#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmc n THR 3 N 0.00 0.00 -3.60 2.61 5.66 -1.26 -4.82 114.28 112.87 3dmc n THR 3 Ca 0.00 -0.51 -0.04 0.00 -3.05 0.00 0.00 64.05 60.45 3dmc n THR 3 Cb 0.00 0.71 -0.02 0.00 -1.55 0.00 0.00 70.33 69.47 3dmc n THR 3 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 3dmc s HIS 4 N -2.36 -0.11 0.22 1.09 5.65 -1.26 -5.01 115.29 113.50 3dmc s HIS 4 Ca 0.22 0.07 0.34 0.00 0.25 0.00 0.00 55.06 55.93 3dmc s HIS 4 Cb -0.03 0.51 1.79 0.00 -1.18 0.00 0.00 32.58 33.67 3dmc s HIS 4 CO 0.05 -0.18 2.03 0.10 -0.65 0.00 0.00 174.74 176.08 3dmc h TYR 5 N 2.00 0.00 -0.02 3.88 -0.00 -2.07 0.09 116.97 120.85 3dmc h TYR 5 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.65 3dmc h TYR 5 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.89 3dmc h TYR 5 CO 0.29 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.32 3dmc n SER 6 N -2.70 0.53 -4.57 0.10 3.41 -1.26 -4.69 113.62 104.45 3dmc n SER 6 Ca -0.02 -1.24 -0.33 0.00 -0.26 0.00 0.00 58.87 57.02 3dmc n SER 6 Cb 0.08 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 3dmc n SER 6 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dmc s ASP 7 N -1.92 5.70 0.24 4.04 -1.08 0.02 -4.77 116.67 118.89 3dmc s ASP 7 Ca 0.42 -1.28 0.05 0.00 -0.52 0.00 0.00 52.55 51.22 3dmc s ASP 7 Cb 0.20 -2.57 0.24 0.00 -1.46 0.00 0.00 42.92 39.33 3dmc s ASP 7 CO 0.33 -2.27 1.55 -1.13 0.52 0.00 0.00 175.17 174.17 3dmc h ASN 8 N 10.16 0.24 0.07 -0.34 -1.24 -1.88 -1.95 115.58 120.64 3dmc h ASN 8 Ca 0.19 -0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 3dmc h ASN 8 Cb 0.98 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.96 3dmc h ASN 8 CO 1.30 0.80 -0.05 0.74 -1.29 0.00 0.00 177.43 178.94 3dmc h THR 9 N 0.16 0.90 -0.36 -3.57 2.02 -1.86 0.11 112.91 110.31 3dmc h THR 9 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3dmc h THR 9 Cb 1.13 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 3dmc h THR 9 CO 0.09 0.00 0.13 -0.07 0.37 0.00 0.00 175.52 176.05 3dmc h LEU 10 N -0.11 0.50 0.18 2.58 3.38 -1.87 -1.07 115.31 118.88 3dmc h LEU 10 Ca -0.00 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3dmc h LEU 10 Cb 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3dmc h LEU 10 CO 0.00 0.54 -0.19 0.50 0.09 0.00 0.00 178.44 179.38 3dmc h LYS 11 N 0.43 -0.39 -0.29 1.13 3.64 -1.09 0.29 116.57 120.29 3dmc h LYS 11 Ca 0.12 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3dmc h LYS 11 Cb 0.20 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3dmc h LYS 11 CO -0.01 -0.26 0.08 0.28 -2.27 0.00 0.00 179.45 177.28 3dmc h VAL 12 N -0.40 1.20 -0.61 2.00 2.07 -0.78 -1.60 116.25 118.14 3dmc h VAL 12 Ca 0.01 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3dmc h VAL 12 Cb 0.39 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3dmc h VAL 12 CO -0.06 0.22 0.36 0.00 0.02 0.00 0.00 177.57 178.11 3dmc h ALA 13 N 0.92 0.79 -0.54 1.67 0.00 -1.06 -0.11 119.26 120.94 3dmc h ALA 13 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3dmc h ALA 13 Cb 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3dmc h ALA 13 CO -0.00 0.08 0.18 0.45 0.00 0.00 0.00 179.25 179.96 3dmc h HIS 14 N 0.70 0.80 -0.32 0.00 -0.00 -0.67 0.24 115.15 115.91 3dmc h HIS 14 Ca 0.25 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.51 3dmc h HIS 14 Cb 0.06 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 3dmc h HIS 14 CO -0.06 0.64 -0.05 0.37 -0.00 0.00 0.00 177.93 178.83 3dmc h GLN 15 N 0.77 0.60 -1.01 2.45 5.75 -0.47 -1.14 115.11 122.07 3dmc h GLN 15 Ca 0.18 -0.22 0.10 0.00 -0.15 0.00 0.00 58.65 58.56 3dmc h GLN 15 Cb 0.21 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.64 3dmc h GLN 15 CO -0.01 0.77 0.64 0.78 -2.65 0.00 0.00 178.83 178.36 3dmc h GLY 16 N 0.39 1.61 1.61 2.39 0.00 -0.36 -2.14 103.07 106.56 3dmc h GLY 16 Ca 0.08 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 3dmc h GLY 16 CO 0.03 0.22 -0.49 -2.75 0.00 0.00 0.00 176.54 173.55 3dmc h PHE 17 N 1.06 0.51 -0.20 5.60 3.57 -0.12 0.92 116.94 128.30 3dmc h PHE 17 Ca 0.48 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3dmc h PHE 17 Cb 0.37 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3dmc h PHE 17 CO -0.00 0.83 0.13 0.93 -2.23 0.00 0.00 178.31 177.97 3dmc h GLU 18 N 0.34 0.26 0.00 1.11 4.39 -0.67 0.11 114.58 120.12 3dmc h GLU 18 Ca 0.02 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 3dmc h GLU 18 Cb 0.98 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 3dmc h GLU 18 CO 0.09 0.18 -0.33 0.74 -1.16 0.00 0.00 179.01 178.53 3dmc h PHE 19 N 0.26 0.00 -0.21 4.33 0.04 -0.91 -1.48 116.94 118.98 3dmc h PHE 19 Ca 0.07 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.69 3dmc h PHE 19 Cb -0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3dmc h PHE 19 CO -0.06 0.33 -0.47 0.35 -0.60 0.00 0.00 178.31 177.85 3dmc h PHE 20 N 0.00 0.87 -0.27 -0.55 3.57 -0.44 -0.76 116.94 119.37 3dmc h PHE 20 Ca -0.00 -0.33 0.03 0.00 3.53 0.00 0.00 57.97 61.19 3dmc h PHE 20 Cb 0.65 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3dmc h PHE 20 CO 0.00 1.11 0.10 1.15 -2.23 0.00 0.00 178.31 178.44 3dmc h THR 21 N 0.39 0.94 -0.80 4.41 2.02 -0.45 -0.44 112.91 118.98 3dmc h THR 21 Ca -0.00 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3dmc h THR 21 Cb 1.08 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 3dmc h THR 21 CO 0.10 0.04 0.38 -0.61 0.37 0.00 0.00 175.52 175.81 3dmc h GLN 22 N 0.23 1.15 -0.52 6.66 4.15 -1.14 -1.05 115.11 124.58 3dmc h GLN 22 Ca 0.12 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 3dmc h GLN 22 Cb 0.07 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3dmc h GLN 22 CO -0.11 0.89 0.03 0.78 -1.93 0.00 0.00 178.83 178.48 3dmc h GLY 23 N 1.16 0.97 1.04 2.39 0.00 -0.60 -0.45 103.07 107.58 3dmc h GLY 23 Ca 0.28 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 3dmc h GLY 23 CO -0.03 0.64 0.09 1.41 0.00 0.00 0.00 176.54 178.65 3dmc h LEU 24 N 0.77 0.96 -0.25 3.11 3.38 -0.67 0.21 115.31 122.82 3dmc h LEU 24 Ca 0.15 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 3dmc h LEU 24 Cb 0.48 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3dmc h LEU 24 CO 0.02 0.98 -0.73 0.00 0.09 0.00 0.00 178.44 178.81 3dmc h ALA 25 N 1.02 0.62 0.00 1.53 0.00 -0.90 -0.24 119.26 121.29 3dmc h ALA 25 Ca 0.18 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dmc h ALA 25 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dmc h ALA 25 CO 0.01 0.91 -0.87 0.25 0.00 0.00 0.00 179.25 179.55 3dmc n THR 26 N -3.42 0.00 -0.96 0.00 -2.24 -0.21 -4.24 114.28 103.22 3dmc n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3dmc n THR 26 Cb 0.78 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3dmc n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dmc n GLY 27 N 2.24 0.68 3.48 3.38 0.00 0.72 -5.00 105.19 110.69 3dmc n GLY 27 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3dmc n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dmc s GLU 28 N -0.04 3.06 0.00 1.61 0.41 -1.26 -4.94 118.70 117.54 3dmc s GLU 28 Ca 0.00 -0.84 0.15 0.00 -0.41 0.00 0.00 54.97 53.87 3dmc s GLU 28 Cb 0.00 -3.98 0.07 0.00 -1.78 0.00 0.00 34.13 28.45 3dmc s GLU 28 CO 0.00 -0.84 0.91 0.91 -0.49 0.00 0.00 175.26 175.76 3dmc n TRP 29 N 5.49 0.00 -0.22 1.61 7.02 -1.26 -3.79 117.44 126.30 3dmc n TRP 29 Ca -0.08 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.45 3dmc n TRP 29 Cb 0.47 0.00 0.31 0.00 -2.42 0.00 0.00 31.31 29.67 3dmc n TRP 29 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 3dmc h GLN 30 N 2.46 0.83 -0.36 -0.99 5.75 -1.96 -0.63 115.11 120.21 3dmc h GLN 30 Ca 0.00 -0.05 -0.14 0.00 -0.15 0.00 0.00 58.65 58.31 3dmc h GLN 30 Cb 0.58 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 3dmc h GLN 30 CO 0.00 0.55 -0.33 0.87 -2.65 0.00 0.00 178.83 177.27 3dmc h LYS 31 N 0.86 0.86 -0.19 1.69 1.57 -1.93 0.02 116.57 119.44 3dmc h LYS 31 Ca 0.33 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3dmc h LYS 31 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3dmc h LYS 31 CO -0.11 1.09 0.07 0.35 -0.57 0.00 0.00 179.45 180.27 3dmc h PHE 32 N 0.66 0.30 -0.63 -1.35 3.57 -1.65 -3.09 116.94 114.75 3dmc h PHE 32 Ca 0.06 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3dmc h PHE 32 Cb 0.91 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 3dmc h PHE 32 CO 0.07 0.37 0.39 -0.07 -2.23 0.00 0.00 178.31 176.84 3dmc h LEU 33 N 0.15 0.75 -3.71 0.59 3.38 -0.82 -3.23 115.31 112.41 3dmc h LEU 33 Ca 0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dmc h LEU 33 Cb 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dmc h LEU 33 CO -0.00 0.57 0.00 0.47 0.09 0.00 0.00 178.44 179.57 3dmc n ASP 34 N -4.41 1.62 -1.09 -0.43 8.00 -0.04 -4.80 116.55 115.41 3dmc n ASP 34 Ca 0.06 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.13 3dmc n ASP 34 Cb 0.07 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 3dmc n ASP 34 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3dmc n LEU 36 N 1.86 -0.28 -4.77 0.64 4.77 -1.22 -5.06 117.00 112.93 3dmc n LEU 36 Ca 0.00 0.41 -0.31 0.00 -0.03 0.00 0.00 56.01 56.08 3dmc n LEU 36 Cb 0.15 -1.73 0.09 0.00 -2.33 0.00 0.00 43.42 39.60 3dmc n LEU 36 CO 0.00 0.04 0.70 0.42 -1.33 0.00 0.00 177.39 177.23 3dmc s THR 37 N -3.19 3.41 0.38 -5.08 -4.23 -0.38 -4.89 115.64 101.64 3dmc s THR 37 Ca 0.00 0.46 0.25 0.00 -1.18 0.00 0.00 61.69 61.22 3dmc s THR 37 Cb 0.00 -2.97 0.26 0.00 1.34 0.00 0.00 72.50 71.13 3dmc s THR 37 CO 0.00 -0.60 2.01 -0.33 -0.54 0.00 0.00 174.62 175.17 3dmc h GLU 38 N -1.08 0.00 -0.58 3.99 4.39 -1.97 -1.70 114.58 117.62 3dmc h GLU 38 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3dmc h GLU 38 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3dmc h GLU 38 CO 0.52 0.16 0.00 -0.40 -1.16 0.00 0.00 179.01 178.13 3dmc n ASP 39 N -3.69 5.75 -4.61 1.42 5.75 -1.26 -4.46 116.55 115.45 3dmc n ASP 39 Ca -0.02 -2.93 -0.48 0.00 -0.01 0.00 0.00 54.79 51.35 3dmc n ASP 39 Cb 0.28 -0.69 -0.04 0.00 -1.03 0.00 0.00 41.12 39.64 3dmc n ASP 39 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3dmc n PHE 40 N 0.63 1.66 -4.28 2.11 7.35 -0.64 -4.69 117.46 119.61 3dmc n PHE 40 Ca 0.28 0.56 -0.19 0.00 -0.76 0.00 0.00 57.45 57.34 3dmc n PHE 40 Cb 1.20 -2.36 -0.11 0.00 0.35 0.00 0.00 39.48 38.56 3dmc n PHE 40 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3dmc s THR 41 N 0.11 1.52 -0.04 -2.13 -4.23 -0.92 0.02 115.64 109.97 3dmc s THR 41 Ca 0.75 -1.83 -0.06 0.00 -1.18 0.00 0.00 61.69 59.37 3dmc s THR 41 Cb -0.80 -1.68 0.01 0.00 1.34 0.00 0.00 72.50 71.36 3dmc s THR 41 CO 0.49 -0.40 0.15 0.72 -0.54 0.00 0.00 174.62 175.03 3dmc s PHE 42 N -2.19 -0.11 -0.09 3.99 -0.71 -0.37 -1.34 117.98 117.14 3dmc s PHE 42 Ca 0.12 0.27 0.02 0.00 -1.04 0.00 0.00 56.93 56.31 3dmc s PHE 42 Cb -0.05 0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.77 3dmc s PHE 42 CO 0.04 -0.13 -0.15 -0.46 -1.34 0.00 0.00 175.22 173.19 3dmc s TRP 43 N -0.27 2.74 0.03 3.49 -0.00 0.37 -0.72 118.94 124.59 3dmc s TRP 43 Ca -0.04 -0.48 0.02 0.00 -0.00 0.00 0.00 56.10 55.61 3dmc s TRP 43 Cb -0.03 -1.74 -0.02 0.00 -0.00 0.00 0.00 33.47 31.68 3dmc s TRP 43 CO 0.00 -0.07 -0.08 0.12 -0.00 0.00 0.00 176.95 176.93 3dmc s PHE 44 N -0.09 0.65 -0.35 5.86 5.36 -1.02 -1.99 117.98 126.40 3dmc s PHE 44 Ca -0.02 -0.43 0.27 0.00 -0.96 0.00 0.00 56.93 55.78 3dmc s PHE 44 Cb -0.14 -0.39 0.85 0.00 -0.34 0.00 0.00 43.02 43.00 3dmc s PHE 44 CO 0.04 -0.07 1.77 -1.35 -1.46 0.00 0.00 175.22 174.15 3dmc h PRO 45 N 4.74 0.00 0.00 10.12 0.11 -1.85 -0.66 132.00 144.46 3dmc h PRO 45 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3dmc h PRO 45 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3dmc h PRO 45 CO 0.42 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.62 3dmc n GLY 47 N 0.64 0.38 0.37 -0.55 0.00 -1.26 -4.69 105.19 100.08 3dmc n GLY 47 Ca 0.03 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.30 3dmc n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dmc h GLU 48 N 0.00 0.72 -0.59 1.61 4.81 -2.05 -0.98 114.58 118.10 3dmc h GLU 48 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3dmc h GLU 48 Cb 0.00 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.22 3dmc h GLU 48 CO 0.00 0.48 0.00 1.19 -0.73 0.00 0.00 179.01 179.95 3dmc n PHE 49 N -4.53 1.86 -1.71 0.92 3.72 -1.26 -4.99 117.46 111.47 3dmc n PHE 49 Ca 0.15 -0.69 -0.42 0.00 -0.05 0.00 0.00 57.45 56.43 3dmc n PHE 49 Cb 0.38 -0.42 -0.01 0.00 -0.94 0.00 0.00 39.48 38.50 3dmc n PHE 49 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3dmc n HIS 50 N 0.76 2.43 -2.56 1.38 -0.00 -0.37 -4.03 115.22 112.83 3dmc n HIS 50 Ca 0.27 0.50 0.00 0.00 -0.00 0.00 0.00 57.72 58.49 3dmc n HIS 50 Cb 1.09 -2.46 0.00 0.00 -0.00 0.00 0.00 29.99 28.63 3dmc n HIS 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dmc n GLY 51 N 0.99 -0.37 3.70 1.57 0.00 -0.26 -4.87 105.19 105.97 3dmc n GLY 51 Ca 0.05 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 3dmc n GLY 51 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dmc s LEU 52 N 0.00 4.29 -0.04 0.99 2.96 -1.26 -2.44 118.68 123.18 3dmc s LEU 52 Ca 0.00 1.24 0.06 0.00 -0.22 0.00 0.00 54.13 55.21 3dmc s LEU 52 Cb 0.00 -3.18 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 3dmc s LEU 52 CO 0.00 -0.21 -0.22 0.20 -1.32 0.00 0.00 176.35 174.80 3dmc s ASN 53 N 0.92 2.72 -0.09 3.68 0.01 0.10 -4.99 114.94 117.31 3dmc s ASN 53 Ca 0.40 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 52.14 3dmc s ASN 53 Cb -0.18 -0.64 -0.01 0.00 0.41 0.00 0.00 41.25 40.83 3dmc s ASN 53 CO 0.18 0.23 -0.22 -0.69 -1.51 0.00 0.00 177.10 175.09 3dmc s VAL 54 N -0.20 2.30 0.00 1.60 1.01 -1.26 -1.24 120.40 122.61 3dmc s VAL 54 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3dmc s VAL 54 Cb -0.12 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3dmc s VAL 54 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3dmc n GLY 55 N 3.24 -0.41 0.14 4.51 0.00 0.10 -4.52 105.19 108.26 3dmc n GLY 55 Ca -0.18 -1.67 0.02 0.00 0.00 0.00 0.00 46.02 44.19 3dmc n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dmc h LYS 56 N 0.00 0.00 -0.10 1.61 1.57 -1.80 -1.48 116.57 116.37 3dmc h LYS 56 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3dmc h LYS 56 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3dmc h LYS 56 CO 0.00 0.55 0.02 0.93 -0.57 0.00 0.00 179.45 180.39 3dmc h GLU 57 N 0.00 0.16 -0.35 3.15 3.07 -1.96 -1.19 114.58 117.45 3dmc h GLU 57 Ca -0.01 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 3dmc h GLU 57 Cb 1.32 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.19 3dmc h GLU 57 CO 0.07 0.34 -0.06 -0.09 -1.40 0.00 0.00 179.01 177.87 3dmc h ARG 58 N -0.05 0.57 -0.40 2.33 9.65 -1.77 -2.33 114.38 122.38 3dmc h ARG 58 Ca 0.03 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 3dmc h ARG 58 Cb 0.25 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 3dmc h ARG 58 CO 0.00 0.63 0.20 0.00 2.80 0.00 0.00 179.97 183.60 3dmc h ALA 59 N 1.41 0.51 -0.92 2.80 0.00 -1.05 -0.95 119.26 121.07 3dmc h ALA 59 Ca 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3dmc h ALA 59 Cb 0.43 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3dmc h ALA 59 CO 0.02 0.07 0.60 -0.22 0.00 0.00 0.00 179.25 179.71 3dmc h LYS 60 N 0.51 1.13 0.05 0.00 3.64 -0.94 -0.36 116.57 120.60 3dmc h LYS 60 Ca 0.14 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3dmc h LYS 60 Cb 0.10 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3dmc h LYS 60 CO -0.02 0.75 -0.03 0.93 -2.27 0.00 0.00 179.45 178.81 3dmc h GLU 61 N 1.16 -0.07 -0.08 1.90 5.08 -0.92 -0.85 114.58 120.80 3dmc h GLU 61 Ca 0.36 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 3dmc h GLU 61 Cb -0.01 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3dmc h GLU 61 CO -0.12 -0.04 -0.15 0.35 -1.00 0.00 0.00 179.01 178.05 3dmc h PHE 62 N -0.07 -0.37 -0.19 4.33 3.57 -0.59 -0.54 116.94 123.07 3dmc h PHE 62 Ca -0.00 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 3dmc h PHE 62 Cb 0.06 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3dmc h PHE 62 CO -0.08 -0.21 -0.42 0.74 -2.23 0.00 0.00 178.31 176.11 3dmc h PHE 63 N -0.20 0.53 -0.82 0.41 0.04 -0.92 0.16 116.94 116.14 3dmc h PHE 63 Ca 0.08 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 3dmc h PHE 63 Cb 0.31 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 3dmc h PHE 63 CO -0.24 0.79 0.41 1.15 -0.60 0.00 0.00 178.31 179.82 3dmc h THR 64 N 0.37 1.25 -0.52 -1.55 2.02 -0.98 -2.24 112.91 111.26 3dmc h THR 64 Ca 0.03 -0.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 3dmc h THR 64 Cb 0.89 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3dmc h THR 64 CO 0.07 0.29 0.05 0.22 0.37 0.00 0.00 175.52 176.52 3dmc h TYR 65 N 1.16 0.96 -0.36 3.16 3.20 -0.12 -0.93 116.97 124.03 3dmc h TYR 65 Ca 0.28 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3dmc h TYR 65 Cb 0.08 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3dmc h TYR 65 CO 0.01 0.87 0.22 0.28 -1.64 0.00 0.00 178.16 177.91 3dmc h VAL 66 N 0.76 1.07 0.00 1.81 2.07 -0.38 -2.92 116.25 118.66 3dmc h VAL 66 Ca 0.15 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3dmc h VAL 66 Cb 0.46 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3dmc h VAL 66 CO 0.02 0.08 0.00 0.28 0.02 0.00 0.00 177.57 177.97 3dmc h SER 67 N 0.46 0.00 -0.41 0.57 0.02 -1.14 -3.37 113.55 109.67 3dmc h SER 67 Ca 0.14 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3dmc h SER 67 Cb -0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3dmc h SER 67 CO -0.05 0.00 0.28 1.05 -1.14 0.00 0.00 176.83 176.97 3dmc h GLU 68 N 0.00 0.29 -0.02 3.45 4.11 -0.97 -2.05 114.58 119.40 3dmc h GLU 68 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3dmc h GLU 68 Cb 0.91 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3dmc h GLU 68 CO 0.00 0.19 -0.00 0.43 0.07 0.00 0.00 179.01 179.70 3dmc n SER 69 N -4.47 2.35 -4.30 3.06 7.64 -1.26 -4.64 113.62 111.99 3dmc n SER 69 Ca 0.05 -1.68 -0.45 0.00 1.01 0.00 0.00 58.87 57.81 3dmc n SER 69 Cb 0.26 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.45 3dmc n SER 69 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3dmc s PHE 70 N -1.36 4.00 0.47 1.43 0.40 -0.77 -1.71 117.98 120.44 3dmc s PHE 70 Ca 0.19 -2.45 0.32 0.00 -0.60 0.00 0.00 56.93 54.39 3dmc s PHE 70 Cb 0.14 -3.75 1.74 0.00 0.51 0.00 0.00 43.02 41.66 3dmc s PHE 70 CO 0.20 -0.94 2.17 0.45 0.70 0.00 0.00 175.22 177.80 3dmc h HIS 71 N 7.06 0.00 0.00 0.36 3.86 -1.79 -0.34 115.15 124.31 3dmc h HIS 71 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3dmc h HIS 71 Cb 0.94 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.41 3dmc h HIS 71 CO 0.86 0.06 -0.03 0.25 0.86 0.00 0.00 177.93 179.93 3dmc n THR 72 N -3.50 1.68 -0.81 2.45 -2.24 -1.26 -5.11 114.28 105.49 3dmc n THR 72 Ca -0.02 -2.00 0.00 0.00 -2.27 0.00 0.00 64.05 59.76 3dmc n THR 72 Cb 0.18 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3dmc n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dmc n GLY 73 N -1.25 -2.36 3.32 3.38 0.00 -0.14 -4.89 105.19 103.26 3dmc n GLY 73 Ca 0.13 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 3dmc n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dmc s ILE 74 N -0.78 2.54 -0.05 -0.61 1.01 -0.10 -4.05 121.20 119.16 3dmc s ILE 74 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 3dmc s ILE 74 Cb 0.00 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3dmc s ILE 74 CO 0.00 0.56 0.15 -1.10 0.00 0.00 0.00 174.94 174.54 3dmc s GLN 75 N 0.05 3.37 -0.48 2.79 -1.52 0.10 -2.86 119.66 121.12 3dmc s GLN 75 Ca -0.08 -0.28 -0.19 0.00 -1.95 0.00 0.00 55.36 52.87 3dmc s GLN 75 Cb -0.15 -3.09 0.04 0.00 -0.22 0.00 0.00 33.01 29.60 3dmc s GLN 75 CO 0.05 0.71 0.59 0.42 -0.25 0.00 0.00 175.29 176.82 3dmc s ILE 76 N -1.18 4.90 0.11 1.08 1.01 -1.26 -0.82 121.20 125.03 3dmc s ILE 76 Ca 0.22 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 3dmc s ILE 76 Cb -0.12 -4.23 -0.15 0.00 0.01 0.00 0.00 42.46 37.96 3dmc s ILE 76 CO 0.12 -0.69 1.31 0.28 0.00 0.00 0.00 174.94 175.96 3dmc h SER 77 N 8.92 0.94 -4.32 3.58 0.02 -1.17 -3.46 113.55 118.06 3dmc h SER 77 Ca -0.27 -0.61 -0.08 0.00 -0.84 0.00 0.00 61.79 60.00 3dmc h SER 77 Cb 1.10 -0.28 -0.21 0.00 0.14 0.00 0.00 62.40 63.15 3dmc h SER 77 CO 0.92 1.41 -0.00 -0.94 -1.14 0.00 0.00 176.83 177.08 3dmc s SER 78 N -7.10 -0.58 -0.36 3.07 1.04 -1.14 -5.00 113.70 103.64 3dmc s SER 78 Ca -0.10 0.95 -0.07 0.00 0.48 0.00 0.00 55.95 57.20 3dmc s SER 78 Cb 0.09 0.94 0.05 0.00 0.10 0.00 0.00 66.02 67.20 3dmc s SER 78 CO 0.90 -0.33 0.15 -0.22 0.98 0.00 0.00 173.24 174.72 3dmc s LEU 79 N -0.24 4.55 -0.23 2.42 2.96 -1.26 -0.94 118.68 125.94 3dmc s LEU 79 Ca -0.04 -1.21 0.05 0.00 -0.22 0.00 0.00 54.13 52.71 3dmc s LEU 79 Cb -0.03 -1.91 -0.19 0.00 0.50 0.00 0.00 46.19 44.55 3dmc s LEU 79 CO 0.03 -0.38 -0.11 0.47 -1.32 0.00 0.00 176.35 175.05 3dmc n ASP 80 N 4.85 1.57 -3.73 3.68 8.00 0.03 -4.95 116.55 126.00 3dmc n ASP 80 Ca -0.12 -0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.19 3dmc n ASP 80 Cb 0.44 -0.15 -0.13 0.00 -0.02 0.00 0.00 41.12 41.27 3dmc n ASP 80 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dmc s ARG 81 N -2.52 0.23 -0.16 -1.24 0.52 -1.05 -5.02 118.95 109.72 3dmc s ARG 81 Ca -0.28 0.53 -0.00 0.00 -0.52 0.00 0.00 55.73 55.45 3dmc s ARG 81 Cb 0.08 -0.08 0.04 0.00 0.52 0.00 0.00 34.95 35.51 3dmc s ARG 81 CO 0.66 -0.15 -0.06 0.08 0.02 0.00 0.00 175.30 175.85 3dmc s VAL 82 N 1.14 1.16 0.18 3.52 1.01 -1.26 -0.60 120.40 125.55 3dmc s VAL 82 Ca -0.08 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.41 3dmc s VAL 82 Cb -0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3dmc s VAL 82 CO -0.08 0.19 -0.23 0.42 0.00 0.00 0.00 175.10 175.40 3dmc s THR 83 N 1.62 2.27 0.25 3.92 -4.23 -0.37 -4.96 115.64 114.14 3dmc s THR 83 Ca 0.02 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 3dmc s THR 83 Cb -0.15 -2.07 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 3dmc s THR 83 CO -0.08 -0.13 0.45 -0.94 -0.54 0.00 0.00 174.62 173.38 3dmc s SER 84 N -2.62 0.03 0.00 3.99 1.04 -1.26 -0.75 113.70 114.13 3dmc s SER 84 Ca 0.19 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.59 3dmc s SER 84 Cb -0.08 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3dmc s SER 84 CO 0.09 -1.14 0.00 -0.46 0.98 0.00 0.00 173.24 172.71 3dmc n ASN 85 N -0.49 0.01 0.25 7.02 0.23 -0.43 -0.87 115.26 120.98 3dmc n ASN 85 Ca -0.01 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.13 3dmc n ASN 85 Cb 0.62 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.96 3dmc n ASN 85 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3dmc h GLU 86 N 0.00 0.00 0.00 -3.83 5.08 -2.02 -3.36 114.58 110.45 3dmc h GLU 86 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dmc h GLU 86 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dmc h GLU 86 CO 0.00 0.12 -0.21 0.25 -1.00 0.00 0.00 179.01 178.17 3dmc n THR 87 N -4.11 0.00 -4.92 1.13 -2.24 -1.26 -4.74 114.28 98.14 3dmc n THR 87 Ca -0.02 -0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.40 3dmc n THR 87 Cb 0.20 0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 68.84 3dmc n THR 87 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3dmc s THR 88 N -0.60 1.65 -0.03 4.28 2.01 -1.26 -0.34 115.64 121.35 3dmc s THR 88 Ca 0.00 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.06 3dmc s THR 88 Cb 0.00 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 71.13 3dmc s THR 88 CO 0.00 0.40 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.53 3dmc s VAL 89 N -0.57 0.95 -0.07 3.82 1.01 -0.06 -1.31 120.40 124.17 3dmc s VAL 89 Ca 0.08 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3dmc s VAL 89 Cb -0.08 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 3dmc s VAL 89 CO -0.00 0.29 -0.24 -0.69 0.00 0.00 0.00 175.10 174.46 3dmc s VAL 90 N 0.15 2.12 -0.24 2.92 1.01 0.07 -0.32 120.40 126.10 3dmc s VAL 90 Ca -0.03 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 3dmc s VAL 90 Cb -0.09 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3dmc s VAL 90 CO 0.01 0.57 -0.02 -0.36 0.00 0.00 0.00 175.10 175.30 3dmc s PHE 91 N -0.01 3.02 -0.28 5.22 0.40 0.44 -1.24 117.98 125.54 3dmc s PHE 91 Ca -0.08 -1.08 -0.09 0.00 -0.60 0.00 0.00 56.93 55.08 3dmc s PHE 91 Cb -0.15 -2.13 -0.02 0.00 0.51 0.00 0.00 43.02 41.23 3dmc s PHE 91 CO 0.05 -0.59 0.12 -1.21 0.70 0.00 0.00 175.22 174.29 3dmc s GLU 92 N 1.45 3.58 0.17 0.44 2.02 0.23 -1.39 118.70 125.20 3dmc s GLU 92 Ca 0.04 -0.55 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 3dmc s GLU 92 Cb -0.15 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 3dmc s GLU 92 CO -0.02 -0.28 0.10 -0.59 0.02 0.00 0.00 175.26 174.49 3dmc s PHE 93 N 1.64 1.05 -0.06 1.61 -0.71 -0.16 -0.79 117.98 120.57 3dmc s PHE 93 Ca 0.06 -1.33 0.06 0.00 -1.04 0.00 0.00 56.93 54.68 3dmc s PHE 93 Cb -0.16 -0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 41.11 3dmc s PHE 93 CO 0.06 -0.59 -0.24 1.03 -1.34 0.00 0.00 175.22 174.13 3dmc s ARG 94 N -4.12 2.44 0.18 1.99 0.52 -0.12 -1.18 118.95 118.66 3dmc s ARG 94 Ca 0.34 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 3dmc s ARG 94 Cb 0.07 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 3dmc s ARG 94 CO 0.08 0.36 0.04 0.16 0.02 0.00 0.00 175.30 175.96 3dmc s ASP 95 N -0.14 0.94 -0.09 0.23 -4.77 -0.42 -0.55 116.67 111.87 3dmc s ASP 95 Ca -0.04 -1.23 -0.30 0.00 -3.30 0.00 0.00 52.55 47.68 3dmc s ASP 95 Cb -0.13 0.18 0.09 0.00 -1.09 0.00 0.00 42.92 41.96 3dmc s ASP 95 CO 0.03 -0.65 0.77 -1.83 0.70 0.00 0.00 175.17 174.20 3dmc s GLU 96 N -3.98 0.91 -0.08 2.11 -1.05 -0.00 -1.47 118.70 115.14 3dmc s GLU 96 Ca 0.27 0.26 -0.32 0.00 -0.15 0.00 0.00 54.97 55.03 3dmc s GLU 96 Cb 0.07 0.43 0.13 0.00 -0.44 0.00 0.00 34.13 34.32 3dmc s GLU 96 CO 0.05 -0.28 1.25 0.20 0.95 0.00 0.00 175.26 177.44 3dmc s GLY 97 N -1.09 -0.36 -0.24 -3.83 0.00 -0.46 0.03 107.32 101.38 3dmc s GLY 97 Ca -0.08 1.05 -0.25 0.00 0.00 0.00 0.00 44.72 45.44 3dmc s GLY 97 CO 0.07 0.28 0.84 1.08 0.00 0.00 0.00 173.10 175.37 3dmc s LEU 98 N -2.66 4.08 -0.55 0.66 1.43 -1.26 -1.00 118.68 119.38 3dmc s LEU 98 Ca 0.12 1.05 -0.17 0.00 -1.03 0.00 0.00 54.13 54.11 3dmc s LEU 98 Cb 0.02 -3.20 0.12 0.00 0.03 0.00 0.00 46.19 43.16 3dmc s LEU 98 CO -0.04 -0.52 0.55 0.12 0.23 0.00 0.00 176.35 176.70 3dmc s PHE 99 N 2.83 3.18 -1.45 0.29 5.36 0.14 -4.01 117.98 124.32 3dmc s PHE 99 Ca 0.35 -1.20 -0.00 0.00 -0.96 0.00 0.00 56.93 55.12 3dmc s PHE 99 Cb -0.15 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.68 3dmc s PHE 99 CO 0.07 -1.09 0.31 1.28 -1.46 0.00 0.00 175.22 174.33 3dmc n LEU 100 N 5.54 -1.87 0.00 6.12 4.77 -0.69 -0.90 117.00 129.97 3dmc n LEU 100 Ca -0.13 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 3dmc n LEU 100 Cb 0.41 -2.05 0.00 0.00 -2.33 0.00 0.00 43.42 39.45 3dmc n LEU 100 CO 0.55 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3dmc n GLY 101 N -2.14 1.38 3.71 -0.72 0.00 -1.26 -5.00 105.19 101.16 3dmc n GLY 101 Ca -0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 3dmc n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dmc s LYS 102 N -0.24 3.50 -0.29 1.61 3.01 -0.07 -4.98 119.74 122.28 3dmc s LYS 102 Ca 0.00 -0.32 -0.29 0.00 -1.01 0.00 0.00 55.97 54.35 3dmc s LYS 102 Cb 0.00 -3.06 -0.02 0.00 -1.01 0.00 0.00 37.83 33.75 3dmc s LYS 102 CO 0.00 0.54 1.64 -1.25 0.51 0.00 0.00 175.35 176.79 3dmc s PRO 103 N -0.39 3.60 -0.19 -1.68 0.04 -1.26 0.29 135.00 135.40 3dmc s PRO 103 Ca 0.09 1.46 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 3dmc s PRO 103 Cb -0.12 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.29 3dmc s PRO 103 CO 0.02 -1.53 0.08 -0.47 0.04 0.00 0.00 177.00 175.13 3dmc s TYR 104 N 5.83 3.28 -0.00 0.56 5.04 -0.17 -4.77 117.35 127.11 3dmc s TYR 104 Ca 0.73 0.12 0.01 0.00 -2.44 0.00 0.00 57.07 55.48 3dmc s TYR 104 Cb -0.22 -2.10 -0.00 0.00 0.35 0.00 0.00 41.96 39.99 3dmc s TYR 104 CO 0.31 0.17 -0.02 0.15 -1.34 0.00 0.00 175.55 174.82 3dmc s LYS 105 N 0.40 0.21 0.22 4.97 1.02 -0.41 -1.35 119.74 124.80 3dmc s LYS 105 Ca 0.04 -0.08 -0.13 0.00 0.02 0.00 0.00 55.97 55.82 3dmc s LYS 105 Cb -0.12 -0.21 0.00 0.00 -0.52 0.00 0.00 37.83 36.98 3dmc s LYS 105 CO -0.00 0.05 0.45 1.21 -0.92 0.00 0.00 175.35 176.14 3dmc s ASN 106 N -0.01 -0.10 -0.09 2.83 3.84 -0.54 -2.08 114.94 118.78 3dmc s ASN 106 Ca 0.01 -0.83 0.00 0.00 0.21 0.00 0.00 52.86 52.25 3dmc s ASN 106 Cb -0.02 0.56 -0.02 0.00 -0.55 0.00 0.00 41.25 41.22 3dmc s ASN 106 CO -0.00 -1.08 -0.09 -0.13 -2.79 0.00 0.00 177.10 173.01 3dmc s ARG 107 N -3.98 3.01 0.01 0.43 0.52 -1.26 -1.30 118.95 116.38 3dmc s ARG 107 Ca 0.19 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 3dmc s ARG 107 Cb -0.00 -2.61 -0.01 0.00 0.52 0.00 0.00 34.95 32.85 3dmc s ARG 107 CO 0.05 0.48 -0.02 0.08 0.02 0.00 0.00 175.30 175.91 3dmc s VAL 108 N -0.32 0.08 -0.11 3.52 1.01 -0.33 -0.20 120.40 124.05 3dmc s VAL 108 Ca 0.04 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3dmc s VAL 108 Cb -0.13 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.09 3dmc s VAL 108 CO 0.02 -0.31 -0.19 0.00 0.00 0.00 0.00 175.10 174.62 3dmc s ALA 109 N -0.92 1.97 -0.12 5.51 0.00 -0.58 -0.98 121.76 126.64 3dmc s ALA 109 Ca -0.10 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 3dmc s ALA 109 Cb -0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3dmc s ALA 109 CO -0.01 0.04 -0.10 0.08 0.00 0.00 0.00 175.76 175.78 3dmc s VAL 110 N 0.75 3.40 -0.13 0.00 1.01 -0.48 -0.87 120.40 124.07 3dmc s VAL 110 Ca -0.10 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3dmc s VAL 110 Cb -0.16 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3dmc s VAL 110 CO 0.01 0.53 -0.22 -0.55 0.00 0.00 0.00 175.10 174.87 3dmc s SER 111 N 0.04 3.08 0.02 3.32 0.15 0.44 -0.42 113.70 120.33 3dmc s SER 111 Ca -0.03 -0.59 0.04 0.00 0.70 0.00 0.00 55.95 56.08 3dmc s SER 111 Cb -0.14 -1.42 -0.03 0.00 -1.71 0.00 0.00 66.02 62.71 3dmc s SER 111 CO 0.04 0.10 -0.09 -0.36 1.20 0.00 0.00 173.24 174.13 3dmc s PHE 112 N 0.67 2.81 -0.10 3.44 0.08 0.56 -1.22 117.98 124.23 3dmc s PHE 112 Ca -0.11 -0.09 -0.06 0.00 0.12 0.00 0.00 56.93 56.79 3dmc s PHE 112 Cb -0.16 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3dmc s PHE 112 CO 0.01 0.35 0.14 -0.51 -0.10 0.00 0.00 175.22 175.11 3dmc s ASP 113 N -1.49 6.31 -0.10 1.36 1.11 -0.70 -0.88 116.67 122.28 3dmc s ASP 113 Ca 0.17 0.43 -0.01 0.00 0.18 0.00 0.00 52.55 53.31 3dmc s ASP 113 Cb -0.11 -2.02 -0.03 0.00 1.07 0.00 0.00 42.92 41.83 3dmc s ASP 113 CO 0.08 0.38 -0.04 -0.69 1.18 0.00 0.00 175.17 176.07 3dmc s VAL 114 N -1.07 3.89 -0.25 -1.27 1.01 0.54 -1.10 120.40 122.14 3dmc s VAL 114 Ca 0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3dmc s VAL 114 Cb -0.12 -2.64 0.08 0.00 0.00 0.00 0.00 36.38 33.70 3dmc s VAL 114 CO 0.06 0.57 0.06 -0.60 0.00 0.00 0.00 175.10 175.19 3dmc s ARG 115 N -0.43 0.73 7.79 2.72 3.52 0.88 -4.87 118.95 129.30 3dmc s ARG 115 Ca 0.07 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 3dmc s ARG 115 Cb -0.12 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 3dmc s ARG 115 CO 0.02 -0.81 0.00 0.41 -0.81 0.00 0.00 175.30 174.11 3dmc n GLY 116 N 4.94 3.35 1.43 8.12 0.00 -1.26 -1.76 105.19 120.01 3dmc n GLY 116 Ca -0.06 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.94 3dmc n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dmc n ASP 117 N 7.84 4.21 -4.28 1.61 5.75 -1.26 -4.91 116.55 125.51 3dmc n ASP 117 Ca 0.00 -2.26 -0.21 0.00 -0.01 0.00 0.00 54.79 52.30 3dmc n ASP 117 Cb 0.00 -0.53 -0.10 0.00 -1.03 0.00 0.00 41.12 39.47 3dmc n ASP 117 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3dmc s LYS 118 N -1.55 1.67 -0.16 0.11 1.02 -0.72 -5.00 119.74 115.10 3dmc s LYS 118 Ca 0.47 -1.96 -0.03 0.00 0.02 0.00 0.00 55.97 54.48 3dmc s LYS 118 Cb 0.28 -0.58 -0.02 0.00 -0.52 0.00 0.00 37.83 36.99 3dmc s LYS 118 CO 0.26 -0.32 -0.06 0.42 -0.92 0.00 0.00 175.35 174.73 3dmc s ILE 119 N -3.40 3.62 -0.43 2.17 1.01 -1.26 -0.08 121.20 122.82 3dmc s ILE 119 Ca 0.33 -0.45 0.12 0.00 0.00 0.00 0.00 60.65 60.65 3dmc s ILE 119 Cb 0.06 -2.59 -0.14 0.00 0.01 0.00 0.00 42.46 39.80 3dmc s ILE 119 CO 0.15 0.48 0.45 0.00 0.00 0.00 0.00 174.94 176.02 3dmc s SER 121 N -2.43 -0.48 -0.07 0.00 1.04 -1.23 -2.16 113.70 108.38 3dmc s SER 121 Ca 0.02 -0.13 -0.05 0.00 0.48 0.00 0.00 55.95 56.27 3dmc s SER 121 Cb 0.09 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.83 3dmc s SER 121 CO 0.49 -1.00 0.17 -0.47 0.98 0.00 0.00 173.24 173.40 3dmc s TYR 122 N -3.70 -0.19 -0.02 5.02 6.14 -0.45 -1.71 117.35 122.43 3dmc s TYR 122 Ca 0.04 0.47 0.00 0.00 0.64 0.00 0.00 57.07 58.22 3dmc s TYR 122 Cb -0.02 0.04 0.03 0.00 0.42 0.00 0.00 41.96 42.43 3dmc s TYR 122 CO -0.08 -0.11 0.02 1.03 0.64 0.00 0.00 175.55 177.05 3dmc s ARG 123 N 0.34 0.03 -0.10 4.97 0.52 -0.36 -0.48 118.95 123.88 3dmc s ARG 123 Ca -0.02 0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.37 3dmc s ARG 123 Cb -0.03 -0.31 -0.02 0.00 0.52 0.00 0.00 34.95 35.11 3dmc s ARG 123 CO -0.01 -0.17 -0.12 -2.00 0.02 0.00 0.00 175.30 173.02 3dmc s GLU 124 N 1.10 3.08 -0.01 3.54 2.12 -0.84 -0.42 118.70 127.27 3dmc s GLU 124 Ca -0.09 -0.65 0.05 0.00 0.36 0.00 0.00 54.97 54.63 3dmc s GLU 124 Cb -0.13 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.67 3dmc s GLU 124 CO -0.03 0.39 -0.15 0.71 -0.54 0.00 0.00 175.26 175.64 3dmc s TYR 125 N -0.11 1.35 -0.15 5.30 1.51 -0.05 -4.32 117.35 120.88 3dmc s TYR 125 Ca -0.01 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.67 3dmc s TYR 125 Cb -0.14 -0.87 -0.05 0.00 -0.11 0.00 0.00 41.96 40.80 3dmc s TYR 125 CO 0.03 -0.02 0.27 -0.06 -1.11 0.00 0.00 175.55 174.67 3dmc s PHE 126 N -0.36 3.49 -0.60 2.71 0.08 -1.26 -1.52 117.98 120.52 3dmc s PHE 126 Ca 0.06 0.60 0.08 0.00 0.12 0.00 0.00 56.93 57.79 3dmc s PHE 126 Cb -0.06 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 3dmc s PHE 126 CO -0.01 0.32 0.47 0.41 -0.10 0.00 0.00 175.22 176.31 3dmc n GLY 127 N 3.16 0.01 0.00 4.36 0.00 0.72 -4.97 105.19 108.48 3dmc n GLY 127 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3dmc n GLY 127 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dmc n SER 128 N -0.70 0.01 -0.38 1.61 2.88 -1.23 -4.75 113.62 111.06 3dmc n SER 128 Ca 0.03 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.61 3dmc n SER 128 Cb 0.15 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.72 3dmc n SER 128 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3dmc n ASP 129 N 0.00 2.61 0.00 -3.46 5.68 -1.26 -4.87 116.55 115.25 3dmc n ASP 129 Ca 0.00 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 3dmc n ASP 129 Cb 0.00 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 3dmc n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dmc n GLY 130 N -0.07 1.17 0.00 6.12 0.00 -1.14 -4.78 105.19 106.50 3dmc n GLY 130 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 3dmc n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dmc n LYS 131 N -2.00 5.31 -3.48 1.61 5.02 -0.88 -1.29 118.16 122.45 3dmc n LYS 131 Ca 0.00 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 3dmc n LYS 131 Cb 0.00 -0.73 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 3dmc n LYS 131 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dmc s SER 132 N -1.43 -0.53 0.00 4.39 1.04 -1.15 -4.67 113.70 111.35 3dmc s SER 132 Ca 0.02 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.66 3dmc s SER 132 Cb 0.04 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3dmc s SER 132 CO 0.19 -0.75 0.00 -0.46 0.98 0.00 0.00 173.24 173.21