#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmc s THR 3 N 0.00 0.00 -0.01 2.61 -1.32 -1.26 -4.83 115.64 110.84 3dmc s THR 3 Ca 0.00 -0.69 -0.29 0.00 -1.21 0.00 0.00 61.69 59.50 3dmc s THR 3 Cb 0.00 -2.71 0.10 0.00 -1.51 0.00 0.00 72.50 68.38 3dmc s THR 3 CO 0.00 0.00 0.98 -2.28 -2.21 0.00 0.00 174.62 171.11 3dmc s HIS 4 N -2.43 -0.25 0.08 9.09 5.65 -1.26 -5.00 115.29 121.16 3dmc s HIS 4 Ca 0.19 0.10 0.30 0.00 0.25 0.00 0.00 55.06 55.90 3dmc s HIS 4 Cb -0.03 0.55 1.59 0.00 -1.18 0.00 0.00 32.58 33.51 3dmc s HIS 4 CO 0.06 -0.52 1.92 0.10 -0.65 0.00 0.00 174.74 175.65 3dmc h TYR 5 N 2.00 0.00 -0.22 3.88 -0.00 -2.07 -0.04 116.97 120.52 3dmc h TYR 5 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.52 3dmc h TYR 5 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.95 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 -2.58 1.56 -4.58 0.10 3.41 -1.26 -4.65 113.62 105.62 3dmc n SER 6 Ca -0.01 -1.81 -0.41 0.00 -0.26 0.00 0.00 58.87 56.38 3dmc n SER 6 Cb 0.08 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.33 6.55 0.39 4.04 -1.08 -0.03 -4.79 116.67 120.42 3dmc s ASP 7 Ca 0.27 -2.29 0.06 0.00 -0.52 0.00 0.00 52.55 50.08 3dmc s ASP 7 Cb 0.14 -2.58 0.80 0.00 -1.46 0.00 0.00 42.92 39.82 3dmc s ASP 7 CO 0.21 -1.48 2.04 -1.13 0.52 0.00 0.00 175.17 175.33 3dmc h ASN 8 N 7.99 0.52 0.23 -0.34 -1.24 -1.88 -1.96 115.58 118.91 3dmc h ASN 8 Ca 0.40 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.38 3dmc h ASN 8 Cb 0.89 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.81 3dmc h ASN 8 CO 1.42 0.39 -0.11 0.74 -1.29 0.00 0.00 177.43 178.58 3dmc h THR 9 N 0.61 0.79 -0.30 -3.57 2.02 -1.86 0.11 112.91 110.70 3dmc h THR 9 Ca 0.16 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.26 3dmc h THR 9 Cb -0.04 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3dmc h THR 9 CO -0.03 0.02 0.16 -0.07 0.37 0.00 0.00 175.52 175.97 3dmc h LEU 10 N -0.36 0.24 -0.07 2.58 3.38 -1.85 -1.19 115.31 118.04 3dmc h LEU 10 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dmc h LEU 10 Cb 0.27 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3dmc h LEU 10 CO 0.05 0.18 0.04 0.50 0.09 0.00 0.00 178.44 179.30 3dmc h LYS 11 N 0.32 0.09 -0.60 1.13 3.64 -1.15 0.11 116.57 120.11 3dmc h LYS 11 Ca 0.12 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3dmc h LYS 11 Cb 0.03 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3dmc h LYS 11 CO -0.08 0.08 0.07 0.28 -2.27 0.00 0.00 179.45 177.54 3dmc h VAL 12 N 0.08 1.26 -0.58 2.00 2.07 -0.74 -1.48 116.25 118.86 3dmc h VAL 12 Ca 0.02 -1.04 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 3dmc h VAL 12 Cb 0.01 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3dmc h VAL 12 CO -0.01 0.38 0.20 0.00 0.02 0.00 0.00 177.57 178.17 3dmc h ALA 13 N 1.01 0.76 -0.84 1.67 0.00 -0.98 -0.50 119.26 120.38 3dmc h ALA 13 Ca 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3dmc h ALA 13 Cb 0.46 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3dmc h ALA 13 CO 0.02 0.40 0.38 0.45 0.00 0.00 0.00 179.25 180.50 3dmc h HIS 14 N 0.81 1.23 -0.63 0.00 -0.00 -0.73 0.29 115.15 116.13 3dmc h HIS 14 Ca 0.19 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.37 60.44 3dmc h HIS 14 Cb 0.25 -0.38 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 3dmc h HIS 14 CO 0.01 0.90 0.19 0.37 -0.00 0.00 0.00 177.93 179.41 3dmc h GLN 15 N 1.20 0.98 -0.59 2.45 5.75 -0.59 -0.71 115.11 123.60 3dmc h GLN 15 Ca 0.28 -0.21 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3dmc h GLN 15 Cb 0.16 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 3dmc h GLN 15 CO -0.03 0.87 0.36 0.78 -2.65 0.00 0.00 178.83 178.16 3dmc h GLY 16 N 0.91 0.83 1.66 2.39 0.00 -0.61 -2.33 103.07 105.91 3dmc h GLY 16 Ca 0.20 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 3dmc h GLY 16 CO -0.01 0.24 -0.28 -2.75 0.00 0.00 0.00 176.54 173.75 3dmc h PHE 17 N 0.72 0.44 -0.27 5.60 3.57 0.10 0.20 116.94 127.30 3dmc h PHE 17 Ca 0.23 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3dmc h PHE 17 Cb 0.00 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3dmc h PHE 17 CO -0.05 0.64 0.13 0.93 -2.23 0.00 0.00 178.31 177.72 3dmc h GLU 18 N 0.34 0.26 0.00 1.11 4.39 -0.86 -0.19 114.58 119.63 3dmc h GLU 18 Ca 0.05 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 3dmc h GLU 18 Cb 0.67 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3dmc h GLU 18 CO 0.05 0.17 -0.29 0.74 -1.16 0.00 0.00 179.01 178.52 3dmc h PHE 19 N 0.27 0.00 -0.05 4.33 0.04 -0.86 -1.54 116.94 119.13 3dmc h PHE 19 Ca 0.11 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 3dmc h PHE 19 Cb 0.05 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 3dmc h PHE 19 CO -0.10 0.29 -0.06 0.35 -0.60 0.00 0.00 178.31 178.19 3dmc h PHE 20 N 0.00 0.15 -0.60 -0.55 3.57 -0.72 -0.49 116.94 118.30 3dmc h PHE 20 Ca -0.00 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.56 3dmc h PHE 20 Cb 0.82 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 3dmc h PHE 20 CO 0.00 0.61 0.11 1.15 -2.23 0.00 0.00 178.31 177.95 3dmc h THR 21 N -0.36 0.62 -0.57 4.41 2.02 -0.78 0.29 112.91 118.56 3dmc h THR 21 Ca 0.01 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 3dmc h THR 21 Cb 0.59 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3dmc h THR 21 CO 0.01 0.04 0.06 -0.61 0.37 0.00 0.00 175.52 175.39 3dmc h GLN 22 N 0.24 0.96 -0.46 6.66 4.15 -1.20 -0.58 115.11 124.88 3dmc h GLN 22 Ca 0.31 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3dmc h GLN 22 Cb 0.47 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 3dmc h GLN 22 CO -0.42 0.94 0.29 0.78 -1.93 0.00 0.00 178.83 178.49 3dmc h GLY 23 N 0.85 0.66 1.00 2.39 0.00 -0.41 -0.93 103.07 106.63 3dmc h GLY 23 Ca 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3dmc h GLY 23 CO 0.02 0.25 0.35 1.41 0.00 0.00 0.00 176.54 178.57 3dmc h LEU 24 N 0.62 0.88 -0.44 3.11 3.38 -0.47 0.76 115.31 123.15 3dmc h LEU 24 Ca 0.17 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 3dmc h LEU 24 Cb -0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3dmc h LEU 24 CO -0.03 0.74 -0.78 0.00 0.09 0.00 0.00 178.44 178.46 3dmc h ALA 25 N 1.17 0.71 0.00 1.53 0.00 -0.75 -0.10 119.26 121.82 3dmc h ALA 25 Ca 0.24 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3dmc h ALA 25 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dmc h ALA 25 CO -0.03 0.96 -0.55 0.25 0.00 0.00 0.00 179.25 179.88 3dmc n THR 26 N -3.62 0.00 -0.98 0.00 -2.24 -0.39 -4.11 114.28 102.94 3dmc n THR 26 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3dmc n THR 26 Cb 0.75 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.74 0.56 3.50 3.38 0.00 0.25 -5.00 105.19 109.63 3dmc n GLY 27 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.23 3.29 0.00 1.61 0.41 -1.25 -4.95 118.70 117.57 3dmc s GLU 28 Ca 0.00 -0.78 0.13 0.00 -0.41 0.00 0.00 54.97 53.91 3dmc s GLU 28 Cb 0.00 -3.88 0.08 0.00 -1.78 0.00 0.00 34.13 28.55 3dmc s GLU 28 CO 0.00 -0.57 0.86 0.91 -0.49 0.00 0.00 175.26 175.97 3dmc n TRP 29 N 5.15 0.00 -0.27 1.61 7.02 -1.26 -3.78 117.44 125.91 3dmc n TRP 29 Ca -0.12 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.33 3dmc n TRP 29 Cb 0.49 0.00 0.13 0.00 -2.42 0.00 0.00 31.31 29.50 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 2.27 1.13 -0.62 -0.99 5.75 -1.95 -0.92 115.11 119.78 3dmc h GLN 30 Ca 0.00 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.29 3dmc h GLN 30 Cb 0.51 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 3dmc h GLN 30 CO 0.00 0.86 0.17 0.87 -2.65 0.00 0.00 178.83 178.08 3dmc h LYS 31 N 1.12 0.95 -0.22 1.69 1.57 -1.92 -0.45 116.57 119.32 3dmc h LYS 31 Ca 0.28 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3dmc h LYS 31 Cb 0.09 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3dmc h LYS 31 CO -0.04 0.84 -0.21 0.35 -0.57 0.00 0.00 179.45 179.82 3dmc h PHE 32 N 0.92 0.63 -0.31 -1.35 3.57 -1.62 -3.12 116.94 115.66 3dmc h PHE 32 Ca 0.20 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3dmc h PHE 32 Cb 0.30 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3dmc h PHE 32 CO 0.02 0.87 0.02 -0.07 -2.23 0.00 0.00 178.31 176.92 3dmc h LEU 33 N 0.22 0.44 -3.67 0.59 3.38 -0.76 -3.25 115.31 112.25 3dmc h LEU 33 Ca 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3dmc h LEU 33 Cb 0.75 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3dmc h LEU 33 CO 0.05 0.49 0.01 0.47 0.09 0.00 0.00 178.44 179.56 3dmc n ASP 34 N -4.31 2.49 -1.17 -0.43 8.00 -0.22 -4.79 116.55 116.11 3dmc n ASP 34 Ca 0.01 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.81 3dmc n ASP 34 Cb 0.22 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 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 1.91 -0.54 -4.73 0.64 4.77 -1.23 -5.06 117.00 112.76 3dmc n LEU 36 Ca 0.03 0.78 -0.30 0.00 -0.03 0.00 0.00 56.01 56.49 3dmc n LEU 36 Cb 0.26 -1.94 0.13 0.00 -2.33 0.00 0.00 43.42 39.54 3dmc n LEU 36 CO 0.03 0.07 0.67 0.42 -1.33 0.00 0.00 177.39 177.25 3dmc s THR 37 N -3.30 2.78 0.22 -5.08 -4.23 -0.10 -4.87 115.64 101.06 3dmc s THR 37 Ca 0.00 0.25 0.23 0.00 -1.18 0.00 0.00 61.69 60.99 3dmc s THR 37 Cb 0.00 -2.73 0.21 0.00 1.34 0.00 0.00 72.50 71.32 3dmc s THR 37 CO 0.00 -0.33 1.85 -0.33 -0.54 0.00 0.00 174.62 175.27 3dmc h GLU 38 N -1.47 0.00 -0.51 3.99 4.39 -1.97 -2.04 114.58 116.96 3dmc h GLU 38 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3dmc h GLU 38 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3dmc h GLU 38 CO 0.54 0.25 0.00 -0.40 -1.16 0.00 0.00 179.01 178.24 3dmc n ASP 39 N -3.51 5.35 -4.63 1.42 5.75 -1.26 -4.43 116.55 115.24 3dmc n ASP 39 Ca -0.00 -2.94 -0.46 0.00 -0.01 0.00 0.00 54.79 51.38 3dmc n ASP 39 Cb 0.41 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 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 0.41 1.70 -4.28 2.11 7.35 -0.77 -4.73 117.46 119.26 3dmc n PHE 40 Ca 0.26 0.58 -0.21 0.00 -0.76 0.00 0.00 57.45 57.32 3dmc n PHE 40 Cb 1.13 -2.35 -0.12 0.00 0.35 0.00 0.00 39.48 38.49 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 -0.41 1.59 0.01 -2.13 -4.23 -0.89 -0.23 115.64 109.35 3dmc s THR 41 Ca 0.67 -1.67 -0.02 0.00 -1.18 0.00 0.00 61.69 59.49 3dmc s THR 41 Cb -0.72 -1.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.53 3dmc s THR 41 CO 0.54 -0.24 0.02 0.72 -0.54 0.00 0.00 174.62 175.12 3dmc s PHE 42 N -1.68 0.12 -0.08 3.99 -0.71 -0.30 -1.06 117.98 118.26 3dmc s PHE 42 Ca 0.09 -0.25 0.04 0.00 -1.04 0.00 0.00 56.93 55.77 3dmc s PHE 42 Cb -0.07 -0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.63 3dmc s PHE 42 CO 0.04 -0.15 -0.22 -0.46 -1.34 0.00 0.00 175.22 173.10 3dmc s TRP 43 N -0.93 2.55 0.02 3.49 -0.00 0.04 -0.20 118.94 123.90 3dmc s TRP 43 Ca -0.10 -0.77 0.01 0.00 -0.00 0.00 0.00 56.10 55.24 3dmc s TRP 43 Cb -0.06 -1.67 -0.01 0.00 -0.00 0.00 0.00 33.47 31.72 3dmc s TRP 43 CO -0.00 -0.25 -0.05 0.12 -0.00 0.00 0.00 176.95 176.77 3dmc s PHE 44 N 0.02 0.40 0.02 5.86 5.36 -0.96 -1.86 117.98 126.82 3dmc s PHE 44 Ca -0.08 -0.30 0.28 0.00 -0.96 0.00 0.00 56.93 55.88 3dmc s PHE 44 Cb -0.15 -0.25 1.03 0.00 -0.34 0.00 0.00 43.02 43.31 3dmc s PHE 44 CO 0.05 -0.07 1.86 -1.35 -1.46 0.00 0.00 175.22 174.26 3dmc h PRO 45 N 5.27 0.00 0.00 10.12 0.11 -1.84 -0.31 132.00 145.35 3dmc h PRO 45 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 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 0.45 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.74 3dmc n GLY 47 N 0.27 0.98 0.38 -0.55 0.00 -1.26 -4.63 105.19 100.38 3dmc n GLY 47 Ca 0.01 -0.75 0.15 0.00 0.00 0.00 0.00 46.02 45.43 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 0.62 -0.66 1.61 4.81 -2.05 0.78 114.58 119.69 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 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3dmc h GLU 48 CO 0.00 0.41 0.00 1.19 -0.73 0.00 0.00 179.01 179.88 3dmc n PHE 49 N -4.63 1.30 -1.63 0.92 3.72 -1.26 -4.99 117.46 110.89 3dmc n PHE 49 Ca 0.21 -0.54 -0.41 0.00 -0.05 0.00 0.00 57.45 56.66 3dmc n PHE 49 Cb 0.59 -0.18 0.02 0.00 -0.94 0.00 0.00 39.48 38.97 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 1.16 1.39 -4.24 1.38 -0.00 0.26 -4.02 115.22 111.15 3dmc n HIS 50 Ca 0.24 0.53 0.00 0.00 -0.00 0.00 0.00 57.72 58.49 3dmc n HIS 50 Cb 0.79 -2.26 0.00 0.00 -0.00 0.00 0.00 29.99 28.52 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 1.10 0.16 3.71 1.57 0.00 -0.13 -4.84 105.19 106.76 3dmc n GLY 51 Ca 0.09 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 4.28 -0.03 0.99 2.96 -1.26 -2.27 118.68 123.36 3dmc s LEU 52 Ca 0.00 1.15 0.07 0.00 -0.22 0.00 0.00 54.13 55.13 3dmc s LEU 52 Cb 0.00 -3.08 -0.02 0.00 0.50 0.00 0.00 46.19 43.60 3dmc s LEU 52 CO 0.00 -0.16 -0.24 0.20 -1.32 0.00 0.00 176.35 174.82 3dmc s ASN 53 N 0.88 2.90 -0.12 3.68 0.01 0.71 -4.99 114.94 118.02 3dmc s ASN 53 Ca 0.37 -0.46 0.03 0.00 -0.71 0.00 0.00 52.86 52.09 3dmc s ASN 53 Cb -0.17 -0.45 0.00 0.00 0.41 0.00 0.00 41.25 41.04 3dmc s ASN 53 CO 0.17 0.28 -0.23 -0.69 -1.51 0.00 0.00 177.10 175.12 3dmc s VAL 54 N -0.46 2.07 0.00 1.60 1.01 -1.26 -1.15 120.40 122.21 3dmc s VAL 54 Ca 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3dmc s VAL 54 Cb -0.11 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.47 3dmc s VAL 54 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3dmc n GLY 55 N 3.73 0.98 0.17 4.51 0.00 0.68 -4.52 105.19 110.74 3dmc n GLY 55 Ca -0.19 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.13 1.61 1.57 -1.80 -1.87 116.57 115.95 3dmc h LYS 56 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 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 0.46 0.00 0.93 -0.57 0.00 0.00 179.45 180.27 3dmc h GLU 57 N 0.00 0.23 -0.66 3.15 3.07 -1.96 -0.97 114.58 117.44 3dmc h GLU 57 Ca -0.00 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.74 3dmc h GLU 57 Cb 1.07 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.93 3dmc h GLU 57 CO 0.06 0.47 0.25 -0.09 -1.40 0.00 0.00 179.01 178.30 3dmc h ARG 58 N -0.04 0.97 -0.41 2.33 9.65 -1.78 -1.64 114.38 123.46 3dmc h ARG 58 Ca 0.04 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 3dmc h ARG 58 Cb 0.36 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 3dmc h ARG 58 CO 0.01 0.80 0.26 0.00 2.80 0.00 0.00 179.97 183.84 3dmc h ALA 59 N 1.32 0.53 -0.74 2.80 0.00 -1.06 -0.40 119.26 121.71 3dmc h ALA 59 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3dmc h ALA 59 Cb 0.20 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3dmc h ALA 59 CO -0.02 -0.00 0.46 -0.22 0.00 0.00 0.00 179.25 179.47 3dmc h LYS 60 N 0.55 0.98 -0.00 0.00 3.64 -0.84 0.42 116.57 121.33 3dmc h LYS 60 Ca 0.15 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3dmc h LYS 60 Cb -0.03 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.57 3dmc h LYS 60 CO -0.03 0.67 -0.00 0.93 -2.27 0.00 0.00 179.45 178.75 3dmc h GLU 61 N 1.01 -0.01 0.20 1.90 5.08 -0.69 -1.16 114.58 120.91 3dmc h GLU 61 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3dmc h GLU 61 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3dmc h GLU 61 CO -0.05 -0.00 -0.09 0.35 -1.00 0.00 0.00 179.01 178.21 3dmc h PHE 62 N -0.01 -0.24 -0.26 4.33 3.57 0.05 -1.63 116.94 122.75 3dmc h PHE 62 Ca 0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 3dmc h PHE 62 Cb 0.01 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3dmc h PHE 62 CO -0.08 -0.14 -0.31 0.74 -2.23 0.00 0.00 178.31 176.28 3dmc h PHE 63 N -0.27 0.61 -0.57 0.41 0.04 -0.85 0.93 116.94 117.25 3dmc h PHE 63 Ca -0.03 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.54 3dmc h PHE 63 Cb 0.21 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 3dmc h PHE 63 CO -0.06 0.78 0.14 1.15 -0.60 0.00 0.00 178.31 179.73 3dmc h THR 64 N 0.46 1.23 -0.29 -1.55 2.02 -1.10 -2.30 112.91 111.38 3dmc h THR 64 Ca 0.06 -0.83 -0.18 0.00 0.77 0.00 0.00 66.41 66.23 3dmc h THR 64 Cb 0.77 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3dmc h THR 64 CO 0.06 0.31 -0.51 0.22 0.37 0.00 0.00 175.52 175.97 3dmc h TYR 65 N 0.84 1.02 -0.61 3.16 3.20 -0.18 -1.39 116.97 123.02 3dmc h TYR 65 Ca 0.18 -0.35 0.05 0.00 3.14 0.00 0.00 58.73 61.75 3dmc h TYR 65 Cb 0.30 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 3dmc h TYR 65 CO 0.02 1.16 0.34 0.28 -1.64 0.00 0.00 178.16 178.32 3dmc h VAL 66 N 0.64 0.99 0.00 1.81 2.07 -0.46 -2.71 116.25 118.59 3dmc h VAL 66 Ca 0.02 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3dmc h VAL 66 Cb 1.11 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3dmc h VAL 66 CO 0.11 0.12 -0.27 -1.20 0.02 0.00 0.00 177.57 176.35 3dmc n SER 67 N -4.80 0.68 0.21 0.57 7.64 -0.90 -4.10 113.62 112.92 3dmc n SER 67 Ca 0.07 0.35 0.06 0.00 1.01 0.00 0.00 58.87 60.35 3dmc n SER 67 Cb 0.14 -0.34 0.54 0.00 -1.01 0.00 0.00 64.21 63.55 3dmc n SER 67 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 3dmc h GLU 68 N 0.00 0.08 -0.04 1.43 4.11 -0.92 -2.33 114.58 116.91 3dmc h GLU 68 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3dmc h GLU 68 Cb 0.71 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3dmc h GLU 68 CO 0.00 0.14 0.00 0.43 0.07 0.00 0.00 179.01 179.65 3dmc n SER 69 N -4.43 2.09 -4.28 3.06 7.64 -1.26 -4.70 113.62 111.74 3dmc n SER 69 Ca -0.02 -1.54 -0.44 0.00 1.01 0.00 0.00 58.87 57.88 3dmc n SER 69 Cb 0.16 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.02 3.89 0.38 1.43 0.40 -0.88 -1.34 117.98 120.84 3dmc s PHE 70 Ca 0.15 -2.41 0.39 0.00 -0.60 0.00 0.00 56.93 54.46 3dmc s PHE 70 Cb 0.10 -3.68 1.96 0.00 0.51 0.00 0.00 43.02 41.91 3dmc s PHE 70 CO 0.16 -0.93 2.18 0.45 0.70 0.00 0.00 175.22 177.77 3dmc h HIS 71 N 7.16 0.00 0.00 0.36 3.86 -1.79 -0.75 115.15 123.99 3dmc h HIS 71 Ca 0.12 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3dmc h HIS 71 Cb 0.95 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.38 3dmc h HIS 71 CO 0.88 0.00 -0.36 0.25 0.86 0.00 0.00 177.93 179.56 3dmc n THR 72 N -2.98 1.29 -0.04 2.45 -2.24 -1.26 -5.12 114.28 106.37 3dmc n THR 72 Ca -0.02 -1.80 0.01 0.00 -2.27 0.00 0.00 64.05 59.97 3dmc n THR 72 Cb 0.15 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 -0.79 -1.31 3.38 3.38 0.00 -0.29 -4.90 105.19 104.66 3dmc n GLY 73 Ca 0.12 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.07 2.82 -0.06 -0.61 1.01 -0.05 -4.05 121.20 119.19 3dmc s ILE 74 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 3dmc s ILE 74 Cb 0.00 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3dmc s ILE 74 CO 0.00 0.56 0.12 -1.10 0.00 0.00 0.00 174.94 174.52 3dmc s GLN 75 N -0.11 3.29 -0.54 2.79 -1.52 0.67 -2.93 119.66 121.32 3dmc s GLN 75 Ca -0.02 -0.29 -0.23 0.00 -1.95 0.00 0.00 55.36 52.86 3dmc s GLN 75 Cb -0.14 -3.04 0.04 0.00 -0.22 0.00 0.00 33.01 29.66 3dmc s GLN 75 CO 0.04 0.72 0.87 0.42 -0.25 0.00 0.00 175.29 177.08 3dmc s ILE 76 N -1.11 4.50 0.15 1.08 -1.09 -1.26 -0.88 121.20 122.60 3dmc s ILE 76 Ca 0.19 0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.64 3dmc s ILE 76 Cb -0.12 -4.48 -0.06 0.00 -1.58 0.00 0.00 42.46 36.22 3dmc s ILE 76 CO 0.09 -1.03 1.46 0.28 -1.23 0.00 0.00 174.94 174.51 3dmc h SER 77 N 9.23 0.88 -4.06 3.58 0.02 -0.94 -3.46 113.55 118.80 3dmc h SER 77 Ca -0.26 -0.45 -0.08 0.00 -0.84 0.00 0.00 61.79 60.16 3dmc h SER 77 Cb 1.08 -0.25 -0.22 0.00 0.14 0.00 0.00 62.40 63.15 3dmc h SER 77 CO 1.06 1.22 -0.03 -0.94 -1.14 0.00 0.00 176.83 177.00 3dmc s SER 78 N -6.91 -0.59 -0.36 3.07 1.04 -1.14 -5.00 113.70 103.81 3dmc s SER 78 Ca -0.10 1.09 -0.05 0.00 0.48 0.00 0.00 55.95 57.37 3dmc s SER 78 Cb 0.11 1.11 0.06 0.00 0.10 0.00 0.00 66.02 67.40 3dmc s SER 78 CO 0.87 -0.24 0.14 -0.22 0.98 0.00 0.00 173.24 174.77 3dmc s LEU 79 N 0.15 4.60 -0.23 2.42 2.96 -1.26 -0.89 118.68 126.42 3dmc s LEU 79 Ca -0.01 -1.41 0.05 0.00 -0.22 0.00 0.00 54.13 52.53 3dmc s LEU 79 Cb -0.04 -1.86 -0.20 0.00 0.50 0.00 0.00 46.19 44.60 3dmc s LEU 79 CO 0.02 -0.40 -0.09 0.47 -1.32 0.00 0.00 176.35 175.03 3dmc n ASP 80 N 4.76 1.56 -3.76 3.68 8.00 -0.13 -4.95 116.55 125.70 3dmc n ASP 80 Ca -0.10 -0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.21 3dmc n ASP 80 Cb 0.43 -0.15 -0.13 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.20 -0.13 -1.24 0.52 -1.05 -5.02 118.95 109.71 3dmc s ARG 81 Ca -0.28 0.42 -0.00 0.00 -0.52 0.00 0.00 55.73 55.34 3dmc s ARG 81 Cb 0.08 -0.05 0.03 0.00 0.52 0.00 0.00 34.95 35.53 3dmc s ARG 81 CO 0.67 -0.12 -0.07 0.08 0.02 0.00 0.00 175.30 175.88 3dmc s VAL 82 N 0.85 1.09 0.20 3.52 1.01 -1.26 -0.56 120.40 125.25 3dmc s VAL 82 Ca -0.06 -0.42 0.11 0.00 0.00 0.00 0.00 61.98 61.61 3dmc s VAL 82 Cb -0.07 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3dmc s VAL 82 CO -0.05 0.30 -0.22 0.42 0.00 0.00 0.00 175.10 175.55 3dmc s THR 83 N 1.67 2.23 0.28 3.92 -4.23 -0.30 -4.97 115.64 114.25 3dmc s THR 83 Ca 0.04 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 3dmc s THR 83 Cb -0.13 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.63 3dmc s THR 83 CO -0.08 -0.22 0.52 -0.94 -0.54 0.00 0.00 174.62 173.36 3dmc s SER 84 N -2.82 0.11 0.00 3.99 1.04 -1.26 -0.65 113.70 114.11 3dmc s SER 84 Ca 0.21 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.59 3dmc s SER 84 Cb -0.07 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3dmc s SER 84 CO 0.10 -1.24 0.00 -0.46 0.98 0.00 0.00 173.24 172.62 3dmc n ASN 85 N -0.70 0.00 0.15 7.02 0.23 -0.29 -1.15 115.26 120.52 3dmc n ASN 85 Ca -0.02 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.08 3dmc n ASN 85 Cb 0.61 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.80 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 0.19 0.00 -3.83 5.08 -2.02 -3.36 114.58 110.64 3dmc h GLU 86 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dmc h GLU 86 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3dmc h GLU 86 CO 0.00 0.23 -0.35 0.25 -1.00 0.00 0.00 179.01 178.14 3dmc n THR 87 N -4.40 0.00 -4.92 1.13 -2.24 -1.26 -4.73 114.28 97.87 3dmc n THR 87 Ca -0.01 -0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 3dmc n THR 87 Cb 0.17 0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.53 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 -0.74 1.99 -0.03 4.28 2.01 -1.26 -0.38 115.64 121.51 3dmc s THR 88 Ca 0.00 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 60.75 3dmc s THR 88 Cb 0.00 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.82 3dmc s THR 88 CO 0.00 0.37 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.51 3dmc s VAL 89 N -0.75 0.88 -0.09 3.82 1.01 0.03 -1.14 120.40 124.15 3dmc s VAL 89 Ca 0.10 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3dmc s VAL 89 Cb -0.10 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 3dmc s VAL 89 CO 0.01 0.27 -0.18 -0.69 0.00 0.00 0.00 175.10 174.52 3dmc s VAL 90 N 0.19 2.68 -0.23 2.92 1.01 0.18 -0.54 120.40 126.60 3dmc s VAL 90 Ca -0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3dmc s VAL 90 Cb -0.09 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3dmc s VAL 90 CO 0.01 0.55 0.01 -0.36 0.00 0.00 0.00 175.10 175.31 3dmc s PHE 91 N 0.02 3.02 -0.25 5.22 0.40 0.12 -1.15 117.98 125.36 3dmc s PHE 91 Ca -0.06 -0.71 -0.08 0.00 -0.60 0.00 0.00 56.93 55.48 3dmc s PHE 91 Cb -0.15 -2.17 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 3dmc s PHE 91 CO 0.05 -0.46 0.08 -1.21 0.70 0.00 0.00 175.22 174.38 3dmc s GLU 92 N 1.54 3.69 0.17 0.44 2.02 0.27 -1.58 118.70 125.25 3dmc s GLU 92 Ca 0.06 -0.46 -0.03 0.00 0.02 0.00 0.00 54.97 54.56 3dmc s GLU 92 Cb -0.15 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 3dmc s GLU 92 CO -0.00 -0.19 0.16 -0.59 0.02 0.00 0.00 175.26 174.66 3dmc s PHE 93 N 1.63 0.85 -0.06 1.61 -0.71 -0.27 -0.95 117.98 120.08 3dmc s PHE 93 Ca 0.06 -1.16 0.05 0.00 -1.04 0.00 0.00 56.93 54.84 3dmc s PHE 93 Cb -0.15 -0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 41.26 3dmc s PHE 93 CO 0.05 -0.65 -0.19 1.03 -1.34 0.00 0.00 175.22 174.12 3dmc s ARG 94 N -4.07 2.57 0.20 1.99 0.52 -0.07 -0.87 118.95 119.21 3dmc s ARG 94 Ca 0.29 -0.79 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 3dmc s ARG 94 Cb 0.06 -2.30 -0.05 0.00 0.52 0.00 0.00 34.95 33.18 3dmc s ARG 94 CO 0.06 0.49 0.06 0.16 0.02 0.00 0.00 175.30 176.09 3dmc s ASP 95 N -0.40 0.91 -0.20 0.23 1.47 -0.44 -0.22 116.67 118.02 3dmc s ASP 95 Ca 0.04 -1.28 -0.28 0.00 1.18 0.00 0.00 52.55 52.21 3dmc s ASP 95 Cb -0.12 0.20 0.10 0.00 -0.34 0.00 0.00 42.92 42.76 3dmc s ASP 95 CO 0.02 -0.69 0.90 -1.83 0.68 0.00 0.00 175.17 174.25 3dmc s GLU 96 N -4.01 0.70 -0.12 2.11 -1.05 -0.05 -1.30 118.70 114.97 3dmc s GLU 96 Ca 0.31 0.49 -0.33 0.00 -0.15 0.00 0.00 54.97 55.29 3dmc s GLU 96 Cb 0.07 0.33 0.13 0.00 -0.44 0.00 0.00 34.13 34.22 3dmc s GLU 96 CO 0.08 -0.15 1.19 0.20 0.95 0.00 0.00 175.26 177.53 3dmc s GLY 97 N -0.37 -0.34 -0.27 -3.83 0.00 -0.13 -0.23 107.32 102.16 3dmc s GLY 97 Ca -0.01 1.26 -0.24 0.00 0.00 0.00 0.00 44.72 45.73 3dmc s GLY 97 CO 0.00 0.39 0.80 1.08 0.00 0.00 0.00 173.10 175.38 3dmc s LEU 98 N -2.43 4.08 -0.62 0.66 1.43 -1.26 -0.85 118.68 119.68 3dmc s LEU 98 Ca 0.10 0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 53.88 3dmc s LEU 98 Cb 0.00 -3.12 0.10 0.00 0.03 0.00 0.00 46.19 43.20 3dmc s LEU 98 CO -0.05 -0.54 0.78 0.12 0.23 0.00 0.00 176.35 176.89 3dmc s PHE 99 N 2.87 2.93 -1.45 0.29 5.36 0.20 -4.06 117.98 124.12 3dmc s PHE 99 Ca 0.33 -0.89 -0.01 0.00 -0.96 0.00 0.00 56.93 55.40 3dmc s PHE 99 Cb -0.15 -4.09 0.01 0.00 -0.34 0.00 0.00 43.02 38.45 3dmc s PHE 99 CO 0.09 -1.38 0.36 1.28 -1.46 0.00 0.00 175.22 174.11 3dmc n LEU 100 N 6.63 -1.98 0.00 6.12 4.77 -0.45 -1.02 117.00 131.07 3dmc n LEU 100 Ca -0.07 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 3dmc n LEU 100 Cb 0.43 -2.11 0.00 0.00 -2.33 0.00 0.00 43.42 39.41 3dmc n LEU 100 CO 0.59 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 3dmc n GLY 101 N -2.06 1.22 3.72 -0.72 0.00 -1.26 -5.01 105.19 101.08 3dmc n GLY 101 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.01 3.26 -0.25 1.61 1.02 -0.19 -4.97 119.74 120.20 3dmc s LYS 102 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.37 3dmc s LYS 102 Cb 0.00 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.33 3dmc s LYS 102 CO 0.00 0.65 1.56 -1.25 -0.92 0.00 0.00 175.35 175.39 3dmc s PRO 103 N -0.72 3.78 -0.20 -1.68 0.04 -1.26 0.58 135.00 135.54 3dmc s PRO 103 Ca 0.12 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 3dmc s PRO 103 Cb -0.12 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 3dmc s PRO 103 CO 0.02 -1.31 0.06 -0.47 0.04 0.00 0.00 177.00 175.34 3dmc s TYR 104 N 5.15 3.18 0.00 0.56 5.04 -0.03 -4.76 117.35 126.49 3dmc s TYR 104 Ca 0.69 -0.09 0.02 0.00 -2.44 0.00 0.00 57.07 55.24 3dmc s TYR 104 Cb -0.23 -2.11 -0.01 0.00 0.35 0.00 0.00 41.96 39.96 3dmc s TYR 104 CO 0.28 -0.01 -0.07 0.15 -1.34 0.00 0.00 175.55 174.57 3dmc s LYS 105 N 0.72 0.54 0.23 4.97 1.02 -0.37 -0.95 119.74 125.91 3dmc s LYS 105 Ca 0.03 -0.32 -0.14 0.00 0.02 0.00 0.00 55.97 55.56 3dmc s LYS 105 Cb -0.13 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.68 3dmc s LYS 105 CO 0.02 0.13 0.49 1.21 -0.92 0.00 0.00 175.35 176.29 3dmc s ASN 106 N -0.37 -0.13 -0.11 2.83 3.84 -0.42 -2.19 114.94 118.39 3dmc s ASN 106 Ca 0.01 -0.79 -0.01 0.00 0.21 0.00 0.00 52.86 52.27 3dmc s ASN 106 Cb -0.04 0.59 -0.03 0.00 -0.55 0.00 0.00 41.25 41.22 3dmc s ASN 106 CO -0.00 -1.12 -0.06 -0.13 -2.79 0.00 0.00 177.10 172.99 3dmc s ARG 107 N -3.97 3.23 0.02 0.43 0.52 -1.26 -1.32 118.95 116.59 3dmc s ARG 107 Ca 0.18 -0.56 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 3dmc s ARG 107 Cb -0.01 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 3dmc s ARG 107 CO 0.05 0.42 -0.05 0.08 0.02 0.00 0.00 175.30 175.83 3dmc s VAL 108 N -0.15 0.33 -0.13 3.52 1.01 -0.05 -0.22 120.40 124.69 3dmc s VAL 108 Ca 0.02 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3dmc s VAL 108 Cb -0.13 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.89 3dmc s VAL 108 CO 0.03 -0.23 -0.19 0.00 0.00 0.00 0.00 175.10 174.71 3dmc s ALA 109 N -0.87 2.02 -0.14 5.51 0.00 -0.51 -1.11 121.76 126.66 3dmc s ALA 109 Ca -0.07 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 3dmc s ALA 109 Cb -0.06 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 3dmc s ALA 109 CO -0.00 -0.11 -0.10 0.08 0.00 0.00 0.00 175.76 175.63 3dmc s VAL 110 N 0.99 3.35 -0.15 0.00 1.01 -0.62 -0.38 120.40 124.61 3dmc s VAL 110 Ca -0.05 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 3dmc s VAL 110 Cb -0.15 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3dmc s VAL 110 CO -0.04 0.51 -0.14 -0.55 0.00 0.00 0.00 175.10 174.89 3dmc s SER 111 N 0.35 3.82 -0.05 3.32 0.15 0.36 -0.70 113.70 120.96 3dmc s SER 111 Ca -0.09 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.19 3dmc s SER 111 Cb -0.15 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 3dmc s SER 111 CO 0.05 0.12 -0.12 -0.36 1.20 0.00 0.00 173.24 174.12 3dmc s PHE 112 N 0.64 2.76 -0.09 3.44 0.08 0.30 -0.87 117.98 124.24 3dmc s PHE 112 Ca -0.08 -0.11 -0.05 0.00 0.12 0.00 0.00 56.93 56.82 3dmc s PHE 112 Cb -0.16 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 3dmc s PHE 112 CO 0.03 0.23 0.10 -0.51 -0.10 0.00 0.00 175.22 174.97 3dmc s ASP 113 N -0.79 6.01 -0.09 1.36 1.11 -0.77 -0.79 116.67 122.71 3dmc s ASP 113 Ca 0.12 0.34 -0.00 0.00 0.18 0.00 0.00 52.55 53.18 3dmc s ASP 113 Cb -0.11 -1.86 -0.03 0.00 1.07 0.00 0.00 42.92 42.00 3dmc s ASP 113 CO 0.01 0.37 -0.06 -0.69 1.18 0.00 0.00 175.17 175.98 3dmc s VAL 114 N -1.04 3.71 -0.23 -1.27 1.01 0.49 -0.89 120.40 122.18 3dmc s VAL 114 Ca 0.17 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 3dmc s VAL 114 Cb -0.12 -2.55 0.07 0.00 0.00 0.00 0.00 36.38 33.79 3dmc s VAL 114 CO 0.06 0.57 0.03 -0.60 0.00 0.00 0.00 175.10 175.16 3dmc s ARG 115 N -0.47 0.88 7.50 2.72 3.52 0.61 -4.88 118.95 128.83 3dmc s ARG 115 Ca 0.07 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 3dmc s ARG 115 Cb -0.12 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 3dmc s ARG 115 CO 0.02 -0.73 0.00 0.41 -0.81 0.00 0.00 175.30 174.20 3dmc n GLY 116 N 4.91 3.54 1.60 8.12 0.00 -1.26 -1.69 105.19 120.41 3dmc n GLY 116 Ca -0.08 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 9.72 5.04 -4.10 1.61 5.75 -1.26 -4.91 116.55 128.40 3dmc n ASP 117 Ca 0.00 -2.74 -0.15 0.00 -0.01 0.00 0.00 54.79 51.89 3dmc n ASP 117 Cb 0.00 -0.61 -0.10 0.00 -1.03 0.00 0.00 41.12 39.38 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 -2.39 1.39 -0.16 0.11 1.02 -0.68 -4.99 119.74 114.03 3dmc s LYS 118 Ca 0.51 -1.76 -0.04 0.00 0.02 0.00 0.00 55.97 54.70 3dmc s LYS 118 Cb 0.37 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.73 3dmc s LYS 118 CO 0.18 -0.41 -0.03 0.42 -0.92 0.00 0.00 175.35 174.60 3dmc s ILE 119 N -3.88 3.96 -0.42 2.17 1.01 -1.26 -0.28 121.20 122.49 3dmc s ILE 119 Ca 0.38 -0.33 0.10 0.00 0.00 0.00 0.00 60.65 60.80 3dmc s ILE 119 Cb 0.06 -2.75 -0.12 0.00 0.01 0.00 0.00 42.46 39.67 3dmc s ILE 119 CO 0.15 0.48 0.41 0.00 0.00 0.00 0.00 174.94 175.98 3dmc s SER 121 N -2.12 -0.48 -0.02 0.00 1.04 -1.23 -2.08 113.70 108.82 3dmc s SER 121 Ca 0.03 0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.56 3dmc s SER 121 Cb 0.08 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.73 3dmc s SER 121 CO 0.42 -0.80 0.05 -0.47 0.98 0.00 0.00 173.24 173.41 3dmc s TYR 122 N -2.89 -0.04 -0.03 5.02 6.14 -0.23 -1.84 117.35 123.48 3dmc s TYR 122 Ca -0.03 0.11 -0.00 0.00 0.64 0.00 0.00 57.07 57.79 3dmc s TYR 122 Cb -0.00 0.01 0.03 0.00 0.42 0.00 0.00 41.96 42.42 3dmc s TYR 122 CO -0.05 -0.03 0.02 1.03 0.64 0.00 0.00 175.55 177.15 3dmc s ARG 123 N -0.04 0.12 -0.08 4.97 0.52 -0.05 -0.78 118.95 123.62 3dmc s ARG 123 Ca -0.01 0.16 0.01 0.00 -0.52 0.00 0.00 55.73 55.37 3dmc s ARG 123 Cb -0.01 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 35.04 3dmc s ARG 123 CO 0.00 -0.18 -0.09 -2.00 0.02 0.00 0.00 175.30 173.05 3dmc s GLU 124 N 1.21 2.84 0.01 3.54 2.12 -0.78 -0.48 118.70 127.16 3dmc s GLU 124 Ca -0.07 -0.59 0.04 0.00 0.36 0.00 0.00 54.97 54.71 3dmc s GLU 124 Cb -0.13 -2.57 -0.01 0.00 0.26 0.00 0.00 34.13 31.67 3dmc s GLU 124 CO -0.03 0.57 -0.14 0.71 -0.54 0.00 0.00 175.26 175.84 3dmc s TYR 125 N -0.57 1.24 -0.15 5.30 1.51 0.49 -4.37 117.35 120.80 3dmc s TYR 125 Ca 0.08 -0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 55.73 3dmc s TYR 125 Cb -0.12 -0.77 -0.05 0.00 -0.11 0.00 0.00 41.96 40.91 3dmc s TYR 125 CO 0.02 -0.00 0.31 -0.06 -1.11 0.00 0.00 175.55 174.71 3dmc s PHE 126 N -0.50 3.48 -0.35 2.71 0.08 -1.26 -1.43 117.98 120.72 3dmc s PHE 126 Ca 0.04 0.64 0.04 0.00 0.12 0.00 0.00 56.93 57.77 3dmc s PHE 126 Cb -0.06 -2.35 -0.01 0.00 -0.57 0.00 0.00 43.02 40.03 3dmc s PHE 126 CO 0.00 0.26 0.36 0.41 -0.10 0.00 0.00 175.22 176.15 3dmc n GLY 127 N 3.29 -0.03 0.00 4.36 0.00 0.69 -4.97 105.19 108.53 3dmc n GLY 127 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.56 0.08 -0.50 1.61 2.88 -1.22 -4.75 113.62 111.17 3dmc n SER 128 Ca 0.02 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.60 3dmc n SER 128 Cb 0.08 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.66 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 2.70 0.00 -3.46 5.68 -1.26 -4.87 116.55 115.34 3dmc n ASP 129 Ca 0.00 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 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 0.30 0.88 0.00 6.12 0.00 -1.14 -4.77 105.19 106.58 3dmc n GLY 130 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 5.08 -3.46 1.61 5.02 -0.93 -1.23 118.16 122.24 3dmc n LYS 131 Ca 0.00 -0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3dmc n LYS 131 Cb 0.00 -0.75 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.52 -0.56 0.00 4.39 1.04 -1.11 -4.65 113.70 111.29 3dmc s SER 132 Ca 0.01 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.65 3dmc s SER 132 Cb 0.03 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.70 3dmc s SER 132 CO 0.19 -0.82 0.00 -0.46 0.98 0.00 0.00 173.24 173.13