 1ljg n TRP 62 N -4.10 0.00 -0.00 2.20 7.02 -1.22 -3.86 117.44 117.48 1ljg n TRP 62 Ca -0.02 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.51 1ljg n TRP 62 Cb 0.38 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.14 1ljg n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ljg n TRP 63 N -1.67 0.33 -3.95 -5.99 7.02 -1.00 -0.68 117.44 111.50 1ljg n TRP 63 Ca 0.00 0.10 -0.09 0.00 -1.02 0.00 0.00 57.50 56.50 1ljg n TRP 63 Cb 0.32 -0.79 -0.08 0.00 -2.42 0.00 0.00 31.31 28.35 1ljg n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ljg s ASN 65 N -2.93 5.27 -0.09 0.00 2.47 -0.45 -4.66 114.94 114.55 1ljg s ASN 65 Ca 0.12 -0.17 0.13 0.00 0.42 0.00 0.00 52.86 53.35 1ljg s ASN 65 Cb 0.05 -1.95 0.23 0.00 -1.45 0.00 0.00 41.25 38.13 1ljg s ASN 65 CO -0.06 -0.03 1.14 -0.90 -3.72 0.00 0.00 177.10 173.53 1ljg n ASP 66 N 4.93 2.44 -0.47 -4.21 5.68 -1.26 -1.26 116.55 122.40 1ljg n ASP 66 Ca -0.16 -2.70 -0.05 0.00 -0.50 0.00 0.00 54.79 51.38 1ljg n ASP 66 Cb 0.51 -0.31 -0.02 0.00 -1.14 0.00 0.00 41.12 40.17 1ljg n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ljg n GLY 67 N -0.96 0.49 0.00 6.12 0.00 -1.26 -4.67 105.19 104.91 1ljg n GLY 67 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ljg n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ljg n ARG 68 N -0.13 0.00 -3.97 1.61 1.85 -1.26 -5.08 116.66 109.68 1ljg n ARG 68 Ca -0.05 -0.39 -0.35 0.00 -1.00 0.00 0.00 57.85 56.06 1ljg n ARG 68 Cb 0.44 -0.49 -0.09 0.00 -1.05 0.00 0.00 32.46 31.26 1ljg n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ljg s THR 69 N 0.00 4.87 0.53 8.89 2.01 -1.26 -4.92 115.64 125.76 1ljg s THR 69 Ca 0.00 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 1ljg s THR 69 Cb 0.00 -3.19 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 1ljg s THR 69 CO 0.00 0.46 0.69 -2.65 -0.69 0.00 0.00 174.62 172.43 1ljg n PRO 70 N 3.51 0.71 -3.72 4.92 -0.02 -1.26 -2.71 135.00 136.43 1ljg n PRO 70 Ca -0.17 0.27 -0.26 0.00 -2.02 0.00 0.00 63.50 61.33 1ljg n PRO 70 Cb 0.52 -1.82 0.06 0.00 -0.02 0.00 0.00 33.50 32.24 1ljg n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ljg n GLY 71 N 1.60 -0.51 1.29 -1.23 0.00 -1.26 -4.57 105.19 100.50 1ljg n GLY 71 Ca 0.12 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1ljg n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ljg n SER 72 N -2.95 -0.42 -4.91 1.61 7.64 -1.10 -4.86 113.62 108.63 1ljg n SER 72 Ca 0.00 -0.22 -0.33 0.00 1.01 0.00 0.00 58.87 59.34 1ljg n SER 72 Cb 0.55 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.71 1ljg n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ljg s ARG 73 N 1.27 3.47 -0.39 1.43 0.52 -1.25 -5.03 118.95 118.97 1ljg s ARG 73 Ca 0.00 -0.32 0.09 0.00 -0.52 0.00 0.00 55.73 54.98 1ljg s ARG 73 Cb 0.00 -3.06 0.27 0.00 0.52 0.00 0.00 34.95 32.69 1ljg s ARG 73 CO 0.00 0.63 0.60 -1.71 0.02 0.00 0.00 175.30 174.84 1ljg n ASN 74 N 0.68 0.14 0.28 0.23 5.15 -1.22 -4.14 115.26 116.38 1ljg n ASN 74 Ca -0.08 -2.81 0.15 0.00 -0.60 0.00 0.00 54.58 51.24 1ljg n ASN 74 Cb 0.52 -0.48 0.91 0.00 -0.53 0.00 0.00 39.78 40.20 1ljg n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ljg h LEU 75 N 3.74 0.00 -0.88 1.20 3.38 -1.00 -0.40 115.31 121.35 1ljg h LEU 75 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ljg h LEU 75 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1ljg h LEU 75 CO 0.46 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.84 1ljg n ASN 77 N -0.05 -3.04 -3.63 0.00 5.15 -0.16 -4.98 115.26 108.55 1ljg n ASN 77 Ca 0.15 -0.88 -0.14 0.00 -0.60 0.00 0.00 54.58 53.11 1ljg n ASN 77 Cb 0.39 -3.92 -0.06 0.00 -0.53 0.00 0.00 39.78 35.66 1ljg n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ljg s ILE 78 N -3.60 0.04 0.37 -1.44 -4.36 -1.26 -5.08 121.20 105.87 1ljg s ILE 78 Ca 0.20 -0.36 -0.25 0.00 -0.26 0.00 0.00 60.65 59.99 1ljg s ILE 78 Cb -0.06 -0.93 -0.09 0.00 1.25 0.00 0.00 42.46 42.62 1ljg s ILE 78 CO 0.82 -0.20 1.03 -2.16 0.24 0.00 0.00 174.94 174.67 1ljg s PRO 79 N -2.29 4.32 0.60 0.37 0.04 -1.26 -1.35 135.00 135.43 1ljg s PRO 79 Ca -0.06 1.48 0.32 0.00 0.04 0.00 0.00 61.00 62.78 1ljg s PRO 79 Cb -0.01 -2.66 1.91 0.00 0.04 0.00 0.00 34.50 33.78 1ljg s PRO 79 CO -0.01 -0.00 2.27 0.00 0.04 0.00 0.00 177.00 179.30 1ljg h SER 81 N 0.00 0.00 0.59 0.00 4.64 -1.91 -0.87 113.55 116.00 1ljg h SER 81 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1ljg h SER 81 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1ljg h SER 81 CO -0.00 0.07 -0.03 0.00 -0.87 0.00 0.00 176.83 176.00 1ljg h ALA 82 N 1.93 1.04 -0.00 5.18 0.00 -1.65 -1.45 119.26 124.31 1ljg h ALA 82 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ljg h ALA 82 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ljg h ALA 82 CO 0.01 0.03 -0.07 1.28 0.00 0.00 0.00 179.25 180.50 1ljg n LEU 83 N -3.18 0.31 -0.75 0.00 4.77 -0.33 -3.30 117.00 114.52 1ljg n LEU 83 Ca -0.01 0.08 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 1ljg n LEU 83 Cb 0.22 -0.20 0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1ljg n LEU 83 CO 0.25 0.06 0.52 0.18 -1.33 0.00 0.00 177.39 177.07 1ljg n LEU 84 N -1.04 2.54 -4.77 2.23 4.32 -0.55 -3.75 117.00 115.98 1ljg n LEU 84 Ca 0.15 -0.88 -0.32 0.00 -0.02 0.00 0.00 56.01 54.95 1ljg n LEU 84 Cb 0.26 -0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.12 1ljg n LEU 84 CO 0.23 0.44 0.71 -0.55 -1.22 0.00 0.00 177.39 177.00 1ljg s SER 85 N -2.19 4.79 0.35 -1.43 0.15 -1.21 -4.34 113.70 109.82 1ljg s SER 85 Ca 0.25 1.87 0.26 0.00 0.70 0.00 0.00 55.95 59.03 1ljg s SER 85 Cb 0.19 -2.53 0.87 0.00 -1.71 0.00 0.00 66.02 62.85 1ljg s SER 85 CO 0.41 -1.85 1.77 0.77 1.20 0.00 0.00 173.24 175.54 1ljg h SER 86 N -0.68 0.00 -3.56 5.45 4.64 -1.92 -3.40 113.55 114.08 1ljg h SER 86 Ca -0.45 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.25 1ljg h SER 86 Cb 1.23 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.19 1ljg h SER 86 CO 0.53 0.00 0.14 -0.62 -0.87 0.00 0.00 176.83 176.01 1ljg s ASP 87 N -5.09 6.44 0.00 4.97 2.15 -1.26 -4.96 116.67 118.92 1ljg s ASP 87 Ca 0.06 0.22 0.08 0.00 0.43 0.00 0.00 52.55 53.34 1ljg s ASP 87 Cb 0.09 -2.33 0.37 0.00 -0.30 0.00 0.00 42.92 40.76 1ljg s ASP 87 CO 0.55 -0.56 1.26 2.30 -0.17 0.00 0.00 175.17 178.54 1ljg n ILE 88 N 5.54 0.12 -0.10 4.11 -5.35 -1.26 -4.38 119.36 118.04 1ljg n ILE 88 Ca -0.01 -0.13 -0.06 0.00 -0.27 0.00 0.00 62.75 62.28 1ljg n ILE 88 Cb 0.49 0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.41 1ljg n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ljg h THR 89 N 0.62 0.70 -0.48 7.28 2.02 -1.93 -0.02 112.91 121.10 1ljg h THR 89 Ca 0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1ljg h THR 89 Cb 0.14 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1ljg h THR 89 CO 0.00 0.01 0.26 0.00 0.37 0.00 0.00 175.52 176.16 1ljg h ALA 90 N 1.32 0.62 -0.62 6.16 0.00 -1.84 0.09 119.26 124.98 1ljg h ALA 90 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ljg h ALA 90 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ljg h ALA 90 CO -0.31 0.15 0.33 0.77 0.00 0.00 0.00 179.25 180.18 1ljg h SER 91 N 0.64 0.79 -0.22 0.00 0.02 -1.74 -0.85 113.55 112.19 1ljg h SER 91 Ca 0.17 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1ljg h SER 91 Cb 0.06 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1ljg h SER 91 CO -0.03 0.67 -0.09 0.58 -1.14 0.00 0.00 176.83 176.83 1ljg h VAL 92 N 0.85 1.30 -0.51 2.27 2.07 -0.76 -0.45 116.25 121.01 1ljg h VAL 92 Ca 0.22 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 1ljg h VAL 92 Cb 0.07 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1ljg h VAL 92 CO -0.03 0.35 0.10 0.78 0.02 0.00 0.00 177.57 178.79 1ljg h ASN 93 N 0.17 0.75 -0.22 0.57 2.35 -0.87 -1.99 115.58 116.34 1ljg h ASN 93 Ca 0.05 -0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.53 1ljg h ASN 93 Cb 0.58 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1ljg h ASN 93 CO 0.03 0.75 -0.36 0.00 -1.65 0.00 0.00 177.43 176.20 1ljg h ALA 95 N 0.63 2.03 -0.33 0.00 0.00 -0.80 0.36 119.26 121.14 1ljg h ALA 95 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1ljg h ALA 95 Cb 0.95 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1ljg h ALA 95 CO 0.08 -0.09 -0.06 0.87 0.00 0.00 0.00 179.25 180.05 1ljg h LYS 96 N 0.21 0.54 -0.06 0.00 1.57 -1.18 -0.94 116.57 116.71 1ljg h LYS 96 Ca 0.14 -0.14 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1ljg h LYS 96 Cb 0.29 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.55 1ljg h LYS 96 CO -0.02 0.61 -0.93 0.87 -0.57 0.00 0.00 179.45 179.40 1ljg h LYS 97 N 0.51 0.73 0.26 3.15 1.57 -0.93 -3.16 116.57 118.70 1ljg h LYS 97 Ca 0.10 -0.70 -0.01 0.00 -1.87 0.00 0.00 60.65 58.16 1ljg h LYS 97 Cb 0.42 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ljg h LYS 97 CO 0.02 1.29 -0.12 0.82 -0.57 0.00 0.00 179.45 180.89 1ljg h ILE 98 N 0.45 0.77 0.00 1.86 2.04 -0.99 -2.59 117.51 119.06 1ljg h ILE 98 Ca -0.10 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1ljg h ILE 98 Cb 1.57 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1ljg h ILE 98 CO 0.19 0.04 0.00 0.55 0.00 0.00 0.00 178.15 178.92 1ljg n VAL 99 N -5.20 1.19 1.07 1.67 3.14 -0.38 -0.67 118.33 119.14 1ljg n VAL 99 Ca -0.10 0.47 0.12 0.00 -2.96 0.00 0.00 64.34 61.87 1ljg n VAL 99 Cb 0.18 -1.41 0.12 0.00 -1.06 0.00 0.00 33.84 31.68 1ljg n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1ljg n SER 100 N -1.96 2.28 0.00 6.55 7.64 -1.01 -3.81 113.62 123.31 1ljg n SER 100 Ca 0.01 -1.65 0.10 0.00 1.01 0.00 0.00 58.87 58.34 1ljg n SER 100 Cb 0.10 0.21 0.59 0.00 -1.01 0.00 0.00 64.21 64.10 1ljg n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ljg n ASP 101 N 0.49 0.00 0.00 6.43 2.03 0.15 -4.87 116.55 120.78 1ljg n ASP 101 Ca 0.12 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.50 1ljg n ASP 101 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 1ljg n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ljg n GLY 102 N 0.50 0.82 0.05 0.27 0.00 -1.26 -4.95 105.19 100.62 1ljg n GLY 102 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1ljg n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ljg n ASN 103 N 0.00 1.49 0.00 1.61 4.05 -1.26 -5.11 115.26 116.05 1ljg n ASN 103 Ca 0.00 -1.97 0.00 0.00 0.45 0.00 0.00 54.58 53.06 1ljg n ASN 103 Cb 0.00 -0.09 0.00 0.00 1.23 0.00 0.00 39.78 40.92 1ljg n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ljg n GLY 104 N -0.52 2.24 0.22 8.20 0.00 -1.25 -1.56 105.19 112.52 1ljg n GLY 104 Ca 0.03 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.77 1ljg n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ljg n MET 105 N 11.17 1.29 0.00 1.61 2.81 -1.26 -3.47 117.12 129.28 1ljg n MET 105 Ca 0.00 -0.43 0.07 0.00 -1.81 0.00 0.00 57.70 55.53 1ljg n MET 105 Cb 0.00 -1.37 0.34 0.00 -0.71 0.00 0.00 33.22 31.48 1ljg n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ljg n ASN 106 N -0.38 0.00 0.15 7.83 3.02 -0.60 -1.65 115.26 123.63 1ljg n ASN 106 Ca 0.17 0.21 0.13 0.00 -0.03 0.00 0.00 54.58 55.06 1ljg n ASN 106 Cb 0.18 -0.35 0.50 0.00 -0.61 0.00 0.00 39.78 39.50 1ljg n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ljg h ALA 107 N 2.61 1.00 -2.70 5.41 0.00 -1.68 -3.39 119.26 120.52 1ljg h ALA 107 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 1ljg h ALA 107 Cb 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.70 1ljg h ALA 107 CO 0.00 0.00 -0.46 -1.58 0.00 0.00 0.00 179.25 177.21 1ljg s TRP 108 N -3.34 3.28 0.19 0.00 0.51 -0.66 -4.98 118.94 113.95 1ljg s TRP 108 Ca 0.05 -1.19 -0.12 0.00 -2.12 0.00 0.00 56.10 52.72 1ljg s TRP 108 Cb 0.10 -2.80 0.22 0.00 -0.81 0.00 0.00 33.47 30.17 1ljg s TRP 108 CO 0.45 -0.76 1.74 0.28 -0.51 0.00 0.00 176.95 178.15 1ljg h VAL 109 N 5.94 0.79 -0.46 4.03 2.07 -1.85 -1.65 116.25 125.11 1ljg h VAL 109 Ca -0.25 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1ljg h VAL 109 Cb 1.10 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1ljg h VAL 109 CO 0.75 0.06 0.23 0.00 0.02 0.00 0.00 177.57 178.63 1ljg h ALA 110 N 1.38 1.55 -0.40 1.67 0.00 -1.93 -1.41 119.26 120.12 1ljg h ALA 110 Ca 0.27 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1ljg h ALA 110 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ljg h ALA 110 CO -0.28 0.37 -0.03 2.35 0.00 0.00 0.00 179.25 181.66 1ljg h TRP 111 N 0.63 0.79 -0.60 0.00 7.01 -1.63 -0.14 115.95 122.02 1ljg h TRP 111 Ca 0.16 -0.15 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 1ljg h TRP 111 Cb 0.05 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.88 1ljg h TRP 111 CO 0.00 0.81 0.21 0.00 -2.79 0.00 0.00 178.44 176.68 1ljg h ARG 112 N 0.54 0.89 0.00 2.65 3.08 -0.72 0.12 114.38 120.94 1ljg h ARG 112 Ca 0.11 -0.15 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 1ljg h ARG 112 Cb 0.52 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1ljg h ARG 112 CO 0.03 0.75 -1.19 -0.91 -1.07 0.00 0.00 179.97 177.57 1ljg h ASN 113 N 0.87 0.00 0.00 7.04 -0.26 -1.14 -3.39 115.58 118.70 1ljg h ASN 113 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1ljg h ASN 113 Cb 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1ljg h ASN 113 CO -0.01 0.84 -0.64 0.54 -1.06 0.00 0.00 177.43 177.10 1ljg n ARG 114 N -3.16 2.38 -0.05 0.81 5.12 -0.08 -4.90 116.66 116.79 1ljg n ARG 114 Ca -0.06 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.77 1ljg n ARG 114 Cb 0.92 -0.81 -0.04 0.00 -1.16 0.00 0.00 32.46 31.37 1ljg n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ljg n LYS 116 N -3.09 1.89 -0.90 0.00 4.81 0.19 -1.73 118.16 119.34 1ljg n LYS 116 Ca -0.18 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1ljg n LYS 116 Cb 0.66 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.40 1ljg n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ljg n GLY 117 N 2.18 0.94 3.87 3.14 0.00 -1.26 -4.96 105.19 109.10 1ljg n GLY 117 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1ljg n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ljg s THR 118 N -3.75 2.38 -1.02 2.61 -1.32 -0.70 -5.03 115.64 108.80 1ljg s THR 118 Ca 0.00 -1.40 -0.18 0.00 -1.21 0.00 0.00 61.69 58.91 1ljg s THR 118 Cb 0.00 -2.78 0.13 0.00 -1.51 0.00 0.00 72.50 68.34 1ljg s THR 118 CO 0.00 0.00 1.26 -0.62 -2.21 0.00 0.00 174.62 173.05 1ljg s ASP 119 N -4.16 6.74 0.50 8.08 2.15 -1.26 -4.83 116.67 123.88 1ljg s ASP 119 Ca 0.45 -2.24 0.34 0.00 0.43 0.00 0.00 52.55 51.52 1ljg s ASP 119 Cb -0.02 -2.42 1.68 0.00 -0.30 0.00 0.00 42.92 41.86 1ljg s ASP 119 CO 0.26 -1.03 2.02 -0.37 -0.17 0.00 0.00 175.17 175.88 1ljg h VAL 120 N 5.63 0.00 0.00 1.11 -1.51 -1.90 -2.18 116.25 117.40 1ljg h VAL 120 Ca 0.21 -0.14 -0.00 0.00 -1.23 0.00 0.00 66.70 65.54 1ljg h VAL 120 Cb 0.98 0.97 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1ljg h VAL 120 CO 1.19 0.00 -0.00 -0.61 -1.23 0.00 0.00 177.57 176.92 1ljg h GLN 121 N 0.00 0.00 -0.05 5.19 5.75 -1.88 0.23 115.11 124.35 1ljg h GLN 121 Ca 0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1ljg h GLN 121 Cb 0.16 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.71 1ljg h GLN 121 CO 0.00 0.00 0.05 0.00 -2.65 0.00 0.00 178.83 176.24 1ljg h ALA 122 N 2.00 1.65 0.00 3.38 0.00 -1.78 -1.55 119.26 122.95 1ljg h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ljg h ALA 122 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ljg h ALA 122 CO 0.00 -0.08 0.00 0.91 0.00 0.00 0.00 179.25 180.08 1ljg n TRP 123 N -3.91 0.79 -0.39 0.00 7.02 0.07 -2.34 117.44 118.67 1ljg n TRP 123 Ca -0.02 0.28 0.06 0.00 -1.02 0.00 0.00 57.50 56.80 1ljg n TRP 123 Cb 0.15 -0.96 0.15 0.00 -2.42 0.00 0.00 31.31 28.23 1ljg n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1ljg n ILE 124 N -2.19 1.35 -1.82 -0.99 -5.35 -0.59 -4.80 119.36 104.97 1ljg n ILE 124 Ca 0.03 -1.29 -0.42 0.00 -0.27 0.00 0.00 62.75 60.81 1ljg n ILE 124 Cb 0.29 0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.43 1ljg n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ljg s ARG 125 N -1.54 4.16 0.00 6.28 3.52 -0.99 -1.71 118.95 128.67 1ljg s ARG 125 Ca 0.24 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.34 1ljg s ARG 125 Cb 0.16 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1ljg s ARG 125 CO 0.10 -0.68 0.00 0.41 -0.81 0.00 0.00 175.30 174.32 1ljg n GLY 126 N 3.76 1.91 0.10 8.12 0.00 -1.26 -4.87 105.19 112.95 1ljg n GLY 126 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1ljg n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ljg n ARG 128 N -3.52 -0.83 0.00 0.00 1.74 -1.26 -5.11 116.66 107.68 1ljg n ARG 128 Ca -0.08 0.32 0.16 0.00 -0.77 0.00 0.00 57.85 57.47 1ljg n ARG 128 Cb 1.02 -1.97 0.91 0.00 -1.02 0.00 0.00 32.46 31.40 1ljg n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39