#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 5.86 0.33 4.39 1.04 -1.26 -4.85 113.70 119.21 1cdn s SER 2 Ca 0.00 1.57 0.10 0.00 0.48 0.00 0.00 55.95 58.10 1cdn s SER 2 Cb 0.00 -2.49 0.91 0.00 0.10 0.00 0.00 66.02 64.54 1cdn s SER 2 CO 0.00 -1.12 1.73 -0.65 0.98 0.00 0.00 173.24 174.18 1cdn h PRO 3 N -0.27 0.54 0.02 4.02 0.11 -2.04 0.16 132.00 134.54 1cdn h PRO 3 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1cdn h PRO 3 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1cdn h PRO 3 CO 0.59 0.36 -0.01 0.93 -0.21 0.00 0.00 178.00 179.66 1cdn h GLU 4 N 0.56 -0.03 -0.42 1.05 5.08 -1.99 0.14 114.58 118.97 1cdn h GLU 4 Ca 0.65 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 59.02 1cdn h GLU 4 Cb 1.26 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1cdn h GLU 4 CO -0.47 0.03 0.26 0.93 -1.00 0.00 0.00 179.01 178.76 1cdn h GLU 5 N -0.08 0.52 -1.00 2.33 4.39 -1.59 -1.31 114.58 117.84 1cdn h GLU 5 Ca -0.00 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.72 1cdn h GLU 5 Cb 0.07 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 28.54 1cdn h GLU 5 CO 0.01 0.34 0.65 -0.07 -1.16 0.00 0.00 179.01 178.78 1cdn h LEU 6 N 0.53 1.06 0.21 1.33 3.38 -0.46 0.19 115.31 121.56 1cdn h LEU 6 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1cdn h LEU 6 Cb -0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1cdn h LEU 6 CO -0.05 0.70 -0.12 0.50 0.09 0.00 0.00 178.44 179.56 1cdn h LYS 7 N 1.21 -0.30 -0.31 1.13 1.63 -0.19 0.25 116.57 119.99 1cdn h LYS 7 Ca 0.42 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.31 1cdn h LYS 7 Cb 0.09 0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.71 1cdn h LYS 7 CO -0.15 -0.20 -0.29 0.78 -3.45 0.00 0.00 179.45 176.14 1cdn h GLY 8 N -0.31 -0.21 0.38 5.01 0.00 -0.19 0.12 103.07 107.86 1cdn h GLY 8 Ca -0.02 0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.69 1cdn h GLY 8 CO 0.03 -0.21 -0.36 -2.22 0.00 0.00 0.00 176.54 173.78 1cdn h ILE 9 N -0.26 0.25 -0.51 2.60 1.08 -0.60 0.70 117.51 120.76 1cdn h ILE 9 Ca 0.15 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.73 1cdn h ILE 9 Cb 0.51 0.25 -0.10 0.00 -3.07 0.00 0.00 36.82 34.40 1cdn h ILE 9 CO -0.46 0.00 -0.15 0.15 -0.69 0.00 0.00 178.15 177.00 1cdn h PHE 10 N -0.60 -0.35 -0.17 1.37 3.04 0.24 -1.47 116.94 119.00 1cdn h PHE 10 Ca 0.03 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1cdn h PHE 10 Cb 0.63 0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.36 1cdn h PHE 10 CO -0.31 -0.25 0.08 0.93 -2.02 0.00 0.00 178.31 176.74 1cdn h GLU 11 N -0.03 0.24 -0.76 1.11 5.08 -0.39 0.12 114.58 119.94 1cdn h GLU 11 Ca 0.24 -0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.71 1cdn h GLU 11 Cb 0.41 -0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.47 1cdn h GLU 11 CO -0.54 0.28 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.28 1cdn h LYS 12 N 0.14 -0.04 0.02 2.33 3.64 0.16 0.15 116.57 122.96 1cdn h LYS 12 Ca 0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1cdn h LYS 12 Cb 0.12 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1cdn h LYS 12 CO -0.01 -0.03 -0.10 1.88 -2.27 0.00 0.00 179.45 178.92 1cdn h TYR 13 N -0.04 0.07 -0.95 1.91 0.05 -1.19 -3.36 116.97 113.46 1cdn h TYR 13 Ca 0.34 -0.05 0.10 0.00 0.05 0.00 0.00 58.73 59.17 1cdn h TYR 13 Cb 0.57 -0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.24 1cdn h TYR 13 CO -0.65 1.01 0.61 0.00 -1.05 0.00 0.00 178.16 178.08 1cdn h ALA 14 N 0.04 1.56 -0.96 3.88 0.00 -0.48 -0.09 119.26 123.22 1cdn h ALA 14 Ca -0.02 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.16 1cdn h ALA 14 Cb 1.05 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1cdn h ALA 14 CO 0.02 0.23 0.68 0.00 0.00 0.00 0.00 179.25 180.18 1cdn h ALA 15 N 1.53 2.75 -0.02 0.00 0.00 -0.85 0.12 119.26 122.79 1cdn h ALA 15 Ca 0.45 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 1cdn h ALA 15 Cb 0.41 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1cdn h ALA 15 CO -0.21 -1.04 -0.47 0.87 0.00 0.00 0.00 179.25 178.40 1cdn h LYS 16 N 0.10 0.04 -0.07 0.00 1.57 -1.17 -2.24 116.57 114.79 1cdn h LYS 16 Ca 0.47 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.20 1cdn h LYS 16 Cb 1.72 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.03 1cdn h LYS 16 CO -0.06 0.51 -0.09 0.93 -0.57 0.00 0.00 179.45 180.17 1cdn h GLU 17 N 0.03 0.18 0.00 3.15 4.39 -0.93 -3.49 114.58 117.91 1cdn h GLU 17 Ca -0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1cdn h GLU 17 Cb 0.85 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1cdn h GLU 17 CO 0.06 0.65 0.00 0.41 -1.16 0.00 0.00 179.01 178.97 1cdn n GLY 18 N 0.30 2.06 3.60 -3.84 0.00 -0.50 -5.08 105.19 101.73 1cdn n GLY 18 Ca -0.08 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1cdn n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cdn s ASP 19 N 0.00 5.84 0.65 1.61 2.15 -1.26 -4.49 116.67 121.16 1cdn s ASP 19 Ca 0.00 1.53 0.40 0.00 0.43 0.00 0.00 52.55 54.91 1cdn s ASP 19 Cb 0.00 -2.52 2.22 0.00 -0.30 0.00 0.00 42.92 42.32 1cdn s ASP 19 CO 0.00 -1.71 2.31 1.55 -0.17 0.00 0.00 175.17 177.15 1cdn h PRO 20 N 13.19 0.00 -0.00 4.34 0.13 -1.90 -2.21 132.00 145.55 1cdn h PRO 20 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1cdn h PRO 20 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1cdn h PRO 20 CO 1.01 0.00 -0.14 0.09 -0.23 0.00 0.00 178.00 178.73 1cdn n ASN 21 N -3.29 0.54 -3.72 1.44 3.02 -1.26 -4.21 115.26 107.77 1cdn n ASN 21 Ca -0.03 -0.59 -0.15 0.00 -0.03 0.00 0.00 54.58 53.79 1cdn n ASN 21 Cb 0.10 -0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.50 0.05 -0.11 3.52 0.74 -0.83 -0.82 119.66 119.70 1cdn s GLN 22 Ca 0.27 0.41 -0.05 0.00 0.05 0.00 0.00 55.36 56.05 1cdn s GLN 22 Cb 0.20 -0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.04 1cdn s GLN 22 CO 0.49 -0.22 0.06 -0.51 -0.55 0.00 0.00 175.29 174.56 1cdn s LEU 23 N 1.57 3.91 0.85 3.68 1.43 0.16 -4.66 118.68 125.61 1cdn s LEU 23 Ca -0.05 0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.17 1cdn s LEU 23 Cb -0.12 -1.93 0.12 0.00 0.03 0.00 0.00 46.19 44.29 1cdn s LEU 23 CO -0.05 0.35 1.21 -0.94 0.23 0.00 0.00 176.35 177.15 1cdn s SER 24 N -0.72 4.06 0.20 2.29 1.04 -1.26 -0.88 113.70 118.44 1cdn s SER 24 Ca 0.12 0.57 -0.10 0.00 0.48 0.00 0.00 55.95 57.02 1cdn s SER 24 Cb -0.12 -0.92 0.25 0.00 0.10 0.00 0.00 66.02 65.33 1cdn s SER 24 CO 0.03 -2.16 1.77 0.11 0.98 0.00 0.00 173.24 173.97 1cdn h LYS 25 N -1.21 0.50 -0.19 4.02 1.57 -1.99 0.22 116.57 119.49 1cdn h LYS 25 Ca -0.45 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 1cdn h LYS 25 Cb 1.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1cdn h LYS 25 CO 0.56 0.33 0.01 0.93 -0.57 0.00 0.00 179.45 180.72 1cdn h GLU 26 N 0.52 0.33 -0.90 3.15 5.08 -1.98 0.24 114.58 121.02 1cdn h GLU 26 Ca 0.29 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1cdn h GLU 26 Cb 0.28 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1cdn h GLU 26 CO -0.24 0.52 0.49 0.93 -1.00 0.00 0.00 179.01 179.71 1cdn h GLU 27 N 0.10 1.25 -0.34 2.33 3.07 -1.87 0.81 114.58 119.93 1cdn h GLU 27 Ca 0.06 -0.15 0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1cdn h GLU 27 Cb 0.36 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 1cdn h GLU 27 CO 0.01 0.92 0.13 -0.07 -1.40 0.00 0.00 179.01 178.60 1cdn h LEU 28 N 1.26 0.16 -0.35 1.33 3.38 -0.64 0.74 115.31 121.20 1cdn h LEU 28 Ca 0.31 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.34 1cdn h LEU 28 Cb 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1cdn h LEU 28 CO -0.05 0.13 0.16 0.50 0.09 0.00 0.00 178.44 179.28 1cdn h LYS 29 N 0.29 0.33 -0.21 1.13 3.64 0.89 0.26 116.57 122.90 1cdn h LYS 29 Ca 0.15 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1cdn h LYS 29 Cb 0.11 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1cdn h LYS 29 CO -0.14 0.22 0.13 -0.07 -2.27 0.00 0.00 179.45 177.32 1cdn h LEU 30 N 0.34 0.21 -0.01 5.20 -0.00 -0.78 0.17 115.31 120.44 1cdn h LEU 30 Ca 0.15 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 58.06 1cdn h LEU 30 Cb 0.07 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 40.63 1cdn h LEU 30 CO -0.11 0.15 -0.43 0.25 -0.00 0.00 0.00 178.44 178.30 1cdn h LEU 31 N 0.26 -1.30 0.01 1.67 6.46 -0.06 -0.16 115.31 122.18 1cdn h LEU 31 Ca 0.08 0.16 0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1cdn h LEU 31 Cb -0.01 0.51 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1cdn h LEU 31 CO -0.04 -0.46 -0.08 -0.07 -0.62 0.00 0.00 178.44 177.17 1cdn h LEU 32 N -0.58 -0.24 -0.70 2.25 3.38 -0.35 0.84 115.31 119.92 1cdn h LEU 32 Ca 0.05 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.14 1cdn h LEU 32 Cb 0.66 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 1cdn h LEU 32 CO -0.33 -0.12 0.34 -0.61 0.09 0.00 0.00 178.44 177.82 1cdn h GLN 33 N -0.15 0.57 0.01 1.13 4.15 -0.31 0.39 115.11 120.91 1cdn h GLN 33 Ca 0.03 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1cdn h GLN 33 Cb 0.18 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1cdn h GLN 33 CO -0.08 0.38 -0.12 1.15 -1.93 0.00 0.00 178.83 178.22 1cdn h THR 34 N 0.59 1.67 0.00 2.39 2.02 -0.79 -3.37 112.91 115.42 1cdn h THR 34 Ca 0.34 -2.13 -0.27 0.00 0.77 0.00 0.00 66.41 65.12 1cdn h THR 34 Cb 0.36 3.10 -0.05 0.00 -1.74 0.00 0.00 68.15 69.82 1cdn h THR 34 CO -0.27 0.56 -2.06 -0.62 0.37 0.00 0.00 175.52 173.50 1cdn n GLU 35 N -4.58 0.66 -3.08 6.66 -0.58 0.27 -4.73 120.64 115.27 1cdn n GLU 35 Ca -0.10 0.05 -0.20 0.00 -0.42 0.00 0.00 57.16 56.49 1cdn n GLU 35 Cb 0.49 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 29.71 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 -2.75 -1.18 -0.34 -0.32 3.72 0.13 -4.97 117.46 111.76 1cdn n PHE 36 Ca -0.22 -3.07 0.28 0.00 -0.05 0.00 0.00 57.45 54.38 1cdn n PHE 36 Cb 1.01 0.17 0.59 0.00 -0.94 0.00 0.00 39.48 40.31 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 4.03 0.25 0.25 -1.08 0.11 -1.62 -0.17 132.00 133.76 1cdn h PRO 37 Ca 0.02 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1cdn h PRO 37 Cb 0.92 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 1cdn h PRO 37 CO 0.42 0.16 -0.36 0.66 -0.21 0.00 0.00 178.00 178.67 1cdn h SER 38 N 0.25 -1.02 -0.77 -2.05 4.64 -1.93 0.16 113.55 112.83 1cdn h SER 38 Ca 0.61 0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 62.01 1cdn h SER 38 Cb 1.83 0.37 -0.04 0.00 -0.31 0.00 0.00 62.40 64.25 1cdn h SER 38 CO -0.24 -0.48 0.38 -0.07 -0.87 0.00 0.00 176.83 175.56 1cdn h LEU 39 N -0.68 1.00 -0.42 5.97 3.38 -1.52 0.11 115.31 123.17 1cdn h LEU 39 Ca -0.00 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1cdn h LEU 39 Cb 0.65 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 1cdn h LEU 39 CO -0.14 0.85 0.02 0.25 0.09 0.00 0.00 178.44 179.51 1cdn h LEU 40 N 1.08 -0.13 -0.01 1.67 5.85 -0.67 0.28 115.31 123.39 1cdn h LEU 40 Ca 0.27 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1cdn h LEU 40 Cb 0.10 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1cdn h LEU 40 CO -0.04 -0.03 -0.07 0.11 -0.34 0.00 0.00 178.44 178.08 1cdn h LYS 41 N 0.13 0.06 0.00 1.25 1.57 -0.59 -3.41 116.57 115.59 1cdn h LYS 41 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1cdn h LYS 41 Cb 0.29 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1cdn h LYS 41 CO -0.32 0.75 0.00 0.41 -0.57 0.00 0.00 179.45 179.71 1cdn n GLY 42 N 0.81 -1.01 2.66 3.86 0.00 0.36 -4.86 105.19 107.01 1cdn n GLY 42 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.04 3.80 7.00 -0.02 0.00 0.98 -4.88 105.19 112.03 1cdn n GLY 43 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1cdn n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cdn n SER 44 N 5.30 0.00 -4.61 1.61 2.88 -1.26 -4.59 113.62 112.95 1cdn n SER 44 Ca 0.58 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.81 1cdn n SER 44 Cb 0.30 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.66 1cdn n SER 44 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1cdn s THR 45 N 0.00 3.65 0.21 2.46 -4.23 -1.26 -4.94 115.64 111.52 1cdn s THR 45 Ca 0.00 -0.90 -0.10 0.00 -1.18 0.00 0.00 61.69 59.51 1cdn s THR 45 Cb 0.00 -2.63 0.16 0.00 1.34 0.00 0.00 72.50 71.37 1cdn s THR 45 CO 0.00 0.30 1.70 0.25 -0.54 0.00 0.00 174.62 176.33 1cdn h LEU 46 N 4.19 -0.01 0.11 4.79 5.85 -1.92 0.14 115.31 128.46 1cdn h LEU 46 Ca -0.48 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1cdn h LEU 46 Cb 1.17 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1cdn h LEU 46 CO 0.54 0.00 -0.08 0.44 -0.34 0.00 0.00 178.44 179.00 1cdn h ASP 47 N 0.25 -0.21 -0.56 1.25 5.19 -1.96 0.22 116.42 120.60 1cdn h ASP 47 Ca 0.31 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.73 1cdn h ASP 47 Cb 0.46 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 1cdn h ASP 47 CO -0.40 -0.13 0.31 -0.33 -3.12 0.00 0.00 179.24 175.57 1cdn h GLU 48 N -0.20 0.77 -0.09 3.56 4.39 -1.72 -0.55 114.58 120.73 1cdn h GLU 48 Ca -0.00 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.64 1cdn h GLU 48 Cb 0.18 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1cdn h GLU 48 CO -0.01 0.58 -0.07 1.25 -1.16 0.00 0.00 179.01 179.61 1cdn h LEU 49 N 0.75 -0.22 -0.24 1.33 5.85 -0.53 0.59 115.31 122.84 1cdn h LEU 49 Ca 0.20 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1cdn h LEU 49 Cb 0.03 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1cdn h LEU 49 CO -0.03 -0.09 -0.11 0.15 -0.34 0.00 0.00 178.44 178.01 1cdn h PHE 50 N -0.08 -0.27 -0.32 1.25 3.57 0.00 0.19 116.94 121.29 1cdn h PHE 50 Ca 0.06 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1cdn h PHE 50 Cb 0.16 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1cdn h PHE 50 CO -0.18 -0.17 0.15 0.93 -2.23 0.00 0.00 178.31 176.80 1cdn h GLU 51 N -0.08 0.30 -0.98 1.11 4.39 -0.89 0.13 114.58 118.55 1cdn h GLU 51 Ca 0.13 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.91 1cdn h GLU 51 Cb 0.27 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.77 1cdn h GLU 51 CO -0.29 0.20 0.62 1.49 -1.16 0.00 0.00 179.01 179.87 1cdn h GLU 52 N 0.31 0.99 0.01 2.33 4.81 0.27 -2.96 114.58 120.33 1cdn h GLU 52 Ca 0.13 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1cdn h GLU 52 Cb 0.06 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1cdn h GLU 52 CO -0.10 0.65 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.67 1cdn h LEU 53 N 1.02 0.06 -5.23 1.64 3.38 -0.26 -3.38 115.31 112.54 1cdn h LEU 53 Ca 0.47 -0.85 -0.49 0.00 0.09 0.00 0.00 57.88 57.10 1cdn h LEU 53 Cb 0.40 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.15 1cdn h LEU 53 CO -0.24 0.91 3.05 -0.67 0.09 0.00 0.00 178.44 181.58 1cdn n ASP 54 N -4.62 6.48 0.03 -0.43 2.03 0.43 -4.53 116.55 115.94 1cdn n ASP 54 Ca -0.10 -2.42 0.02 0.00 0.52 0.00 0.00 54.79 52.82 1cdn n ASP 54 Cb 0.46 -1.28 0.38 0.00 -0.72 0.00 0.00 41.12 39.95 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 5.71 0.46 0.00 -0.67 1.79 -1.75 0.29 116.57 122.41 1cdn h LYS 55 Ca 0.64 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1cdn h LYS 55 Cb 0.23 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1cdn h LYS 55 CO 1.55 0.42 0.00 0.27 -1.08 0.00 0.00 179.45 180.62 1cdn n ASN 56 N -4.37 0.00 -2.74 0.86 2.04 -1.26 -4.93 115.26 104.86 1cdn n ASN 56 Ca 0.02 0.27 -0.19 0.00 -0.44 0.00 0.00 54.58 54.23 1cdn n ASN 56 Cb 0.16 -0.41 0.04 0.00 -2.53 0.00 0.00 39.78 37.05 1cdn n ASN 56 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cdn n GLY 57 N 0.70 -0.33 0.07 4.83 0.00 0.09 -4.90 105.19 105.65 1cdn n GLY 57 Ca 0.08 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1cdn n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cdn n ASP 58 N -1.99 0.52 0.00 1.61 5.68 -1.26 -4.90 116.55 116.20 1cdn n ASP 58 Ca -0.07 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 54.78 1cdn n ASP 58 Cb 0.59 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1cdn n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cdn n GLY 59 N 1.16 0.47 3.45 6.12 0.00 -1.26 -5.04 105.19 110.08 1cdn n GLY 59 Ca 0.06 0.00 -0.11 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 -0.99 1.47 -0.32 1.61 2.02 -1.26 -4.90 118.70 116.34 1cdn s GLU 60 Ca 0.00 -1.43 -0.11 0.00 0.02 0.00 0.00 54.97 53.45 1cdn s GLU 60 Cb 0.00 0.40 -0.02 0.00 0.10 0.00 0.00 34.13 34.61 1cdn s GLU 60 CO 0.00 -0.58 0.19 0.08 0.02 0.00 0.00 175.26 174.97 1cdn s VAL 61 N -3.96 4.92 0.56 2.63 1.01 -0.06 -4.74 120.40 120.76 1cdn s VAL 61 Ca 0.29 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1cdn s VAL 61 Cb 0.02 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1cdn s VAL 61 CO 0.11 0.07 1.00 -0.94 0.00 0.00 0.00 175.10 175.35 1cdn s SER 62 N 1.67 6.46 0.45 3.32 1.04 -1.26 -0.67 113.70 124.72 1cdn s SER 62 Ca 0.05 1.51 0.16 0.00 0.48 0.00 0.00 55.95 58.16 1cdn s SER 62 Cb -0.17 -2.49 1.11 0.00 0.10 0.00 0.00 66.02 64.56 1cdn s SER 62 CO 0.08 -0.70 1.99 0.15 0.98 0.00 0.00 173.24 175.74 1cdn h PHE 63 N 0.42 0.34 0.56 5.02 3.57 -1.35 0.87 116.94 126.38 1cdn h PHE 63 Ca -0.46 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 1cdn h PHE 63 Cb 1.19 -0.11 0.01 0.00 2.79 0.00 0.00 35.95 39.82 1cdn h PHE 63 CO 0.65 0.16 -0.27 1.49 -2.23 0.00 0.00 178.31 178.11 1cdn h GLU 64 N 0.32 -0.73 0.00 1.11 4.57 -1.94 -3.14 114.58 114.77 1cdn h GLU 64 Ca 0.27 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.46 1cdn h GLU 64 Cb 0.62 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1cdn h GLU 64 CO -0.06 -0.48 -0.18 1.05 -1.18 0.00 0.00 179.01 178.15 1cdn h GLU 65 N -0.96 0.00 -0.68 1.92 4.11 -1.80 0.28 114.58 117.45 1cdn h GLU 65 Ca -0.08 0.00 0.20 0.00 0.07 0.00 0.00 59.36 59.55 1cdn h GLU 65 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1cdn h GLU 65 CO 0.13 0.18 0.60 0.35 0.07 0.00 0.00 179.01 180.34 1cdn h PHE 66 N 0.00 0.00 -0.26 2.06 3.57 -0.84 0.33 116.94 121.79 1cdn h PHE 66 Ca -0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1cdn h PHE 66 Cb 0.39 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1cdn h PHE 66 CO 0.00 0.00 0.36 1.96 -2.23 0.00 0.00 178.31 178.40 1cdn h GLN 67 N 0.00 0.00 -0.38 1.11 1.08 -0.89 0.27 115.11 116.30 1cdn h GLN 67 Ca 0.32 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.61 1cdn h GLN 67 Cb 1.52 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.93 1cdn h GLN 67 CO -0.00 0.00 0.27 0.28 -0.95 0.00 0.00 178.83 178.42 1cdn h VAL 68 N 0.00 0.88 -0.15 -0.54 2.07 -1.13 0.13 116.25 117.52 1cdn h VAL 68 Ca 0.12 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.48 1cdn h VAL 68 Cb 0.85 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1cdn h VAL 68 CO -0.00 0.03 -0.36 0.25 0.02 0.00 0.00 177.57 177.51 1cdn h LEU 69 N 0.15 0.57 -0.73 2.57 6.46 -0.65 -0.69 115.31 122.99 1cdn h LEU 69 Ca 0.18 -0.58 0.01 0.00 -0.12 0.00 0.00 57.88 57.37 1cdn h LEU 69 Cb 0.52 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 1cdn h LEU 69 CO -0.02 1.04 0.48 0.58 -0.62 0.00 0.00 178.44 179.90 1cdn h VAL 70 N 0.12 1.19 0.02 1.05 2.07 -1.26 0.14 116.25 119.57 1cdn h VAL 70 Ca -0.00 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1cdn h VAL 70 Cb 0.97 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1cdn h VAL 70 CO 0.08 0.18 -0.42 0.50 0.02 0.00 0.00 177.57 177.93 1cdn h LYS 71 N 0.99 -0.57 -0.78 1.57 3.64 -0.69 0.41 116.57 121.14 1cdn h LYS 71 Ca 0.27 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.86 1cdn h LYS 71 Cb -0.11 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 31.73 1cdn h LYS 71 CO -0.06 -0.38 0.26 0.87 -2.27 0.00 0.00 179.45 177.87 1cdn h LYS 72 N -0.59 0.33 0.47 1.90 6.56 -0.01 0.29 116.57 125.52 1cdn h LYS 72 Ca 0.04 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 1cdn h LYS 72 Cb 0.66 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1cdn h LYS 72 CO -0.31 0.22 -0.28 0.82 -2.06 0.00 0.00 179.45 177.84 1cdn h ILE 73 N 0.34 0.42 -0.44 1.86 2.04 -0.30 -3.28 117.51 118.15 1cdn h ILE 73 Ca 0.45 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.30 1cdn h ILE 73 Cb 0.77 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1cdn h ILE 73 CO -0.49 0.00 0.25 0.77 0.00 0.00 0.00 178.15 178.68 1cdn h SER 74 N -0.71 0.54 0.00 1.72 4.64 0.65 -3.51 113.55 116.88 1cdn h SER 74 Ca -0.05 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1cdn h SER 74 Cb 0.58 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1cdn h SER 74 CO 0.06 0.46 0.00 0.00 -0.87 0.00 0.00 176.83 176.48