#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 5.70 0.32 4.39 1.04 -1.26 -4.82 113.70 119.07 1cdn s SER 2 Ca 0.00 1.95 0.10 0.00 0.48 0.00 0.00 55.95 58.47 1cdn s SER 2 Cb 0.00 -2.55 0.95 0.00 0.10 0.00 0.00 66.02 64.52 1cdn s SER 2 CO 0.00 -1.22 1.64 -0.65 0.98 0.00 0.00 173.24 173.99 1cdn h PRO 3 N 0.67 0.22 -0.04 4.02 0.11 -2.03 0.96 132.00 135.91 1cdn h PRO 3 Ca -0.48 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1cdn h PRO 3 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1cdn h PRO 3 CO 0.57 0.15 -0.03 0.93 -0.21 0.00 0.00 178.00 179.40 1cdn h GLU 4 N 0.23 -0.04 -0.44 1.05 3.07 -1.99 0.20 114.58 116.66 1cdn h GLU 4 Ca 0.67 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 1cdn h GLU 4 Cb 1.49 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.39 1cdn h GLU 4 CO -0.67 -0.03 0.28 0.93 -1.40 0.00 0.00 179.01 178.13 1cdn h GLU 5 N -0.04 0.58 -0.82 2.33 5.08 -1.41 0.24 114.58 120.55 1cdn h GLU 5 Ca 0.03 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1cdn h GLU 5 Cb 0.08 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1cdn h GLU 5 CO -0.07 0.40 0.54 -0.07 -1.00 0.00 0.00 179.01 178.82 1cdn h LEU 6 N 0.59 0.91 -0.40 1.33 3.38 -0.59 0.14 115.31 120.67 1cdn h LEU 6 Ca 0.16 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1cdn h LEU 6 Cb -0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1cdn h LEU 6 CO -0.03 0.65 0.10 0.50 0.09 0.00 0.00 178.44 179.74 1cdn h LYS 7 N 1.07 0.64 -0.15 1.13 3.64 0.00 0.21 116.57 123.11 1cdn h LYS 7 Ca 0.31 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1cdn h LYS 7 Cb -0.05 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 1cdn h LYS 7 CO -0.08 0.66 -0.14 0.78 -2.27 0.00 0.00 179.45 178.39 1cdn h GLY 8 N 0.50 -0.05 0.39 5.01 0.00 0.25 0.92 103.07 110.09 1cdn h GLY 8 Ca 0.12 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.65 1cdn h GLY 8 CO 0.00 -0.15 -0.38 -2.22 0.00 0.00 0.00 176.54 173.79 1cdn h ILE 9 N -0.17 0.22 -0.60 2.60 2.04 -0.72 0.91 117.51 121.79 1cdn h ILE 9 Ca 0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.07 1cdn h ILE 9 Cb 0.31 0.22 -0.12 0.00 -0.74 0.00 0.00 36.82 36.50 1cdn h ILE 9 CO -0.25 0.00 -0.31 0.15 0.00 0.00 0.00 178.15 177.74 1cdn h PHE 10 N -0.64 -0.83 0.17 1.37 3.04 0.02 0.21 116.94 120.28 1cdn h PHE 10 Ca 0.02 0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1cdn h PHE 10 Cb 0.65 0.45 0.00 0.00 2.56 0.00 0.00 35.95 39.62 1cdn h PHE 10 CO -0.31 -0.37 -0.08 0.93 -2.02 0.00 0.00 178.31 176.46 1cdn h GLU 11 N -0.14 -0.22 -0.60 1.11 5.08 -0.56 0.18 114.58 119.43 1cdn h GLU 11 Ca 0.25 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 1cdn h GLU 11 Cb 0.54 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.73 1cdn h GLU 11 CO -0.68 -0.03 -0.32 -0.22 -1.00 0.00 0.00 179.01 176.76 1cdn h LYS 12 N -0.37 -0.14 0.05 2.33 3.64 -0.03 0.74 116.57 122.79 1cdn h LYS 12 Ca -0.02 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1cdn h LYS 12 Cb 0.29 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1cdn h LYS 12 CO 0.04 -0.09 -0.68 1.88 -2.27 0.00 0.00 179.45 178.33 1cdn h TYR 13 N -0.15 0.59 -0.62 1.91 0.05 -0.89 -3.23 116.97 114.63 1cdn h TYR 13 Ca 0.24 -0.35 0.10 0.00 0.05 0.00 0.00 58.73 58.77 1cdn h TYR 13 Cb 0.55 -0.05 -0.08 0.00 1.01 0.00 0.00 36.73 38.16 1cdn h TYR 13 CO -0.63 1.20 0.20 0.00 -1.05 0.00 0.00 178.16 177.89 1cdn h ALA 14 N 0.24 0.79 0.00 3.88 0.00 -0.34 0.49 119.26 124.32 1cdn h ALA 14 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cdn h ALA 14 Cb 1.43 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1cdn h ALA 14 CO 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1cdn h ALA 15 N 1.45 1.00 -0.72 0.00 0.00 -0.94 -2.73 119.26 117.31 1cdn h ALA 15 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.86 1cdn h ALA 15 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1cdn h ALA 15 CO -0.34 0.00 0.99 0.21 0.00 0.00 0.00 179.25 180.11 1cdn s LYS 16 N -3.94 2.76 0.00 0.00 2.20 0.16 -4.08 119.74 116.84 1cdn s LYS 16 Ca -0.02 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 1cdn s LYS 16 Cb 0.11 -5.17 0.00 0.00 -1.51 0.00 0.00 37.83 31.26 1cdn s LYS 16 CO 0.45 -3.29 0.00 -1.91 -0.36 0.00 0.00 175.35 170.25 1cdn n GLU 17 N 8.71 0.00 -0.89 4.03 0.00 -1.26 -4.78 120.64 126.45 1cdn n GLU 17 Ca 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 57.27 1cdn n GLU 17 Cb 0.47 -0.01 0.25 0.00 0.00 0.00 0.00 31.44 32.15 1cdn n GLU 17 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1cdn s GLY 18 N 0.00 1.54 0.14 8.31 0.00 -1.03 -5.01 107.32 111.27 1cdn s GLY 18 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 44.72 43.61 1cdn s GLY 18 CO 0.00 0.07 0.99 -0.35 0.00 0.00 0.00 173.10 173.80 1cdn s ASP 19 N -3.59 7.47 0.58 1.64 -1.08 -1.20 -4.16 116.67 116.32 1cdn s ASP 19 Ca 0.70 1.88 0.29 0.00 -0.52 0.00 0.00 52.55 54.89 1cdn s ASP 19 Cb -0.12 -2.59 1.48 0.00 -1.46 0.00 0.00 42.92 40.22 1cdn s ASP 19 CO 0.57 -0.07 1.91 1.55 0.52 0.00 0.00 175.17 179.66 1cdn h PRO 20 N 5.29 0.00 -0.00 4.34 0.13 -1.88 0.27 132.00 140.15 1cdn h PRO 20 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1cdn h PRO 20 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1cdn h PRO 20 CO 0.71 0.00 -0.19 0.09 -0.23 0.00 0.00 178.00 178.38 1cdn n ASN 21 N -3.86 0.37 -3.55 1.44 3.02 -1.26 -4.49 115.26 106.92 1cdn n ASN 21 Ca 0.10 -0.21 -0.03 0.00 -0.03 0.00 0.00 54.58 54.41 1cdn n ASN 21 Cb 0.69 -0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.71 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 -2.76 0.48 0.15 3.52 0.74 0.08 -4.04 119.66 117.84 1cdn s GLN 22 Ca 0.20 1.18 -0.30 0.00 0.05 0.00 0.00 55.36 56.49 1cdn s GLN 22 Cb 0.19 0.55 -0.07 0.00 1.10 0.00 0.00 33.01 34.78 1cdn s GLN 22 CO 0.55 -0.32 0.97 -0.51 -0.55 0.00 0.00 175.29 175.43 1cdn s LEU 23 N 2.78 4.54 0.00 3.68 1.43 0.45 -3.60 118.68 127.96 1cdn s LEU 23 Ca 0.01 1.86 0.06 0.00 -1.03 0.00 0.00 54.13 55.04 1cdn s LEU 23 Cb -0.13 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.61 1cdn s LEU 23 CO -0.17 -0.01 0.86 -1.54 0.23 0.00 0.00 176.35 175.72 1cdn n SER 24 N 2.37 1.84 -0.15 2.29 3.41 -1.26 -0.82 113.62 121.30 1cdn n SER 24 Ca 0.01 -2.39 -0.04 0.00 -0.26 0.00 0.00 58.87 56.19 1cdn n SER 24 Cb 0.48 -0.50 0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1cdn n SER 24 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1cdn h LYS 25 N 0.00 0.29 -0.28 4.33 1.57 -1.98 -1.32 116.57 119.18 1cdn h LYS 25 Ca -0.29 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1cdn h LYS 25 Cb 1.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1cdn h LYS 25 CO 0.37 0.19 0.08 1.49 -0.57 0.00 0.00 179.45 181.02 1cdn h GLU 26 N 0.30 0.43 -0.27 3.15 4.81 -1.98 0.27 114.58 121.29 1cdn h GLU 26 Ca 0.22 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1cdn h GLU 26 Cb 0.25 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1cdn h GLU 26 CO -0.25 0.50 -0.06 0.93 -0.73 0.00 0.00 179.01 179.40 1cdn h GLU 27 N 0.29 0.01 -0.71 1.92 3.07 -1.80 0.56 114.58 117.92 1cdn h GLU 27 Ca 0.09 -0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.02 1cdn h GLU 27 Cb 0.25 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.09 1cdn h GLU 27 CO -0.00 0.00 0.38 -0.07 -1.40 0.00 0.00 179.01 177.93 1cdn h LEU 28 N 0.01 0.55 -0.12 1.33 3.38 -0.77 0.92 115.31 120.59 1cdn h LEU 28 Ca 0.13 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1cdn h LEU 28 Cb 0.20 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1cdn h LEU 28 CO -0.27 0.34 0.06 0.50 0.09 0.00 0.00 178.44 179.15 1cdn h LYS 29 N 0.68 0.18 -0.21 1.13 3.64 0.72 0.25 116.57 122.96 1cdn h LYS 29 Ca 0.33 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1cdn h LYS 29 Cb 0.27 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1cdn h LYS 29 CO -0.22 0.24 0.10 -0.07 -2.27 0.00 0.00 179.45 177.24 1cdn h LEU 30 N 0.07 0.28 -0.13 5.20 3.38 -0.75 0.15 115.31 123.51 1cdn h LEU 30 Ca 0.04 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1cdn h LEU 30 Cb 0.12 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1cdn h LEU 30 CO -0.01 0.33 -0.47 0.25 0.09 0.00 0.00 178.44 178.63 1cdn h LEU 31 N 0.21 -1.48 0.51 1.67 6.46 -0.62 -0.04 115.31 122.03 1cdn h LEU 31 Ca 0.07 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1cdn h LEU 31 Cb 0.12 0.59 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 1cdn h LEU 31 CO -0.01 -0.45 -0.41 -0.07 -0.62 0.00 0.00 178.44 176.87 1cdn h LEU 32 N -0.53 -1.09 -0.41 2.25 3.38 -0.29 0.10 115.31 118.71 1cdn h LEU 32 Ca 0.06 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1cdn h LEU 32 Cb 0.66 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 1cdn h LEU 32 CO -0.41 -0.59 -0.08 -0.61 0.09 0.00 0.00 178.44 176.84 1cdn h GLN 33 N -0.91 0.02 -0.00 1.13 5.75 -0.54 0.31 115.11 120.88 1cdn h GLN 33 Ca -0.06 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1cdn h GLN 33 Cb 0.78 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.32 1cdn h GLN 33 CO -0.01 0.02 -0.06 1.15 -2.65 0.00 0.00 178.83 177.28 1cdn h THR 34 N 0.03 1.61 0.00 2.39 2.02 -0.85 -3.18 112.91 114.92 1cdn h THR 34 Ca 0.20 -1.87 -0.27 0.00 0.77 0.00 0.00 66.41 65.24 1cdn h THR 34 Cb 0.30 2.86 -0.05 0.00 -1.74 0.00 0.00 68.15 69.52 1cdn h THR 34 CO -0.40 0.49 -1.62 -0.33 0.37 0.00 0.00 175.52 174.03 1cdn h GLU 35 N -0.71 0.00 -1.39 6.66 4.39 -0.73 -3.42 114.58 119.38 1cdn h GLU 35 Ca -0.01 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.26 1cdn h GLU 35 Cb 0.84 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 29.17 1cdn h GLU 35 CO 0.01 0.48 -0.95 1.19 -1.16 0.00 0.00 179.01 178.58 1cdn n PHE 36 N -3.03 -1.01 0.23 4.33 3.72 0.11 -4.96 117.46 116.84 1cdn n PHE 36 Ca -0.15 -3.16 0.12 0.00 -0.05 0.00 0.00 57.45 54.22 1cdn n PHE 36 Cb 1.01 0.22 0.73 0.00 -0.94 0.00 0.00 39.48 40.50 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 3.50 0.00 0.18 -1.08 0.13 -1.44 -0.19 132.00 133.10 1cdn h PRO 37 Ca 0.02 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1cdn h PRO 37 Cb 0.97 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 1cdn h PRO 37 CO 0.40 0.00 -0.39 0.66 -0.23 0.00 0.00 178.00 178.44 1cdn h SER 38 N 0.00 -1.14 -0.47 1.44 4.64 -1.90 -0.73 113.55 115.39 1cdn h SER 38 Ca 0.05 0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1cdn h SER 38 Cb 0.20 0.42 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1cdn h SER 38 CO -0.00 -0.48 0.17 -0.07 -0.87 0.00 0.00 176.83 175.57 1cdn h LEU 39 N -0.66 0.67 -0.39 5.97 3.38 -1.45 0.29 115.31 123.12 1cdn h LEU 39 Ca 0.01 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.87 1cdn h LEU 39 Cb 0.67 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1cdn h LEU 39 CO -0.20 0.68 -0.10 0.25 0.09 0.00 0.00 178.44 179.16 1cdn h LEU 40 N 0.62 -0.36 0.19 1.67 7.12 -0.82 -2.88 115.31 120.84 1cdn h LEU 40 Ca 0.15 0.12 -0.01 0.00 0.13 0.00 0.00 57.88 58.27 1cdn h LEU 40 Cb 0.23 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1cdn h LEU 40 CO -0.01 -0.13 -0.09 0.11 -0.13 0.00 0.00 178.44 178.19 1cdn h LYS 41 N -0.00 -0.24 -3.78 1.25 1.57 -1.05 -3.38 116.57 110.93 1cdn h LYS 41 Ca 0.19 0.02 -0.70 0.00 -1.87 0.00 0.00 60.65 58.28 1cdn h LYS 41 Cb 0.28 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1cdn h LYS 41 CO -0.40 -0.16 3.23 0.41 -0.57 0.00 0.00 179.45 181.96 1cdn n GLY 42 N 0.93 4.41 3.83 3.86 0.00 0.10 -4.83 105.19 113.49 1cdn n GLY 42 Ca -0.03 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 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 2.89 0.17 0.99 -0.02 0.00 -1.09 -4.56 107.32 105.69 1cdn s GLY 43 Ca 0.51 -0.47 -0.12 0.00 0.00 0.00 0.00 44.72 44.64 1cdn s GLY 43 CO -0.08 0.63 0.82 1.44 0.00 0.00 0.00 173.10 175.91 1cdn n SER 44 N -1.14 -0.92 -4.71 1.64 7.64 -1.26 -4.97 113.62 109.90 1cdn n SER 44 Ca -0.06 0.25 -0.33 0.00 1.01 0.00 0.00 58.87 59.74 1cdn n SER 44 Cb 0.60 -1.32 0.11 0.00 -1.01 0.00 0.00 64.21 62.59 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 -2.50 2.25 0.22 0.44 -4.23 -1.26 -4.54 115.64 106.03 1cdn s THR 45 Ca 0.63 0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 61.17 1cdn s THR 45 Cb -0.22 -2.56 0.20 0.00 1.34 0.00 0.00 72.50 71.26 1cdn s THR 45 CO 0.63 -0.08 1.69 0.25 -0.54 0.00 0.00 174.62 176.56 1cdn h LEU 46 N -0.72 -0.08 -0.38 4.79 5.85 -1.93 0.14 115.31 122.98 1cdn h LEU 46 Ca -0.46 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1cdn h LEU 46 Cb 1.29 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 1cdn h LEU 46 CO 0.48 -0.04 0.24 0.44 -0.34 0.00 0.00 178.44 179.21 1cdn h ASP 47 N 0.22 0.45 0.19 1.25 5.19 -1.98 0.24 116.42 121.98 1cdn h ASP 47 Ca 0.35 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 1cdn h ASP 47 Cb 0.56 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 1cdn h ASP 47 CO -0.47 0.35 -0.11 -0.33 -3.12 0.00 0.00 179.24 175.56 1cdn h GLU 48 N 0.50 -0.27 -0.41 3.56 5.08 -1.41 0.17 114.58 121.78 1cdn h GLU 48 Ca 0.14 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1cdn h GLU 48 Cb -0.02 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1cdn h GLU 48 CO -0.03 -0.18 0.23 1.25 -1.00 0.00 0.00 179.01 179.28 1cdn h LEU 49 N -0.28 0.35 -0.26 1.33 5.85 -0.57 0.54 115.31 122.26 1cdn h LEU 49 Ca -0.02 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1cdn h LEU 49 Cb 0.23 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1cdn h LEU 49 CO 0.03 0.25 -0.07 0.15 -0.34 0.00 0.00 178.44 178.46 1cdn h PHE 50 N 0.46 -0.16 -0.15 1.25 3.57 -0.34 0.11 116.94 121.68 1cdn h PHE 50 Ca 0.17 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.72 1cdn h PHE 50 Cb 0.04 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1cdn h PHE 50 CO -0.09 -0.12 -0.02 1.49 -2.23 0.00 0.00 178.31 177.34 1cdn h GLU 51 N -0.01 0.02 -0.66 1.11 4.81 -0.24 0.17 114.58 119.78 1cdn h GLU 51 Ca 0.13 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 1cdn h GLU 51 Cb 0.20 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 1cdn h GLU 51 CO -0.28 0.01 0.32 0.93 -0.73 0.00 0.00 179.01 179.27 1cdn h GLU 52 N 0.02 0.55 -0.21 1.92 5.08 -0.27 -2.75 114.58 118.91 1cdn h GLU 52 Ca 0.07 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1cdn h GLU 52 Cb 0.10 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1cdn h GLU 52 CO -0.14 0.36 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.76 1cdn h LEU 53 N 0.56 0.73 -6.78 1.33 3.38 -0.42 -3.36 115.31 110.75 1cdn h LEU 53 Ca 0.32 -0.54 -0.59 0.00 0.09 0.00 0.00 57.88 57.15 1cdn h LEU 53 Cb 0.31 -0.21 0.03 0.00 0.09 0.00 0.00 40.66 40.88 1cdn h LEU 53 CO -0.25 1.13 2.07 -0.67 0.09 0.00 0.00 178.44 180.81 1cdn n ASP 54 N -4.22 2.67 0.07 -0.43 2.03 0.57 -4.44 116.55 112.79 1cdn n ASP 54 Ca -0.06 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.57 1cdn n ASP 54 Cb 0.54 -1.25 0.31 0.00 -0.72 0.00 0.00 41.12 40.01 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 8.22 0.35 -0.67 -0.67 1.79 -1.74 -3.19 116.57 120.65 1cdn h LYS 55 Ca 0.39 -0.10 -0.07 0.00 -2.18 0.00 0.00 60.65 58.69 1cdn h LYS 55 Cb 0.72 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.31 1cdn h LYS 55 CO 1.82 0.51 0.14 -2.95 -1.08 0.00 0.00 179.45 177.88 1cdn h ASN 56 N 0.32 1.03 0.00 0.86 7.08 -1.88 -3.47 115.58 119.51 1cdn h ASN 56 Ca 0.06 -0.23 0.00 0.00 -3.08 0.00 0.00 56.30 53.05 1cdn h ASN 56 Cb 0.48 -0.27 0.00 0.00 -2.08 0.00 0.00 38.32 36.44 1cdn h ASN 56 CO 0.03 1.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.99 1cdn n GLY 57 N -0.66 1.02 0.07 9.14 0.00 -1.21 -4.99 105.19 108.56 1cdn n GLY 57 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.12 -1.38 1.61 5.75 -1.26 -4.83 116.55 116.56 1cdn n ASP 58 Ca 0.00 -1.82 -0.11 0.00 -0.01 0.00 0.00 54.79 52.86 1cdn n ASP 58 Cb 0.00 -0.06 0.01 0.00 -1.03 0.00 0.00 41.12 40.03 1cdn n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cdn n GLY 59 N 0.36 0.02 3.79 6.12 0.00 -1.26 -5.01 105.19 109.20 1cdn n GLY 59 Ca 0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.81 1.79 -0.21 1.61 2.02 -1.26 -4.89 118.70 112.96 1cdn s GLU 60 Ca 0.08 -1.12 -0.00 0.00 0.02 0.00 0.00 54.97 53.95 1cdn s GLU 60 Cb -0.03 0.58 0.05 0.00 0.10 0.00 0.00 34.13 34.83 1cdn s GLU 60 CO 0.09 -0.81 -0.04 0.08 0.02 0.00 0.00 175.26 174.60 1cdn s VAL 61 N -3.73 1.28 0.89 2.63 1.01 -0.00 -4.59 120.40 117.88 1cdn s VAL 61 Ca 0.15 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1cdn s VAL 61 Cb -0.05 -1.54 0.17 0.00 0.00 0.00 0.00 36.38 34.96 1cdn s VAL 61 CO 0.08 -0.03 1.22 -0.55 0.00 0.00 0.00 175.10 175.82 1cdn s SER 62 N 1.53 3.54 0.07 3.32 0.15 -1.26 -0.41 113.70 120.64 1cdn s SER 62 Ca -0.03 0.13 -0.21 0.00 0.70 0.00 0.00 55.95 56.54 1cdn s SER 62 Cb -0.17 -0.29 -0.11 0.00 -1.71 0.00 0.00 66.02 63.74 1cdn s SER 62 CO -0.07 -2.44 1.55 0.15 1.20 0.00 0.00 173.24 173.63 1cdn h PHE 63 N -1.30 0.29 0.63 3.44 3.57 -1.96 0.42 116.94 122.02 1cdn h PHE 63 Ca -0.42 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.01 1cdn h PHE 63 Cb 1.25 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.91 1cdn h PHE 63 CO -0.80 0.43 -0.31 0.93 -2.23 0.00 0.00 178.31 176.33 1cdn h GLU 64 N 0.07 -0.82 -0.42 1.11 3.07 -1.95 -2.52 114.58 113.12 1cdn h GLU 64 Ca 0.05 0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.93 1cdn h GLU 64 Cb 0.29 0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 1cdn h GLU 64 CO 0.00 -0.55 0.12 1.05 -1.40 0.00 0.00 179.01 178.23 1cdn h GLU 65 N -0.85 0.62 -1.00 2.33 4.11 -1.86 -0.42 114.58 117.51 1cdn h GLU 65 Ca -0.08 -0.10 0.28 0.00 0.07 0.00 0.00 59.36 59.52 1cdn h GLU 65 Cb 0.65 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 1cdn h GLU 65 CO 0.14 0.56 0.70 0.35 0.07 0.00 0.00 179.01 180.82 1cdn h PHE 66 N 0.61 0.18 -0.02 2.06 3.57 -0.57 0.77 116.94 123.54 1cdn h PHE 66 Ca 0.14 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1cdn h PHE 66 Cb 0.21 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1cdn h PHE 66 CO 0.01 0.03 0.22 1.96 -2.23 0.00 0.00 178.31 178.30 1cdn h GLN 67 N 0.12 0.00 -0.56 1.11 1.08 -0.65 0.17 115.11 116.38 1cdn h GLN 67 Ca 0.50 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.86 1cdn h GLN 67 Cb 1.75 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.16 1cdn h GLN 67 CO -0.08 0.00 0.44 0.28 -0.95 0.00 0.00 178.83 178.52 1cdn h VAL 68 N 0.00 0.60 -0.30 -0.54 2.07 -1.00 0.22 116.25 117.30 1cdn h VAL 68 Ca 0.01 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.36 1cdn h VAL 68 Cb 0.45 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1cdn h VAL 68 CO -0.00 0.00 -0.49 0.25 0.02 0.00 0.00 177.57 177.35 1cdn h LEU 69 N 0.00 0.91 -0.88 2.57 5.85 -0.85 -0.35 115.31 122.57 1cdn h LEU 69 Ca 0.27 -0.46 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 1cdn h LEU 69 Cb 1.15 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1cdn h LEU 69 CO -0.00 1.24 -0.15 0.58 -0.34 0.00 0.00 178.44 179.77 1cdn h VAL 70 N 0.66 1.25 0.08 1.05 2.07 -0.79 0.39 116.25 120.96 1cdn h VAL 70 Ca 0.03 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1cdn h VAL 70 Cb 1.08 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1cdn h VAL 70 CO 0.11 0.39 -0.20 0.50 0.02 0.00 0.00 177.57 178.39 1cdn h LYS 71 N 0.61 -0.36 -0.74 1.57 3.64 -0.61 0.14 116.57 120.81 1cdn h LYS 71 Ca 0.10 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.66 1cdn h LYS 71 Cb 0.60 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.39 1cdn h LYS 71 CO 0.04 -0.24 0.19 0.87 -2.27 0.00 0.00 179.45 178.04 1cdn h LYS 72 N -0.37 0.28 0.61 1.90 6.56 -0.37 -1.92 116.57 123.25 1cdn h LYS 72 Ca 0.03 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.58 1cdn h LYS 72 Cb 0.40 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.00 1cdn h LYS 72 CO -0.13 0.18 -0.35 0.82 -2.06 0.00 0.00 179.45 177.91 1cdn h ILE 73 N 0.29 0.28 0.00 1.86 2.04 -0.49 -3.48 117.51 118.00 1cdn h ILE 73 Ca 0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.28 1cdn h ILE 73 Cb 0.70 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1cdn h ILE 73 CO -0.50 0.00 0.00 -0.24 0.00 0.00 0.00 178.15 177.41 1cdn n SER 74 N -5.49 0.00 0.00 1.72 2.88 0.41 -5.10 113.62 108.04 1cdn n SER 74 Ca -0.13 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1cdn n SER 74 Cb 0.38 0.04 0.38 0.00 -0.75 0.00 0.00 64.21 64.26 1cdn n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81