#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3d s HIS 2 N 0.00 -0.48 -0.21 1.61 5.04 -1.26 -5.14 115.29 114.86 1i3d s HIS 2 Ca 0.00 0.88 -0.13 0.00 -1.54 0.00 0.00 55.06 54.27 1i3d s HIS 2 Cb 0.00 0.28 -0.05 0.00 0.04 0.00 0.00 32.58 32.86 1i3d s HIS 2 CO 0.00 -0.24 0.26 -0.06 -2.34 0.00 0.00 174.74 172.37 1i3d s PHE 3 N 1.84 3.38 0.93 3.88 0.40 -1.26 -5.07 117.98 122.08 1i3d s PHE 3 Ca -0.05 0.45 -0.12 0.00 -0.60 0.00 0.00 56.93 56.60 1i3d s PHE 3 Cb -0.04 -2.36 0.15 0.00 0.51 0.00 0.00 43.02 41.28 1i3d s PHE 3 CO -0.15 0.10 1.11 0.95 0.70 0.00 0.00 175.22 177.93 1i3d s THR 4 N 0.94 2.22 0.33 0.64 -4.23 -1.26 -4.83 115.64 109.45 1i3d s THR 4 Ca 0.13 0.07 0.18 0.00 -1.18 0.00 0.00 61.69 60.90 1i3d s THR 4 Cb -0.13 -2.70 0.16 0.00 1.34 0.00 0.00 72.50 71.16 1i3d s THR 4 CO 0.05 -0.09 1.87 -0.33 -0.54 0.00 0.00 174.62 175.57 1i3d h GLU 5 N -1.61 0.00 0.02 3.99 4.39 -1.99 -1.59 114.58 117.79 1i3d h GLU 5 Ca -0.52 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 58.95 1i3d h GLU 5 Cb 1.32 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.98 1i3d h GLU 5 CO 0.59 0.30 -1.00 0.93 -1.16 0.00 0.00 179.01 178.68 1i3d h GLU 6 N 0.00 0.44 -0.27 2.33 3.07 -1.99 -1.72 114.58 116.44 1i3d h GLU 6 Ca -0.00 -0.50 0.01 0.00 -0.50 0.00 0.00 59.36 58.37 1i3d h GLU 6 Cb 0.64 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 1i3d h GLU 6 CO 0.04 1.15 0.15 -0.44 -1.40 0.00 0.00 179.01 178.51 1i3d h ASP 7 N 0.23 0.24 -0.82 1.42 3.32 -1.79 -0.41 116.42 118.62 1i3d h ASP 7 Ca -0.10 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1i3d h ASP 7 Cb 1.65 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 41.11 1i3d h ASP 7 CO 0.18 0.18 0.42 0.11 -1.72 0.00 0.00 179.24 178.40 1i3d h LYS 8 N 0.31 1.16 -0.46 3.56 1.57 -1.22 0.15 116.57 121.65 1i3d h LYS 8 Ca 0.11 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1i3d h LYS 8 Cb 0.01 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1i3d h LYS 8 CO -0.06 0.88 0.12 0.00 -0.57 0.00 0.00 179.45 179.82 1i3d h ALA 9 N 1.22 0.60 -0.18 3.86 0.00 -0.90 -0.51 119.26 123.35 1i3d h ALA 9 Ca 0.28 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1i3d h ALA 9 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1i3d h ALA 9 CO -0.04 0.28 0.04 1.15 0.00 0.00 0.00 179.25 180.68 1i3d h THR 10 N 0.61 0.93 0.06 0.00 2.02 -0.82 -0.02 112.91 115.68 1i3d h THR 10 Ca 0.14 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1i3d h THR 10 Cb 0.31 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1i3d h THR 10 CO 0.00 0.02 -0.03 0.40 0.37 0.00 0.00 175.52 176.28 1i3d h ILE 11 N 0.12 1.04 -0.54 3.11 2.04 -0.85 -1.01 117.51 121.40 1i3d h ILE 11 Ca 0.08 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 1i3d h ILE 11 Cb 0.07 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1i3d h ILE 11 CO -0.10 0.08 0.08 0.74 0.00 0.00 0.00 178.15 178.95 1i3d h THR 12 N -0.23 1.26 -0.31 -0.27 2.02 -1.03 -1.39 112.91 112.96 1i3d h THR 12 Ca -0.01 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 1i3d h THR 12 Cb 0.20 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1i3d h THR 12 CO 0.01 0.35 0.07 0.77 0.37 0.00 0.00 175.52 177.10 1i3d h SER 13 N 0.79 0.48 -0.43 4.18 4.64 -0.92 -1.95 113.55 120.34 1i3d h SER 13 Ca 0.16 -0.23 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 1i3d h SER 13 Cb 0.43 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1i3d h SER 13 CO 0.01 0.59 -0.19 0.25 -0.87 0.00 0.00 176.83 176.62 1i3d h LEU 14 N 0.35 0.94 -1.69 5.97 5.85 -1.17 -2.65 115.31 122.91 1i3d h LEU 14 Ca 0.10 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1i3d h LEU 14 Cb 0.30 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1i3d h LEU 14 CO 0.00 1.10 -0.15 -0.25 -0.34 0.00 0.00 178.44 178.80 1i3d h TRP 15 N 0.81 0.00 0.00 1.25 2.91 -1.15 -1.61 115.95 118.16 1i3d h TRP 15 Ca 0.11 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.13 1i3d h TRP 15 Cb 0.74 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 1i3d h TRP 15 CO 0.05 0.15 0.00 0.41 -1.03 0.00 0.00 178.44 178.02 1i3d n GLY 16 N -1.10 -0.90 0.85 2.65 0.00 -0.74 -1.27 105.19 104.69 1i3d n GLY 16 Ca -0.03 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1i3d n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i3d n LYS 17 N -1.63 2.00 -3.14 1.61 5.02 -0.61 -4.93 118.16 116.48 1i3d n LYS 17 Ca 0.02 -1.89 -0.39 0.00 -2.02 0.00 0.00 58.31 54.03 1i3d n LYS 17 Cb 0.13 -1.38 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 1i3d n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i3d s VAL 18 N -1.33 5.06 -0.56 -0.18 1.01 -0.40 -5.01 120.40 119.00 1i3d s VAL 18 Ca 0.28 1.29 -0.23 0.00 0.00 0.00 0.00 61.98 63.31 1i3d s VAL 18 Cb 0.17 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.63 1i3d s VAL 18 CO 0.24 0.30 0.90 0.21 0.00 0.00 0.00 175.10 176.74 1i3d s ASN 19 N 0.59 6.30 0.28 3.32 3.84 -1.26 -4.90 114.94 123.11 1i3d s ASN 19 Ca 0.33 -0.53 -0.01 0.00 0.21 0.00 0.00 52.86 52.86 1i3d s ASN 19 Cb -0.17 -2.41 0.40 0.00 -0.55 0.00 0.00 41.25 38.51 1i3d s ASN 19 CO 0.16 -1.21 1.82 0.58 -2.79 0.00 0.00 177.10 175.66 1i3d h VAL 20 N 5.99 1.23 -0.30 -5.21 2.07 -1.94 0.92 116.25 119.00 1i3d h VAL 20 Ca -0.27 -0.82 0.09 0.00 0.82 0.00 0.00 66.70 66.52 1i3d h VAL 20 Cb 1.08 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1i3d h VAL 20 CO 1.08 0.31 0.24 -0.33 0.02 0.00 0.00 177.57 178.89 1i3d h GLU 21 N 0.80 0.00 0.00 1.57 3.07 -1.96 -0.42 114.58 117.64 1i3d h GLU 21 Ca 0.17 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.71 1i3d h GLU 21 Cb 0.30 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 1i3d h GLU 21 CO -0.00 0.00 -1.77 -0.25 -1.40 0.00 0.00 179.01 175.59 1i3d n ASP 22 N -4.19 1.90 0.17 1.42 8.00 -0.84 -4.47 116.55 118.54 1i3d n ASP 22 Ca 0.04 0.39 0.07 0.00 0.71 0.00 0.00 54.79 56.00 1i3d n ASP 22 Cb 0.40 -0.91 0.56 0.00 -0.02 0.00 0.00 41.12 41.16 1i3d n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i3d h ALA 23 N -0.70 1.89 0.67 2.24 0.00 -0.67 -2.74 119.26 119.94 1i3d h ALA 23 Ca -0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1i3d h ALA 23 Cb 1.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1i3d h ALA 23 CO -0.29 0.10 -0.38 0.78 0.00 0.00 0.00 179.25 179.45 1i3d h GLY 24 N 0.21 -1.05 1.85 0.00 0.00 -1.30 0.46 103.07 103.24 1i3d h GLY 24 Ca 0.05 0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.75 1i3d h GLY 24 CO -0.01 -0.37 -0.18 -1.33 0.00 0.00 0.00 176.54 174.65 1i3d h GLY 25 N -0.98 0.20 1.67 4.60 0.00 -1.68 -2.03 103.07 104.86 1i3d h GLY 25 Ca -0.09 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 1i3d h GLY 25 CO 0.10 0.12 -0.31 0.83 0.00 0.00 0.00 176.54 177.28 1i3d h GLU 26 N 0.17 0.38 0.01 4.80 5.08 -1.21 -0.35 114.58 123.46 1i3d h GLU 26 Ca 0.03 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1i3d h GLU 26 Cb 0.42 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1i3d h GLU 26 CO 0.03 0.65 -0.17 1.15 -1.00 0.00 0.00 179.01 179.67 1i3d h THR 27 N 0.33 1.60 -0.61 1.13 2.02 -0.41 -1.49 112.91 115.48 1i3d h THR 27 Ca 0.04 -2.01 -0.09 0.00 0.77 0.00 0.00 66.41 65.13 1i3d h THR 27 Cb 0.71 2.92 -0.02 0.00 -1.74 0.00 0.00 68.15 70.02 1i3d h THR 27 CO 0.05 0.54 0.05 0.25 0.37 0.00 0.00 175.52 176.78 1i3d h LEU 28 N -0.65 1.02 -0.79 2.58 5.85 -1.41 -2.02 115.31 119.89 1i3d h LEU 28 Ca -0.02 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1i3d h LEU 28 Cb 0.98 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1i3d h LEU 28 CO 0.03 1.05 0.31 1.23 -0.34 0.00 0.00 178.44 180.72 1i3d h GLY 29 N 0.95 1.28 1.05 3.75 0.00 -1.11 -1.47 103.07 107.51 1i3d h GLY 29 Ca 0.18 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1i3d h GLY 29 CO 0.02 0.66 0.34 -0.09 0.00 0.00 0.00 176.54 177.48 1i3d h ARG 30 N 1.16 1.20 -0.39 4.80 2.43 -1.04 -0.80 114.38 121.74 1i3d h ARG 30 Ca 0.26 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1i3d h ARG 30 Cb 0.23 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1i3d h ARG 30 CO -0.02 0.96 0.20 1.25 -1.51 0.00 0.00 179.97 180.85 1i3d h LEU 31 N 1.17 0.50 -1.07 3.80 5.85 -1.01 0.47 115.31 125.02 1i3d h LEU 31 Ca 0.27 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1i3d h LEU 31 Cb 0.19 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1i3d h LEU 31 CO -0.03 0.47 0.04 -0.07 -0.34 0.00 0.00 178.44 178.51 1i3d h LEU 32 N 0.50 0.66 0.03 2.25 3.38 -0.81 -1.14 115.31 120.17 1i3d h LEU 32 Ca 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i3d h LEU 32 Cb 0.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1i3d h LEU 32 CO -0.02 0.70 -0.01 0.58 0.09 0.00 0.00 178.44 179.78 1i3d h VAL 33 N 0.66 1.43 -0.29 1.22 2.07 -0.93 -3.27 116.25 117.15 1i3d h VAL 33 Ca 0.14 -1.73 -0.11 0.00 0.82 0.00 0.00 66.70 65.82 1i3d h VAL 33 Cb 0.36 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1i3d h VAL 33 CO 0.01 0.42 -0.27 0.58 0.02 0.00 0.00 177.57 178.33 1i3d h VAL 34 N -0.83 1.27 -2.16 2.57 2.07 -0.87 -3.34 116.25 114.96 1i3d h VAL 34 Ca -0.00 -1.35 -0.59 0.00 0.82 0.00 0.00 66.70 65.58 1i3d h VAL 34 Cb 0.72 1.35 -0.41 0.00 -1.52 0.00 0.00 31.29 31.43 1i3d h VAL 34 CO 0.01 0.43 -0.74 -1.22 0.02 0.00 0.00 177.57 176.07 1i3d n TYR 35 N -4.10 2.45 0.07 1.57 4.01 -0.44 -4.99 117.16 115.74 1i3d n TYR 35 Ca -0.00 -3.98 0.21 0.00 -0.16 0.00 0.00 57.90 53.96 1i3d n TYR 35 Cb 0.43 -0.49 0.70 0.00 -0.31 0.00 0.00 39.34 39.67 1i3d n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1i3d h PRO 36 N 4.17 0.00 0.00 -0.72 0.13 -1.70 -0.84 132.00 133.04 1i3d h PRO 36 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1i3d h PRO 36 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1i3d h PRO 36 CO 0.72 0.00 -0.06 0.11 -0.23 0.00 0.00 178.00 178.55 1i3d h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -1.43 115.95 114.25 1i3d h TRP 37 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.20 1i3d h TRP 37 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.58 1i3d h TRP 37 CO 0.00 0.06 0.00 0.25 0.09 0.00 0.00 178.44 178.84 1i3d n THR 38 N -3.59 0.85 0.32 0.12 -2.24 -0.32 -2.43 114.28 106.99 1i3d n THR 38 Ca -0.02 0.22 0.20 0.00 -2.27 0.00 0.00 64.05 62.17 1i3d n THR 38 Cb 0.17 -1.10 1.07 0.00 -2.10 0.00 0.00 70.33 68.37 1i3d n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1i3d h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.46 -2.48 115.11 114.59 1i3d h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1i3d h GLN 39 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1i3d h GLN 39 CO 0.00 0.01 0.00 0.07 -0.67 0.00 0.00 178.83 178.24 1i3d h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.68 -1.49 114.38 112.78 1i3d h ARG 40 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1i3d h ARG 40 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1i3d h ARG 40 CO 0.00 0.00 -0.12 1.19 0.10 0.00 0.00 179.97 181.14 1i3d n PHE 41 N -2.76 0.42 -1.70 4.08 3.01 -0.93 -4.03 117.46 115.55 1i3d n PHE 41 Ca 0.00 0.12 -0.02 0.00 1.01 0.00 0.00 57.45 58.57 1i3d n PHE 41 Cb 0.21 -0.66 0.16 0.00 -0.01 0.00 0.00 39.48 39.18 1i3d n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1i3d n PHE 42 N -1.86 0.71 -0.01 1.38 3.72 -0.56 -4.82 117.46 116.01 1i3d n PHE 42 Ca 0.06 -1.68 0.18 0.00 -0.05 0.00 0.00 57.45 55.96 1i3d n PHE 42 Cb 0.39 -0.28 0.65 0.00 -0.94 0.00 0.00 39.48 39.29 1i3d n PHE 42 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1i3d h ASP 43 N 1.29 0.07 0.27 4.37 3.32 -1.70 0.04 116.42 124.09 1i3d h ASP 43 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1i3d h ASP 43 Cb 1.15 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1i3d h ASP 43 CO 0.20 0.04 0.00 -1.54 -1.72 0.00 0.00 179.24 176.22 1i3d n SER 44 N -4.40 0.00 -0.22 6.45 3.41 -1.26 -3.24 113.62 114.35 1i3d n SER 44 Ca 0.10 -0.48 0.13 0.00 -0.26 0.00 0.00 58.87 58.35 1i3d n SER 44 Cb 0.55 -0.15 0.66 0.00 -0.26 0.00 0.00 64.21 65.02 1i3d n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1i3d n PHE 45 N -1.15 0.03 -1.94 7.33 3.01 0.00 -5.02 117.46 119.72 1i3d n PHE 45 Ca 0.17 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1i3d n PHE 45 Cb 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 1i3d n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i3d n GLY 46 N 1.02 0.66 3.63 1.37 0.00 -1.20 -4.74 105.19 105.94 1i3d n GLY 46 Ca 0.19 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 1i3d n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i3d s ASN 47 N -4.00 6.64 -0.06 1.61 2.47 -1.26 -4.81 114.94 115.52 1i3d s ASN 47 Ca 0.00 1.39 0.10 0.00 0.42 0.00 0.00 52.86 54.78 1i3d s ASN 47 Cb 0.00 -2.54 0.18 0.00 -1.45 0.00 0.00 41.25 37.44 1i3d s ASN 47 CO 0.00 -1.08 1.09 0.18 -3.72 0.00 0.00 177.10 173.57 1i3d n LEU 48 N 7.68 1.10 0.00 3.21 4.77 -1.26 -4.23 117.00 128.27 1i3d n LEU 48 Ca 0.16 -2.03 0.10 0.00 -0.03 0.00 0.00 56.01 54.21 1i3d n LEU 48 Cb 0.46 -0.18 0.53 0.00 -2.33 0.00 0.00 43.42 41.89 1i3d n LEU 48 CO 0.62 0.52 0.83 -1.54 -1.33 0.00 0.00 177.39 176.50 1i3d n SER 49 N -0.50 0.00 -3.50 -1.43 3.41 -1.26 -4.77 113.62 105.56 1i3d n SER 49 Ca 0.07 -0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.56 1i3d n SER 49 Cb 0.73 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 1i3d n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1i3d s SER 50 N -2.58 -0.46 0.26 4.04 1.04 -1.26 -5.03 113.70 109.71 1i3d s SER 50 Ca 0.20 -0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.55 1i3d s SER 50 Cb 0.14 0.55 0.34 0.00 0.10 0.00 0.00 66.02 67.14 1i3d s SER 50 CO 0.32 -0.89 1.90 0.00 0.98 0.00 0.00 173.24 175.55 1i3d h ALA 51 N 2.25 1.32 -0.49 5.32 0.00 -1.99 0.32 119.26 125.99 1i3d h ALA 51 Ca -0.33 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1i3d h ALA 51 Cb 1.27 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1i3d h ALA 51 CO 0.41 0.51 -0.02 0.66 0.00 0.00 0.00 179.25 180.81 1i3d h SER 52 N 1.22 0.80 -0.61 0.00 4.64 -1.98 -0.73 113.55 116.89 1i3d h SER 52 Ca 0.40 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1i3d h SER 52 Cb 0.04 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1i3d h SER 52 CO -0.13 0.88 0.15 0.00 -0.87 0.00 0.00 176.83 176.85 1i3d h ALA 53 N 1.21 0.81 -0.16 5.18 0.00 -1.74 -1.32 119.26 123.24 1i3d h ALA 53 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1i3d h ALA 53 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1i3d h ALA 53 CO 0.02 0.52 -0.02 0.82 0.00 0.00 0.00 179.25 180.59 1i3d h ILE 54 N 0.90 1.28 0.00 0.00 2.04 -0.61 -0.72 117.51 120.39 1i3d h ILE 54 Ca 0.19 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1i3d h ILE 54 Cb 0.36 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1i3d h ILE 54 CO 0.00 0.28 0.00 0.23 0.00 0.00 0.00 178.15 178.66 1i3d n MET 55 N -4.71 0.03 0.00 2.37 2.81 -0.31 -2.50 117.12 114.82 1i3d n MET 55 Ca -0.05 0.14 0.07 0.00 -1.81 0.00 0.00 57.70 56.04 1i3d n MET 55 Cb 0.25 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.22 1i3d n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1i3d n GLY 56 N 0.62 -0.19 3.65 3.03 0.00 -0.50 -4.99 105.19 106.81 1i3d n GLY 56 Ca 0.06 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1i3d n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i3d s ASN 57 N -2.03 6.68 0.45 1.61 3.84 -0.29 -4.91 114.94 120.29 1i3d s ASN 57 Ca 0.09 1.72 0.13 0.00 0.21 0.00 0.00 52.86 55.01 1i3d s ASN 57 Cb 0.11 -2.54 1.01 0.00 -0.55 0.00 0.00 41.25 39.28 1i3d s ASN 57 CO 0.47 -0.99 2.02 1.55 -2.79 0.00 0.00 177.10 177.36 1i3d h PRO 58 N 9.40 0.11 -0.07 0.43 0.13 -1.90 -2.28 132.00 137.82 1i3d h PRO 58 Ca -0.31 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.60 1i3d h PRO 58 Cb 1.13 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1i3d h PRO 58 CO 0.99 0.20 -0.78 0.87 -0.23 0.00 0.00 178.00 179.04 1i3d h LYS 59 N 0.10 0.46 -0.53 0.86 1.57 -1.91 -1.67 116.57 115.46 1i3d h LYS 59 Ca 0.02 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1i3d h LYS 59 Cb 0.22 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1i3d h LYS 59 CO 0.01 1.04 0.21 0.28 -0.57 0.00 0.00 179.45 180.42 1i3d h VAL 60 N 0.30 1.22 -0.46 0.50 2.07 -1.77 -0.25 116.25 117.85 1i3d h VAL 60 Ca -0.04 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1i3d h VAL 60 Cb 1.38 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1i3d h VAL 60 CO 0.14 0.26 -0.03 0.50 0.02 0.00 0.00 177.57 178.46 1i3d h LYS 61 N 0.72 0.84 -0.44 1.57 3.64 -1.37 0.77 116.57 122.30 1i3d h LYS 61 Ca 0.18 -0.28 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 1i3d h LYS 61 Cb 0.20 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1i3d h LYS 61 CO -0.01 0.91 -0.17 0.00 -2.27 0.00 0.00 179.45 177.90 1i3d h ALA 62 N 0.91 0.88 -0.22 5.00 0.00 -1.20 -2.52 119.26 122.11 1i3d h ALA 62 Ca 0.13 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1i3d h ALA 62 Cb 0.55 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1i3d h ALA 62 CO 0.03 0.63 -0.19 1.25 0.00 0.00 0.00 179.25 180.97 1i3d h HIS 63 N 0.74 0.61 -0.82 0.00 -0.00 -0.87 -2.85 115.15 111.96 1i3d h HIS 63 Ca 0.11 -0.18 0.10 0.00 -0.00 0.00 0.00 60.37 60.41 1i3d h HIS 63 Cb 0.68 -0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 27.90 1i3d h HIS 63 CO 0.04 0.85 0.53 0.78 -0.00 0.00 0.00 177.93 180.13 1i3d h GLY 64 N 0.20 1.08 1.17 5.26 0.00 -0.81 -0.20 103.07 109.77 1i3d h GLY 64 Ca 0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1i3d h GLY 64 CO 0.05 0.16 0.27 1.70 0.00 0.00 0.00 176.54 178.72 1i3d h LYS 65 N 0.73 1.05 -0.21 4.80 3.64 -1.23 -0.90 116.57 124.46 1i3d h LYS 65 Ca 0.38 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1i3d h LYS 65 Cb 0.49 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1i3d h LYS 65 CO -0.15 0.86 0.13 0.87 -2.27 0.00 0.00 179.45 178.89 1i3d h LYS 66 N 1.02 0.28 -0.05 1.90 1.57 -0.89 0.17 116.57 120.57 1i3d h LYS 66 Ca 0.24 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1i3d h LYS 66 Cb 0.21 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1i3d h LYS 66 CO -0.02 0.21 -0.22 0.28 -0.57 0.00 0.00 179.45 179.13 1i3d h VAL 67 N 0.26 0.48 0.00 0.50 2.07 -0.75 -0.27 116.25 118.54 1i3d h VAL 67 Ca 0.07 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1i3d h VAL 67 Cb 0.00 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1i3d h VAL 67 CO -0.01 0.00 -0.30 -0.07 0.02 0.00 0.00 177.57 177.21 1i3d h LEU 68 N -0.32 0.00 -0.55 2.57 4.07 -0.99 -1.34 115.31 118.75 1i3d h LEU 68 Ca 0.08 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.87 1i3d h LEU 68 Cb 0.43 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1i3d h LEU 68 CO -0.23 0.30 -0.69 0.74 -1.08 0.00 0.00 178.44 177.48 1i3d h THR 69 N 0.00 1.42 -0.46 0.22 2.02 -0.46 0.35 112.91 116.00 1i3d h THR 69 Ca -0.00 -2.18 -0.07 0.00 0.77 0.00 0.00 66.41 64.92 1i3d h THR 69 Cb 0.81 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 1i3d h THR 69 CO 0.04 0.64 0.00 -1.28 0.37 0.00 0.00 175.52 175.29 1i3d h SER 70 N 0.15 0.79 0.14 4.18 0.87 -0.53 -1.98 113.55 117.17 1i3d h SER 70 Ca -0.02 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.14 1i3d h SER 70 Cb 1.23 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1i3d h SER 70 CO 0.10 0.90 -0.33 0.25 -0.53 0.00 0.00 176.83 177.23 1i3d h LEU 71 N 0.66 0.29 -0.64 2.23 5.85 -0.96 -1.41 115.31 121.34 1i3d h LEU 71 Ca 0.13 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1i3d h LEU 71 Cb 0.49 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1i3d h LEU 71 CO 0.02 0.62 0.20 1.23 -0.34 0.00 0.00 178.44 180.16 1i3d h GLY 72 N 1.10 1.07 1.18 3.75 0.00 -0.42 -1.40 103.07 108.34 1i3d h GLY 72 Ca 0.03 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 1i3d h GLY 72 CO 0.05 0.59 -0.01 -1.80 0.00 0.00 0.00 176.54 175.37 1i3d h ASP 73 N 0.92 0.96 0.07 0.19 3.58 -1.07 -2.78 116.42 118.29 1i3d h ASP 73 Ca 0.20 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1i3d h ASP 73 Cb 0.30 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 1i3d h ASP 73 CO -0.01 1.03 -0.07 0.00 -2.88 0.00 0.00 179.24 177.31 1i3d h ALA 74 N 1.07 1.87 0.00 -0.78 0.00 -0.43 -0.56 119.26 120.43 1i3d h ALA 74 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1i3d h ALA 74 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1i3d h ALA 74 CO 0.03 0.10 0.00 -0.89 0.00 0.00 0.00 179.25 178.49 1i3d n ILE 75 N -4.45 0.95 1.66 0.00 5.41 -0.61 -0.66 119.36 121.67 1i3d n ILE 75 Ca -0.03 0.28 0.13 0.00 1.00 0.00 0.00 62.75 64.13 1i3d n ILE 75 Cb 0.15 -1.15 0.62 0.00 -0.71 0.00 0.00 39.64 38.55 1i3d n ILE 75 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1i3d n LYS 76 N -1.95 1.39 -2.55 0.38 5.02 -0.22 -3.83 118.16 116.41 1i3d n LYS 76 Ca 0.02 -0.58 -0.04 0.00 -2.02 0.00 0.00 58.31 55.70 1i3d n LYS 76 Cb 0.19 -1.44 0.05 0.00 -0.02 0.00 0.00 35.03 33.80 1i3d n LYS 76 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1i3d n HIS 77 N -0.27 1.40 0.29 2.13 8.25 0.17 -4.94 115.22 122.24 1i3d n HIS 77 Ca 0.19 -2.01 0.18 0.00 -0.26 0.00 0.00 57.72 55.82 1i3d n HIS 77 Cb 0.24 -0.24 0.97 0.00 1.12 0.00 0.00 29.99 32.08 1i3d n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1i3d h LEU 78 N 2.38 0.00 -3.51 2.41 3.38 -1.65 0.73 115.31 119.05 1i3d h LEU 78 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1i3d h LEU 78 Cb 1.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 1i3d h LEU 78 CO 0.27 0.00 0.09 0.47 0.09 0.00 0.00 178.44 179.36 1i3d n ASP 79 N -3.40 4.46 -2.85 -0.43 8.00 -1.26 -4.26 116.55 116.80 1i3d n ASP 79 Ca -0.01 -3.16 -0.12 0.00 0.71 0.00 0.00 54.79 52.21 1i3d n ASP 79 Cb 0.22 -0.66 0.04 0.00 -0.02 0.00 0.00 41.12 40.70 1i3d n ASP 79 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1i3d n ASP 80 N -0.23 -0.11 0.08 -2.24 4.64 0.23 -4.96 116.55 113.97 1i3d n ASP 80 Ca 0.31 -2.96 -0.06 0.00 -1.38 0.00 0.00 54.79 50.70 1i3d n ASP 80 Cb 1.15 0.20 0.09 0.00 -1.04 0.00 0.00 41.12 41.53 1i3d n ASP 80 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1i3d h LEU 81 N 2.82 0.29 -0.81 -2.67 3.38 -1.69 -1.98 115.31 114.65 1i3d h LEU 81 Ca -0.07 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1i3d h LEU 81 Cb 1.12 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1i3d h LEU 81 CO 0.33 0.86 0.32 0.50 0.09 0.00 0.00 178.44 180.53 1i3d h LYS 82 N 0.18 1.20 -0.43 1.13 3.64 -1.90 -0.20 116.57 120.19 1i3d h LYS 82 Ca -0.01 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.04 1i3d h LYS 82 Cb 1.18 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1i3d h LYS 82 CO 0.10 0.97 -0.17 0.78 -2.27 0.00 0.00 179.45 178.86 1i3d h GLY 83 N 1.17 0.89 1.43 5.01 0.00 -1.95 -2.30 103.07 107.33 1i3d h GLY 83 Ca 0.27 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1i3d h GLY 83 CO -0.02 0.67 0.18 -0.84 0.00 0.00 0.00 176.54 176.53 1i3d h THR 84 N 0.73 1.19 -0.49 4.70 2.02 -0.72 -3.01 112.91 117.34 1i3d h THR 84 Ca 0.11 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1i3d h THR 84 Cb 0.69 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1i3d h THR 84 CO 0.05 0.24 0.00 0.49 0.37 0.00 0.00 175.52 176.67 1i3d n PHE 85 N -4.34 0.63 -0.21 3.16 3.72 -0.14 -4.64 117.46 115.65 1i3d n PHE 85 Ca 0.04 -0.33 0.02 0.00 -0.05 0.00 0.00 57.45 57.12 1i3d n PHE 85 Cb 0.17 -0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.82 1i3d n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i3d h ALA 86 N 4.27 0.72 -0.65 4.37 0.00 -1.27 0.12 119.26 126.82 1i3d h ALA 86 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1i3d h ALA 86 Cb 0.97 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1i3d h ALA 86 CO 0.00 -0.34 0.13 0.37 0.00 0.00 0.00 179.25 179.41 1i3d h GLN 87 N 0.22 1.04 0.00 0.00 4.15 -1.83 -1.58 115.11 117.10 1i3d h GLN 87 Ca 0.33 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1i3d h GLN 87 Cb 0.53 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1i3d h GLN 87 CO -0.46 0.94 0.00 -0.07 -1.93 0.00 0.00 178.83 177.31 1i3d h LEU 88 N 0.98 0.00 -0.16 -2.39 3.38 -1.64 -1.39 115.31 114.09 1i3d h LEU 88 Ca 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1i3d h LEU 88 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1i3d h LEU 88 CO 0.01 0.00 -0.26 -1.28 0.09 0.00 0.00 178.44 176.99 1i3d h SER 89 N 0.00 0.51 -0.98 -0.43 0.87 -0.19 0.46 113.55 113.80 1i3d h SER 89 Ca 0.00 -0.53 0.03 0.00 -1.23 0.00 0.00 61.79 60.06 1i3d h SER 89 Cb 0.86 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.62 1i3d h SER 89 CO 0.00 0.95 0.64 -0.33 -0.53 0.00 0.00 176.83 177.56 1i3d h GLU 90 N 0.10 1.22 0.12 2.24 5.08 -1.05 0.14 114.58 122.43 1i3d h GLU 90 Ca 0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1i3d h GLU 90 Cb 0.84 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1i3d h GLU 90 CO 0.06 0.81 -0.06 1.25 -1.00 0.00 0.00 179.01 180.07 1i3d h LEU 91 N 1.25 -0.14 -0.64 1.33 5.85 -1.02 -1.28 115.31 120.67 1i3d h LEU 91 Ca 0.38 -0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.81 1i3d h LEU 91 Cb -0.03 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1i3d h LEU 91 CO -0.12 0.07 -0.63 0.45 -0.34 0.00 0.00 178.44 177.87 1i3d h HIS 92 N -0.34 0.25 0.00 1.25 3.86 -0.83 -1.67 115.15 117.66 1i3d h HIS 92 Ca -0.02 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 1i3d h HIS 92 Cb 0.28 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1i3d h HIS 92 CO -0.01 0.77 -0.60 0.00 0.86 0.00 0.00 177.93 178.94 1i3d h ASP 94 N -1.00 0.77 0.02 0.00 3.32 -1.36 -3.10 116.42 115.08 1i3d h ASP 94 Ca -0.05 -0.53 -0.36 0.00 0.02 0.00 0.00 57.03 56.10 1i3d h ASP 94 Cb 0.61 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1i3d h ASP 94 CO -0.03 1.31 -2.05 1.17 -1.72 0.00 0.00 179.24 177.92 1i3d n LYS 95 N -3.88 0.62 0.00 3.56 4.81 -1.07 -4.63 118.16 117.58 1i3d n LYS 95 Ca -0.07 0.34 0.11 0.00 -0.87 0.00 0.00 58.31 57.83 1i3d n LYS 95 Cb 0.76 -1.61 0.14 0.00 0.02 0.00 0.00 35.03 34.34 1i3d n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1i3d n LEU 96 N -4.00 0.63 -3.80 3.14 4.77 -0.64 -4.97 117.00 112.13 1i3d n LEU 96 Ca -0.42 -0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 55.19 1i3d n LEU 96 Cb 0.87 -0.18 0.04 0.00 -2.33 0.00 0.00 43.42 41.82 1i3d n LEU 96 CO 0.19 0.14 0.08 1.41 -1.33 0.00 0.00 177.39 177.87 1i3d n HIS 97 N -1.56 -2.26 -2.28 -1.77 8.25 -0.89 -4.95 115.22 109.76 1i3d n HIS 97 Ca 0.05 0.90 -0.41 0.00 -0.26 0.00 0.00 57.72 58.00 1i3d n HIS 97 Cb 0.35 -4.28 -0.03 0.00 1.12 0.00 0.00 29.99 27.15 1i3d n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1i3d s VAL 98 N -3.41 3.37 -0.00 1.59 1.01 -0.37 -4.97 120.40 117.61 1i3d s VAL 98 Ca 0.44 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 1i3d s VAL 98 Cb -0.21 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 1i3d s VAL 98 CO 0.81 0.17 1.71 -0.62 0.00 0.00 0.00 175.10 177.17 1i3d s ASP 99 N 0.32 6.61 0.56 3.32 3.68 -1.26 -4.82 116.67 125.08 1i3d s ASP 99 Ca 0.56 2.39 0.29 0.00 2.13 0.00 0.00 52.55 57.91 1i3d s ASP 99 Cb -0.35 -2.54 1.47 0.00 -1.45 0.00 0.00 42.92 40.05 1i3d s ASP 99 CO 0.37 -0.94 1.93 -0.65 0.13 0.00 0.00 175.17 176.02 1i3d h PRO 100 N 9.41 0.00 -0.09 4.34 0.11 -1.98 0.38 132.00 144.18 1i3d h PRO 100 Ca -0.42 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1i3d h PRO 100 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1i3d h PRO 100 CO 0.94 0.00 -0.19 1.49 -0.21 0.00 0.00 178.00 180.03 1i3d h GLU 101 N 0.00 0.14 0.00 1.05 4.57 -1.99 -2.16 114.58 116.19 1i3d h GLU 101 Ca 0.28 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 1i3d h GLU 101 Cb 1.24 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1i3d h GLU 101 CO -0.00 0.34 -0.16 -0.91 -1.18 0.00 0.00 179.01 177.09 1i3d h ASN 102 N 0.13 0.00 -0.09 1.04 2.35 -0.60 -2.34 115.58 116.08 1i3d h ASN 102 Ca 0.03 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1i3d h ASN 102 Cb 0.42 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1i3d h ASN 102 CO 0.03 0.16 -0.26 -0.26 -1.65 0.00 0.00 177.43 175.45 1i3d h PHE 103 N 0.00 0.60 -0.23 1.19 0.04 -1.48 -0.96 116.94 116.09 1i3d h PHE 103 Ca -0.00 -0.13 -0.18 0.00 2.80 0.00 0.00 57.97 60.46 1i3d h PHE 103 Cb 0.69 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1i3d h PHE 103 CO 0.00 0.75 -0.54 -0.22 -0.60 0.00 0.00 178.31 177.69 1i3d h LYS 104 N 0.46 0.78 -0.37 1.51 3.64 -1.54 -2.19 116.57 118.86 1i3d h LYS 104 Ca 0.07 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1i3d h LYS 104 Cb 0.70 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1i3d h LYS 104 CO 0.05 1.15 0.24 1.25 -2.27 0.00 0.00 179.45 179.88 1i3d h LEU 105 N 0.52 0.42 -0.72 5.20 5.85 -1.06 0.16 115.31 125.68 1i3d h LEU 105 Ca -0.00 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1i3d h LEU 105 Cb 1.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1i3d h LEU 105 CO 0.12 0.31 -0.29 0.25 -0.34 0.00 0.00 178.44 178.48 1i3d h LEU 106 N 0.50 0.68 -0.89 2.25 5.85 -1.13 -1.06 115.31 121.50 1i3d h LEU 106 Ca 0.14 -0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 1i3d h LEU 106 Cb -0.05 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1i3d h LEU 106 CO -0.03 0.93 -0.41 1.23 -0.34 0.00 0.00 178.44 179.82 1i3d h GLY 107 N 1.00 0.33 2.00 3.75 0.00 -0.80 -0.20 103.07 109.14 1i3d h GLY 107 Ca 0.07 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1i3d h GLY 107 CO 0.06 0.29 -0.23 3.43 0.00 0.00 0.00 176.54 180.09 1i3d h ASN 108 N 0.25 0.00 0.64 0.19 2.35 -0.71 -1.40 115.58 116.91 1i3d h ASN 108 Ca 0.02 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.56 1i3d h ASN 108 Cb 0.83 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1i3d h ASN 108 CO 0.07 0.23 -0.97 0.58 -1.65 0.00 0.00 177.43 175.69 1i3d h VAL 109 N 0.00 1.52 -0.47 2.81 2.07 -0.20 -2.67 116.25 119.32 1i3d h VAL 109 Ca -0.00 -2.82 -0.09 0.00 0.82 0.00 0.00 66.70 64.60 1i3d h VAL 109 Cb 0.62 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1i3d h VAL 109 CO 0.03 0.82 -0.08 0.25 0.02 0.00 0.00 177.57 178.61 1i3d h LEU 110 N 0.09 0.83 -0.83 2.57 5.85 -0.49 -0.69 115.31 122.64 1i3d h LEU 110 Ca -0.06 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.44 1i3d h LEU 110 Cb 1.64 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 1i3d h LEU 110 CO 0.15 0.94 0.54 0.58 -0.34 0.00 0.00 178.44 180.31 1i3d h VAL 111 N 0.77 1.15 -0.55 1.05 2.07 -1.17 -0.53 116.25 119.04 1i3d h VAL 111 Ca 0.13 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1i3d h VAL 111 Cb 0.58 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1i3d h VAL 111 CO 0.04 0.19 0.23 0.74 0.02 0.00 0.00 177.57 178.79 1i3d h THR 112 N 1.06 1.22 -0.63 2.57 2.02 -1.01 -0.92 112.91 117.21 1i3d h THR 112 Ca 0.32 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 1i3d h THR 112 Cb -0.02 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 1i3d h THR 112 CO -0.10 0.26 0.17 0.58 0.37 0.00 0.00 175.52 176.80 1i3d h VAL 113 N 0.75 1.24 -0.62 3.16 2.07 -0.55 -0.37 116.25 121.93 1i3d h VAL 113 Ca 0.19 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 1i3d h VAL 113 Cb 0.18 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1i3d h VAL 113 CO -0.02 0.33 0.05 -0.07 0.02 0.00 0.00 177.57 177.88 1i3d h LEU 114 N 0.94 1.03 -0.70 2.57 3.38 -0.76 0.06 115.31 121.82 1i3d h LEU 114 Ca 0.20 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1i3d h LEU 114 Cb 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1i3d h LEU 114 CO -0.00 1.06 0.34 0.00 0.09 0.00 0.00 178.44 179.92 1i3d h ALA 115 N 1.01 0.90 -0.25 1.53 0.00 -0.81 0.56 119.26 122.20 1i3d h ALA 115 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1i3d h ALA 115 Cb 0.50 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1i3d h ALA 115 CO 0.02 0.46 0.07 0.82 0.00 0.00 0.00 179.25 180.62 1i3d h ILE 116 N 0.97 1.21 -0.06 0.00 2.04 -0.70 0.70 117.51 121.67 1i3d h ILE 116 Ca 0.24 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 65.30 1i3d h ILE 116 Cb 0.11 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1i3d h ILE 116 CO -0.03 0.22 -0.57 -0.74 0.00 0.00 0.00 178.15 177.03 1i3d h HIS 117 N 0.23 0.22 0.00 1.37 2.76 -0.71 -3.34 115.15 115.69 1i3d h HIS 117 Ca 0.08 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1i3d h HIS 117 Cb 0.27 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1i3d h HIS 117 CO 0.01 0.70 -0.71 1.19 -1.30 0.00 0.00 177.93 177.82 1i3d n PHE 118 N -3.89 0.00 -1.30 5.26 3.72 0.16 -5.06 117.46 116.35 1i3d n PHE 118 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1i3d n PHE 118 Cb 0.59 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1i3d n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1i3d n GLY 119 N 1.35 2.91 0.47 1.37 0.00 0.23 -2.00 105.19 109.52 1i3d n GLY 119 Ca 0.02 -0.17 0.29 0.00 0.00 0.00 0.00 46.02 46.16 1i3d n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1i3d h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.97 0.60 116.57 120.45 1i3d h LYS 120 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1i3d h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1i3d h LYS 120 CO 0.00 0.00 -0.01 1.49 -2.27 0.00 0.00 179.45 178.66 1i3d h GLU 121 N 0.00 0.00 -4.12 1.90 4.81 -1.80 -3.26 114.58 112.11 1i3d h GLU 121 Ca 0.43 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.92 1i3d h GLU 121 Cb 1.77 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 31.01 1i3d h GLU 121 CO -0.00 0.01 1.99 0.34 -0.73 0.00 0.00 179.01 180.62 1i3d n PHE 122 N -3.28 3.74 -1.15 0.92 7.35 0.20 -4.90 117.46 120.34 1i3d n PHE 122 Ca -0.02 -2.98 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 1i3d n PHE 122 Cb 0.12 -2.15 0.20 0.00 0.35 0.00 0.00 39.48 38.00 1i3d n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1i3d s THR 123 N 1.40 1.85 0.24 -2.13 -4.23 -1.23 -4.67 115.64 106.87 1i3d s THR 123 Ca 0.43 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.87 1i3d s THR 123 Cb 0.06 -2.50 0.23 0.00 1.34 0.00 0.00 72.50 71.63 1i3d s THR 123 CO -0.00 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 175.31 1i3d h PRO 124 N -2.17 1.28 -0.26 3.99 0.11 -1.93 0.13 132.00 133.15 1i3d h PRO 124 Ca -0.51 -0.12 -0.13 0.00 0.11 0.00 0.00 66.00 65.34 1i3d h PRO 124 Cb 1.32 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1i3d h PRO 124 CO 0.49 0.90 -0.39 0.93 -0.21 0.00 0.00 178.00 179.72 1i3d h GLU 125 N 1.30 0.60 -0.61 1.05 5.08 -1.98 -0.53 114.58 119.48 1i3d h GLU 125 Ca 0.34 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1i3d h GLU 125 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1i3d h GLU 125 CO -0.06 0.90 0.04 0.28 -1.00 0.00 0.00 179.01 179.17 1i3d h VAL 126 N 0.50 1.26 -0.55 3.13 2.07 -1.72 -2.47 116.25 118.46 1i3d h VAL 126 Ca 0.04 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1i3d h VAL 126 Cb 0.90 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1i3d h VAL 126 CO 0.08 0.40 0.23 -0.61 0.02 0.00 0.00 177.57 177.69 1i3d h GLN 127 N 0.96 0.82 -0.94 1.57 4.15 -0.49 -2.03 115.11 119.14 1i3d h GLN 127 Ca 0.18 -0.14 0.07 0.00 0.77 0.00 0.00 58.65 59.53 1i3d h GLN 127 Cb 0.51 -0.14 -0.07 0.00 0.21 0.00 0.00 27.48 27.99 1i3d h GLN 127 CO 0.02 0.70 0.60 0.00 -1.93 0.00 0.00 178.83 178.22 1i3d h ALA 128 N 1.08 1.32 -0.29 3.38 0.00 -0.74 0.30 119.26 124.30 1i3d h ALA 128 Ca 0.19 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1i3d h ALA 128 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1i3d h ALA 128 CO -0.02 0.35 -0.27 0.77 0.00 0.00 0.00 179.25 180.08 1i3d h SER 129 N 1.07 0.59 1.40 0.00 0.02 -1.00 -2.09 113.55 113.54 1i3d h SER 129 Ca 0.42 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1i3d h SER 129 Cb 0.21 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1i3d h SER 129 CO -0.19 0.84 -0.40 -0.50 -1.14 0.00 0.00 176.83 175.45 1i3d h TRP 130 N 0.51 0.00 -0.22 3.45 4.06 -0.55 -2.30 115.95 120.89 1i3d h TRP 130 Ca 0.07 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.86 1i3d h TRP 130 Cb 0.73 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.89 1i3d h TRP 130 CO 0.03 0.40 -0.52 0.37 -3.56 0.00 0.00 178.44 175.16 1i3d h GLN 131 N 0.00 0.61 -0.18 0.49 5.75 -0.09 0.12 115.11 121.81 1i3d h GLN 131 Ca -0.00 -0.37 -0.14 0.00 -0.15 0.00 0.00 58.65 57.98 1i3d h GLN 131 Cb 1.21 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 1i3d h GLN 131 CO 0.05 0.98 -0.49 -0.22 -2.65 0.00 0.00 178.83 176.50 1i3d h LYS 132 N 0.48 0.49 -0.16 1.69 3.64 -1.19 -2.12 116.57 119.40 1i3d h LYS 132 Ca 0.02 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.08 1i3d h LYS 132 Cb 1.07 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1i3d h LYS 132 CO 0.10 0.87 -0.04 1.98 -2.27 0.00 0.00 179.45 180.10 1i3d h MET 133 N 0.39 0.30 -0.92 1.90 4.05 -0.82 -0.97 114.93 118.86 1i3d h MET 133 Ca 0.02 -0.12 0.09 0.00 -0.28 0.00 0.00 59.70 59.41 1i3d h MET 133 Cb 1.00 -0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.71 1i3d h MET 133 CO 0.09 0.58 0.57 0.28 0.23 0.00 0.00 176.91 178.66 1i3d h VAL 134 N 0.00 0.98 -0.67 -5.77 2.07 -0.86 0.48 116.25 112.49 1i3d h VAL 134 Ca 0.04 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1i3d h VAL 134 Cb 0.47 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1i3d h VAL 134 CO 0.02 0.18 0.15 0.74 0.02 0.00 0.00 177.57 178.67 1i3d h THR 135 N 0.97 1.26 -0.38 2.57 2.02 -1.22 -0.04 112.91 118.09 1i3d h THR 135 Ca 0.43 -0.96 -0.15 0.00 0.77 0.00 0.00 66.41 66.50 1i3d h THR 135 Cb 0.32 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1i3d h THR 135 CO -0.22 0.36 -0.36 0.00 0.37 0.00 0.00 175.52 175.68 1i3d h ALA 136 N 1.15 0.55 -0.37 6.16 0.00 -0.44 -0.91 119.26 125.40 1i3d h ALA 136 Ca 0.21 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1i3d h ALA 136 Cb 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1i3d h ALA 136 CO 0.00 0.64 0.01 0.28 0.00 0.00 0.00 179.25 180.18 1i3d h VAL 137 N 0.73 1.26 -0.33 0.00 2.07 -0.70 -1.37 116.25 117.90 1i3d h VAL 137 Ca 0.06 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.65 1i3d h VAL 137 Cb 0.95 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1i3d h VAL 137 CO 0.09 0.32 0.15 0.00 0.02 0.00 0.00 177.57 178.15 1i3d h ALA 138 N 0.88 0.40 -0.60 1.67 0.00 -0.85 -0.64 119.26 120.12 1i3d h ALA 138 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1i3d h ALA 138 Cb 0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1i3d h ALA 138 CO 0.02 -0.24 0.35 1.03 0.00 0.00 0.00 179.25 180.41 1i3d h SER 139 N 0.31 0.73 -0.63 0.00 0.87 -1.05 -0.96 113.55 112.81 1i3d h SER 139 Ca 0.14 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 1i3d h SER 139 Cb 0.08 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1i3d h SER 139 CO -0.12 0.59 0.13 0.00 -0.53 0.00 0.00 176.83 176.90 1i3d h ALA 140 N 1.17 0.99 -0.02 6.23 0.00 -0.91 -2.67 119.26 124.05 1i3d h ALA 140 Ca 0.21 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1i3d h ALA 140 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1i3d h ALA 140 CO -0.04 0.64 -0.72 -0.07 0.00 0.00 0.00 179.25 179.06 1i3d h LEU 141 N 1.00 0.15 -1.34 0.00 3.38 -0.91 -2.98 115.31 114.61 1i3d h LEU 141 Ca 0.20 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1i3d h LEU 141 Cb 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1i3d h LEU 141 CO 0.01 0.82 0.00 -1.54 0.09 0.00 0.00 178.44 177.82 1i3d n SER 142 N -3.74 1.95 -0.19 -0.43 3.41 -0.38 -4.41 113.62 109.82 1i3d n SER 142 Ca -0.02 -2.00 0.07 0.00 -0.26 0.00 0.00 58.87 56.66 1i3d n SER 142 Cb 0.70 -0.24 0.36 0.00 -0.26 0.00 0.00 64.21 64.77 1i3d n SER 142 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1i3d h SER 143 N 2.13 0.65 0.22 4.04 0.87 -1.31 -0.96 113.55 119.19 1i3d h SER 143 Ca 0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1i3d h SER 143 Cb 0.49 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1i3d h SER 143 CO 0.00 0.41 -0.02 0.03 -0.53 0.00 0.00 176.83 176.73 1i3d h ARG 144 N 0.74 0.00 0.00 2.24 2.47 -1.84 0.15 114.38 118.14 1i3d h ARG 144 Ca 0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1i3d h ARG 144 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1i3d h ARG 144 CO -0.11 0.02 -0.28 1.88 0.56 0.00 0.00 179.97 182.03 1i3d h TYR 145 N 0.00 0.00 -0.01 3.04 0.05 -1.50 -3.48 116.97 115.06 1i3d h TYR 145 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1i3d h TYR 145 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 1i3d h TYR 145 CO 0.00 0.00 0.00 0.72 -1.05 0.00 0.00 178.16 177.83