#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 4.76 0.36 4.39 1.04 -1.26 -4.77 113.70 118.21 1cdn s SER 2 Ca 0.00 1.91 0.14 0.00 0.48 0.00 0.00 55.95 58.48 1cdn s SER 2 Cb 0.00 -2.54 1.00 0.00 0.10 0.00 0.00 66.02 64.58 1cdn s SER 2 CO 0.00 -1.86 1.74 -0.65 0.98 0.00 0.00 173.24 173.45 1cdn h PRO 3 N -0.61 0.47 -0.04 4.02 0.11 -2.05 0.13 132.00 134.03 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 1.24 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1cdn h PRO 3 CO 0.52 0.31 0.02 0.93 -0.21 0.00 0.00 178.00 179.58 1cdn h GLU 4 N 0.48 0.06 -0.30 1.05 5.08 -1.99 0.17 114.58 119.13 1cdn h GLU 4 Ca 0.63 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.99 1cdn h GLU 4 Cb 1.40 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1cdn h GLU 4 CO -0.40 0.11 0.18 0.93 -1.00 0.00 0.00 179.01 178.84 1cdn h GLU 5 N -0.01 0.37 -0.98 2.33 4.39 -1.49 0.10 114.58 119.29 1cdn h GLU 5 Ca 0.01 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.74 1cdn h GLU 5 Cb 0.07 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.58 1cdn h GLU 5 CO -0.00 0.24 0.64 -0.07 -1.16 0.00 0.00 179.01 178.66 1cdn h LEU 6 N 0.38 1.05 -0.07 1.33 3.38 -0.59 0.16 115.31 120.95 1cdn h LEU 6 Ca 0.11 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1cdn h LEU 6 Cb -0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1cdn h LEU 6 CO -0.04 0.71 0.04 0.50 0.09 0.00 0.00 178.44 179.73 1cdn h LYS 7 N 1.21 0.09 -0.17 1.13 1.63 -0.19 0.23 116.57 120.51 1cdn h LYS 7 Ca 0.40 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.24 1cdn h LYS 7 Cb 0.06 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.61 1cdn h LYS 7 CO -0.13 0.14 -0.18 0.78 -3.45 0.00 0.00 179.45 176.61 1cdn h GLY 8 N 0.02 -0.09 0.35 5.01 0.00 0.21 0.13 103.07 108.70 1cdn h GLY 8 Ca 0.02 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.59 1cdn h GLY 8 CO -0.00 -0.17 -0.37 -2.22 0.00 0.00 0.00 176.54 173.78 1cdn h ILE 9 N -0.20 0.24 -0.55 2.60 2.04 -0.73 0.11 117.51 121.02 1cdn h ILE 9 Ca 0.11 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.08 1cdn h ILE 9 Cb 0.37 0.24 -0.10 0.00 -0.74 0.00 0.00 36.82 36.58 1cdn h ILE 9 CO -0.29 0.00 -0.11 0.15 0.00 0.00 0.00 178.15 177.90 1cdn h PHE 10 N -0.59 -0.24 0.12 1.37 3.04 0.36 0.26 116.94 121.27 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 0.62 0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1cdn h PHE 10 CO -0.33 -0.22 -0.06 0.93 -2.02 0.00 0.00 178.31 176.61 1cdn h GLU 11 N 0.02 -0.16 -0.73 1.11 5.08 -0.52 0.17 114.58 119.56 1cdn h GLU 11 Ca 0.27 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.78 1cdn h GLU 11 Cb 0.41 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.56 1cdn h GLU 11 CO -0.55 0.05 -0.24 -0.22 -1.00 0.00 0.00 179.01 177.06 1cdn h LYS 12 N -0.34 -0.04 0.04 2.33 3.64 0.18 0.15 116.57 122.53 1cdn h LYS 12 Ca -0.02 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1cdn h LYS 12 Cb 0.28 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1cdn h LYS 12 CO 0.03 -0.03 -0.35 1.88 -2.27 0.00 0.00 179.45 178.72 1cdn h TYR 13 N -0.04 0.27 -0.92 1.91 0.05 -0.88 -3.32 116.97 114.05 1cdn h TYR 13 Ca 0.33 -0.18 0.12 0.00 0.05 0.00 0.00 58.73 59.06 1cdn h TYR 13 Cb 0.56 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 38.21 1cdn h TYR 13 CO -0.63 1.07 0.59 0.00 -1.05 0.00 0.00 178.16 178.14 1cdn h ALA 14 N 0.12 1.69 -1.02 3.88 0.00 -0.34 0.78 119.26 124.37 1cdn h ALA 14 Ca -0.05 0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.14 1cdn h ALA 14 Cb 1.20 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1cdn h ALA 14 CO 0.07 0.09 0.69 0.00 0.00 0.00 0.00 179.25 180.10 1cdn h ALA 15 N 1.57 2.52 0.00 0.00 0.00 -0.81 0.19 119.26 122.74 1cdn h ALA 15 Ca 0.45 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 1cdn h ALA 15 Cb 0.55 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1cdn h ALA 15 CO -0.21 -0.87 -0.59 0.87 0.00 0.00 0.00 179.25 178.46 1cdn h LYS 16 N 0.24 0.00 -0.17 0.00 1.57 -0.98 -2.25 116.57 114.99 1cdn h LYS 16 Ca 0.54 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.30 1cdn h LYS 16 Cb 1.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.95 1cdn h LYS 16 CO -0.17 0.59 0.02 1.49 -0.57 0.00 0.00 179.45 180.81 1cdn h GLU 17 N 0.00 0.28 0.00 3.15 4.81 -0.73 -3.48 114.58 118.61 1cdn h GLU 17 Ca -0.01 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1cdn h GLU 17 Cb 1.06 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1cdn h GLU 17 CO 0.08 0.46 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 1cdn n GLY 18 N -0.41 3.34 3.60 1.92 0.00 -0.43 -5.07 105.19 108.15 1cdn n GLY 18 Ca -0.05 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 6.33 0.65 1.61 2.15 -1.25 -4.64 116.67 121.52 1cdn s ASP 19 Ca 0.00 0.92 0.39 0.00 0.43 0.00 0.00 52.55 54.29 1cdn s ASP 19 Cb 0.00 -2.54 2.16 0.00 -0.30 0.00 0.00 42.92 42.24 1cdn s ASP 19 CO 0.00 -1.42 2.26 1.55 -0.17 0.00 0.00 175.17 177.38 1cdn h PRO 20 N 10.78 0.00 -0.00 4.34 0.13 -1.89 -1.44 132.00 143.91 1cdn h PRO 20 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1cdn h PRO 20 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1cdn h PRO 20 CO 1.07 0.00 -0.07 0.09 -0.23 0.00 0.00 178.00 178.86 1cdn n ASN 21 N -3.20 0.33 -3.75 1.44 3.02 -1.26 -4.39 115.26 107.45 1cdn n ASN 21 Ca -0.02 -0.52 -0.13 0.00 -0.03 0.00 0.00 54.58 53.88 1cdn n ASN 21 Cb 0.15 -0.12 -0.13 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 -2.45 0.18 -0.15 3.52 0.74 -0.54 -3.29 119.66 117.68 1cdn s GLN 22 Ca 0.31 0.43 -0.06 0.00 0.05 0.00 0.00 55.36 56.09 1cdn s GLN 22 Cb 0.20 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.19 1cdn s GLN 22 CO 0.46 -0.13 0.06 -0.51 -0.55 0.00 0.00 175.29 174.61 1cdn s LEU 23 N 0.96 3.83 0.92 3.68 1.43 0.30 -4.56 118.68 125.25 1cdn s LEU 23 Ca -0.07 0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 1cdn s LEU 23 Cb -0.09 -1.94 0.17 0.00 0.03 0.00 0.00 46.19 44.36 1cdn s LEU 23 CO -0.06 0.26 1.28 -0.94 0.23 0.00 0.00 176.35 177.12 1cdn s SER 24 N -0.15 3.48 0.19 2.29 1.04 -1.26 -0.73 113.70 118.56 1cdn s SER 24 Ca 0.07 0.43 -0.12 0.00 0.48 0.00 0.00 55.95 56.80 1cdn s SER 24 Cb -0.12 -0.61 0.18 0.00 0.10 0.00 0.00 66.02 65.57 1cdn s SER 24 CO 0.01 -2.52 1.76 0.11 0.98 0.00 0.00 173.24 173.58 1cdn h LYS 25 N -1.49 0.38 -0.22 4.02 1.57 -1.98 0.06 116.57 118.90 1cdn h LYS 25 Ca -0.45 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1cdn h LYS 25 Cb 1.26 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1cdn h LYS 25 CO 0.46 0.25 0.04 1.49 -0.57 0.00 0.00 179.45 181.13 1cdn h GLU 26 N 0.39 0.37 -0.63 3.15 4.57 -1.98 0.22 114.58 120.67 1cdn h GLU 26 Ca 0.25 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.36 1cdn h GLU 26 Cb 0.25 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 1cdn h GLU 26 CO -0.23 0.50 0.38 0.93 -1.18 0.00 0.00 179.01 179.41 1cdn h GLU 27 N 0.17 0.73 -0.63 1.92 3.07 -1.87 0.77 114.58 118.75 1cdn h GLU 27 Ca 0.07 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1cdn h GLU 27 Cb 0.30 -0.17 -0.06 0.00 -0.84 0.00 0.00 28.75 27.99 1cdn h GLU 27 CO 0.00 0.48 0.33 -0.07 -1.40 0.00 0.00 179.01 178.36 1cdn h LEU 28 N 0.75 0.46 -0.04 1.33 3.38 -0.58 0.85 115.31 121.47 1cdn h LEU 28 Ca 0.25 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1cdn h LEU 28 Cb 0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1cdn h LEU 28 CO -0.11 0.30 0.02 0.50 0.09 0.00 0.00 178.44 179.24 1cdn h LYS 29 N 0.60 0.05 -0.14 1.13 3.64 0.79 0.23 116.57 122.87 1cdn h LYS 29 Ca 0.29 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1cdn h LYS 29 Cb 0.22 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1cdn h LYS 29 CO -0.20 0.03 -0.00 -0.07 -2.27 0.00 0.00 179.45 176.94 1cdn h LEU 30 N 0.05 -0.06 -0.08 5.20 4.07 -0.69 0.25 115.31 124.05 1cdn h LEU 30 Ca 0.01 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.04 1cdn h LEU 30 Cb -0.00 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 41.73 1cdn h LEU 30 CO -0.00 -0.01 -0.45 0.25 -1.08 0.00 0.00 178.44 177.15 1cdn h LEU 31 N 0.04 -1.39 -0.12 1.67 6.46 -0.51 -0.30 115.31 121.16 1cdn h LEU 31 Ca 0.07 0.17 0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1cdn h LEU 31 Cb 0.08 0.55 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1cdn h LEU 31 CO -0.11 -0.45 0.05 -0.07 -0.62 0.00 0.00 178.44 177.23 1cdn h LEU 32 N -0.55 0.07 -0.51 2.25 3.38 -0.29 0.65 115.31 120.32 1cdn h LEU 32 Ca 0.06 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1cdn h LEU 32 Cb 0.65 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1cdn h LEU 32 CO -0.38 0.06 0.25 -0.61 0.09 0.00 0.00 178.44 177.85 1cdn h GLN 33 N 0.11 0.47 0.05 1.13 4.15 -0.20 0.39 115.11 121.21 1cdn h GLN 33 Ca 0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1cdn h GLN 33 Cb 0.01 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1cdn h GLN 33 CO -0.04 0.31 -0.02 1.15 -1.93 0.00 0.00 178.83 178.30 1cdn h THR 34 N 0.48 1.25 0.00 2.39 2.02 -0.83 -3.32 112.91 114.90 1cdn h THR 34 Ca 0.23 -1.60 -0.24 0.00 0.77 0.00 0.00 66.41 65.56 1cdn h THR 34 Cb 0.15 2.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.74 1cdn h THR 34 CO -0.17 0.37 -1.58 -0.62 0.37 0.00 0.00 175.52 173.89 1cdn n GLU 35 N -4.77 0.63 -2.94 6.66 -0.58 0.20 -4.62 120.64 115.21 1cdn n GLU 35 Ca -0.08 0.27 -0.13 0.00 -0.42 0.00 0.00 57.16 56.79 1cdn n GLU 35 Cb 0.32 -1.80 0.02 0.00 -0.57 0.00 0.00 31.44 29.41 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 -2.98 -0.38 -0.01 -0.32 3.72 0.13 -4.97 117.46 112.65 1cdn n PHE 36 Ca -0.14 -3.12 0.03 0.00 -0.05 0.00 0.00 57.45 54.17 1cdn n PHE 36 Cb 0.96 0.14 0.38 0.00 -0.94 0.00 0.00 39.48 40.02 1cdn n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1cdn h PRO 37 N 2.92 0.56 -0.94 -1.08 0.13 -1.47 -0.59 132.00 131.52 1cdn h PRO 37 Ca -0.01 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.10 1cdn h PRO 37 Cb 1.07 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 32.03 1cdn h PRO 37 CO 0.38 0.42 0.62 0.77 -0.23 0.00 0.00 178.00 179.97 1cdn h SER 38 N 0.56 1.03 0.40 1.44 0.02 -1.92 -0.28 113.55 114.80 1cdn h SER 38 Ca 0.15 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.77 1cdn h SER 38 Cb 0.04 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 62.37 1cdn h SER 38 CO -0.02 0.70 -1.43 -0.07 -1.14 0.00 0.00 176.83 174.87 1cdn h LEU 39 N 1.19 0.66 -0.71 5.07 3.38 -1.57 0.21 115.31 123.54 1cdn h LEU 39 Ca 0.37 -0.73 0.11 0.00 0.09 0.00 0.00 57.88 57.72 1cdn h LEU 39 Cb 0.01 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.47 1cdn h LEU 39 CO -0.11 1.58 0.32 0.25 0.09 0.00 0.00 178.44 180.57 1cdn h LEU 40 N 0.11 0.38 0.13 1.67 5.85 -0.56 -2.53 115.31 120.37 1cdn h LEU 40 Ca -0.22 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1cdn h LEU 40 Cb 2.09 0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.15 1cdn h LEU 40 CO 0.24 0.20 -0.06 0.11 -0.34 0.00 0.00 178.44 178.58 1cdn h LYS 41 N 0.53 -0.17 -3.77 1.25 1.57 -1.11 -3.39 116.57 111.48 1cdn h LYS 41 Ca 0.36 0.01 -0.70 0.00 -1.87 0.00 0.00 60.65 58.46 1cdn h LYS 41 Cb 0.45 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1cdn h LYS 41 CO -0.31 -0.12 3.29 0.41 -0.57 0.00 0.00 179.45 182.15 1cdn n GLY 42 N 0.40 4.33 3.82 3.86 0.00 0.73 -4.82 105.19 113.51 1cdn n GLY 42 Ca -0.02 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 1cdn n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cdn s GLY 43 N 3.00 -0.05 0.99 -0.02 0.00 -0.97 -4.58 107.32 105.69 1cdn s GLY 43 Ca 0.53 -0.09 -0.12 0.00 0.00 0.00 0.00 44.72 45.03 1cdn s GLY 43 CO -0.08 1.46 0.84 1.44 0.00 0.00 0.00 173.10 176.76 1cdn n SER 44 N -0.91 -0.87 -4.69 1.64 7.64 -1.26 -4.97 113.62 110.21 1cdn n SER 44 Ca -0.04 0.25 -0.34 0.00 1.01 0.00 0.00 58.87 59.75 1cdn n SER 44 Cb 0.60 -1.33 0.12 0.00 -1.01 0.00 0.00 64.21 62.59 1cdn n SER 44 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1cdn n THR 45 N -4.23 2.23 -0.24 0.44 -2.24 -1.26 -4.67 114.28 104.32 1cdn n THR 45 Ca 0.08 -0.23 0.04 0.00 -2.27 0.00 0.00 64.05 61.67 1cdn n THR 45 Cb 0.54 -1.21 0.16 0.00 -2.10 0.00 0.00 70.33 67.71 1cdn n THR 45 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1cdn h LEU 46 N -0.81 -0.02 0.32 3.22 5.85 -1.93 0.11 115.31 122.05 1cdn h LEU 46 Ca -0.47 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1cdn h LEU 46 Cb 1.30 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 1cdn h LEU 46 CO 0.46 -0.04 -0.25 0.44 -0.34 0.00 0.00 178.44 178.71 1cdn h ASP 47 N 0.25 -0.66 -0.45 1.25 5.19 -1.98 0.21 116.42 120.23 1cdn h ASP 47 Ca 0.39 0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.92 1cdn h ASP 47 Cb 0.64 0.21 -0.06 0.00 0.18 0.00 0.00 39.33 40.30 1cdn h ASP 47 CO -0.49 -0.38 0.09 -0.33 -3.12 0.00 0.00 179.24 175.00 1cdn h GLU 48 N -0.58 0.21 -0.17 3.56 5.08 -1.67 0.40 114.58 121.41 1cdn h GLU 48 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1cdn h GLU 48 Cb 0.51 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1cdn h GLU 48 CO -0.01 0.14 0.11 1.25 -1.00 0.00 0.00 179.01 179.50 1cdn h LEU 49 N 0.22 0.20 -0.35 1.33 5.85 -0.55 0.11 115.31 122.12 1cdn h LEU 49 Ca 0.22 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1cdn h LEU 49 Cb 0.28 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1cdn h LEU 49 CO -0.29 0.17 -0.03 0.15 -0.34 0.00 0.00 178.44 178.10 1cdn h PHE 50 N 0.22 -0.07 -0.63 1.25 3.57 0.04 -0.61 116.94 120.70 1cdn h PHE 50 Ca 0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1cdn h PHE 50 Cb -0.00 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1cdn h PHE 50 CO -0.06 -0.09 0.38 0.93 -2.23 0.00 0.00 178.31 177.24 1cdn h GLU 51 N 0.07 0.86 -0.86 1.11 5.08 -0.61 0.17 114.58 120.40 1cdn h GLU 51 Ca 0.17 -0.08 0.14 0.00 -1.00 0.00 0.00 59.36 58.59 1cdn h GLU 51 Cb 0.24 -0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.22 1cdn h GLU 51 CO -0.31 0.62 0.46 1.49 -1.00 0.00 0.00 179.01 180.27 1cdn h GLU 52 N 0.86 0.65 0.16 2.33 4.81 0.34 -2.62 114.58 121.12 1cdn h GLU 52 Ca 0.23 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1cdn h GLU 52 Cb -0.02 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1cdn h GLU 52 CO -0.04 0.43 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.52 1cdn h LEU 53 N 0.67 -0.19 -7.79 1.64 3.38 -0.51 -3.42 115.31 109.10 1cdn h LEU 53 Ca 0.46 0.01 -0.71 0.00 0.09 0.00 0.00 57.88 57.73 1cdn h LEU 53 Cb 0.61 0.05 -0.33 0.00 0.09 0.00 0.00 40.66 41.08 1cdn h LEU 53 CO -0.34 0.13 -0.41 -0.62 0.09 0.00 0.00 178.44 177.29 1cdn s ASP 54 N -4.43 5.48 0.03 -0.43 2.15 0.54 -4.87 116.67 115.14 1cdn s ASP 54 Ca -0.03 -2.28 -0.31 0.00 0.43 0.00 0.00 52.55 50.35 1cdn s ASP 54 Cb 0.00 -1.91 -0.17 0.00 -0.30 0.00 0.00 42.92 40.53 1cdn s ASP 54 CO 0.10 -0.54 1.30 0.11 -0.17 0.00 0.00 175.17 175.97 1cdn h LYS 55 N 7.85 -1.08 -0.03 4.34 6.56 -1.70 -3.37 116.57 129.14 1cdn h LYS 55 Ca -0.11 0.07 -0.15 0.00 -1.06 0.00 0.00 60.65 59.40 1cdn h LYS 55 Cb 1.03 0.24 -0.21 0.00 -0.57 0.00 0.00 32.23 32.72 1cdn h LYS 55 CO 0.76 -0.72 -0.51 0.27 -2.06 0.00 0.00 179.45 177.19 1cdn n ASN 56 N -5.52 -0.46 0.00 0.86 6.94 -1.26 -4.92 115.26 110.90 1cdn n ASN 56 Ca -0.14 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.39 1cdn n ASN 56 Cb 0.44 0.18 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 1cdn n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cdn n GLY 57 N -0.16 -1.72 0.00 4.83 0.00 -1.26 -4.64 105.19 102.23 1cdn n GLY 57 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.94 0.47 0.00 1.61 5.68 -1.26 -5.02 116.55 116.09 1cdn n ASP 58 Ca 0.00 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 1cdn n ASP 58 Cb 0.00 0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 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 0.05 0.83 3.43 6.12 0.00 -1.26 -5.00 105.19 109.36 1cdn n GLY 59 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.27 1.71 -0.36 1.61 2.02 -1.26 -4.94 118.70 117.22 1cdn s GLU 60 Ca 0.00 -1.69 -0.05 0.00 0.02 0.00 0.00 54.97 53.25 1cdn s GLU 60 Cb 0.00 0.40 0.07 0.00 0.10 0.00 0.00 34.13 34.70 1cdn s GLU 60 CO 0.00 -0.68 0.12 0.08 0.02 0.00 0.00 175.26 174.80 1cdn s VAL 61 N -3.45 3.48 0.59 2.63 1.01 0.09 -4.73 120.40 120.02 1cdn s VAL 61 Ca 0.32 -1.49 -0.09 0.00 0.00 0.00 0.00 61.98 60.72 1cdn s VAL 61 Cb 0.01 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1cdn s VAL 61 CO 0.18 -0.34 0.96 -0.94 0.00 0.00 0.00 175.10 174.96 1cdn s SER 62 N 1.58 6.13 0.17 3.32 1.04 -1.26 -0.54 113.70 124.14 1cdn s SER 62 Ca 0.01 1.20 -0.16 0.00 0.48 0.00 0.00 55.95 57.48 1cdn s SER 62 Cb -0.21 -2.30 0.12 0.00 0.10 0.00 0.00 66.02 63.73 1cdn s SER 62 CO -0.00 -0.84 1.66 0.15 0.98 0.00 0.00 173.24 175.19 1cdn h PHE 63 N -0.18 -0.22 -0.58 5.02 3.57 -1.94 0.94 116.94 123.55 1cdn h PHE 63 Ca -0.45 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.26 1cdn h PHE 63 Cb 1.20 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 1cdn h PHE 63 CO 0.61 -0.19 0.46 1.05 -2.23 0.00 0.00 178.31 178.02 1cdn h GLU 64 N 0.01 0.00 0.00 1.11 4.11 -1.94 -0.27 114.58 117.59 1cdn h GLU 64 Ca 0.21 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.28 1cdn h GLU 64 Cb 0.33 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1cdn h GLU 64 CO -0.45 0.00 -2.38 -0.85 0.07 0.00 0.00 179.01 175.39 1cdn n GLU 65 N -4.13 0.71 -0.16 1.06 0.28 -0.57 -4.04 120.64 113.79 1cdn n GLU 65 Ca 0.11 -0.01 0.21 0.00 -0.16 0.00 0.00 57.16 57.32 1cdn n GLU 65 Cb 0.70 -1.52 0.61 0.00 1.43 0.00 0.00 31.44 32.66 1cdn n GLU 65 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1cdn h PHE 66 N 0.00 0.27 -1.19 -1.84 3.57 0.37 0.15 116.94 118.26 1cdn h PHE 66 Ca -0.55 0.01 0.34 0.00 3.53 0.00 0.00 57.97 61.31 1cdn h PHE 66 Cb 2.23 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 40.80 1cdn h PHE 66 CO 0.00 0.08 0.79 1.96 -2.23 0.00 0.00 178.31 178.91 1cdn h GLN 67 N 0.21 0.20 0.00 1.11 7.50 -1.24 0.37 115.11 123.26 1cdn h GLN 67 Ca 0.40 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.52 1cdn h GLN 67 Cb 1.25 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 28.73 1cdn h GLN 67 CO -0.08 0.13 -0.06 0.28 -1.50 0.00 0.00 178.83 177.60 1cdn h VAL 68 N 0.21 1.00 0.03 -0.54 2.07 -0.94 0.15 116.25 118.23 1cdn h VAL 68 Ca 0.67 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.98 1cdn h VAL 68 Cb 2.07 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1cdn h VAL 68 CO -0.26 0.06 -0.01 0.25 0.02 0.00 0.00 177.57 177.63 1cdn h LEU 69 N 0.00 -0.03 -0.67 2.57 6.46 -0.40 -0.71 115.31 122.53 1cdn h LEU 69 Ca -0.00 -0.56 0.09 0.00 -0.12 0.00 0.00 57.88 57.30 1cdn h LEU 69 Cb 0.11 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.97 1cdn h LEU 69 CO 0.01 0.56 0.31 0.58 -0.62 0.00 0.00 178.44 179.27 1cdn h VAL 70 N -0.64 0.82 0.14 1.05 2.07 -1.06 0.83 116.25 119.46 1cdn h VAL 70 Ca -0.00 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1cdn h VAL 70 Cb 0.59 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1cdn h VAL 70 CO 0.01 0.10 -0.44 0.50 0.02 0.00 0.00 177.57 177.75 1cdn h LYS 71 N 0.53 -0.66 -0.88 1.57 3.64 -0.66 -2.00 116.57 118.11 1cdn h LYS 71 Ca 0.33 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.95 1cdn h LYS 71 Cb 0.37 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 1cdn h LYS 71 CO -0.28 -0.44 0.42 0.87 -2.27 0.00 0.00 179.45 177.75 1cdn h LYS 72 N -0.69 0.47 -0.49 1.90 6.56 0.31 0.22 116.57 124.85 1cdn h LYS 72 Ca 0.01 -0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.60 1cdn h LYS 72 Cb 0.70 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.23 1cdn h LYS 72 CO -0.24 0.31 0.32 0.82 -2.06 0.00 0.00 179.45 178.61 1cdn h ILE 73 N 0.49 1.06 -6.34 1.86 2.04 -0.29 -3.47 117.51 112.86 1cdn h ILE 73 Ca 0.53 -0.19 -0.47 0.00 1.00 0.00 0.00 64.86 65.73 1cdn h ILE 73 Cb 0.92 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1cdn h ILE 73 CO -0.47 0.10 -0.88 -1.20 0.00 0.00 0.00 178.15 175.71 1cdn n SER 74 N -4.47 -1.37 0.00 1.72 7.64 0.75 -5.11 113.62 112.79 1cdn n SER 74 Ca 0.05 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1cdn n SER 74 Cb 0.13 -3.38 0.00 0.00 -1.01 0.00 0.00 64.21 59.95 1cdn n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03