#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ljj s VAL 2 N 0.00 3.24 0.42 3.15 1.01 -1.26 -1.10 120.40 125.86 1ljj s VAL 2 Ca 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 1ljj s VAL 2 Cb 0.00 -2.63 -0.11 0.00 0.00 0.00 0.00 36.38 33.64 1ljj s VAL 2 CO 0.00 0.19 0.94 -0.36 0.00 0.00 0.00 175.10 175.88 1ljj s PHE 3 N 1.39 3.35 0.54 5.22 0.40 -0.65 -5.03 117.98 123.19 1ljj s PHE 3 Ca 0.02 1.61 -0.12 0.00 -0.60 0.00 0.00 56.93 57.83 1ljj s PHE 3 Cb -0.16 -2.85 -0.06 0.00 0.51 0.00 0.00 43.02 40.46 1ljj s PHE 3 CO -0.02 -0.07 0.95 0.20 0.70 0.00 0.00 175.22 176.97 1ljj s GLY 4 N -2.13 1.84 0.12 4.36 0.00 -1.26 -4.88 107.32 105.36 1ljj s GLY 4 Ca 0.61 -0.05 -0.26 0.00 0.00 0.00 0.00 44.72 45.02 1ljj s GLY 4 CO 0.14 0.20 1.64 -0.09 0.00 0.00 0.00 173.10 175.00 1ljj h ARG 5 N 0.43 -0.38 -0.11 2.90 2.43 -1.97 -1.09 114.38 116.59 1ljj h ARG 5 Ca -0.46 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.63 1ljj h ARG 5 Cb 1.19 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1ljj h ARG 5 CO 0.62 -0.25 -0.41 0.00 -1.51 0.00 0.00 179.97 178.41 1ljj h GLU 7 N 0.20 0.42 -0.54 0.00 4.81 -1.85 0.65 114.58 118.27 1ljj h GLU 7 Ca 0.02 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1ljj h GLU 7 Cb 0.82 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1ljj h GLU 7 CO 0.06 0.30 -0.02 1.25 -0.73 0.00 0.00 179.01 179.87 1ljj h LEU 8 N 0.42 0.95 -0.35 1.64 5.85 -1.04 -1.77 115.31 121.02 1ljj h LEU 8 Ca 0.11 -0.32 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1ljj h LEU 8 Cb -0.03 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.69 1ljj h LEU 8 CO -0.02 1.04 -0.05 0.00 -0.34 0.00 0.00 178.44 179.06 1ljj h ALA 9 N 0.94 0.26 -0.08 1.25 0.00 -0.65 0.13 119.26 121.12 1ljj h ALA 9 Ca 0.15 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1ljj h ALA 9 Cb 0.57 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ljj h ALA 9 CO 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 179.25 178.83 1ljj h ALA 10 N 1.33 0.06 -0.87 0.00 0.00 -0.71 -0.82 119.26 118.24 1ljj h ALA 10 Ca 0.17 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1ljj h ALA 10 Cb 0.25 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1ljj h ALA 10 CO -0.33 -0.48 0.54 0.00 0.00 0.00 0.00 179.25 178.98 1ljj h ALA 11 N 1.07 1.21 -0.29 0.00 0.00 -0.54 0.42 119.26 121.12 1ljj h ALA 11 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1ljj h ALA 11 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ljj h ALA 11 CO -0.07 0.28 -0.17 0.52 0.00 0.00 0.00 179.25 179.81 1ljj h MET 12 N 0.98 0.63 -0.81 0.00 2.86 -0.45 -2.30 114.93 115.85 1ljj h MET 12 Ca 0.38 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1ljj h MET 12 Cb 0.19 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 1ljj h MET 12 CO -0.18 0.87 0.42 -0.22 1.06 0.00 0.00 176.91 178.86 1ljj h LYS 13 N 0.38 1.13 -0.06 1.72 3.64 -0.76 -1.34 116.57 121.28 1ljj h LYS 13 Ca 0.06 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1ljj h LYS 13 Cb 0.70 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1ljj h LYS 13 CO 0.05 0.84 -0.05 -0.09 -2.27 0.00 0.00 179.45 177.93 1ljj h ARG 14 N 1.13 0.08 -0.64 1.90 2.43 -0.71 -1.60 114.38 116.97 1ljj h ARG 14 Ca 0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1ljj h ARG 14 Cb 0.06 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1ljj h ARG 14 CO -0.04 0.14 0.00 0.72 -1.51 0.00 0.00 179.97 179.28 1ljj n HIS 15 N -4.43 1.27 -2.04 2.20 8.25 -0.56 -4.95 115.22 114.96 1ljj n HIS 15 Ca -0.02 -0.48 -0.07 0.00 -0.26 0.00 0.00 57.72 56.89 1ljj n HIS 15 Cb 0.16 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 1ljj n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ljj n GLY 16 N 0.83 0.16 0.13 -1.41 0.00 -0.60 -4.96 105.19 99.34 1ljj n GLY 16 Ca 0.20 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.69 1ljj n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ljj h LEU 17 N 0.00 0.00 -8.97 0.99 3.38 -1.60 -3.40 115.31 105.71 1ljj h LEU 17 Ca -0.16 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.23 1ljj h LEU 17 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1ljj h LEU 17 CO 0.20 0.18 1.37 -0.62 0.09 0.00 0.00 178.44 179.66 1ljj s ASP 18 N -5.71 5.74 0.00 -0.43 2.15 -1.26 -1.53 116.67 115.62 1ljj s ASP 18 Ca 0.01 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.68 1ljj s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1ljj s ASP 18 CO 0.77 -1.77 0.00 0.59 -0.17 0.00 0.00 175.17 174.59 1ljj n ASN 19 N 10.71 -3.63 -4.68 -0.34 5.03 0.13 -4.84 115.26 117.65 1ljj n ASN 19 Ca 0.26 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 55.28 1ljj n ASN 19 Cb 0.45 -1.14 -0.03 0.00 -1.02 0.00 0.00 39.78 38.04 1ljj n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ljj n TYR 20 N -2.78 2.58 -2.45 3.10 9.36 -0.58 -0.54 117.16 125.85 1ljj n TYR 20 Ca 0.00 -0.18 -0.17 0.00 3.32 0.00 0.00 57.90 60.87 1ljj n TYR 20 Cb 0.11 -2.74 -0.01 0.00 -0.63 0.00 0.00 39.34 36.07 1ljj n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ljj n ARG 21 N 6.04 -2.03 -0.95 2.98 5.12 -1.26 -1.61 116.66 124.95 1ljj n ARG 21 Ca 0.19 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.93 1ljj n ARG 21 Cb 0.37 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.20 1ljj n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ljj n GLY 22 N -0.94 0.51 3.40 -0.13 0.00 0.30 -5.03 105.19 103.30 1ljj n GLY 22 Ca -0.20 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1ljj n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ljj s TYR 23 N -2.00 3.20 0.73 1.61 2.02 -0.63 -4.91 117.35 117.37 1ljj s TYR 23 Ca 0.00 -0.77 -0.16 0.00 -0.37 0.00 0.00 57.07 55.77 1ljj s TYR 23 Cb 0.00 -2.38 0.03 0.00 -0.40 0.00 0.00 41.96 39.21 1ljj s TYR 23 CO 0.00 -0.55 1.18 -1.13 -1.57 0.00 0.00 175.55 173.49 1ljj n SER 24 N 4.98 1.29 -0.33 2.29 3.41 -1.26 0.21 113.62 124.21 1ljj n SER 24 Ca -0.13 0.69 0.15 0.00 -0.26 0.00 0.00 58.87 59.33 1ljj n SER 24 Cb 0.48 -1.50 0.38 0.00 -0.26 0.00 0.00 64.21 63.31 1ljj n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ljj h LEU 25 N -0.23 0.67 -0.98 1.04 5.85 -1.88 -0.04 115.31 119.74 1ljj h LEU 25 Ca -0.48 0.08 0.16 0.00 0.84 0.00 0.00 57.88 58.48 1ljj h LEU 25 Cb 1.32 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.22 1ljj h LEU 25 CO 0.49 0.23 0.60 1.23 -0.34 0.00 0.00 178.44 180.64 1ljj h GLY 26 N 0.65 1.68 0.99 3.75 0.00 -1.90 -1.30 103.07 106.94 1ljj h GLY 26 Ca 0.56 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.53 1ljj h GLY 26 CO -0.33 0.03 0.56 3.43 0.00 0.00 0.00 176.54 180.23 1ljj h ASN 27 N 0.84 0.97 -0.27 0.19 2.35 -1.23 -0.77 115.58 117.66 1ljj h ASN 27 Ca 0.53 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 56.09 1ljj h ASN 27 Cb 0.70 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1ljj h ASN 27 CO -0.33 0.70 -0.50 -0.50 -1.65 0.00 0.00 177.43 175.15 1ljj h TRP 28 N 1.14 1.02 -0.52 1.19 4.06 -1.30 -0.92 115.95 120.62 1ljj h TRP 28 Ca 0.31 -0.36 -0.10 0.00 2.06 0.00 0.00 58.89 60.81 1ljj h TRP 28 Cb -0.12 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 27.83 1ljj h TRP 28 CO -0.01 1.18 -0.05 0.28 -3.56 0.00 0.00 178.44 176.27 1ljj h VAL 29 N 0.57 1.27 -0.68 1.49 2.07 -1.21 -1.03 116.25 118.73 1ljj h VAL 29 Ca 0.01 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 1ljj h VAL 29 Cb 1.11 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1ljj h VAL 29 CO 0.11 0.41 0.20 0.00 0.02 0.00 0.00 177.57 178.32 1ljj h ALA 31 N 1.09 0.38 -0.58 0.00 0.00 -0.97 -2.37 119.26 116.81 1ljj h ALA 31 Ca 0.22 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ljj h ALA 31 Cb 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ljj h ALA 31 CO -0.00 -0.03 0.37 0.00 0.00 0.00 0.00 179.25 179.58 1ljj h ALA 32 N 0.97 0.74 -0.27 0.00 0.00 -0.92 0.55 119.26 120.33 1ljj h ALA 32 Ca 0.10 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ljj h ALA 32 Cb 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1ljj h ALA 32 CO -0.01 0.12 0.01 -0.22 0.00 0.00 0.00 179.25 179.16 1ljj h LYS 33 N 0.74 0.10 0.00 0.00 3.11 -0.77 -1.48 116.57 118.27 1ljj h LYS 33 Ca 0.22 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 1ljj h LYS 33 Cb -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 1ljj h LYS 33 CO -0.08 0.06 -0.47 0.74 -2.81 0.00 0.00 179.45 176.90 1ljj h PHE 34 N 0.10 0.00 0.22 1.91 0.04 -1.20 0.17 116.94 118.18 1ljj h PHE 34 Ca 0.13 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.55 1ljj h PHE 34 Cb 0.16 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.33 1ljj h PHE 34 CO -0.20 0.00 -1.62 0.93 -0.60 0.00 0.00 178.31 176.82 1ljj h GLU 35 N 0.00 0.46 0.00 1.51 4.39 -0.78 -3.43 114.58 116.73 1ljj h GLU 35 Ca 0.00 -0.78 0.00 0.00 0.34 0.00 0.00 59.36 58.92 1ljj h GLU 35 Cb 0.93 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1ljj h GLU 35 CO 0.00 1.37 0.00 -1.13 -1.16 0.00 0.00 179.01 178.09 1ljj n SER 36 N -3.64 0.03 -3.69 1.42 3.41 -0.60 -4.81 113.62 105.73 1ljj n SER 36 Ca -0.21 -1.00 -0.26 0.00 -0.26 0.00 0.00 58.87 57.14 1ljj n SER 36 Cb 1.09 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 65.10 1ljj n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ljj n ASN 37 N -0.00 -5.84 -1.54 4.04 5.15 0.61 -1.93 115.26 115.75 1ljj n ASN 37 Ca 0.00 -0.62 -0.18 0.00 -0.60 0.00 0.00 54.58 53.18 1ljj n ASN 37 Cb 0.28 -4.61 -0.06 0.00 -0.53 0.00 0.00 39.78 34.86 1ljj n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ljj n PHE 38 N -4.88 -0.18 -3.57 1.20 3.72 -1.20 -4.88 117.46 107.67 1ljj n PHE 38 Ca 0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.03 1ljj n PHE 38 Cb 0.55 -3.21 -0.11 0.00 -0.94 0.00 0.00 39.48 35.77 1ljj n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ljj s ASN 39 N -2.68 5.93 0.51 4.37 3.84 -0.81 -1.64 114.94 124.46 1ljj s ASN 39 Ca 0.00 -0.35 0.33 0.00 0.21 0.00 0.00 52.86 53.05 1ljj s ASN 39 Cb 0.00 -2.10 1.37 0.00 -0.55 0.00 0.00 41.25 39.97 1ljj s ASN 39 CO 0.00 -0.18 1.96 0.71 -2.79 0.00 0.00 177.10 176.80 1ljj h THR 40 N 5.50 0.00 -0.01 -5.21 1.35 -1.44 -2.70 112.91 110.40 1ljj h THR 40 Ca -0.32 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1ljj h THR 40 Cb 1.16 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1ljj h THR 40 CO 0.61 0.00 -0.24 0.00 -0.25 0.00 0.00 175.52 175.64 1ljj n GLN 41 N -2.96 0.86 -1.63 4.72 1.13 -1.26 -4.11 117.38 114.13 1ljj n GLN 41 Ca 0.01 -0.50 -0.46 0.00 -1.94 0.00 0.00 57.00 54.10 1ljj n GLN 41 Cb 0.28 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.11 1ljj n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ljj n ALA 42 N -0.64 0.27 -3.12 -1.58 0.00 -1.02 -4.76 120.51 109.66 1ljj n ALA 42 Ca 0.12 0.43 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 1ljj n ALA 42 Cb 0.34 -2.16 -0.11 0.00 0.00 0.00 0.00 19.45 17.52 1ljj n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ljj s THR 43 N -0.17 0.02 -0.05 0.00 -4.23 -1.26 -0.75 115.64 109.20 1ljj s THR 43 Ca 0.70 -0.16 -0.02 0.00 -1.18 0.00 0.00 61.69 61.03 1ljj s THR 43 Cb -0.73 -0.37 0.03 0.00 1.34 0.00 0.00 72.50 72.77 1ljj s THR 43 CO 0.51 -0.09 0.04 0.21 -0.54 0.00 0.00 174.62 174.76 1ljj s ASN 44 N -0.27 1.27 0.03 3.99 2.47 -0.64 -4.96 114.94 116.82 1ljj s ASN 44 Ca -0.04 0.03 -0.28 0.00 0.42 0.00 0.00 52.86 52.99 1ljj s ASN 44 Cb -0.03 -0.22 -0.04 0.00 -1.45 0.00 0.00 41.25 39.50 1ljj s ASN 44 CO 0.01 -0.24 0.89 -0.60 -3.72 0.00 0.00 177.10 173.44 1ljj s ARG 45 N 2.12 4.57 0.10 0.43 3.00 -1.26 -0.45 118.95 127.46 1ljj s ARG 45 Ca 0.05 1.27 0.02 0.00 -1.00 0.00 0.00 55.73 56.07 1ljj s ARG 45 Cb -0.12 -3.42 -0.04 0.00 0.00 0.00 0.00 34.95 31.37 1ljj s ARG 45 CO -0.04 0.10 0.22 -0.80 0.00 0.00 0.00 175.30 174.79 1ljj s ASN 46 N 0.50 6.23 0.00 -2.12 0.01 0.03 -4.98 114.94 114.61 1ljj s ASN 46 Ca 0.46 0.18 0.11 0.00 -0.71 0.00 0.00 52.86 52.90 1ljj s ASN 46 Cb -0.21 -1.87 0.63 0.00 0.41 0.00 0.00 41.25 40.21 1ljj s ASN 46 CO 0.26 0.12 1.11 0.35 -1.51 0.00 0.00 177.10 177.42 1ljj n THR 47 N -0.06 0.11 -0.14 1.60 -2.24 -1.26 -2.15 114.28 110.14 1ljj n THR 47 Ca -0.06 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.85 1ljj n THR 47 Cb 0.52 -0.86 0.26 0.00 -2.10 0.00 0.00 70.33 68.16 1ljj n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ljj n ASP 48 N -1.04 3.61 0.00 3.42 5.75 -1.26 -4.94 116.55 122.09 1ljj n ASP 48 Ca 0.08 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1ljj n ASP 48 Cb 0.04 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1ljj n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ljj n GLY 49 N 1.41 0.85 4.00 6.12 0.00 -0.91 -4.94 105.19 111.71 1ljj n GLY 49 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 1ljj n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ljj s SER 50 N -2.87 5.43 0.01 1.61 1.04 -1.26 -4.54 113.70 113.12 1ljj s SER 50 Ca 0.00 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 55.84 1ljj s SER 50 Cb 0.00 -0.36 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 1ljj s SER 50 CO 0.00 -0.92 -0.02 -0.89 0.98 0.00 0.00 173.24 172.40 1ljj s THR 51 N -2.46 0.07 -0.18 2.02 2.01 -1.26 -0.79 115.64 115.06 1ljj s THR 51 Ca 0.56 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 1ljj s THR 51 Cb -0.08 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.21 1ljj s THR 51 CO 0.34 -0.31 0.14 -1.81 -0.69 0.00 0.00 174.62 172.28 1ljj s ASP 52 N -0.91 6.26 -0.01 3.53 1.01 0.41 -1.21 116.67 125.75 1ljj s ASP 52 Ca -0.10 0.30 0.08 0.00 0.71 0.00 0.00 52.55 53.54 1ljj s ASP 52 Cb -0.06 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 1ljj s ASP 52 CO -0.01 0.24 -0.25 -0.31 0.21 0.00 0.00 175.17 175.05 1ljj s TYR 53 N -0.01 2.23 0.01 4.23 1.51 0.32 -1.62 117.35 124.02 1ljj s TYR 53 Ca 0.10 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1ljj s TYR 53 Cb -0.11 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1ljj s TYR 53 CO -0.00 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1ljj n GLY 54 N 2.34 -2.11 0.36 0.71 0.00 0.07 -1.06 105.19 105.50 1ljj n GLY 54 Ca -0.16 -1.45 0.19 0.00 0.00 0.00 0.00 46.02 44.60 1ljj n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ljj h ILE 55 N -0.05 0.50 -0.10 -0.61 2.10 -1.71 -0.66 117.51 116.97 1ljj h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ljj h ILE 55 Cb 0.05 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 1ljj h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1ljj n LEU 56 N -3.90 2.64 -3.99 2.19 4.77 -1.26 -4.16 117.00 113.29 1ljj n LEU 56 Ca 0.05 -2.63 -0.42 0.00 -0.03 0.00 0.00 56.01 52.98 1ljj n LEU 56 Cb 0.48 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1ljj n LEU 56 CO 0.29 0.65 -0.16 0.00 -1.33 0.00 0.00 177.39 176.84 1ljj n GLN 57 N -0.73 -0.57 -2.51 3.23 1.13 -0.26 -4.90 117.38 112.77 1ljj n GLN 57 Ca 0.12 0.17 -0.41 0.00 -1.94 0.00 0.00 57.00 54.94 1ljj n GLN 57 Cb 0.55 -2.99 -0.04 0.00 0.11 0.00 0.00 30.24 27.88 1ljj n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ljj s ILE 58 N -3.56 4.06 0.12 5.09 1.01 -0.23 -4.37 121.20 123.32 1ljj s ILE 58 Ca 0.46 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 62.44 1ljj s ILE 58 Cb -0.23 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 1ljj s ILE 58 CO 0.95 0.21 0.95 0.21 0.00 0.00 0.00 174.94 177.26 1ljj s ASN 59 N 0.41 7.50 0.45 3.58 3.84 -1.26 -0.52 114.94 128.94 1ljj s ASN 59 Ca 0.53 1.79 0.30 0.00 0.21 0.00 0.00 52.86 55.69 1ljj s ASN 59 Cb -0.28 -2.59 1.12 0.00 -0.55 0.00 0.00 41.25 38.96 1ljj s ASN 59 CO 0.32 -0.05 1.86 0.77 -2.79 0.00 0.00 177.10 177.21 1ljj h SER 60 N 5.48 0.00 -0.05 -4.21 4.64 -1.39 -2.56 113.55 115.46 1ljj h SER 60 Ca -0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 1ljj h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1ljj h SER 60 CO 0.71 0.00 -0.22 -0.09 -0.87 0.00 0.00 176.83 176.36 1ljj h ARG 61 N 0.00 0.45 0.00 4.77 2.43 -1.84 -3.39 114.38 116.80 1ljj h ARG 61 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1ljj h ARG 61 Cb 0.54 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1ljj h ARG 61 CO 0.00 0.65 -0.72 0.91 -1.51 0.00 0.00 179.97 179.30 1ljj n TRP 62 N -4.14 0.00 -0.07 2.20 8.01 -1.23 -0.67 117.44 121.54 1ljj n TRP 62 Ca -0.00 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.07 1ljj n TRP 62 Cb 0.38 0.00 -0.15 0.00 -2.01 0.00 0.00 31.31 29.54 1ljj n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 1ljj n TRP 63 N -1.54 0.47 -4.11 -5.99 7.02 -0.97 -1.66 117.44 110.67 1ljj n TRP 63 Ca 0.00 0.15 -0.08 0.00 -1.02 0.00 0.00 57.50 56.55 1ljj n TRP 63 Cb 0.33 -1.08 -0.10 0.00 -2.42 0.00 0.00 31.31 28.04 1ljj n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ljj s ASN 65 N -2.97 5.41 0.00 0.00 2.47 -0.69 -4.52 114.94 114.64 1ljj s ASN 65 Ca 0.13 -0.13 0.05 0.00 0.42 0.00 0.00 52.86 53.33 1ljj s ASN 65 Cb 0.08 -1.98 0.14 0.00 -1.45 0.00 0.00 41.25 38.04 1ljj s ASN 65 CO -0.06 -0.02 1.12 -0.90 -3.72 0.00 0.00 177.10 173.52 1ljj n ASP 66 N 4.82 2.43 -0.22 -4.21 5.68 -1.26 -1.35 116.55 122.43 1ljj n ASP 66 Ca -0.16 -1.99 -0.03 0.00 -0.50 0.00 0.00 54.79 52.11 1ljj n ASP 66 Cb 0.52 -0.11 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 1ljj n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ljj n GLY 67 N -0.02 0.32 0.91 6.12 0.00 -1.26 -4.77 105.19 106.49 1ljj n GLY 67 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1ljj n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ljj n ARG 68 N 0.21 0.01 -3.96 1.61 1.85 -1.26 -5.04 116.66 110.08 1ljj n ARG 68 Ca -0.03 -1.43 -0.34 0.00 -1.00 0.00 0.00 57.85 55.05 1ljj n ARG 68 Cb 0.49 -0.31 -0.14 0.00 -1.05 0.00 0.00 32.46 31.45 1ljj n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ljj s THR 69 N -0.03 2.76 0.38 8.89 2.01 -1.26 -4.89 115.64 123.50 1ljj s THR 69 Ca 0.14 -1.29 -0.26 0.00 0.31 0.00 0.00 61.69 60.59 1ljj s THR 69 Cb 0.16 -2.51 -0.11 0.00 0.01 0.00 0.00 72.50 70.04 1ljj s THR 69 CO -0.07 0.04 1.13 -2.65 -0.69 0.00 0.00 174.62 172.37 1ljj n PRO 70 N 4.60 1.64 -4.07 4.92 -0.02 -1.26 -2.41 135.00 138.40 1ljj n PRO 70 Ca -0.15 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 1ljj n PRO 70 Cb 0.45 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1ljj n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ljj n GLY 71 N 1.02 -0.46 3.85 -1.23 0.00 -1.26 -4.92 105.19 102.19 1ljj n GLY 71 Ca 0.08 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1ljj n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ljj s SER 72 N -3.17 6.73 0.02 1.61 1.04 -1.01 -4.94 113.70 113.97 1ljj s SER 72 Ca 0.69 1.39 0.08 0.00 0.48 0.00 0.00 55.95 58.59 1ljj s SER 72 Cb -0.38 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.30 1ljj s SER 72 CO 0.85 -0.35 -0.23 -0.60 0.98 0.00 0.00 173.24 173.89 1ljj s ARG 73 N -3.41 1.66 -0.85 4.02 3.52 0.15 -4.99 118.95 119.06 1ljj s ARG 73 Ca 0.56 -0.95 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 1ljj s ARG 73 Cb -0.10 -1.74 0.28 0.00 -1.56 0.00 0.00 34.95 31.83 1ljj s ARG 73 CO 0.22 0.46 1.10 -1.71 -0.81 0.00 0.00 175.30 174.56 1ljj n ASN 74 N 2.05 5.05 0.27 -2.12 5.15 -1.25 -3.44 115.26 120.97 1ljj n ASN 74 Ca -0.17 -3.44 0.14 0.00 -0.60 0.00 0.00 54.58 50.52 1ljj n ASN 74 Cb 0.52 -0.95 0.77 0.00 -0.53 0.00 0.00 39.78 39.59 1ljj n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ljj h LEU 75 N 4.75 0.00 -1.57 1.20 3.38 -1.41 -1.88 115.31 119.78 1ljj h LEU 75 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ljj h LEU 75 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ljj h LEU 75 CO 1.08 0.09 0.00 0.00 0.09 0.00 0.00 178.44 179.70 1ljj n ASN 77 N 0.90 -2.61 -3.76 0.00 2.85 -0.71 -4.99 115.26 106.94 1ljj n ASN 77 Ca 0.16 -0.80 -0.12 0.00 -0.11 0.00 0.00 54.58 53.71 1ljj n ASN 77 Cb 0.50 -4.03 -0.08 0.00 1.24 0.00 0.00 39.78 37.41 1ljj n ASN 77 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1ljj s ILE 78 N -3.53 0.07 0.34 -1.44 -5.25 -1.26 -5.08 121.20 105.05 1ljj s ILE 78 Ca 0.25 -0.61 -0.27 0.00 -0.99 0.00 0.00 60.65 59.04 1ljj s ILE 78 Cb -0.13 -0.83 -0.09 0.00 2.95 0.00 0.00 42.46 44.36 1ljj s ILE 78 CO 0.82 -0.33 1.08 -2.16 -1.79 0.00 0.00 174.94 172.55 1ljj s PRO 79 N -2.13 4.41 0.47 0.37 0.04 -1.26 -1.70 135.00 135.21 1ljj s PRO 79 Ca -0.08 1.67 0.16 0.00 0.04 0.00 0.00 61.00 62.79 1ljj s PRO 79 Cb -0.02 -2.89 1.13 0.00 0.04 0.00 0.00 34.50 32.76 1ljj s PRO 79 CO -0.01 0.05 2.03 0.00 0.04 0.00 0.00 177.00 179.10 1ljj h SER 81 N 0.26 0.00 0.88 0.00 4.64 -1.91 0.10 113.55 117.52 1ljj h SER 81 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ljj h SER 81 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1ljj h SER 81 CO -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 1ljj h ALA 82 N 1.94 1.00 -0.07 5.18 0.00 -1.63 -1.80 119.26 123.88 1ljj h ALA 82 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ljj h ALA 82 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ljj h ALA 82 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1ljj n LEU 83 N -2.94 0.81 -0.70 0.00 4.77 0.35 -3.44 117.00 115.86 1ljj n LEU 83 Ca 0.01 -0.32 0.06 0.00 -0.03 0.00 0.00 56.01 55.72 1ljj n LEU 83 Cb 0.27 -0.04 0.18 0.00 -2.33 0.00 0.00 43.42 41.50 1ljj n LEU 83 CO 0.25 0.16 0.65 0.18 -1.33 0.00 0.00 177.39 177.30 1ljj n LEU 84 N -0.27 3.21 -4.90 2.23 4.77 -0.68 -3.63 117.00 117.73 1ljj n LEU 84 Ca 0.16 -2.36 -0.29 0.00 -0.03 0.00 0.00 56.01 53.50 1ljj n LEU 84 Cb 0.20 -0.33 0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1ljj n LEU 84 CO 0.13 0.70 0.68 -0.94 -1.33 0.00 0.00 177.39 176.64 1ljj s SER 85 N -1.34 5.37 0.47 -1.43 1.04 -1.22 -4.45 113.70 112.14 1ljj s SER 85 Ca 0.29 0.95 0.27 0.00 0.48 0.00 0.00 55.95 57.93 1ljj s SER 85 Cb 0.19 -1.76 1.00 0.00 0.10 0.00 0.00 66.02 65.54 1ljj s SER 85 CO 0.13 -1.32 1.85 0.28 0.98 0.00 0.00 173.24 175.15 1ljj h SER 86 N -0.55 0.00 -3.46 7.02 0.02 -1.93 -3.42 113.55 111.24 1ljj h SER 86 Ca -0.45 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.90 1ljj h SER 86 Cb 1.26 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.69 1ljj h SER 86 CO 0.63 0.15 -0.22 -0.62 -1.14 0.00 0.00 176.83 175.62 1ljj s ASP 87 N -6.04 6.43 0.00 3.07 -1.08 -1.26 -4.97 116.67 112.82 1ljj s ASP 87 Ca 0.01 0.51 0.31 0.00 -0.52 0.00 0.00 52.55 52.86 1ljj s ASP 87 Cb 0.09 -2.22 1.59 0.00 -1.46 0.00 0.00 42.92 40.92 1ljj s ASP 87 CO 0.61 -0.05 2.07 2.30 0.52 0.00 0.00 175.17 180.62 1ljj n ILE 88 N 4.24 0.00 -0.32 4.11 -5.35 -1.26 -4.36 119.36 116.42 1ljj n ILE 88 Ca -0.09 -0.02 -0.06 0.00 -0.27 0.00 0.00 62.75 62.31 1ljj n ILE 88 Cb 0.51 -0.37 -0.02 0.00 -1.74 0.00 0.00 39.64 38.02 1ljj n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ljj h THR 89 N 0.22 0.04 -0.48 7.28 2.02 -1.96 0.73 112.91 120.76 1ljj h THR 89 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1ljj h THR 89 Cb 0.20 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.60 1ljj h THR 89 CO 0.00 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.07 1ljj h ALA 90 N 0.90 0.59 -0.67 6.16 0.00 -1.87 -1.58 119.26 122.79 1ljj h ALA 90 Ca 0.24 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1ljj h ALA 90 Cb 0.54 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ljj h ALA 90 CO -0.85 -0.20 0.11 0.77 0.00 0.00 0.00 179.25 179.07 1ljj h SER 91 N 0.37 1.06 -0.26 0.00 0.02 -1.48 -2.42 113.55 110.85 1ljj h SER 91 Ca 0.22 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1ljj h SER 91 Cb 0.21 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1ljj h SER 91 CO -0.22 1.05 0.05 0.58 -1.14 0.00 0.00 176.83 177.15 1ljj h VAL 92 N 1.03 1.22 -0.32 2.27 2.07 -0.50 0.13 116.25 122.15 1ljj h VAL 92 Ca 0.20 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 1ljj h VAL 92 Cb 0.44 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1ljj h VAL 92 CO 0.01 0.24 -0.03 0.78 0.02 0.00 0.00 177.57 178.59 1ljj h ASN 93 N 0.24 0.48 -0.17 0.57 2.35 -1.28 0.38 115.58 118.15 1ljj h ASN 93 Ca 0.08 -0.10 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 1ljj h ASN 93 Cb 0.32 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.57 1ljj h ASN 93 CO 0.00 0.57 -0.66 0.00 -1.65 0.00 0.00 177.43 175.70 1ljj h ALA 95 N 0.56 1.53 -0.13 0.00 0.00 -0.21 -1.07 119.26 119.94 1ljj h ALA 95 Ca -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ljj h ALA 95 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ljj h ALA 95 CO 0.14 0.37 -0.07 0.87 0.00 0.00 0.00 179.25 180.55 1ljj h LYS 96 N 0.57 0.19 0.11 0.00 1.57 -0.84 -0.49 116.57 117.68 1ljj h LYS 96 Ca 0.14 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.59 1ljj h LYS 96 Cb 0.11 -0.03 0.03 0.00 0.08 0.00 0.00 32.23 32.42 1ljj h LYS 96 CO -0.01 0.28 -1.23 -0.22 -0.57 0.00 0.00 179.45 177.69 1ljj h LYS 97 N 0.19 0.61 -0.25 3.15 3.64 -1.16 -3.22 116.57 119.53 1ljj h LYS 97 Ca 0.04 -0.81 -0.02 0.00 -1.27 0.00 0.00 60.65 58.60 1ljj h LYS 97 Cb 0.26 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ljj h LYS 97 CO 0.01 1.37 0.09 0.82 -2.27 0.00 0.00 179.45 179.47 1ljj h ILE 98 N 0.28 1.18 0.00 2.00 2.04 -0.83 -2.60 117.51 119.57 1ljj h ILE 98 Ca -0.18 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 1ljj h ILE 98 Cb 1.90 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1ljj h ILE 98 CO 0.23 0.18 -0.03 1.62 0.00 0.00 0.00 178.15 180.15 1ljj h VAL 99 N 0.24 0.36 -0.60 1.67 3.04 -1.22 0.80 116.25 120.55 1ljj h VAL 99 Ca 0.08 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1ljj h VAL 99 Cb 0.20 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1ljj h VAL 99 CO -0.01 0.03 0.00 -1.20 -1.01 0.00 0.00 177.57 175.39 1ljj n SER 100 N -3.54 3.35 -0.57 3.17 7.64 -1.01 -3.40 113.62 119.27 1ljj n SER 100 Ca -0.02 -2.05 0.03 0.00 1.01 0.00 0.00 58.87 57.83 1ljj n SER 100 Cb 0.14 -0.42 0.09 0.00 -1.01 0.00 0.00 64.21 63.01 1ljj n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ljj n ASP 101 N 1.23 1.52 0.00 6.43 2.03 0.27 -4.87 116.55 123.17 1ljj n ASP 101 Ca 0.20 -2.10 0.00 0.00 0.52 0.00 0.00 54.79 53.41 1ljj n ASP 101 Cb 0.54 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1ljj n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ljj n GLY 102 N 0.53 0.91 0.00 0.27 0.00 -1.26 -4.94 105.19 100.70 1ljj n GLY 102 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ljj n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ljj n ASN 103 N 0.00 0.40 0.00 1.61 3.02 -1.26 -5.13 115.26 113.90 1ljj n ASN 103 Ca 0.00 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1ljj n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ljj n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ljj n GLY 104 N -0.08 1.26 0.00 7.41 0.00 -1.22 -1.60 105.19 110.96 1ljj n GLY 104 Ca 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.54 1ljj n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ljj n MET 105 N 1.64 0.98 0.05 1.61 2.81 -1.26 -3.44 117.12 119.51 1ljj n MET 105 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 1ljj n MET 105 Cb 0.00 -1.30 0.27 0.00 -0.71 0.00 0.00 33.22 31.49 1ljj n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ljj n ASN 106 N -0.80 0.20 0.26 7.83 3.02 -0.62 -1.69 115.26 123.47 1ljj n ASN 106 Ca 0.14 0.57 0.12 0.00 -0.03 0.00 0.00 54.58 55.39 1ljj n ASN 106 Cb 0.06 -0.61 0.74 0.00 -0.61 0.00 0.00 39.78 39.36 1ljj n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ljj h ALA 107 N 2.19 1.37 -2.44 5.41 0.00 -1.71 -3.37 119.26 120.71 1ljj h ALA 107 Ca 0.00 -0.10 -0.73 0.00 0.00 0.00 0.00 54.91 54.08 1ljj h ALA 107 Cb 0.13 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 17.67 1ljj h ALA 107 CO 0.00 0.13 -0.37 -1.58 0.00 0.00 0.00 179.25 177.43 1ljj s TRP 108 N -4.32 3.26 0.31 0.00 0.51 -0.68 -4.96 118.94 113.05 1ljj s TRP 108 Ca -0.03 -1.03 0.02 0.00 -2.12 0.00 0.00 56.10 52.94 1ljj s TRP 108 Cb 0.14 -3.05 0.58 0.00 -0.81 0.00 0.00 33.47 30.33 1ljj s TRP 108 CO 0.59 -0.79 1.89 -0.24 -0.51 0.00 0.00 176.95 177.90 1ljj h VAL 109 N 5.82 1.01 -0.05 4.03 3.04 -1.85 -1.10 116.25 127.15 1ljj h VAL 109 Ca -0.27 -0.33 -0.09 0.00 -1.01 0.00 0.00 66.70 65.00 1ljj h VAL 109 Cb 1.10 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 1ljj h VAL 109 CO 0.83 0.18 -0.36 0.00 -1.01 0.00 0.00 177.57 177.21 1ljj h ALA 110 N 1.53 1.30 -0.08 3.17 0.00 -1.93 0.18 119.26 123.43 1ljj h ALA 110 Ca 0.41 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ljj h ALA 110 Cb 0.32 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ljj h ALA 110 CO -0.17 0.50 -0.02 2.35 0.00 0.00 0.00 179.25 181.91 1ljj h TRP 111 N 0.09 0.18 -0.83 0.00 7.01 -1.53 -0.30 115.95 120.56 1ljj h TRP 111 Ca 0.01 -0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.03 1ljj h TRP 111 Cb 0.69 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.65 1ljj h TRP 111 CO 0.00 0.49 0.51 -0.09 -2.79 0.00 0.00 178.44 176.57 1ljj h ARG 112 N -0.19 0.91 0.00 2.65 1.12 -0.99 0.46 114.38 118.34 1ljj h ARG 112 Ca 0.02 -0.06 -0.16 0.00 -1.11 0.00 0.00 59.98 58.67 1ljj h ARG 112 Cb 0.44 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 30.17 1ljj h ARG 112 CO 0.01 0.61 -0.78 -0.91 -3.11 0.00 0.00 179.97 175.79 1ljj h ASN 113 N 0.94 0.00 0.00 -3.80 2.35 -0.87 -3.37 115.58 110.83 1ljj h ASN 113 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1ljj h ASN 113 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1ljj h ASN 113 CO -0.17 0.78 0.00 0.54 -1.65 0.00 0.00 177.43 176.93 1ljj n ARG 114 N -3.30 3.86 -0.01 0.81 1.74 -0.13 -4.88 116.66 114.75 1ljj n ARG 114 Ca 0.01 -0.08 -0.02 0.00 -0.77 0.00 0.00 57.85 56.99 1ljj n ARG 114 Cb 0.85 -0.49 -0.01 0.00 -1.02 0.00 0.00 32.46 31.79 1ljj n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ljj n LYS 116 N -2.54 1.72 -0.92 0.00 4.81 -0.19 -1.22 118.16 119.83 1ljj n LYS 116 Ca -0.04 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1ljj n LYS 116 Cb 0.55 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1ljj n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ljj n GLY 117 N 3.46 0.84 3.99 3.14 0.00 -1.26 -4.99 105.19 110.38 1ljj n GLY 117 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1ljj n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ljj s THR 118 N -3.52 2.61 -1.35 2.61 -4.23 -0.36 -4.98 115.64 106.42 1ljj s THR 118 Ca 0.00 -0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 59.56 1ljj s THR 118 Cb 0.00 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 71.08 1ljj s THR 118 CO 0.00 0.00 1.91 -0.67 -0.54 0.00 0.00 174.62 175.32 1ljj n ASP 119 N -2.27 4.57 0.05 3.99 2.03 -1.26 -4.76 116.55 118.90 1ljj n ASP 119 Ca 0.10 -2.90 0.06 0.00 0.52 0.00 0.00 54.79 52.57 1ljj n ASP 119 Cb 0.60 -1.71 0.28 0.00 -0.72 0.00 0.00 41.12 39.57 1ljj n ASP 119 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ljj n VAL 120 N 5.80 1.35 0.26 5.18 0.24 -1.26 -2.53 118.33 127.37 1ljj n VAL 120 Ca 0.49 0.43 0.11 0.00 -2.04 0.00 0.00 64.34 63.34 1ljj n VAL 120 Cb 0.43 -1.35 0.72 0.00 -1.47 0.00 0.00 33.84 32.18 1ljj n VAL 120 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1ljj h GLN 121 N 0.00 0.00 -0.27 7.34 4.15 -1.90 -2.34 115.11 122.10 1ljj h GLN 121 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1ljj h GLN 121 Cb 0.13 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1ljj h GLN 121 CO 0.00 0.10 0.18 0.00 -1.93 0.00 0.00 178.83 177.18 1ljj h ALA 122 N 1.90 1.82 0.00 3.38 0.00 -1.90 -1.76 119.26 122.70 1ljj h ALA 122 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ljj h ALA 122 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ljj h ALA 122 CO 0.01 0.16 0.00 0.91 0.00 0.00 0.00 179.25 180.34 1ljj n TRP 123 N -4.50 0.00 0.20 0.00 7.02 -0.88 -1.50 117.44 117.79 1ljj n TRP 123 Ca 0.01 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.55 1ljj n TRP 123 Cb 0.08 -0.38 0.10 0.00 -2.42 0.00 0.00 31.31 28.69 1ljj n TRP 123 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18 1ljj n ILE 124 N -1.38 0.44 -1.90 -0.99 0.13 -0.66 -4.86 119.36 110.14 1ljj n ILE 124 Ca 0.04 -0.72 -0.40 0.00 -1.10 0.00 0.00 62.75 60.56 1ljj n ILE 124 Cb 0.10 0.92 -0.00 0.00 -0.84 0.00 0.00 39.64 39.82 1ljj n ILE 124 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ljj s ARG 125 N -1.01 4.03 0.00 9.51 1.70 -0.56 -2.43 118.95 130.18 1ljj s ARG 125 Ca 0.19 2.40 0.00 0.00 -0.47 0.00 0.00 55.73 57.86 1ljj s ARG 125 Cb 0.12 -2.88 0.00 0.00 -0.57 0.00 0.00 34.95 31.62 1ljj s ARG 125 CO 0.16 -0.53 0.00 0.41 -1.08 0.00 0.00 175.30 174.26 1ljj n GLY 126 N 0.58 1.86 3.71 3.88 0.00 -1.26 -4.95 105.19 109.02 1ljj n GLY 126 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ljj n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ljj n ARG 128 N 3.83 3.61 0.00 0.00 3.00 -1.26 -5.12 116.66 120.71 1ljj n ARG 128 Ca 0.04 -4.17 0.15 0.00 -0.01 0.00 0.00 57.85 53.86 1ljj n ARG 128 Cb 0.51 -2.75 0.69 0.00 0.00 0.00 0.00 32.46 30.91 1ljj n ARG 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91