#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cdn s SER 2 N 0.00 6.75 0.37 4.39 1.04 -1.26 -4.89 113.70 120.10 1cdn s SER 2 Ca 0.00 1.60 0.17 0.00 0.48 0.00 0.00 55.95 58.20 1cdn s SER 2 Cb 0.00 -2.51 1.08 0.00 0.10 0.00 0.00 66.02 64.69 1cdn s SER 2 CO 0.00 -0.49 1.72 -0.65 0.98 0.00 0.00 173.24 174.80 1cdn h PRO 3 N 1.34 0.38 -0.11 4.02 0.11 -1.97 0.95 132.00 136.71 1cdn h PRO 3 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1cdn h PRO 3 Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1cdn h PRO 3 CO 0.61 0.25 0.05 0.93 -0.21 0.00 0.00 178.00 179.64 1cdn h GLU 4 N 0.39 0.16 -0.55 1.05 3.07 -1.98 0.29 114.58 117.02 1cdn h GLU 4 Ca 0.67 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 1cdn h GLU 4 Cb 1.60 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.46 1cdn h GLU 4 CO -0.42 0.24 0.35 1.49 -1.40 0.00 0.00 179.01 179.27 1cdn h GLU 5 N 0.05 0.73 -0.68 2.33 4.22 -1.48 -0.20 114.58 119.55 1cdn h GLU 5 Ca 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1cdn h GLU 5 Cb 0.13 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1cdn h GLU 5 CO -0.00 0.50 0.39 -0.07 -2.18 0.00 0.00 179.01 177.65 1cdn h LEU 6 N 0.74 0.82 -0.29 1.64 3.38 -0.71 0.63 115.31 121.53 1cdn h LEU 6 Ca 0.20 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1cdn h LEU 6 Cb -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1cdn h LEU 6 CO -0.04 0.65 0.16 0.50 0.09 0.00 0.00 178.44 179.80 1cdn h LYS 7 N 0.94 0.33 -0.20 1.13 1.63 0.31 0.23 116.57 120.94 1cdn h LYS 7 Ca 0.24 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.08 1cdn h LYS 7 Cb -0.01 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.48 1cdn h LYS 7 CO -0.04 0.22 -0.29 0.78 -3.45 0.00 0.00 179.45 176.66 1cdn h GLY 8 N 0.34 -0.31 0.47 5.01 0.00 0.30 0.20 103.07 109.07 1cdn h GLY 8 Ca 0.11 0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.81 1cdn h GLY 8 CO -0.06 -0.21 -0.34 -2.22 0.00 0.00 0.00 176.54 173.71 1cdn h ILE 9 N -0.32 0.28 -0.55 2.60 1.08 -0.79 0.65 117.51 120.46 1cdn h ILE 9 Ca 0.12 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.70 1cdn h ILE 9 Cb 0.51 0.28 -0.10 0.00 -3.07 0.00 0.00 36.82 34.44 1cdn h ILE 9 CO -0.38 0.00 -0.08 0.15 -0.69 0.00 0.00 178.15 177.15 1cdn h PHE 10 N -0.61 -0.19 -0.10 1.37 3.04 0.05 -1.26 116.94 119.24 1cdn h PHE 10 Ca 0.01 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1cdn h PHE 10 Cb 0.61 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.29 1cdn h PHE 10 CO -0.28 -0.20 0.04 0.93 -2.02 0.00 0.00 178.31 176.78 1cdn h GLU 11 N 0.04 0.15 -0.74 1.11 5.08 -0.29 0.18 114.58 120.11 1cdn h GLU 11 Ca 0.28 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.75 1cdn h GLU 11 Cb 0.43 -0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.52 1cdn h GLU 11 CO -0.53 0.27 -0.26 -0.22 -1.00 0.00 0.00 179.01 177.26 1cdn h LYS 12 N -0.00 -0.05 0.21 2.33 3.64 0.22 0.20 116.57 123.12 1cdn h LYS 12 Ca 0.03 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.09 1cdn h LYS 12 Cb 0.18 0.01 0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1cdn h LYS 12 CO -0.00 -0.04 -1.45 1.88 -2.27 0.00 0.00 179.45 177.57 1cdn h TYR 13 N -0.06 0.83 0.15 1.91 0.05 -1.13 -3.33 116.97 115.38 1cdn h TYR 13 Ca 0.32 -0.60 -0.01 0.00 0.05 0.00 0.00 58.73 58.49 1cdn h TYR 13 Cb 0.57 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.27 1cdn h TYR 13 CO -0.65 1.50 -0.07 0.00 -1.05 0.00 0.00 178.16 177.89 1cdn h ALA 14 N 0.27 -0.20 -0.02 3.88 0.00 -0.20 -3.14 119.26 119.86 1cdn h ALA 14 Ca -0.24 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1cdn h ALA 14 Cb 2.11 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 1cdn h ALA 14 CO 0.25 -0.38 0.23 0.00 0.00 0.00 0.00 179.25 179.34 1cdn h ALA 15 N 0.09 1.29 -0.36 0.00 0.00 -0.73 0.17 119.26 119.71 1cdn h ALA 15 Ca -0.02 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1cdn h ALA 15 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1cdn h ALA 15 CO 0.03 -0.24 0.26 -0.22 0.00 0.00 0.00 179.25 179.08 1cdn h LYS 16 N 0.00 0.03 0.00 0.00 3.64 -1.65 -3.41 116.57 115.18 1cdn h LYS 16 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1cdn h LYS 16 Cb 0.48 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1cdn h LYS 16 CO -0.00 0.02 0.00 -1.91 -2.27 0.00 0.00 179.45 175.29 1cdn n GLU 17 N -4.44 0.00 -1.47 1.90 4.07 -0.66 -5.14 120.64 114.90 1cdn n GLU 17 Ca 0.06 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.86 1cdn n GLU 17 Cb 0.42 -0.05 0.20 0.00 -0.06 0.00 0.00 31.44 31.95 1cdn n GLU 17 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1cdn s GLY 18 N -2.18 1.65 0.36 8.31 0.00 0.50 -5.01 107.32 110.94 1cdn s GLY 18 Ca 0.00 -0.92 -0.28 0.00 0.00 0.00 0.00 44.72 43.52 1cdn s GLY 18 CO 0.00 -0.16 1.41 -0.35 0.00 0.00 0.00 173.10 174.00 1cdn s ASP 19 N -4.24 6.53 0.62 1.64 -1.08 -1.25 -3.94 116.67 114.95 1cdn s ASP 19 Ca 0.70 2.89 0.27 0.00 -0.52 0.00 0.00 52.55 55.89 1cdn s ASP 19 Cb -0.09 -2.66 1.38 0.00 -1.46 0.00 0.00 42.92 40.09 1cdn s ASP 19 CO 0.54 -0.73 1.79 1.55 0.52 0.00 0.00 175.17 178.85 1cdn h PRO 20 N 3.19 0.00 -0.02 4.34 0.13 -1.91 0.56 132.00 138.29 1cdn h PRO 20 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1cdn h PRO 20 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1cdn h PRO 20 CO 0.65 0.00 -0.10 0.09 -0.23 0.00 0.00 178.00 178.41 1cdn n ASN 21 N -3.34 2.29 -3.64 1.44 3.02 -1.26 -4.16 115.26 109.61 1cdn n ASN 21 Ca 0.06 -1.70 -0.20 0.00 -0.03 0.00 0.00 54.58 52.71 1cdn n ASN 21 Cb 0.69 0.09 -0.17 0.00 -0.61 0.00 0.00 39.78 39.78 1cdn n ASN 21 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1cdn s GLN 22 N -2.12 0.01 -0.00 3.52 0.74 0.19 -0.64 119.66 121.36 1cdn s GLN 22 Ca 0.29 0.32 -0.18 0.00 0.05 0.00 0.00 55.36 55.84 1cdn s GLN 22 Cb 0.20 -0.78 -0.06 0.00 1.10 0.00 0.00 33.01 33.47 1cdn s GLN 22 CO 0.37 -0.42 0.52 -0.51 -0.55 0.00 0.00 175.29 174.70 1cdn s LEU 23 N 2.22 4.44 0.80 3.68 1.43 0.39 -3.74 118.68 127.89 1cdn s LEU 23 Ca 0.04 1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 54.10 1cdn s LEU 23 Cb -0.13 -2.79 0.07 0.00 0.03 0.00 0.00 46.19 43.37 1cdn s LEU 23 CO -0.06 0.19 1.14 -0.94 0.23 0.00 0.00 176.35 176.91 1cdn s SER 24 N -0.52 4.55 0.31 2.29 1.04 -1.26 -1.02 113.70 119.08 1cdn s SER 24 Ca 0.28 0.96 -0.01 0.00 0.48 0.00 0.00 55.95 57.66 1cdn s SER 24 Cb -0.18 -1.57 0.49 0.00 0.10 0.00 0.00 66.02 64.87 1cdn s SER 24 CO 0.16 -1.89 1.95 0.50 0.98 0.00 0.00 173.24 174.93 1cdn h LYS 25 N -1.04 1.03 -0.12 4.02 3.64 -1.98 0.39 116.57 122.50 1cdn h LYS 25 Ca -0.47 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 1cdn h LYS 25 Cb 1.30 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1cdn h LYS 25 CO 0.64 0.68 -0.06 0.93 -2.27 0.00 0.00 179.45 179.38 1cdn h GLU 26 N 1.06 0.25 -0.65 1.90 5.08 -1.99 0.12 114.58 120.36 1cdn h GLU 26 Ca 0.33 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1cdn h GLU 26 Cb -0.01 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1cdn h GLU 26 CO -0.09 0.59 0.39 0.93 -1.00 0.00 0.00 179.01 179.83 1cdn h GLU 27 N -0.09 0.73 -0.46 2.33 5.08 -1.80 0.47 114.58 120.83 1cdn h GLU 27 Ca 0.03 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1cdn h GLU 27 Cb 0.51 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 1cdn h GLU 27 CO 0.02 0.48 0.12 -0.07 -1.00 0.00 0.00 179.01 178.56 1cdn h LEU 28 N 0.75 0.06 -0.29 1.33 3.38 -0.76 0.12 115.31 119.90 1cdn h LEU 28 Ca 0.27 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.33 1cdn h LEU 28 Cb 0.07 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1cdn h LEU 28 CO -0.13 0.06 0.15 0.50 0.09 0.00 0.00 178.44 179.11 1cdn h LYS 29 N 0.26 0.30 -0.11 1.13 3.64 0.72 0.27 116.57 122.80 1cdn h LYS 29 Ca 0.23 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1cdn h LYS 29 Cb 0.28 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1cdn h LYS 29 CO -0.28 0.20 0.06 -0.07 -2.27 0.00 0.00 179.45 177.09 1cdn h LEU 30 N 0.31 0.10 -0.02 5.20 3.38 -0.71 0.18 115.31 123.75 1cdn h LEU 30 Ca 0.12 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1cdn h LEU 30 Cb 0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 1cdn h LEU 30 CO -0.07 0.07 -0.46 0.25 0.09 0.00 0.00 178.44 178.31 1cdn h LEU 31 N 0.13 -1.43 0.11 1.67 6.46 -0.37 -0.06 115.31 121.83 1cdn h LEU 31 Ca 0.04 0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1cdn h LEU 31 Cb -0.00 0.55 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1cdn h LEU 31 CO -0.02 -0.48 -0.14 -0.07 -0.62 0.00 0.00 178.44 177.11 1cdn h LEU 32 N -0.60 -0.37 -0.23 2.25 3.38 -0.29 0.12 115.31 119.56 1cdn h LEU 32 Ca 0.04 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1cdn h LEU 32 Cb 0.68 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1cdn h LEU 32 CO -0.35 -0.21 -0.12 -0.61 0.09 0.00 0.00 178.44 177.24 1cdn h GLN 33 N -0.29 -0.09 -0.01 1.13 4.15 -0.44 0.35 115.11 119.91 1cdn h GLN 33 Ca 0.01 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 1cdn h GLN 33 Cb 0.29 0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.01 1cdn h GLN 33 CO -0.05 -0.06 -0.47 1.15 -1.93 0.00 0.00 178.83 177.46 1cdn h THR 34 N -0.10 1.46 0.04 2.39 2.02 -0.77 -3.35 112.91 114.60 1cdn h THR 34 Ca 0.13 -2.01 -0.35 0.00 0.77 0.00 0.00 66.41 64.94 1cdn h THR 34 Cb 0.29 2.63 -0.05 0.00 -1.74 0.00 0.00 68.15 69.28 1cdn h THR 34 CO -0.30 0.58 -2.11 -0.62 0.37 0.00 0.00 175.52 173.44 1cdn n GLU 35 N -4.32 0.68 -3.08 6.66 -0.58 0.38 -4.79 120.64 115.59 1cdn n GLU 35 Ca -0.10 0.19 -0.19 0.00 -0.42 0.00 0.00 57.16 56.63 1cdn n GLU 35 Cb 0.61 -1.65 -0.03 0.00 -0.57 0.00 0.00 31.44 29.80 1cdn n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1cdn n PHE 36 N -3.15 -1.01 -0.39 -0.32 3.72 0.12 -4.97 117.46 111.46 1cdn n PHE 36 Ca -0.31 -3.17 0.31 0.00 -0.05 0.00 0.00 57.45 54.23 1cdn n PHE 36 Cb 1.06 0.11 0.59 0.00 -0.94 0.00 0.00 39.48 40.30 1cdn n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1cdn h PRO 37 N 3.83 0.20 -0.76 -1.08 0.11 -1.58 0.18 132.00 132.89 1cdn h PRO 37 Ca 0.02 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.20 1cdn h PRO 37 Cb 0.93 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.93 1cdn h PRO 37 CO 0.43 0.13 0.42 0.77 -0.21 0.00 0.00 178.00 179.54 1cdn h SER 38 N 0.21 0.61 0.64 -2.05 0.02 -1.93 -0.73 113.55 110.31 1cdn h SER 38 Ca 0.73 0.04 -0.27 0.00 -0.84 0.00 0.00 61.79 61.46 1cdn h SER 38 Cb 2.12 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 64.56 1cdn h SER 38 CO -0.40 0.36 -1.42 -0.07 -1.14 0.00 0.00 176.83 174.16 1cdn h LEU 39 N 0.73 0.15 -0.29 5.07 3.38 -1.05 0.15 115.31 123.46 1cdn h LEU 39 Ca 0.36 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1cdn h LEU 39 Cb 0.31 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1cdn h LEU 39 CO -0.23 1.18 -0.08 0.25 0.09 0.00 0.00 178.44 179.65 1cdn h LEU 40 N 0.03 -0.29 0.69 1.67 5.85 -0.61 -2.87 115.31 119.77 1cdn h LEU 40 Ca -0.18 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1cdn h LEU 40 Cb 1.94 0.19 0.01 0.00 0.37 0.00 0.00 40.66 43.16 1cdn h LEU 40 CO 0.13 -0.10 -0.33 0.11 -0.34 0.00 0.00 178.44 177.90 1cdn h LYS 41 N -0.01 -0.89 0.00 1.25 1.57 -1.19 -3.44 116.57 113.86 1cdn h LYS 41 Ca 0.14 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1cdn h LYS 41 Cb 0.22 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1cdn h LYS 41 CO -0.31 -0.59 0.00 0.41 -0.57 0.00 0.00 179.45 178.39 1cdn n GLY 42 N -0.80 0.90 0.00 3.86 0.00 0.54 -4.46 105.19 105.23 1cdn n GLY 42 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1cdn n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cdn n GLY 43 N 0.00 2.47 3.74 -0.02 0.00 -1.26 -4.97 105.19 105.15 1cdn n GLY 43 Ca 0.00 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1cdn n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cdn n SER 44 N 0.00 2.79 -4.64 1.61 7.64 -1.26 -5.00 113.62 114.75 1cdn n SER 44 Ca 0.00 1.00 -0.31 0.00 1.01 0.00 0.00 58.87 60.58 1cdn n SER 44 Cb 0.00 -1.58 0.18 0.00 -1.01 0.00 0.00 64.21 61.80 1cdn n SER 44 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1cdn s THR 45 N -1.27 2.02 0.25 0.44 -4.23 -1.26 -4.69 115.64 106.89 1cdn s THR 45 Ca 0.70 0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 61.17 1cdn s THR 45 Cb -0.42 -2.01 0.22 0.00 1.34 0.00 0.00 72.50 71.63 1cdn s THR 45 CO 0.51 -0.01 1.72 0.25 -0.54 0.00 0.00 174.62 176.55 1cdn h LEU 46 N -2.01 0.26 0.38 4.79 5.85 -1.90 0.17 115.31 122.85 1cdn h LEU 46 Ca -0.46 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1cdn h LEU 46 Cb 1.28 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1cdn h LEU 46 CO 0.42 0.08 -0.20 0.44 -0.34 0.00 0.00 178.44 178.84 1cdn h ASP 47 N 0.42 -0.49 -0.36 1.25 5.19 -1.99 0.19 116.42 120.65 1cdn h ASP 47 Ca 0.42 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.91 1cdn h ASP 47 Cb 0.66 0.13 -0.05 0.00 0.18 0.00 0.00 39.33 40.25 1cdn h ASP 47 CO -0.42 -0.33 0.04 -0.33 -3.12 0.00 0.00 179.24 175.08 1cdn h GLU 48 N -0.54 0.15 -0.20 3.56 5.08 -1.77 -1.01 114.58 119.85 1cdn h GLU 48 Ca -0.05 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1cdn h GLU 48 Cb 0.43 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1cdn h GLU 48 CO 0.07 0.10 -0.03 1.25 -1.00 0.00 0.00 179.01 179.40 1cdn h LEU 49 N 0.15 -0.14 -0.38 1.33 5.85 -0.41 0.14 115.31 121.85 1cdn h LEU 49 Ca 0.17 0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.02 1cdn h LEU 49 Cb 0.21 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 1cdn h LEU 49 CO -0.25 -0.05 -0.12 0.15 -0.34 0.00 0.00 178.44 177.83 1cdn h PHE 50 N 0.02 -0.27 -0.28 1.25 3.57 -0.16 0.10 116.94 121.17 1cdn h PHE 50 Ca 0.09 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1cdn h PHE 50 Cb 0.13 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1cdn h PHE 50 CO -0.20 -0.19 0.16 0.93 -2.23 0.00 0.00 178.31 176.77 1cdn h GLU 51 N -0.03 0.32 -0.86 1.11 4.39 -0.57 0.11 114.58 119.05 1cdn h GLU 51 Ca 0.19 -0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.00 1cdn h GLU 51 Cb 0.32 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 1cdn h GLU 51 CO -0.42 0.21 0.56 0.93 -1.16 0.00 0.00 179.01 179.13 1cdn h GLU 52 N 0.33 0.68 0.18 2.33 5.08 0.46 -2.66 114.58 120.98 1cdn h GLU 52 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1cdn h GLU 52 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1cdn h GLU 52 CO -0.05 0.45 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.25 1cdn h LEU 53 N 0.70 -0.20 -5.16 1.33 3.38 -0.45 -3.37 115.31 111.54 1cdn h LEU 53 Ca 0.42 -0.19 -0.50 0.00 0.09 0.00 0.00 57.88 57.70 1cdn h LEU 53 Cb 0.63 0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.45 1cdn h LEU 53 CO -0.18 0.33 3.00 -0.67 0.09 0.00 0.00 178.44 181.01 1cdn n ASP 54 N -4.92 6.65 -0.26 -0.43 2.03 0.36 -4.62 116.55 115.35 1cdn n ASP 54 Ca -0.05 -2.43 0.05 0.00 0.52 0.00 0.00 54.79 52.87 1cdn n ASP 54 Cb 0.19 -1.31 0.28 0.00 -0.72 0.00 0.00 41.12 39.56 1cdn n ASP 54 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1cdn h LYS 55 N 5.53 0.92 0.00 -0.67 1.79 -1.71 0.12 116.57 122.55 1cdn h LYS 55 Ca 0.65 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.06 1cdn h LYS 55 Cb 0.28 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1cdn h LYS 55 CO 1.52 0.61 0.00 -2.95 -1.08 0.00 0.00 179.45 177.55 1cdn h ASN 56 N 0.94 0.00 -4.84 0.86 -1.07 -1.90 -3.47 115.58 106.10 1cdn h ASN 56 Ca 0.36 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.42 1cdn h ASN 56 Cb 0.20 0.00 0.11 0.00 -2.07 0.00 0.00 38.32 36.57 1cdn h ASN 56 CO -0.13 0.00 -0.54 0.61 0.07 0.00 0.00 177.43 177.44 1cdn n GLY 57 N -0.48 -0.23 0.13 9.14 0.00 0.42 -4.91 105.19 109.26 1cdn n GLY 57 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1cdn n GLY 57 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1cdn h ASP 58 N -2.10 0.00 0.00 1.61 3.04 -1.92 -3.47 116.42 113.59 1cdn h ASP 58 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1cdn h ASP 58 Cb 1.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.58 1cdn h ASP 58 CO 0.44 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.25 1cdn n GLY 59 N 1.07 0.86 3.68 7.15 0.00 -1.26 -5.05 105.19 111.63 1cdn n GLY 59 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1cdn n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cdn s GLU 60 N -0.95 1.85 -0.29 1.61 2.02 -1.26 -4.87 118.70 116.81 1cdn s GLU 60 Ca 0.00 -1.36 -0.06 0.00 0.02 0.00 0.00 54.97 53.58 1cdn s GLU 60 Cb 0.00 0.53 0.01 0.00 0.10 0.00 0.00 34.13 34.78 1cdn s GLU 60 CO 0.00 -0.81 0.05 0.08 0.02 0.00 0.00 175.26 174.60 1cdn s VAL 61 N -3.37 3.71 0.62 2.63 1.01 -0.19 -4.70 120.40 120.12 1cdn s VAL 61 Ca 0.20 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1cdn s VAL 61 Cb -0.03 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1cdn s VAL 61 CO 0.12 0.09 1.03 -0.44 0.00 0.00 0.00 175.10 175.90 1cdn s SER 62 N 1.45 6.09 0.48 3.32 0.01 -1.26 -0.47 113.70 123.33 1cdn s SER 62 Ca 0.02 1.49 0.14 0.00 1.31 0.00 0.00 55.95 58.91 1cdn s SER 62 Cb -0.17 -2.48 1.15 0.00 0.21 0.00 0.00 66.02 64.73 1cdn s SER 62 CO 0.01 -0.96 2.10 0.15 0.41 0.00 0.00 173.24 174.95 1cdn h PHE 63 N -0.24 0.17 0.40 2.43 3.57 -1.25 0.48 116.94 122.51 1cdn h PHE 63 Ca -0.44 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 1cdn h PHE 63 Cb 1.19 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1cdn h PHE 63 CO 0.65 0.10 -0.19 0.93 -2.23 0.00 0.00 178.31 177.57 1cdn h GLU 64 N 0.18 -0.52 -0.31 1.11 3.07 -1.93 -3.08 114.58 113.10 1cdn h GLU 64 Ca 0.09 0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1cdn h GLU 64 Cb 0.13 0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 1cdn h GLU 64 CO -0.02 -0.35 0.21 1.05 -1.40 0.00 0.00 179.01 178.51 1cdn h GLU 65 N -0.85 0.37 -1.11 2.33 4.11 -1.86 0.44 114.58 118.02 1cdn h GLU 65 Ca -0.05 -0.02 0.32 0.00 0.07 0.00 0.00 59.36 59.68 1cdn h GLU 65 Cb 0.41 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1cdn h GLU 65 CO 0.09 0.25 0.81 0.35 0.07 0.00 0.00 179.01 180.58 1cdn h PHE 66 N 0.39 0.00 -0.12 2.06 3.57 -0.91 0.54 116.94 122.47 1cdn h PHE 66 Ca 0.12 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1cdn h PHE 66 Cb 0.01 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1cdn h PHE 66 CO -0.00 0.00 0.30 1.96 -2.23 0.00 0.00 178.31 178.34 1cdn h GLN 67 N 0.00 0.00 -0.76 1.11 1.08 -0.81 0.24 115.11 115.98 1cdn h GLN 67 Ca 0.53 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.84 1cdn h GLN 67 Cb 2.14 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.52 1cdn h GLN 67 CO -0.01 0.00 0.50 0.28 -0.95 0.00 0.00 178.83 178.65 1cdn h VAL 68 N 0.00 0.89 -0.11 -0.54 2.07 -1.07 0.22 116.25 117.70 1cdn h VAL 68 Ca 0.06 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1cdn h VAL 68 Cb 0.65 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1cdn h VAL 68 CO -0.00 0.11 -0.28 0.25 0.02 0.00 0.00 177.57 177.67 1cdn h LEU 69 N 0.59 0.44 -0.96 2.57 5.85 -0.71 -1.29 115.31 121.81 1cdn h LEU 69 Ca 0.36 -0.58 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1cdn h LEU 69 Cb 0.60 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 1cdn h LEU 69 CO -0.13 0.95 0.61 0.58 -0.34 0.00 0.00 178.44 180.10 1cdn h VAL 70 N -0.04 1.06 0.37 1.05 2.07 -1.27 0.15 116.25 119.64 1cdn h VAL 70 Ca -0.00 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1cdn h VAL 70 Cb 0.89 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1cdn h VAL 70 CO 0.06 0.20 -0.34 0.50 0.02 0.00 0.00 177.57 178.01 1cdn h LYS 71 N 1.10 -0.70 -1.00 1.57 3.64 -0.47 0.16 116.57 120.87 1cdn h LYS 71 Ca 0.42 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 60.07 1cdn h LYS 71 Cb 0.19 0.16 -0.12 0.00 -0.41 0.00 0.00 32.23 32.05 1cdn h LYS 71 CO -0.18 -0.47 0.59 0.87 -2.27 0.00 0.00 179.45 177.99 1cdn h LYS 72 N -0.73 0.62 0.71 1.90 6.56 -0.01 -1.80 116.57 123.82 1cdn h LYS 72 Ca -0.03 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.49 1cdn h LYS 72 Cb 0.65 -0.14 0.01 0.00 -0.57 0.00 0.00 32.23 32.17 1cdn h LYS 72 CO -0.04 0.41 -0.34 0.82 -2.06 0.00 0.00 179.45 178.24 1cdn h ILE 73 N 0.64 0.00 0.00 1.86 2.04 -0.30 -3.48 117.51 118.27 1cdn h ILE 73 Ca 0.62 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.38 1cdn h ILE 73 Cb 1.09 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1cdn h ILE 73 CO -0.44 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 176.51 1cdn n SER 74 N -4.83 0.00 0.00 1.72 7.64 0.35 -5.10 113.62 113.41 1cdn n SER 74 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1cdn n SER 74 Cb 0.38 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1cdn n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70