#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i56 n LYS 2 N 0.00 -2.51 -2.36 -1.46 2.85 -1.14 -3.15 118.16 110.39 1i56 n LYS 2 Ca 0.00 -0.36 -0.39 0.00 -1.05 0.00 0.00 58.31 56.51 1i56 n LYS 2 Cb 0.00 -0.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.87 1i56 n LYS 2 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1i56 n ILE 3 N -3.67 3.33 -1.46 0.58 5.41 -1.26 -4.26 119.36 118.04 1i56 n ILE 3 Ca 0.03 -3.43 0.00 0.00 1.00 0.00 0.00 62.75 60.36 1i56 n ILE 3 Cb 0.15 -2.32 0.00 0.00 -0.71 0.00 0.00 39.64 36.76 1i56 n ILE 3 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1i56 n PHE 4 N 9.82 -2.77 -4.09 1.39 3.01 -1.25 -5.06 117.46 118.52 1i56 n PHE 4 Ca 0.48 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.88 1i56 n PHE 4 Cb 0.46 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.90 1i56 n PHE 4 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1i56 n SER 5 N -2.27 -0.17 0.26 4.37 7.64 -1.26 -4.83 113.62 117.36 1i56 n SER 5 Ca 0.00 -1.69 -0.14 0.00 1.01 0.00 0.00 58.87 58.06 1i56 n SER 5 Cb 0.00 0.52 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 1i56 n SER 5 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1i56 h LYS 6 N 0.00 -0.67 -0.11 1.43 1.57 -1.99 -2.12 116.57 114.69 1i56 h LYS 6 Ca -0.07 0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.53 1i56 h LYS 6 Cb 0.38 0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.85 1i56 h LYS 6 CO 0.11 -0.37 -0.81 0.00 -0.57 0.00 0.00 179.45 177.81 1i56 h GLU 8 N 0.44 0.09 -0.11 0.00 4.57 -1.96 0.24 114.58 117.85 1i56 h GLU 8 Ca -0.06 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.00 1i56 h GLU 8 Cb 1.43 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 1i56 h GLU 8 CO 0.16 0.06 -0.46 1.25 -1.18 0.00 0.00 179.01 178.84 1i56 h LEU 9 N 0.10 0.29 -0.32 1.64 6.46 -1.44 -1.97 115.31 120.06 1i56 h LEU 9 Ca 0.12 -0.13 -0.09 0.00 -0.12 0.00 0.00 57.88 57.66 1i56 h LEU 9 Cb 0.15 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1i56 h LEU 9 CO -0.19 0.71 -0.16 0.00 -0.62 0.00 0.00 178.44 178.18 1i56 h ALA 10 N 1.30 0.46 -0.21 1.25 0.00 -0.86 -1.87 119.26 119.33 1i56 h ALA 10 Ca 0.01 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1i56 h ALA 10 Cb 0.90 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1i56 h ALA 10 CO 0.07 0.37 -0.56 0.00 0.00 0.00 0.00 179.25 179.13 1i56 h ARG 11 N 0.45 0.63 -0.11 0.00 2.47 -0.50 -1.66 114.38 115.66 1i56 h ARG 11 Ca 0.07 -0.41 -0.01 0.00 -1.26 0.00 0.00 59.98 58.37 1i56 h ARG 11 Cb 0.69 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1i56 h ARG 11 CO 0.05 1.02 0.01 -0.22 0.56 0.00 0.00 179.97 181.39 1i56 h LYS 12 N 0.48 0.18 -0.48 0.04 1.63 -1.33 -2.36 116.57 114.74 1i56 h LYS 12 Ca 0.01 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.67 1i56 h LYS 12 Cb 1.12 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 1i56 h LYS 12 CO 0.11 0.40 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.39 1i56 h LEU 13 N -0.06 0.83 -0.88 5.20 4.07 -1.36 -2.84 115.31 120.26 1i56 h LEU 13 Ca 0.03 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 57.78 1i56 h LEU 13 Cb 0.31 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.78 1i56 h LEU 13 CO 0.00 0.92 0.58 0.50 -1.08 0.00 0.00 178.44 179.36 1i56 h LYS 14 N 0.77 1.12 -0.60 1.13 3.11 -1.20 0.46 116.57 121.37 1i56 h LYS 14 Ca 0.14 -0.07 -0.05 0.00 -2.81 0.00 0.00 60.65 57.86 1i56 h LYS 14 Cb 0.54 -0.25 -0.03 0.00 -1.00 0.00 0.00 32.23 31.49 1i56 h LYS 14 CO 0.03 0.74 0.18 1.03 -2.81 0.00 0.00 179.45 178.62 1i56 h SER 15 N 1.15 0.84 0.97 4.20 0.87 -1.19 -2.68 113.55 117.72 1i56 h SER 15 Ca 0.34 -0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 1i56 h SER 15 Cb -0.07 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 1i56 h SER 15 CO -0.09 0.80 -0.56 0.00 -0.53 0.00 0.00 176.83 176.44 1i56 h MET 16 N 0.88 0.00 0.00 2.24 -0.00 -1.29 -3.47 114.93 113.29 1i56 h MET 16 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.90 1i56 h MET 16 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 1i56 h MET 16 CO -0.01 0.56 0.00 0.41 -0.00 0.00 0.00 176.91 177.87 1i56 n GLY 17 N 0.64 1.55 0.02 -3.00 0.00 -0.68 -5.02 105.19 98.71 1i56 n GLY 17 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1i56 n GLY 17 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1i56 n MET 18 N 0.00 0.10 -1.91 1.61 0.00 0.07 -4.47 117.12 112.51 1i56 n MET 18 Ca 0.00 0.04 -0.43 0.00 0.00 0.00 0.00 57.70 57.31 1i56 n MET 18 Cb 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 33.22 31.62 1i56 n MET 18 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1i56 s ASP 19 N -3.43 6.31 -1.30 6.12 -4.77 -1.25 -1.55 116.67 116.79 1i56 s ASP 19 Ca 0.10 2.03 0.00 0.00 -3.30 0.00 0.00 52.55 51.38 1i56 s ASP 19 Cb 0.16 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.47 1i56 s ASP 19 CO 0.67 -1.26 0.00 0.61 0.70 0.00 0.00 175.17 175.89 1i56 n GLY 20 N 4.70 1.31 3.68 2.12 0.00 -0.51 -4.85 105.19 111.63 1i56 n GLY 20 Ca 0.20 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1i56 n GLY 20 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i56 s PHE 21 N -2.40 1.89 -1.44 1.61 5.36 -0.60 -2.09 117.98 120.32 1i56 s PHE 21 Ca 0.00 -0.08 -0.08 0.00 -0.96 0.00 0.00 56.93 55.81 1i56 s PHE 21 Cb 0.00 -4.13 0.04 0.00 -0.34 0.00 0.00 43.02 38.59 1i56 s PHE 21 CO 0.00 -4.79 0.67 0.72 -1.46 0.00 0.00 175.22 170.36 1i56 n HIS 22 N 6.45 -2.03 -0.49 10.12 8.25 -1.26 -0.13 115.22 136.13 1i56 n HIS 22 Ca 0.18 0.61 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 1i56 n HIS 22 Cb 0.40 -3.90 0.00 0.00 1.12 0.00 0.00 29.99 27.61 1i56 n HIS 22 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i56 n GLY 23 N -1.47 1.97 3.47 -1.41 0.00 -0.89 -4.98 105.19 101.89 1i56 n GLY 23 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1i56 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i56 s TYR 24 N -3.48 2.81 1.27 1.61 2.02 0.82 -4.90 117.35 117.50 1i56 s TYR 24 Ca 0.00 -0.38 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 1i56 s TYR 24 Cb 0.00 -4.05 0.32 0.00 -0.40 0.00 0.00 41.96 37.83 1i56 s TYR 24 CO 0.00 -1.40 0.94 0.45 -1.57 0.00 0.00 175.55 173.97 1i56 n SER 25 N 7.24 -2.53 -0.36 2.29 2.88 -1.26 -1.42 113.62 120.46 1i56 n SER 25 Ca -0.03 -0.39 -0.00 0.00 -1.33 0.00 0.00 58.87 57.13 1i56 n SER 25 Cb 0.46 -1.17 0.15 0.00 -0.75 0.00 0.00 64.21 62.90 1i56 n SER 25 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1i56 h LEU 26 N -2.99 1.09 -0.88 2.46 3.38 -1.89 -2.48 115.31 114.00 1i56 h LEU 26 Ca -0.58 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 57.48 1i56 h LEU 26 Cb 1.34 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1i56 h LEU 26 CO 0.43 0.76 0.51 0.00 0.09 0.00 0.00 178.44 180.23 1i56 h ALA 27 N 1.42 1.28 -1.00 1.53 0.00 -1.96 -1.41 119.26 119.11 1i56 h ALA 27 Ca 0.38 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.45 1i56 h ALA 27 Cb -0.04 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.52 1i56 h ALA 27 CO -0.11 0.12 0.63 -0.91 0.00 0.00 0.00 179.25 178.98 1i56 h ASN 28 N 0.83 0.92 0.23 0.00 2.35 -1.76 0.11 115.58 118.27 1i56 h ASN 28 Ca 0.43 0.05 -0.23 0.00 -0.55 0.00 0.00 56.30 56.00 1i56 h ASN 28 Cb 0.42 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.66 1i56 h ASN 28 CO -0.26 0.48 -0.94 -0.50 -1.65 0.00 0.00 177.43 174.56 1i56 h TRP 29 N 0.99 0.73 0.30 1.19 4.06 -1.36 -2.98 115.95 118.87 1i56 h TRP 29 Ca 0.50 -0.39 -0.01 0.00 2.06 0.00 0.00 58.89 61.05 1i56 h TRP 29 Cb 0.51 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 1i56 h TRP 29 CO -0.00 1.21 -0.14 0.28 -3.56 0.00 0.00 178.44 176.22 1i56 h VAL 30 N 0.29 0.51 -0.59 1.49 2.07 -0.53 -2.96 116.25 116.53 1i56 h VAL 30 Ca -0.09 -0.81 0.10 0.00 0.82 0.00 0.00 66.70 66.72 1i56 h VAL 30 Cb 1.58 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1i56 h VAL 30 CO 0.17 0.12 0.40 0.00 0.02 0.00 0.00 177.57 178.27 1i56 h MET 32 N 0.36 0.39 0.00 0.00 -1.53 -1.55 -2.15 114.93 110.44 1i56 h MET 32 Ca 0.27 -0.08 -0.05 0.00 -3.44 0.00 0.00 59.70 56.41 1i56 h MET 32 Cb 0.59 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.58 1i56 h MET 32 CO -0.07 0.45 -0.23 0.00 0.14 0.00 0.00 176.91 177.20 1i56 h ALA 33 N 0.92 0.87 0.00 0.39 0.00 -1.16 -1.59 119.26 118.70 1i56 h ALA 33 Ca 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1i56 h ALA 33 Cb 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1i56 h ALA 33 CO -0.00 0.29 -0.08 1.49 0.00 0.00 0.00 179.25 180.94 1i56 h GLU 34 N 0.00 0.00 0.00 0.00 4.81 -0.31 -1.23 114.58 117.85 1i56 h GLU 34 Ca -0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1i56 h GLU 34 Cb 1.09 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 1i56 h GLU 34 CO 0.03 0.08 -1.86 0.98 -0.73 0.00 0.00 179.01 177.51 1i56 n TYR 35 N -3.16 0.00 0.27 0.92 9.36 -0.83 -3.50 117.16 120.22 1i56 n TYR 35 Ca 0.02 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.12 1i56 n TYR 35 Cb 0.43 -0.60 -0.05 0.00 -0.63 0.00 0.00 39.34 38.48 1i56 n TYR 35 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1i56 h GLU 36 N 0.00 -0.72 -0.00 2.98 4.39 -1.39 -3.38 114.58 116.46 1i56 h GLU 36 Ca -0.34 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1i56 h GLU 36 Cb 1.65 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1i56 h GLU 36 CO -0.01 -0.48 -0.54 -1.13 -1.16 0.00 0.00 179.01 175.68 1i56 n SER 37 N -5.09 0.70 -3.51 1.42 3.41 -1.16 -4.93 113.62 104.46 1i56 n SER 37 Ca -0.09 -0.85 -0.20 0.00 -0.26 0.00 0.00 58.87 57.47 1i56 n SER 37 Cb 0.29 0.93 0.08 0.00 -0.26 0.00 0.00 64.21 65.25 1i56 n SER 37 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i56 n ASN 38 N -1.14 -3.57 -1.36 4.04 5.03 -0.48 -1.57 115.26 116.21 1i56 n ASN 38 Ca 0.03 -0.60 -0.16 0.00 0.87 0.00 0.00 54.58 54.71 1i56 n ASN 38 Cb 0.20 -5.03 -0.07 0.00 -1.02 0.00 0.00 39.78 33.87 1i56 n ASN 38 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1i56 n PHE 39 N -4.46 -0.12 -3.46 3.10 3.72 -1.13 -4.94 117.46 110.17 1i56 n PHE 39 Ca -0.18 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.85 1i56 n PHE 39 Cb 0.63 -3.01 -0.07 0.00 -0.94 0.00 0.00 39.48 36.09 1i56 n PHE 39 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1i56 s ASN 40 N -2.45 6.42 0.34 4.37 2.47 -0.61 -3.74 114.94 121.75 1i56 s ASN 40 Ca 0.00 0.49 0.16 0.00 0.42 0.00 0.00 52.86 53.93 1i56 s ASN 40 Cb 0.00 -2.21 0.56 0.00 -1.45 0.00 0.00 41.25 38.15 1i56 s ASN 40 CO 0.00 0.00 1.69 0.00 -3.72 0.00 0.00 177.10 175.07 1i56 h THR 41 N 4.89 1.06 -0.28 -5.21 1.03 -1.72 -2.99 112.91 109.67 1i56 h THR 41 Ca -0.38 -1.73 0.00 0.00 -0.01 0.00 0.00 66.41 64.28 1i56 h THR 41 Cb 1.16 2.01 0.00 0.00 -1.07 0.00 0.00 68.15 70.26 1i56 h THR 41 CO 0.73 0.45 0.00 0.00 -0.01 0.00 0.00 175.52 176.68 1i56 n GLN 42 N -3.60 2.24 -2.31 0.00 6.02 -1.26 -4.42 117.38 114.06 1i56 n GLN 42 Ca -0.00 -1.87 -0.43 0.00 -0.01 0.00 0.00 57.00 54.69 1i56 n GLN 42 Cb 0.55 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.31 1i56 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i56 s ALA 43 N -1.64 3.63 0.06 -1.58 0.00 -1.13 -4.97 121.76 116.14 1i56 s ALA 43 Ca 0.36 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 1i56 s ALA 43 Cb 0.21 -3.66 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1i56 s ALA 43 CO 0.30 -1.27 0.29 -0.59 0.00 0.00 0.00 175.76 174.49 1i56 s PHE 44 N 3.71 -0.07 0.20 0.00 -0.71 -1.26 -3.73 117.98 116.12 1i56 s PHE 44 Ca 0.60 -0.15 0.05 0.00 -1.04 0.00 0.00 56.93 56.39 1i56 s PHE 44 Cb -0.25 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 1i56 s PHE 44 CO 0.19 -0.54 0.23 1.21 -1.34 0.00 0.00 175.22 174.97 1i56 s ASN 45 N -2.32 5.84 -0.15 1.98 2.47 -0.29 -4.86 114.94 117.61 1i56 s ASN 45 Ca -0.02 -0.06 -0.04 0.00 0.42 0.00 0.00 52.86 53.15 1i56 s ASN 45 Cb 0.01 -1.61 -0.08 0.00 -1.45 0.00 0.00 41.25 38.12 1i56 s ASN 45 CO -0.06 0.01 -0.17 0.61 -3.72 0.00 0.00 177.10 173.76 1i56 n GLY 46 N -0.83 -0.24 3.26 1.21 0.00 -1.26 -2.42 105.19 104.91 1i56 n GLY 46 Ca -0.08 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1i56 n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1i56 s ARG 47 N -2.29 3.09 0.00 1.61 1.70 -1.17 -4.04 118.95 117.85 1i56 s ARG 47 Ca -0.21 -0.84 0.00 0.00 -0.47 0.00 0.00 55.73 54.21 1i56 s ARG 47 Cb 0.07 -2.37 0.00 0.00 -0.57 0.00 0.00 34.95 32.09 1i56 s ARG 47 CO 0.30 0.20 0.00 0.09 -1.08 0.00 0.00 175.30 174.82 1i56 n ASN 48 N 3.48 1.77 -0.28 -2.89 4.13 0.33 -4.78 115.26 117.01 1i56 n ASN 48 Ca -0.19 -0.15 -0.03 0.00 1.68 0.00 0.00 54.58 55.89 1i56 n ASN 48 Cb 0.53 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.86 1i56 n ASN 48 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1i56 h SER 49 N 0.00 0.83 -0.69 6.41 0.87 -2.00 -2.07 113.55 116.91 1i56 h SER 49 Ca 0.00 -0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.27 1i56 h SER 49 Cb 0.00 -0.19 -0.17 0.00 -0.44 0.00 0.00 62.40 61.60 1i56 h SER 49 CO 0.00 0.58 0.29 0.59 -0.53 0.00 0.00 176.83 177.76 1i56 n ASN 50 N -4.59 3.89 -0.55 6.23 3.02 -1.26 -4.87 115.26 117.12 1i56 n ASN 50 Ca 0.09 -3.45 -0.07 0.00 -0.03 0.00 0.00 54.58 51.12 1i56 n ASN 50 Cb 0.07 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 38.48 1i56 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i56 n GLY 51 N -0.72 0.73 1.29 7.41 0.00 -0.78 -4.97 105.19 108.17 1i56 n GLY 51 Ca 0.43 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1i56 n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i56 n SER 52 N 0.90 0.11 -3.84 1.61 7.64 -1.26 -4.34 113.62 114.44 1i56 n SER 52 Ca -0.07 -1.20 -0.11 0.00 1.01 0.00 0.00 58.87 58.50 1i56 n SER 52 Cb 0.28 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 63.07 1i56 n SER 52 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1i56 s SER 53 N -2.58 -0.00 0.08 6.43 1.04 -1.26 -0.51 113.70 116.90 1i56 s SER 53 Ca 0.25 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.48 1i56 s SER 53 Cb -0.01 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1i56 s SER 53 CO 0.17 -0.46 0.03 -1.81 0.98 0.00 0.00 173.24 172.15 1i56 s ASP 54 N -1.69 5.22 -0.03 7.02 1.01 -1.02 -0.77 116.67 126.42 1i56 s ASP 54 Ca -0.10 -0.10 -0.08 0.00 0.71 0.00 0.00 52.55 52.98 1i56 s ASP 54 Cb -0.04 -1.32 0.01 0.00 1.01 0.00 0.00 42.92 42.58 1i56 s ASP 54 CO -0.00 0.18 0.18 -0.31 0.21 0.00 0.00 175.17 175.43 1i56 s TYR 55 N -1.32 -0.08 0.00 4.23 2.02 -1.22 -1.14 117.35 119.84 1i56 s TYR 55 Ca 0.26 0.16 0.00 0.00 -0.37 0.00 0.00 57.07 57.12 1i56 s TYR 55 Cb -0.12 0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.45 1i56 s TYR 55 CO 0.19 -0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.35 1i56 n GLY 56 N 2.02 -2.92 0.23 0.71 0.00 -1.20 -2.73 105.19 101.30 1i56 n GLY 56 Ca -0.19 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 43.99 1i56 n GLY 56 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i56 h ILE 57 N 0.00 1.27 0.00 -0.61 2.10 -1.75 -2.70 117.51 115.82 1i56 h ILE 57 Ca 0.00 -1.33 -0.05 0.00 1.08 0.00 0.00 64.86 64.56 1i56 h ILE 57 Cb 0.00 1.45 -0.01 0.00 -1.09 0.00 0.00 36.82 37.17 1i56 h ILE 57 CO 0.00 0.41 -0.48 -0.26 -1.08 0.00 0.00 178.15 176.74 1i56 h PHE 58 N 0.35 0.00 -5.56 2.19 -1.00 -1.89 -3.27 116.94 107.76 1i56 h PHE 58 Ca 0.05 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.64 1i56 h PHE 58 Cb 0.71 0.00 0.11 0.00 3.61 0.00 0.00 35.95 40.38 1i56 h PHE 58 CO 0.02 0.23 -0.57 1.04 -1.61 0.00 0.00 178.31 177.42 1i56 n GLN 59 N -3.05 -1.77 -2.35 1.51 6.02 -1.02 -4.80 117.38 111.92 1i56 n GLN 59 Ca 0.01 1.05 -0.41 0.00 -0.01 0.00 0.00 57.00 57.64 1i56 n GLN 59 Cb 0.63 -5.48 -0.03 0.00 1.02 0.00 0.00 30.24 26.38 1i56 n GLN 59 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1i56 s LEU 60 N -4.99 4.48 -0.07 1.08 1.02 -1.15 -4.41 118.68 114.63 1i56 s LEU 60 Ca 0.28 2.34 -0.30 0.00 0.02 0.00 0.00 54.13 56.47 1i56 s LEU 60 Cb -0.05 -3.62 -0.05 0.00 0.02 0.00 0.00 46.19 42.49 1i56 s LEU 60 CO 0.76 -0.32 1.59 0.20 0.02 0.00 0.00 176.35 178.60 1i56 s ASN 61 N -0.36 6.71 -1.41 2.29 -0.87 -1.26 -3.40 114.94 116.66 1i56 s ASN 61 Ca 0.49 2.14 -0.15 0.00 -1.57 0.00 0.00 52.86 53.78 1i56 s ASN 61 Cb -0.34 -2.53 0.06 0.00 -0.02 0.00 0.00 41.25 38.42 1i56 s ASN 61 CO 0.41 -0.90 2.08 -1.54 -2.57 0.00 0.00 177.10 174.58 1i56 n SER 62 N 7.05 4.23 0.00 -1.22 3.41 0.05 -3.87 113.62 123.27 1i56 n SER 62 Ca 0.17 -2.88 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1i56 n SER 62 Cb 0.43 -1.67 0.00 0.00 -0.26 0.00 0.00 64.21 62.71 1i56 n SER 62 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i56 n LYS 63 N 6.46 0.03 0.00 4.33 3.00 -1.22 -4.45 118.16 126.31 1i56 n LYS 63 Ca 0.50 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.84 1i56 n LYS 63 Cb 0.40 -0.03 0.01 0.00 0.00 0.00 0.00 35.03 35.42 1i56 n LYS 63 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1i56 n TRP 64 N -0.46 0.00 -2.00 5.64 7.02 -1.25 0.15 117.44 126.54 1i56 n TRP 64 Ca 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.47 1i56 n TRP 64 Cb 0.00 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 28.88 1i56 n TRP 64 CO 0.00 0.00 0.00 -2.67 -2.02 0.00 0.00 177.69 173.00 1i56 n TRP 65 N 0.05 0.00 -3.63 -5.99 2.14 -1.26 -3.52 117.44 105.22 1i56 n TRP 65 Ca 0.03 -0.06 -0.09 0.00 2.07 0.00 0.00 57.50 59.44 1i56 n TRP 65 Cb 0.12 0.26 -0.07 0.00 -0.81 0.00 0.00 31.31 30.82 1i56 n TRP 65 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1i56 s LYS 67 N 0.03 4.32 0.00 0.00 -0.14 -1.22 -3.42 119.74 119.31 1i56 s LYS 67 Ca 0.03 0.44 0.00 0.00 -1.36 0.00 0.00 55.97 55.07 1i56 s LYS 67 Cb -0.04 -3.45 0.00 0.00 -1.68 0.00 0.00 37.83 32.66 1i56 s LYS 67 CO -0.06 0.13 0.00 0.45 -0.76 0.00 0.00 175.35 175.11 1i56 n SER 68 N 3.79 0.00 -1.11 2.83 2.88 -1.26 -1.75 113.62 119.00 1i56 n SER 68 Ca -0.07 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.49 1i56 n SER 68 Cb 0.51 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.13 1i56 n SER 68 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1i56 n ASN 69 N 0.00 2.97 -1.91 -3.46 5.03 -1.26 -4.36 115.26 112.27 1i56 n ASN 69 Ca 0.00 -2.41 -0.17 0.00 0.87 0.00 0.00 54.58 52.87 1i56 n ASN 69 Cb 0.00 -0.58 0.04 0.00 -1.02 0.00 0.00 39.78 38.22 1i56 n ASN 69 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1i56 n SER 70 N 0.21 6.51 -3.37 6.41 3.41 -1.26 -4.84 113.62 120.70 1i56 n SER 70 Ca 0.13 -3.09 -0.16 0.00 -0.26 0.00 0.00 58.87 55.49 1i56 n SER 70 Cb 0.67 -1.06 0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1i56 n SER 70 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1i56 n HIS 71 N 0.31 -2.43 -1.07 7.33 8.25 -1.26 -4.71 115.22 121.63 1i56 n HIS 71 Ca 0.31 0.83 0.13 0.00 -0.26 0.00 0.00 57.72 58.73 1i56 n HIS 71 Cb 0.58 -3.78 -0.07 0.00 1.12 0.00 0.00 29.99 27.84 1i56 n HIS 71 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1i56 n SER 72 N -2.54 -5.90 -2.29 0.41 2.88 -1.26 -5.07 113.62 99.85 1i56 n SER 72 Ca -0.08 1.05 -0.09 0.00 -1.33 0.00 0.00 58.87 58.42 1i56 n SER 72 Cb 0.58 -3.67 -0.01 0.00 -0.75 0.00 0.00 64.21 60.36 1i56 n SER 72 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1i56 n SER 73 N -3.76 -1.03 0.10 -3.46 7.64 -1.26 -4.84 113.62 107.02 1i56 n SER 73 Ca -0.07 -2.21 -0.03 0.00 1.01 0.00 0.00 58.87 57.57 1i56 n SER 73 Cb 0.51 1.86 0.01 0.00 -1.01 0.00 0.00 64.21 65.58 1i56 n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i56 h ALA 74 N 1.87 0.61 -5.27 -0.43 0.00 -0.53 -3.48 119.26 112.03 1i56 h ALA 74 Ca -0.19 -0.71 -0.39 0.00 0.00 0.00 0.00 54.91 53.62 1i56 h ALA 74 Cb 0.79 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1i56 h ALA 74 CO 0.25 0.98 -0.59 -1.71 0.00 0.00 0.00 179.25 178.18 1i56 n ASN 75 N -3.47 -4.41 0.25 0.00 4.05 -1.26 -4.81 115.26 105.60 1i56 n ASN 75 Ca -0.00 -0.40 0.08 0.00 0.45 0.00 0.00 54.58 54.71 1i56 n ASN 75 Cb 0.79 -3.61 0.62 0.00 1.23 0.00 0.00 39.78 38.81 1i56 n ASN 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1i56 h ALA 76 N 0.98 1.96 0.00 5.20 0.00 -1.72 -0.54 119.26 125.14 1i56 h ALA 76 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1i56 h ALA 76 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1i56 h ALA 76 CO 0.55 0.03 -0.44 0.00 0.00 0.00 0.00 179.25 179.39 1i56 n ASN 78 N -1.58 -6.42 -3.63 0.00 5.03 -0.21 -5.03 115.26 103.42 1i56 n ASN 78 Ca 0.05 -0.76 -0.04 0.00 0.87 0.00 0.00 54.58 54.70 1i56 n ASN 78 Cb 0.35 -4.84 -0.06 0.00 -1.02 0.00 0.00 39.78 34.21 1i56 n ASN 78 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1i56 s ILE 79 N -3.39 -0.36 0.71 2.41 1.10 -1.26 -5.08 121.20 115.32 1i56 s ILE 79 Ca 0.45 0.00 -0.15 0.00 -0.51 0.00 0.00 60.65 60.44 1i56 s ILE 79 Cb -0.08 -1.00 0.03 0.00 0.15 0.00 0.00 42.46 41.56 1i56 s ILE 79 CO 0.77 0.00 1.21 -0.04 -2.11 0.00 0.00 174.94 174.77 1i56 s MET 80 N 2.08 2.23 -0.74 3.50 -1.94 -1.26 -3.37 119.30 119.80 1i56 s MET 80 Ca -0.08 1.78 -0.05 0.00 -1.71 0.00 0.00 55.69 55.63 1i56 s MET 80 Cb -0.07 -1.84 0.03 0.00 2.01 0.00 0.00 34.83 34.96 1i56 s MET 80 CO -0.19 -1.77 2.77 0.00 -0.01 0.00 0.00 175.02 175.82 1i56 n SER 82 N 1.49 3.53 -3.05 0.00 7.64 -1.26 -4.75 113.62 117.21 1i56 n SER 82 Ca 0.54 -0.02 -0.35 0.00 1.01 0.00 0.00 58.87 60.05 1i56 n SER 82 Cb 0.48 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1i56 n SER 82 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1i56 n LYS 83 N -2.64 3.65 0.00 1.43 5.02 -1.26 -4.30 118.16 120.06 1i56 n LYS 83 Ca -0.07 -3.22 0.00 0.00 -2.02 0.00 0.00 58.31 53.00 1i56 n LYS 83 Cb 0.57 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 1i56 n LYS 83 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1i56 n PHE 84 N 0.84 0.00 -1.31 2.13 3.72 -1.26 -4.70 117.46 116.87 1i56 n PHE 84 Ca 0.54 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.75 1i56 n PHE 84 Cb 0.36 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.08 1i56 n PHE 84 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1i56 n LEU 85 N -0.94 6.00 0.00 4.37 4.32 -1.26 -3.24 117.00 126.25 1i56 n LEU 85 Ca 0.00 -3.71 -0.19 0.00 -0.02 0.00 0.00 56.01 52.09 1i56 n LEU 85 Cb 0.00 -0.78 0.12 0.00 -1.62 0.00 0.00 43.42 41.14 1i56 n LEU 85 CO 0.00 1.15 0.53 0.47 -1.22 0.00 0.00 177.39 178.33 1i56 n ASP 86 N -1.13 0.38 -1.77 -1.43 8.00 -1.26 -4.59 116.55 114.75 1i56 n ASP 86 Ca 0.52 -1.50 -0.08 0.00 0.71 0.00 0.00 54.79 54.44 1i56 n ASP 86 Cb 1.44 -0.62 0.21 0.00 -0.02 0.00 0.00 41.12 42.13 1i56 n ASP 86 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1i56 n ASP 87 N -3.36 4.02 -4.18 -2.24 8.00 -1.26 -2.90 116.55 114.62 1i56 n ASP 87 Ca 0.12 -2.99 -0.29 0.00 0.71 0.00 0.00 54.79 52.34 1i56 n ASP 87 Cb 0.41 -0.71 -0.16 0.00 -0.02 0.00 0.00 41.12 40.64 1i56 n ASP 87 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1i56 s ASN 88 N -0.67 2.57 -0.87 -2.24 4.22 -1.26 -4.38 114.94 112.32 1i56 s ASN 88 Ca 0.42 -0.44 -0.01 0.00 -2.14 0.00 0.00 52.86 50.69 1i56 s ASN 88 Cb 0.34 -0.86 0.35 0.00 1.28 0.00 0.00 41.25 42.35 1i56 s ASN 88 CO 0.10 0.17 1.89 0.00 -2.04 0.00 0.00 177.10 177.22 1i56 n ILE 89 N 3.24 4.20 -0.06 0.54 3.06 -1.26 -3.87 119.36 125.22 1i56 n ILE 89 Ca -0.19 -4.83 -0.12 0.00 -2.50 0.00 0.00 62.75 55.12 1i56 n ILE 89 Cb 0.52 -1.33 -0.04 0.00 0.54 0.00 0.00 39.64 39.33 1i56 n ILE 89 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1i56 n ASP 90 N -0.40 0.87 0.09 9.51 2.03 -1.26 -4.39 116.55 123.00 1i56 n ASP 90 Ca 0.51 0.13 -0.06 0.00 0.52 0.00 0.00 54.79 55.88 1i56 n ASP 90 Cb 0.27 -0.32 0.04 0.00 -0.72 0.00 0.00 41.12 40.39 1i56 n ASP 90 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1i56 h ASP 91 N -0.38 0.17 -0.07 1.67 2.03 -1.93 -0.77 116.42 117.14 1i56 h ASP 91 Ca -0.28 -0.13 -0.07 0.00 -0.73 0.00 0.00 57.03 55.82 1i56 h ASP 91 Cb 1.25 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 1i56 h ASP 91 CO -0.17 0.88 -0.16 0.44 -1.03 0.00 0.00 179.24 179.21 1i56 h ASP 92 N 0.08 0.41 0.51 4.15 5.19 -1.83 -2.12 116.42 122.81 1i56 h ASP 92 Ca -0.02 -0.11 -0.29 0.00 -0.62 0.00 0.00 57.03 55.98 1i56 h ASP 92 Cb 1.37 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 1i56 h ASP 92 CO 0.11 0.59 -1.53 0.40 -3.12 0.00 0.00 179.24 175.70 1i56 h ILE 93 N 0.39 1.13 -0.24 0.35 1.08 -1.74 -2.59 117.51 115.88 1i56 h ILE 93 Ca 0.07 -2.83 0.00 0.00 -0.39 0.00 0.00 64.86 61.72 1i56 h ILE 93 Cb 0.51 2.68 -0.01 0.00 -3.07 0.00 0.00 36.82 36.93 1i56 h ILE 93 CO 0.03 0.78 0.15 0.00 -0.69 0.00 0.00 178.15 178.42 1i56 h ALA 94 N 0.63 0.31 0.00 1.87 0.00 -0.94 -2.53 119.26 118.60 1i56 h ALA 94 Ca -0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1i56 h ALA 94 Cb 1.98 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 1i56 h ALA 94 CO 0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 179.25 179.06 1i56 h ALA 96 N 1.92 1.33 -0.50 0.00 0.00 -1.03 -1.48 119.26 119.50 1i56 h ALA 96 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1i56 h ALA 96 Cb 1.06 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1i56 h ALA 96 CO 0.01 0.59 0.18 -0.22 0.00 0.00 0.00 179.25 179.81 1i56 h LYS 97 N 1.28 0.72 -0.71 0.00 3.64 -1.59 -2.23 116.57 117.68 1i56 h LYS 97 Ca 0.38 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1i56 h LYS 97 Cb -0.06 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1i56 h LYS 97 CO -0.11 0.60 0.27 -0.09 -2.27 0.00 0.00 179.45 177.85 1i56 h ARG 98 N 0.71 1.07 0.00 1.90 9.65 -1.43 -0.27 114.38 126.01 1i56 h ARG 98 Ca 0.17 -0.19 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 1i56 h ARG 98 Cb 0.17 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1i56 h ARG 98 CO -0.01 0.88 -0.26 0.28 2.80 0.00 0.00 179.97 183.66 1i56 h VAL 99 N 1.04 0.86 0.17 0.20 2.07 -1.07 -1.86 116.25 117.66 1i56 h VAL 99 Ca 0.24 -1.02 -0.34 0.00 0.82 0.00 0.00 66.70 66.40 1i56 h VAL 99 Cb 0.23 1.61 0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1i56 h VAL 99 CO -0.02 0.25 -1.69 0.58 0.02 0.00 0.00 177.57 176.72 1i56 h VAL 100 N 0.00 1.00 0.00 2.57 2.07 -1.06 -2.24 116.25 118.59 1i56 h VAL 100 Ca -0.00 -2.59 -0.01 0.00 0.82 0.00 0.00 66.70 64.92 1i56 h VAL 100 Cb 0.59 2.77 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1i56 h VAL 100 CO 0.03 0.84 -0.06 0.07 0.02 0.00 0.00 177.57 178.48 1i56 h LYS 101 N 0.10 0.00 -7.38 1.57 5.09 -0.99 -3.37 116.57 111.59 1i56 h LYS 101 Ca -0.32 0.00 -0.41 0.00 0.09 0.00 0.00 60.65 60.01 1i56 h LYS 101 Cb 2.09 0.00 0.19 0.00 0.10 0.00 0.00 32.23 34.61 1i56 h LYS 101 CO 0.18 0.06 0.12 -0.51 -2.09 0.00 0.00 179.45 177.21 1i56 s ASP 102 N -6.02 0.77 0.44 7.07 1.01 -0.71 -4.92 116.67 114.32 1i56 s ASP 102 Ca 0.04 0.63 0.19 0.00 0.71 0.00 0.00 52.55 54.12 1i56 s ASP 102 Cb 0.07 -0.87 1.03 0.00 1.01 0.00 0.00 42.92 44.16 1i56 s ASP 102 CO 0.62 -4.21 1.93 1.55 0.21 0.00 0.00 175.17 175.26 1i56 h PRO 103 N -2.64 0.00 0.16 8.23 0.13 -1.88 -3.16 132.00 132.84 1i56 h PRO 103 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1i56 h PRO 103 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1i56 h PRO 103 CO 0.33 0.25 -0.08 -0.91 -0.23 0.00 0.00 178.00 177.36 1i56 h ASN 104 N 0.00 -0.18 0.00 1.44 4.21 -1.91 -3.49 115.58 115.65 1i56 h ASN 104 Ca -0.00 -0.34 0.00 0.00 1.21 0.00 0.00 56.30 57.17 1i56 h ASN 104 Cb 0.53 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 1i56 h ASN 104 CO 0.03 0.30 0.00 0.61 -1.29 0.00 0.00 177.43 177.08 1i56 n GLY 105 N 0.24 0.63 0.11 2.83 0.00 -0.84 -2.96 105.19 105.20 1i56 n GLY 105 Ca -0.08 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.18 1i56 n GLY 105 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1i56 n MET 106 N 6.42 0.14 -0.23 1.61 0.00 -1.26 -2.99 117.12 120.80 1i56 n MET 106 Ca 0.00 0.45 0.09 0.00 0.00 0.00 0.00 57.70 58.24 1i56 n MET 106 Cb 0.00 -1.80 0.36 0.00 0.00 0.00 0.00 33.22 31.78 1i56 n MET 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1i56 h SER 107 N 0.00 0.66 -0.94 3.17 0.87 -1.89 -1.21 113.55 114.21 1i56 h SER 107 Ca 0.00 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1i56 h SER 107 Cb 0.24 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 1i56 h SER 107 CO 0.00 0.39 0.56 0.00 -0.53 0.00 0.00 176.83 177.25 1i56 h ALA 108 N 1.60 1.20 -1.45 6.23 0.00 -1.74 -3.36 119.26 121.74 1i56 h ALA 108 Ca 0.38 -0.11 -0.59 0.00 0.00 0.00 0.00 54.91 54.59 1i56 h ALA 108 Cb 0.50 -0.38 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 1i56 h ALA 108 CO -0.15 0.67 0.99 -1.58 0.00 0.00 0.00 179.25 179.17 1i56 s TRP 109 N -5.95 2.52 0.20 0.00 0.51 -0.46 -4.87 118.94 110.90 1i56 s TRP 109 Ca -0.13 -0.48 -0.10 0.00 -2.12 0.00 0.00 56.10 53.27 1i56 s TRP 109 Cb 0.17 -4.52 0.18 0.00 -0.81 0.00 0.00 33.47 28.50 1i56 s TRP 109 CO 0.83 -1.88 1.84 0.28 -0.51 0.00 0.00 176.95 177.51 1i56 h VAL 110 N 6.15 1.07 -0.15 4.03 2.07 -1.78 -1.18 116.25 126.46 1i56 h VAL 110 Ca -0.14 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1i56 h VAL 110 Cb 1.04 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1i56 h VAL 110 CO 1.27 0.15 0.14 0.00 0.02 0.00 0.00 177.57 179.14 1i56 h ALA 111 N 1.29 1.87 0.07 1.67 0.00 -1.89 0.02 119.26 122.28 1i56 h ALA 111 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1i56 h ALA 111 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1i56 h ALA 111 CO -0.12 -0.21 -0.03 2.35 0.00 0.00 0.00 179.25 181.24 1i56 h TRP 112 N 0.00 -0.08 0.00 0.00 2.91 -1.48 -1.80 115.95 115.49 1i56 h TRP 112 Ca 0.07 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1i56 h TRP 112 Cb 0.35 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1i56 h TRP 112 CO 0.00 0.19 0.00 -0.39 -1.03 0.00 0.00 178.44 177.21 1i56 h VAL 113 N -1.00 0.00 -0.00 2.65 -1.51 -1.31 0.60 116.25 115.68 1i56 h VAL 113 Ca -0.01 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1i56 h VAL 113 Cb 0.31 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1i56 h VAL 113 CO 0.01 0.00 -0.69 0.29 -1.23 0.00 0.00 177.57 175.95 1i56 n LYS 114 N -2.91 1.31 0.00 5.19 5.02 -0.02 -1.92 118.16 124.83 1i56 n LYS 114 Ca -0.00 -0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.02 1i56 n LYS 114 Cb 0.23 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1i56 n LYS 114 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1i56 n HIS 115 N -1.00 0.00 0.04 2.13 -0.00 -0.68 -4.37 115.22 111.35 1i56 n HIS 115 Ca 0.05 -0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.09 1i56 n HIS 115 Cb 0.31 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 1i56 n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i56 h LYS 117 N 0.00 1.17 0.05 0.00 1.63 -1.31 -3.20 116.57 114.92 1i56 h LYS 117 Ca 0.00 -0.07 -0.38 0.00 -0.85 0.00 0.00 60.65 59.35 1i56 h LYS 117 Cb 0.00 -0.26 -0.05 0.00 -0.60 0.00 0.00 32.23 31.32 1i56 h LYS 117 CO 0.00 0.77 -2.29 0.41 -3.45 0.00 0.00 179.45 174.90 1i56 n GLY 118 N -1.35 -0.44 3.49 5.01 0.00 -0.81 -4.78 105.19 106.30 1i56 n GLY 118 Ca 0.12 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1i56 n GLY 118 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i56 s LYS 119 N -2.54 3.21 -1.11 1.61 2.20 -1.21 -4.97 119.74 116.93 1i56 s LYS 119 Ca -0.30 -0.57 -0.21 0.00 -0.36 0.00 0.00 55.97 54.53 1i56 s LYS 119 Cb 0.08 -4.14 0.06 0.00 -1.51 0.00 0.00 37.83 32.32 1i56 s LYS 119 CO 0.67 -1.65 1.54 -0.51 -0.36 0.00 0.00 175.35 175.04 1i56 s ASP 120 N 3.26 6.62 -0.13 1.43 1.01 -1.26 -3.47 116.67 124.13 1i56 s ASP 120 Ca 0.26 -1.79 -0.09 0.00 0.71 0.00 0.00 52.55 51.63 1i56 s ASP 120 Cb -0.15 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 1i56 s ASP 120 CO 0.14 -1.39 0.19 -0.22 0.21 0.00 0.00 175.17 174.10 1i56 s LEU 121 N 4.70 4.35 -0.49 1.23 2.96 -1.26 -5.00 118.68 125.16 1i56 s LEU 121 Ca 0.48 0.48 0.03 0.00 -0.22 0.00 0.00 54.13 54.90 1i56 s LEU 121 Cb 0.01 -2.17 0.55 0.00 0.50 0.00 0.00 46.19 45.09 1i56 s LEU 121 CO -0.04 0.32 1.84 -1.20 -1.32 0.00 0.00 176.35 175.95 1i56 n SER 122 N 2.46 5.05 0.00 3.68 7.64 -1.26 -4.36 113.62 126.82 1i56 n SER 122 Ca -0.18 -3.71 0.00 0.00 1.01 0.00 0.00 58.87 55.99 1i56 n SER 122 Cb 0.54 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1i56 n SER 122 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1i56 n LYS 123 N -1.03 0.45 0.00 1.43 4.81 -1.26 -4.82 118.16 117.73 1i56 n LYS 123 Ca 0.56 -0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1i56 n LYS 123 Cb 1.16 -0.62 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1i56 n LYS 123 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 1i56 n TYR 124 N -0.09 0.00 0.34 5.64 0.18 -1.26 -4.00 117.16 117.97 1i56 n TYR 124 Ca 0.00 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.89 1i56 n TYR 124 Cb 0.38 0.00 0.50 0.00 -0.38 0.00 0.00 39.34 39.84 1i56 n TYR 124 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1i56 n LEU 125 N 0.00 0.61 -0.18 -3.48 7.99 -1.26 -2.99 117.00 117.70 1i56 n LEU 125 Ca 0.00 0.68 -0.08 0.00 -0.01 0.00 0.00 56.01 56.60 1i56 n LEU 125 Cb 0.00 -0.63 0.02 0.00 -0.11 0.00 0.00 43.42 42.69 1i56 n LEU 125 CO 0.00 -0.64 1.01 0.00 -1.51 0.00 0.00 177.39 176.24 1i56 h ALA 126 N 2.21 0.66 -0.46 -1.18 0.00 -1.89 -2.34 119.26 116.25 1i56 h ALA 126 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1i56 h ALA 126 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1i56 h ALA 126 CO 0.00 0.21 0.02 0.45 0.00 0.00 0.00 179.25 179.93 1i56 n SER 127 N -4.61 4.67 -4.31 0.00 2.88 -1.16 -4.93 113.62 106.16 1i56 n SER 127 Ca 0.02 -2.75 -0.28 0.00 -1.33 0.00 0.00 58.87 54.53 1i56 n SER 127 Cb 0.11 -0.65 -0.05 0.00 -0.75 0.00 0.00 64.21 62.86 1i56 n SER 127 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i56 n ASN 129 N -1.30 0.00 -0.18 0.00 6.94 -1.26 -4.99 115.26 114.47 1i56 n ASN 129 Ca -0.17 0.00 0.15 0.00 -0.02 0.00 0.00 54.58 54.54 1i56 n ASN 129 Cb 0.55 0.00 0.79 0.00 -2.36 0.00 0.00 39.78 38.77 1i56 n ASN 129 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41