#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 4.49 0.33 4.39 1.04 -1.26 -4.77 113.70 117.91 1cdn s SER 2 Ca 0.00 1.86 0.11 0.00 0.48 0.00 0.00 55.95 58.40 1cdn s SER 2 Cb 0.00 -2.53 0.95 0.00 0.10 0.00 0.00 66.02 64.54 1cdn s SER 2 CO 0.00 -2.05 1.71 -0.65 0.98 0.00 0.00 173.24 173.23 1cdn h PRO 3 N -1.04 0.48 -0.06 4.02 0.11 -1.98 0.13 132.00 133.66 1cdn h PRO 3 Ca -0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1cdn h PRO 3 Cb 1.23 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1cdn h PRO 3 CO 0.51 0.32 0.03 1.49 -0.21 0.00 0.00 178.00 180.14 1cdn h GLU 4 N 0.49 0.08 -0.42 1.05 4.81 -1.99 0.17 114.58 118.77 1cdn h GLU 4 Ca 0.67 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.89 1cdn h GLU 4 Cb 1.36 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 1cdn h GLU 4 CO -0.52 0.11 0.26 0.93 -0.73 0.00 0.00 179.01 179.06 1cdn h GLU 5 N 0.03 0.57 -0.99 1.92 5.08 -1.56 -0.55 114.58 119.08 1cdn h GLU 5 Ca 0.02 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1cdn h GLU 5 Cb 0.05 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 1cdn h GLU 5 CO -0.00 0.41 0.65 -0.07 -1.00 0.00 0.00 179.01 179.00 1cdn h LEU 6 N 0.56 1.07 0.31 1.33 3.38 -0.53 0.15 115.31 121.58 1cdn h LEU 6 Ca 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1cdn h LEU 6 Cb -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1cdn h LEU 6 CO -0.03 0.72 -0.15 0.50 0.09 0.00 0.00 178.44 179.58 1cdn h LYS 7 N 1.24 -0.40 -0.36 1.13 1.63 -0.23 0.22 116.57 119.80 1cdn h LYS 7 Ca 0.40 0.03 0.08 0.00 -0.85 0.00 0.00 60.65 60.31 1cdn h LYS 7 Cb 0.03 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.67 1cdn h LYS 7 CO -0.13 -0.26 -0.21 0.78 -3.45 0.00 0.00 179.45 176.17 1cdn h GLY 8 N -0.42 0.01 0.61 5.01 0.00 -0.14 0.15 103.07 108.30 1cdn h GLY 8 Ca -0.04 0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.56 1cdn h GLY 8 CO 0.07 -0.20 -0.28 -2.22 0.00 0.00 0.00 176.54 173.91 1cdn h ILE 9 N -0.16 0.40 -0.55 2.60 1.08 -0.71 0.45 117.51 120.62 1cdn h ILE 9 Ca 0.18 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.76 1cdn h ILE 9 Cb 0.43 0.40 -0.10 0.00 -3.07 0.00 0.00 36.82 34.48 1cdn h ILE 9 CO -0.45 0.00 -0.13 0.15 -0.69 0.00 0.00 178.15 177.03 1cdn h PHE 10 N -0.55 -0.28 0.09 1.37 3.04 0.29 -0.91 116.94 120.00 1cdn h PHE 10 Ca 0.01 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 1cdn h PHE 10 Cb 0.54 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.26 1cdn h PHE 10 CO -0.21 -0.23 -0.04 0.93 -2.02 0.00 0.00 178.31 176.74 1cdn h GLU 11 N 0.01 -0.12 -0.74 1.11 5.08 -0.41 0.14 114.58 119.65 1cdn h GLU 11 Ca 0.27 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.77 1cdn h GLU 11 Cb 0.41 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.54 1cdn h GLU 11 CO -0.56 0.01 -0.25 -0.22 -1.00 0.00 0.00 179.01 176.99 1cdn h LYS 12 N -0.22 -0.05 0.06 2.33 3.64 0.08 0.13 116.57 122.53 1cdn h LYS 12 Ca -0.01 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1cdn h LYS 12 Cb 0.19 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1cdn h LYS 12 CO 0.02 -0.03 -0.49 1.88 -2.27 0.00 0.00 179.45 178.56 1cdn h TYR 13 N -0.05 0.38 -0.80 1.91 0.05 -1.04 -3.32 116.97 114.10 1cdn h TYR 13 Ca 0.33 -0.25 0.06 0.00 0.05 0.00 0.00 58.73 58.92 1cdn h TYR 13 Cb 0.56 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.22 1cdn h TYR 13 CO -0.64 1.14 0.49 0.00 -1.05 0.00 0.00 178.16 178.09 1cdn h ALA 14 N 0.14 1.09 -0.82 3.88 0.00 -0.41 0.11 119.26 123.26 1cdn h ALA 14 Ca -0.08 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.07 1cdn h ALA 14 Cb 1.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1cdn h ALA 14 CO 0.09 0.23 0.60 0.00 0.00 0.00 0.00 179.25 180.17 1cdn h ALA 15 N 1.38 2.76 -0.20 0.00 0.00 -0.87 0.60 119.26 122.93 1cdn h ALA 15 Ca 0.35 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1cdn h ALA 15 Cb 0.16 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1cdn h ALA 15 CO -0.17 -1.02 -0.28 -0.22 0.00 0.00 0.00 179.25 177.56 1cdn h LYS 16 N 0.00 0.39 -0.04 0.00 3.64 -0.87 -2.07 116.57 117.62 1cdn h LYS 16 Ca 0.39 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1cdn h LYS 16 Cb 1.58 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1cdn h LYS 16 CO -0.00 0.64 -0.04 0.93 -2.27 0.00 0.00 179.45 178.71 1cdn h GLU 17 N 0.34 0.10 0.00 1.90 4.39 -0.98 -3.49 114.58 116.85 1cdn h GLU 17 Ca 0.05 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1cdn h GLU 17 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1cdn h GLU 17 CO 0.05 0.55 0.00 0.41 -1.16 0.00 0.00 179.01 178.86 1cdn n GLY 18 N 0.18 2.04 3.61 -3.84 0.00 -0.45 -5.09 105.19 101.63 1cdn n GLY 18 Ca -0.08 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 6.05 0.65 1.61 2.15 -1.25 -4.45 116.67 121.42 1cdn s ASP 19 Ca 0.00 1.39 0.42 0.00 0.43 0.00 0.00 52.55 54.79 1cdn s ASP 19 Cb 0.00 -2.53 2.28 0.00 -0.30 0.00 0.00 42.92 42.37 1cdn s ASP 19 CO 0.00 -1.57 2.33 1.55 -0.17 0.00 0.00 175.17 177.31 1cdn h PRO 20 N 12.18 0.00 -0.01 4.34 0.13 -1.89 -2.64 132.00 144.11 1cdn h PRO 20 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1cdn h PRO 20 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1cdn h PRO 20 CO 1.02 0.00 -0.03 0.09 -0.23 0.00 0.00 178.00 178.86 1cdn n ASN 21 N -3.20 0.70 -3.68 1.44 3.02 -1.26 -4.37 115.26 107.92 1cdn n ASN 21 Ca -0.03 -1.09 -0.10 0.00 -0.03 0.00 0.00 54.58 53.33 1cdn n ASN 21 Cb 0.09 -0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.34 -0.12 3.52 0.74 -0.99 -3.04 119.66 117.99 1cdn s GLN 22 Ca 0.39 0.88 -0.09 0.00 0.05 0.00 0.00 55.36 56.60 1cdn s GLN 22 Cb 0.21 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.40 1cdn s GLN 22 CO 0.38 -0.21 0.19 -0.51 -0.55 0.00 0.00 175.29 174.59 1cdn s LEU 23 N 1.99 4.37 0.88 3.68 1.43 0.16 -4.62 118.68 126.57 1cdn s LEU 23 Ca -0.05 0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 53.42 1cdn s LEU 23 Cb -0.10 -2.16 0.14 0.00 0.03 0.00 0.00 46.19 44.09 1cdn s LEU 23 CO -0.12 0.35 1.23 -0.94 0.23 0.00 0.00 176.35 177.10 1cdn s SER 24 N -0.77 3.84 0.20 2.29 1.04 -1.26 -0.70 113.70 118.34 1cdn s SER 24 Ca 0.15 0.47 -0.10 0.00 0.48 0.00 0.00 55.95 56.96 1cdn s SER 24 Cb -0.13 -0.75 0.22 0.00 0.10 0.00 0.00 66.02 65.46 1cdn s SER 24 CO 0.05 -2.29 1.81 0.11 0.98 0.00 0.00 173.24 173.89 1cdn h LYS 25 N -1.30 0.64 0.17 4.02 1.57 -1.99 0.02 116.57 119.70 1cdn h LYS 25 Ca -0.45 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1cdn h LYS 25 Cb 1.28 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1cdn h LYS 25 CO 0.51 0.43 -0.08 0.93 -0.57 0.00 0.00 179.45 180.67 1cdn h GLU 26 N 0.66 -0.22 -0.85 3.15 3.07 -1.98 0.27 114.58 118.68 1cdn h GLU 26 Ca 0.29 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.21 1cdn h GLU 26 Cb 0.17 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.07 1cdn h GLU 26 CO -0.17 -0.02 0.53 0.93 -1.40 0.00 0.00 179.01 178.88 1cdn h GLU 27 N -0.38 0.97 -0.68 2.33 3.07 -1.89 0.11 114.58 118.11 1cdn h GLU 27 Ca -0.02 -0.06 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1cdn h GLU 27 Cb 0.30 -0.22 -0.05 0.00 -0.84 0.00 0.00 28.75 27.94 1cdn h GLU 27 CO 0.04 0.64 0.41 -0.07 -1.40 0.00 0.00 179.01 178.62 1cdn h LEU 28 N 1.00 0.64 -0.06 1.33 3.38 -0.60 0.13 115.31 121.13 1cdn h LEU 28 Ca 0.36 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1cdn h LEU 28 Cb 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1cdn h LEU 28 CO -0.15 0.43 0.04 0.50 0.09 0.00 0.00 178.44 179.34 1cdn h LYS 29 N 0.77 0.08 -0.40 1.13 3.64 0.13 0.21 116.57 122.13 1cdn h LYS 29 Ca 0.29 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1cdn h LYS 29 Cb 0.10 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1cdn h LYS 29 CO -0.14 0.11 0.20 -0.07 -2.27 0.00 0.00 179.45 177.28 1cdn h LEU 30 N 0.03 0.51 -0.02 5.20 3.38 -0.72 0.16 115.31 123.85 1cdn h LEU 30 Ca 0.02 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1cdn h LEU 30 Cb 0.05 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1cdn h LEU 30 CO -0.00 0.47 -0.45 0.25 0.09 0.00 0.00 178.44 178.80 1cdn h LEU 31 N 0.51 -1.37 0.41 1.67 6.46 -0.52 0.69 115.31 123.16 1cdn h LEU 31 Ca 0.14 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 1cdn h LEU 31 Cb 0.09 0.53 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1cdn h LEU 31 CO -0.02 -0.47 -0.42 -0.07 -0.62 0.00 0.00 178.44 176.84 1cdn h LEU 32 N -0.58 -1.15 -0.32 2.25 3.38 -0.33 0.41 115.31 118.98 1cdn h LEU 32 Ca 0.05 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1cdn h LEU 32 Cb 0.67 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 1cdn h LEU 32 CO -0.34 -0.57 -0.11 -0.61 0.09 0.00 0.00 178.44 176.90 1cdn h GLN 33 N -0.85 -0.04 -0.00 1.13 4.15 -0.52 0.27 115.11 119.24 1cdn h GLN 33 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1cdn h GLN 33 Cb 0.76 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1cdn h GLN 33 CO -0.07 -0.03 -0.00 1.15 -1.93 0.00 0.00 178.83 177.95 1cdn h THR 34 N -0.04 1.58 0.02 2.39 2.02 -0.75 -3.36 112.91 114.77 1cdn h THR 34 Ca 0.16 -1.70 -0.34 0.00 0.77 0.00 0.00 66.41 65.29 1cdn h THR 34 Cb 0.28 2.74 -0.05 0.00 -1.74 0.00 0.00 68.15 69.37 1cdn h THR 34 CO -0.35 0.44 -2.06 -0.62 0.37 0.00 0.00 175.52 173.30 1cdn n GLU 35 N -4.74 0.67 -3.20 6.66 -0.58 0.13 -4.72 120.64 114.86 1cdn n GLU 35 Ca -0.09 0.17 -0.24 0.00 -0.42 0.00 0.00 57.16 56.59 1cdn n GLU 35 Cb 0.36 -1.66 -0.07 0.00 -0.57 0.00 0.00 31.44 29.50 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 -3.03 -0.07 -0.31 -0.32 3.01 0.92 -4.94 117.46 112.72 1cdn n PHE 36 Ca -0.28 -3.62 0.35 0.00 1.01 0.00 0.00 57.45 54.91 1cdn n PHE 36 Cb 1.08 -0.37 0.74 0.00 -0.01 0.00 0.00 39.48 40.92 1cdn n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1cdn h PRO 37 N 3.89 0.00 0.29 -1.08 0.11 -1.64 -0.43 132.00 133.14 1cdn h PRO 37 Ca 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1cdn h PRO 37 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1cdn h PRO 37 CO 0.49 0.00 -0.14 0.66 -0.21 0.00 0.00 178.00 178.80 1cdn h SER 38 N 0.00 -0.33 -0.86 -2.05 4.64 -1.92 -3.22 113.55 109.81 1cdn h SER 38 Ca 0.56 0.01 0.17 0.00 -0.47 0.00 0.00 61.79 62.06 1cdn h SER 38 Cb 2.32 0.09 -0.06 0.00 -0.31 0.00 0.00 62.40 64.43 1cdn h SER 38 CO -0.01 -0.22 0.56 -0.07 -0.87 0.00 0.00 176.83 176.23 1cdn h LEU 39 N -0.42 0.48 -0.91 5.97 3.38 -1.62 0.22 115.31 122.42 1cdn h LEU 39 Ca -0.04 0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.17 1cdn h LEU 39 Cb 0.30 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.88 1cdn h LEU 39 CO 0.07 0.22 0.45 0.25 0.09 0.00 0.00 178.44 179.52 1cdn h LEU 40 N 0.50 0.46 0.10 1.67 5.85 -1.14 -2.06 115.31 120.69 1cdn h LEU 40 Ca 0.44 0.13 -0.33 0.00 0.84 0.00 0.00 57.88 58.96 1cdn h LEU 40 Cb 0.94 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1cdn h LEU 40 CO -0.17 0.08 -1.79 0.11 -0.34 0.00 0.00 178.44 176.33 1cdn h LYS 41 N 0.50 0.21 -2.70 1.25 6.56 -0.88 -3.42 116.57 118.09 1cdn h LYS 41 Ca 0.55 -0.36 -0.31 0.00 -1.06 0.00 0.00 60.65 59.48 1cdn h LYS 41 Cb 0.99 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.76 1cdn h LYS 41 CO -0.47 1.02 1.34 0.41 -2.06 0.00 0.00 179.45 179.70 1cdn n GLY 42 N 1.80 3.01 3.64 3.86 0.00 0.53 -4.66 105.19 113.36 1cdn n GLY 42 Ca -0.24 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 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 2.53 0.20 0.17 -0.02 0.00 -1.25 -4.84 107.32 104.10 1cdn s GLY 43 Ca 0.51 3.19 -0.21 0.00 0.00 0.00 0.00 44.72 48.22 1cdn s GLY 43 CO -0.02 1.72 1.61 1.76 0.00 0.00 0.00 173.10 178.17 1cdn h SER 44 N 3.07 -0.94 -5.13 1.64 0.02 -1.95 -3.43 113.55 106.83 1cdn h SER 44 Ca -0.23 0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1cdn h SER 44 Cb 1.19 0.46 -0.13 0.00 0.14 0.00 0.00 62.40 64.07 1cdn h SER 44 CO 0.18 -0.29 -0.19 0.42 -1.14 0.00 0.00 176.83 175.82 1cdn s THR 45 N -6.06 0.09 0.24 -2.27 -4.23 -1.26 -5.00 115.64 97.16 1cdn s THR 45 Ca -0.15 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1cdn s THR 45 Cb 0.14 -1.36 0.21 0.00 1.34 0.00 0.00 72.50 72.83 1cdn s THR 45 CO 0.69 -0.40 1.77 0.25 -0.54 0.00 0.00 174.62 176.39 1cdn h LEU 46 N 2.49 0.47 0.20 4.79 5.85 -1.90 0.32 115.31 127.53 1cdn h LEU 46 Ca -0.33 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 1cdn h LEU 46 Cb 1.24 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1cdn h LEU 46 CO 0.49 0.23 -0.14 0.44 -0.34 0.00 0.00 178.44 179.12 1cdn h ASP 47 N 0.60 -0.35 -0.46 1.25 5.19 -1.98 0.24 116.42 120.90 1cdn h ASP 47 Ca 0.41 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.86 1cdn h ASP 47 Cb 0.52 0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.11 1cdn h ASP 47 CO -0.33 -0.22 0.29 -0.33 -3.12 0.00 0.00 179.24 175.53 1cdn h GLU 48 N -0.34 0.57 0.10 3.56 5.08 -1.85 0.37 114.58 122.07 1cdn h GLU 48 Ca -0.01 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1cdn h GLU 48 Cb 0.29 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1cdn h GLU 48 CO 0.00 0.38 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.04 1cdn h LEU 49 N 0.58 -0.79 -0.38 1.33 3.38 -0.73 0.61 115.31 119.31 1cdn h LEU 49 Ca 0.18 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.32 1cdn h LEU 49 Cb -0.02 0.30 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1cdn h LEU 49 CO -0.06 -0.36 -0.09 0.15 0.09 0.00 0.00 178.44 178.16 1cdn h PHE 50 N -0.48 -0.19 -0.22 1.13 3.57 -0.05 0.18 116.94 120.88 1cdn h PHE 50 Ca 0.03 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1cdn h PHE 50 Cb 0.52 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1cdn h PHE 50 CO -0.26 -0.16 0.10 1.49 -2.23 0.00 0.00 178.31 177.25 1cdn h GLU 51 N 0.01 0.21 -0.99 1.11 4.57 -0.72 0.18 114.58 118.95 1cdn h GLU 51 Ca 0.18 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.43 1cdn h GLU 51 Cb 0.28 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.75 1cdn h GLU 51 CO -0.39 0.14 0.64 1.49 -1.18 0.00 0.00 179.01 179.70 1cdn h GLU 52 N 0.21 1.08 0.11 1.92 4.81 0.46 -2.96 114.58 120.21 1cdn h GLU 52 Ca 0.09 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 1cdn h GLU 52 Cb 0.04 -0.24 0.02 0.00 0.63 0.00 0.00 28.75 29.20 1cdn h GLU 52 CO -0.08 0.71 -0.81 -0.07 -0.73 0.00 0.00 179.01 178.04 1cdn h LEU 53 N 1.11 0.53 -5.08 1.64 3.38 -0.29 -3.38 115.31 113.22 1cdn h LEU 53 Ca 0.44 -0.89 -0.37 0.00 0.09 0.00 0.00 57.88 57.14 1cdn h LEU 53 Cb 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1cdn h LEU 53 CO -0.19 1.37 2.20 -0.67 0.09 0.00 0.00 178.44 181.24 1cdn n ASP 54 N -4.11 5.37 0.04 -0.43 2.03 0.60 -4.32 116.55 115.73 1cdn n ASP 54 Ca -0.13 -2.33 0.03 0.00 0.52 0.00 0.00 54.79 52.88 1cdn n ASP 54 Cb 0.80 -1.16 0.42 0.00 -0.72 0.00 0.00 41.12 40.46 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 5.47 0.44 0.00 -0.67 1.79 -1.75 -0.03 116.57 121.82 1cdn h LYS 55 Ca 0.48 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1cdn h LYS 55 Cb 0.40 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1cdn h LYS 55 CO 1.24 0.36 0.00 0.27 -1.08 0.00 0.00 179.45 180.24 1cdn n ASN 56 N -4.41 0.00 -2.42 0.86 0.23 -1.26 -4.93 115.26 103.33 1cdn n ASN 56 Ca 0.02 0.44 -0.19 0.00 -0.53 0.00 0.00 54.58 54.31 1cdn n ASN 56 Cb 0.13 -0.48 0.01 0.00 -2.08 0.00 0.00 39.78 37.36 1cdn n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cdn n GLY 57 N 0.80 -0.41 0.00 4.83 0.00 -0.03 -4.90 105.19 105.48 1cdn n GLY 57 Ca 0.06 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.83 0.00 0.00 1.61 5.68 -1.26 -4.89 116.55 115.86 1cdn n ASP 58 Ca -0.17 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1cdn n ASP 58 Cb 0.64 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 1.13 0.69 3.69 6.12 0.00 -1.26 -5.01 105.19 110.54 1cdn n GLY 59 Ca 0.11 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.52 2.09 -0.24 1.61 2.02 -1.26 -4.87 118.70 117.53 1cdn s GLU 60 Ca 0.00 -1.53 -0.00 0.00 0.02 0.00 0.00 54.97 53.45 1cdn s GLU 60 Cb 0.00 0.56 0.03 0.00 0.10 0.00 0.00 34.13 34.82 1cdn s GLU 60 CO 0.00 -0.94 -0.10 0.08 0.02 0.00 0.00 175.26 174.33 1cdn s VAL 61 N -2.69 2.59 0.61 2.63 1.01 0.12 -4.67 120.40 120.00 1cdn s VAL 61 Ca 0.21 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1cdn s VAL 61 Cb -0.03 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1cdn s VAL 61 CO 0.14 0.22 0.94 -0.55 0.00 0.00 0.00 175.10 175.86 1cdn s SER 62 N 1.28 5.62 0.24 3.32 0.15 -1.26 -0.66 113.70 122.38 1cdn s SER 62 Ca -0.01 0.83 -0.06 0.00 0.70 0.00 0.00 55.95 57.41 1cdn s SER 62 Cb -0.17 -1.80 0.23 0.00 -1.71 0.00 0.00 66.02 62.57 1cdn s SER 62 CO -0.06 -1.09 1.85 0.15 1.20 0.00 0.00 173.24 175.29 1cdn h PHE 63 N -0.25 1.20 0.64 3.44 3.57 -1.91 0.84 116.94 124.46 1cdn h PHE 63 Ca -0.45 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 60.97 1cdn h PHE 63 Cb 1.25 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 39.62 1cdn h PHE 63 CO 0.49 0.85 -0.31 0.93 -2.23 0.00 0.00 178.31 178.04 1cdn h GLU 64 N 1.20 -0.83 -0.32 1.11 5.08 -1.95 -2.52 114.58 116.36 1cdn h GLU 64 Ca 0.30 0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 1cdn h GLU 64 Cb 0.08 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1cdn h GLU 64 CO -0.04 -0.52 -0.03 1.05 -1.00 0.00 0.00 179.01 178.47 1cdn h GLU 65 N -0.97 0.50 -0.43 2.33 4.11 -1.82 0.01 114.58 118.31 1cdn h GLU 65 Ca -0.09 -0.11 0.12 0.00 0.07 0.00 0.00 59.36 59.35 1cdn h GLU 65 Cb 0.69 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1cdn h GLU 65 CO 0.14 0.56 0.49 0.35 0.07 0.00 0.00 179.01 180.62 1cdn h PHE 66 N 0.48 0.00 -0.20 2.06 3.57 -0.70 0.23 116.94 122.37 1cdn h PHE 66 Ca 0.10 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.66 1cdn h PHE 66 Cb 0.36 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1cdn h PHE 66 CO 0.01 0.00 0.31 1.96 -2.23 0.00 0.00 178.31 178.36 1cdn h GLN 67 N 0.00 0.00 -0.73 1.11 1.08 -0.54 0.28 115.11 116.31 1cdn h GLN 67 Ca 0.20 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.57 1cdn h GLN 67 Cb 1.19 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.57 1cdn h GLN 67 CO -0.00 0.00 0.50 0.28 -0.95 0.00 0.00 178.83 178.65 1cdn h VAL 68 N 0.00 0.76 0.07 -0.54 2.07 -1.13 0.25 116.25 117.73 1cdn h VAL 68 Ca 0.10 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1cdn h VAL 68 Cb 0.72 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1cdn h VAL 68 CO -0.00 0.06 -0.03 0.25 0.02 0.00 0.00 177.57 177.86 1cdn h LEU 69 N 0.30 -0.08 -0.76 2.57 5.85 -0.65 -3.24 115.31 119.30 1cdn h LEU 69 Ca 0.36 -0.53 0.16 0.00 0.84 0.00 0.00 57.88 58.71 1cdn h LEU 69 Cb 0.97 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.91 1cdn h LEU 69 CO -0.09 0.59 0.26 0.58 -0.34 0.00 0.00 178.44 179.44 1cdn h VAL 70 N -0.87 0.57 -0.59 1.05 2.07 -1.08 0.27 116.25 117.68 1cdn h VAL 70 Ca -0.01 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1cdn h VAL 70 Cb 0.61 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1cdn h VAL 70 CO 0.02 0.07 0.18 0.07 0.02 0.00 0.00 177.57 177.92 1cdn h LYS 71 N 0.36 0.88 -0.28 1.57 2.10 -1.12 0.74 116.57 120.82 1cdn h LYS 71 Ca 0.43 -0.17 -0.07 0.00 -2.00 0.00 0.00 60.65 58.84 1cdn h LYS 71 Cb 0.72 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 1cdn h LYS 71 CO -0.47 0.76 -0.11 -0.22 -2.00 0.00 0.00 179.45 177.42 1cdn h LYS 72 N 0.86 0.57 -0.60 0.07 3.11 -0.80 -1.40 116.57 118.39 1cdn h LYS 72 Ca 0.19 -0.24 0.09 0.00 -2.81 0.00 0.00 60.65 57.88 1cdn h LYS 72 Cb 0.25 -0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.39 1cdn h LYS 72 CO -0.01 0.80 0.23 0.82 -2.81 0.00 0.00 179.45 178.48 1cdn h ILE 73 N 0.32 0.79 0.00 2.00 2.04 -0.21 0.10 117.51 122.55 1cdn h ILE 73 Ca 0.07 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1cdn h ILE 73 Cb 0.61 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1cdn h ILE 73 CO 0.04 0.08 0.00 -1.20 0.00 0.00 0.00 178.15 177.06 1cdn n SER 74 N -4.98 0.00 0.00 1.72 7.64 0.22 -5.04 113.62 113.18 1cdn n SER 74 Ca 0.08 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.11 1cdn n SER 74 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1cdn n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03