#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 5.05 0.40 4.39 1.04 -1.26 -4.81 113.70 118.51 1cdn s SER 2 Ca 0.00 2.05 0.20 0.00 0.48 0.00 0.00 55.95 58.68 1cdn s SER 2 Cb 0.00 -2.56 1.15 0.00 0.10 0.00 0.00 66.02 64.72 1cdn s SER 2 CO 0.00 -1.67 1.73 -0.65 0.98 0.00 0.00 173.24 173.63 1cdn h PRO 3 N 0.06 0.33 -0.09 4.02 0.11 -2.05 0.66 132.00 135.05 1cdn h PRO 3 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1cdn h PRO 3 Cb 1.25 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1cdn h PRO 3 CO 0.54 0.22 0.04 0.93 -0.21 0.00 0.00 178.00 179.52 1cdn h GLU 4 N 0.34 0.13 -0.36 1.05 5.08 -1.99 0.23 114.58 119.06 1cdn h GLU 4 Ca 0.65 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.99 1cdn h GLU 4 Cb 1.71 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.92 1cdn h GLU 4 CO -0.35 0.22 0.23 0.93 -1.00 0.00 0.00 179.01 179.05 1cdn h GLU 5 N 0.01 0.47 -0.93 2.33 5.08 -1.45 0.14 114.58 120.23 1cdn h GLU 5 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cdn h GLU 5 Cb 0.14 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1cdn h GLU 5 CO -0.00 0.32 0.60 -0.07 -1.00 0.00 0.00 179.01 178.85 1cdn h LEU 6 N 0.48 1.08 -0.14 1.33 3.38 -0.77 0.14 115.31 120.80 1cdn h LEU 6 Ca 0.13 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1cdn h LEU 6 Cb -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1cdn h LEU 6 CO -0.03 0.80 0.04 0.50 0.09 0.00 0.00 178.44 179.84 1cdn h LYS 7 N 1.26 0.11 -0.38 1.13 1.63 -0.15 0.19 116.57 120.36 1cdn h LYS 7 Ca 0.34 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 60.21 1cdn h LYS 7 Cb -0.12 -0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.41 1cdn h LYS 7 CO -0.07 0.07 -0.13 0.78 -3.45 0.00 0.00 179.45 176.65 1cdn h GLY 8 N 0.11 0.20 0.77 5.01 0.00 0.37 0.13 103.07 109.67 1cdn h GLY 8 Ca 0.06 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1cdn h GLY 8 CO -0.06 -0.17 -0.26 -2.22 0.00 0.00 0.00 176.54 173.83 1cdn h ILE 9 N -0.05 0.44 -0.55 2.60 1.08 -0.65 0.12 117.51 120.51 1cdn h ILE 9 Ca 0.19 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.76 1cdn h ILE 9 Cb 0.34 0.44 -0.11 0.00 -3.07 0.00 0.00 36.82 34.42 1cdn h ILE 9 CO -0.42 0.00 -0.18 0.15 -0.69 0.00 0.00 178.15 177.01 1cdn h PHE 10 N -0.60 -0.42 -0.24 1.37 3.04 0.13 -1.26 116.94 118.96 1cdn h PHE 10 Ca -0.02 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1cdn h PHE 10 Cb 0.53 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 1cdn h PHE 10 CO -0.14 -0.28 0.06 0.93 -2.02 0.00 0.00 178.31 176.87 1cdn h GLU 11 N -0.05 0.38 -0.78 1.11 5.08 -0.53 0.71 114.58 120.51 1cdn h GLU 11 Ca 0.26 -0.09 0.13 0.00 -1.00 0.00 0.00 59.36 58.66 1cdn h GLU 11 Cb 0.45 -0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.51 1cdn h GLU 11 CO -0.59 0.48 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.35 1cdn h LYS 12 N 0.22 -0.07 0.04 2.33 3.64 0.34 0.17 116.57 123.24 1cdn h LYS 12 Ca 0.08 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1cdn h LYS 12 Cb 0.26 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1cdn h LYS 12 CO -0.00 -0.05 -0.30 1.88 -2.27 0.00 0.00 179.45 178.72 1cdn h TYR 13 N -0.08 0.22 -0.55 1.91 0.05 -1.16 -3.30 116.97 114.07 1cdn h TYR 13 Ca 0.30 -0.15 0.05 0.00 0.05 0.00 0.00 58.73 58.99 1cdn h TYR 13 Cb 0.58 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.26 1cdn h TYR 13 CO -0.72 1.07 0.27 0.00 -1.05 0.00 0.00 178.16 177.73 1cdn h ALA 14 N 0.09 0.70 -0.68 3.88 0.00 -0.59 -0.22 119.26 122.44 1cdn h ALA 14 Ca -0.05 0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.08 1cdn h ALA 14 Cb 1.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1cdn h ALA 14 CO 0.06 -0.08 0.49 0.00 0.00 0.00 0.00 179.25 179.71 1cdn h ALA 15 N 1.30 2.59 -0.31 0.00 0.00 -0.80 0.83 119.26 122.86 1cdn h ALA 15 Ca 0.25 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1cdn h ALA 15 Cb 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1cdn h ALA 15 CO -0.18 -0.79 0.03 -0.22 0.00 0.00 0.00 179.25 178.10 1cdn h LYS 16 N 0.04 0.47 -0.01 0.00 3.64 -1.10 -2.14 116.57 117.46 1cdn h LYS 16 Ca 0.33 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1cdn h LYS 16 Cb 1.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1cdn h LYS 16 CO -0.02 0.47 -0.07 1.49 -2.27 0.00 0.00 179.45 179.06 1cdn h GLU 17 N 0.45 0.06 0.00 1.90 4.57 -0.94 -3.49 114.58 117.14 1cdn h GLU 17 Ca 0.10 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1cdn h GLU 17 Cb 0.25 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1cdn h GLU 17 CO 0.00 0.74 0.00 0.41 -1.18 0.00 0.00 179.01 178.99 1cdn n GLY 18 N 0.79 0.80 3.62 1.92 0.00 -0.48 -5.10 105.19 106.75 1cdn n GLY 18 Ca -0.09 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 6.19 0.65 1.61 2.15 -1.25 -4.41 116.67 121.61 1cdn s ASP 19 Ca 0.00 1.67 0.43 0.00 0.43 0.00 0.00 52.55 55.09 1cdn s ASP 19 Cb 0.00 -2.53 2.29 0.00 -0.30 0.00 0.00 42.92 42.38 1cdn s ASP 19 CO 0.00 -1.41 2.32 1.55 -0.17 0.00 0.00 175.17 177.46 1cdn h PRO 20 N 11.61 0.00 -0.01 4.34 0.13 -1.89 -2.96 132.00 143.23 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1cdn h PRO 20 CO 1.00 0.00 -0.30 0.09 -0.23 0.00 0.00 178.00 178.56 1cdn n ASN 21 N -3.08 0.87 -3.70 1.44 3.02 -1.26 -4.25 115.26 108.30 1cdn n ASN 21 Ca -0.02 -0.72 -0.12 0.00 -0.03 0.00 0.00 54.58 53.69 1cdn n ASN 21 Cb 0.10 0.14 -0.12 0.00 -0.61 0.00 0.00 39.78 39.30 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 -2.61 0.24 -0.14 3.52 0.74 -1.12 -2.90 119.66 117.39 1cdn s GLN 22 Ca 0.22 0.69 -0.06 0.00 0.05 0.00 0.00 55.36 56.25 1cdn s GLN 22 Cb 0.19 -0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.22 1cdn s GLN 22 CO 0.56 -0.20 0.07 -0.51 -0.55 0.00 0.00 175.29 174.65 1cdn s LEU 23 N 1.73 3.94 0.79 3.68 1.43 0.19 -4.70 118.68 125.74 1cdn s LEU 23 Ca -0.06 0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.22 1cdn s LEU 23 Cb -0.11 -1.96 0.15 0.00 0.03 0.00 0.00 46.19 44.30 1cdn s LEU 23 CO -0.10 0.31 1.09 -0.94 0.23 0.00 0.00 176.35 176.94 1cdn s SER 24 N -0.42 3.98 0.23 2.29 1.04 -1.26 -0.66 113.70 118.90 1cdn s SER 24 Ca 0.10 -0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.27 1cdn s SER 24 Cb -0.12 -0.07 0.38 0.00 0.10 0.00 0.00 66.02 66.31 1cdn s SER 24 CO 0.02 -2.12 1.78 0.11 0.98 0.00 0.00 173.24 174.00 1cdn h LYS 25 N -0.85 0.60 -0.23 4.02 1.57 -1.99 -0.79 116.57 118.90 1cdn h LYS 25 Ca -0.38 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 1cdn h LYS 25 Cb 1.26 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1cdn h LYS 25 CO 0.39 0.40 0.01 1.49 -0.57 0.00 0.00 179.45 181.17 1cdn h GLU 26 N 0.62 0.40 -0.52 3.15 4.81 -1.99 0.21 114.58 121.26 1cdn h GLU 26 Ca 0.38 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1cdn h GLU 26 Cb 0.42 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1cdn h GLU 26 CO -0.29 0.56 0.30 0.93 -0.73 0.00 0.00 179.01 179.79 1cdn h GLU 27 N 0.18 0.57 -0.83 1.92 3.07 -1.82 0.30 114.58 117.98 1cdn h GLU 27 Ca 0.07 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1cdn h GLU 27 Cb 0.38 -0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.10 1cdn h GLU 27 CO 0.01 0.38 0.51 -0.07 -1.40 0.00 0.00 179.01 178.44 1cdn h LEU 28 N 0.59 0.81 0.09 1.33 3.38 -0.79 0.12 115.31 120.84 1cdn h LEU 28 Ca 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1cdn h LEU 28 Cb 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1cdn h LEU 28 CO -0.11 0.53 -0.04 0.50 0.09 0.00 0.00 178.44 179.41 1cdn h LYS 29 N 0.95 -0.12 -0.41 1.13 3.64 0.67 0.28 116.57 122.72 1cdn h LYS 29 Ca 0.36 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1cdn h LYS 29 Cb 0.14 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1cdn h LYS 29 CO -0.16 -0.00 0.26 -0.07 -2.27 0.00 0.00 179.45 177.21 1cdn h LEU 30 N -0.21 0.45 0.07 5.20 3.38 -0.77 0.11 115.31 123.54 1cdn h LEU 30 Ca -0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1cdn h LEU 30 Cb 0.17 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1cdn h LEU 30 CO 0.02 0.33 -0.34 0.25 0.09 0.00 0.00 178.44 178.78 1cdn h LEU 31 N 0.54 -1.01 0.02 1.67 6.46 -0.59 -0.32 115.31 122.08 1cdn h LEU 31 Ca 0.15 0.12 0.03 0.00 -0.12 0.00 0.00 57.88 58.06 1cdn h LEU 31 Cb -0.05 0.39 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 1cdn h LEU 31 CO -0.04 -0.42 -0.27 -0.07 -0.62 0.00 0.00 178.44 177.02 1cdn h LEU 32 N -0.54 -0.79 -0.33 2.25 3.38 -0.04 0.85 115.31 120.09 1cdn h LEU 32 Ca 0.04 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1cdn h LEU 32 Cb 0.59 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 41.59 1cdn h LEU 32 CO -0.24 -0.34 -0.19 1.56 0.09 0.00 0.00 178.44 179.33 1cdn h GLN 33 N -0.43 -0.14 0.20 1.13 4.20 -0.59 0.26 115.11 119.74 1cdn h GLN 33 Ca 0.06 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1cdn h GLN 33 Cb 0.50 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1cdn h GLN 33 CO -0.22 -0.09 -0.09 1.15 -0.67 0.00 0.00 178.83 178.90 1cdn h THR 34 N -0.14 0.85 0.04 -0.54 2.02 -0.61 -3.34 112.91 111.18 1cdn h THR 34 Ca 0.17 -0.93 -0.35 0.00 0.77 0.00 0.00 66.41 66.07 1cdn h THR 34 Cb 0.40 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 1cdn h THR 34 CO -0.42 0.19 -2.08 -0.62 0.37 0.00 0.00 175.52 172.96 1cdn n GLU 35 N -4.99 0.69 -2.92 6.66 -0.58 0.25 -4.68 120.64 115.06 1cdn n GLU 35 Ca -0.08 0.20 -0.19 0.00 -0.42 0.00 0.00 57.16 56.66 1cdn n GLU 35 Cb 0.26 -1.66 -0.01 0.00 -0.57 0.00 0.00 31.44 29.46 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 -3.16 1.68 0.27 -0.32 3.72 0.85 -4.90 117.46 115.61 1cdn n PHE 36 Ca -0.30 -3.53 0.11 0.00 -0.05 0.00 0.00 57.45 53.67 1cdn n PHE 36 Cb 1.06 -0.38 0.74 0.00 -0.94 0.00 0.00 39.48 39.95 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 2.94 0.00 -0.42 -1.08 0.13 -1.51 -1.67 132.00 130.40 1cdn h PRO 37 Ca 0.08 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1cdn h PRO 37 Cb 0.91 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 1cdn h PRO 37 CO 0.61 0.02 0.28 0.77 -0.23 0.00 0.00 178.00 179.46 1cdn h SER 38 N 0.00 0.25 0.78 1.44 0.02 -1.90 0.77 113.55 114.91 1cdn h SER 38 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1cdn h SER 38 Cb 0.05 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1cdn h SER 38 CO 0.00 0.17 -0.47 -0.07 -1.14 0.00 0.00 176.83 175.32 1cdn h LEU 39 N 0.29 0.00 -6.06 5.07 3.38 -1.65 -3.36 115.31 112.97 1cdn h LEU 39 Ca 0.18 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.44 1cdn h LEU 39 Cb 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1cdn h LEU 39 CO -0.04 0.47 2.94 0.18 0.09 0.00 0.00 178.44 182.07 1cdn n LEU 40 N -3.62 6.87 0.00 1.67 4.77 0.26 -4.35 117.00 122.61 1cdn n LEU 40 Ca -0.00 -4.25 0.00 0.00 -0.03 0.00 0.00 56.01 51.73 1cdn n LEU 40 Cb 0.56 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1cdn n LEU 40 CO 0.39 1.19 0.00 0.29 -1.33 0.00 0.00 177.39 177.92 1cdn n LYS 41 N 5.59 3.96 -0.82 3.23 4.76 -1.26 -4.96 118.16 128.66 1cdn n LYS 41 Ca 0.50 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.80 1cdn n LYS 41 Cb 0.38 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.47 1cdn n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cdn n GLY 42 N 5.00 2.79 2.38 0.72 0.00 -1.26 -4.76 105.19 110.06 1cdn n GLY 42 Ca 0.00 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 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 2.88 4.08 7.00 -0.02 0.00 -1.26 -4.87 105.19 113.00 1cdn n GLY 43 Ca 0.39 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1cdn n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cdn n SER 44 N 3.83 0.00 -3.97 1.61 3.41 -1.26 -4.48 113.62 112.76 1cdn n SER 44 Ca 0.72 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 59.25 1cdn n SER 44 Cb 0.22 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 1cdn n SER 44 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1cdn s THR 45 N 0.00 0.18 0.25 6.66 -4.23 -1.26 -5.00 115.64 112.23 1cdn s THR 45 Ca 0.00 -1.47 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 1cdn s THR 45 Cb 0.00 -1.41 0.22 0.00 1.34 0.00 0.00 72.50 72.65 1cdn s THR 45 CO 0.00 -0.81 1.74 0.25 -0.54 0.00 0.00 174.62 175.26 1cdn h LEU 46 N 2.97 0.36 0.32 4.79 5.85 -1.99 0.98 115.31 128.58 1cdn h LEU 46 Ca -0.34 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1cdn h LEU 46 Cb 1.17 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1cdn h LEU 46 CO 0.61 0.15 -0.29 0.44 -0.34 0.00 0.00 178.44 179.00 1cdn h ASP 47 N 0.50 -0.79 -0.74 1.25 5.19 -1.96 0.26 116.42 120.14 1cdn h ASP 47 Ca 0.42 0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.92 1cdn h ASP 47 Cb 0.62 0.26 -0.04 0.00 0.18 0.00 0.00 39.33 40.35 1cdn h ASP 47 CO -0.38 -0.43 0.47 -0.33 -3.12 0.00 0.00 179.24 175.45 1cdn h GLU 48 N -0.63 0.91 -0.29 3.56 4.39 -1.81 -0.20 114.58 120.51 1cdn h GLU 48 Ca -0.02 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.64 1cdn h GLU 48 Cb 0.57 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1cdn h GLU 48 CO -0.05 0.60 0.16 1.25 -1.16 0.00 0.00 179.01 179.82 1cdn h LEU 49 N 0.94 0.26 -0.30 1.33 5.85 -0.57 0.11 115.31 122.93 1cdn h LEU 49 Ca 0.29 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.07 1cdn h LEU 49 Cb -0.03 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1cdn h LEU 49 CO -0.09 0.19 -0.02 0.15 -0.34 0.00 0.00 178.44 178.33 1cdn h PHE 50 N 0.34 -0.05 -0.42 1.25 3.57 0.18 0.40 116.94 122.21 1cdn h PHE 50 Ca 0.11 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1cdn h PHE 50 Cb 0.01 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1cdn h PHE 50 CO -0.08 -0.07 0.26 0.93 -2.23 0.00 0.00 178.31 177.12 1cdn h GLU 51 N 0.07 0.50 -0.69 1.11 4.39 -0.74 0.14 114.58 119.36 1cdn h GLU 51 Ca 0.14 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.94 1cdn h GLU 51 Cb 0.20 -0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 28.65 1cdn h GLU 51 CO -0.26 0.33 0.25 1.49 -1.16 0.00 0.00 179.01 179.67 1cdn h GLU 52 N 0.52 0.40 0.55 2.33 4.81 0.31 -1.80 114.58 121.70 1cdn h GLU 52 Ca 0.16 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1cdn h GLU 52 Cb -0.01 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.29 1cdn h GLU 52 CO -0.07 0.26 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.14 1cdn h LEU 53 N 0.41 -0.63 -7.83 1.64 3.38 -0.55 -3.41 115.31 108.33 1cdn h LEU 53 Ca 0.37 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.65 1cdn h LEU 53 Cb 0.53 0.16 -0.35 0.00 0.09 0.00 0.00 40.66 41.10 1cdn h LEU 53 CO -0.38 -0.22 -0.56 -0.62 0.09 0.00 0.00 178.44 176.75 1cdn s ASP 54 N -4.71 5.24 -1.19 -0.43 2.15 0.47 -4.84 116.67 113.36 1cdn s ASP 54 Ca -0.12 -2.03 -0.21 0.00 0.43 0.00 0.00 52.55 50.63 1cdn s ASP 54 Cb 0.01 -1.82 -0.04 0.00 -0.30 0.00 0.00 42.92 40.77 1cdn s ASP 54 CO 0.35 -0.54 1.89 0.29 -0.17 0.00 0.00 175.17 177.00 1cdn n LYS 55 N 4.58 2.17 -4.18 4.34 4.76 -0.70 -4.13 118.16 125.01 1cdn n LYS 55 Ca -0.02 -2.67 -0.35 0.00 -2.87 0.00 0.00 58.31 52.40 1cdn n LYS 55 Cb 0.41 -3.54 -0.07 0.00 -1.84 0.00 0.00 35.03 29.99 1cdn n LYS 55 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1cdn n ASN 56 N 11.26 -1.67 0.00 4.39 2.04 -1.26 -4.90 115.26 125.11 1cdn n ASN 56 Ca 0.47 -0.94 0.00 0.00 -0.44 0.00 0.00 54.58 53.67 1cdn n ASN 56 Cb 0.45 -1.49 0.00 0.00 -2.53 0.00 0.00 39.78 36.22 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 -0.96 1.55 0.07 4.83 0.00 -1.26 -4.52 105.19 104.91 1cdn n GLY 57 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.46 0.58 -1.15 1.61 5.75 -1.26 -4.95 116.55 116.67 1cdn n ASP 58 Ca 0.00 -0.37 -0.11 0.00 -0.01 0.00 0.00 54.79 54.29 1cdn n ASP 58 Cb 0.00 0.12 -0.02 0.00 -1.03 0.00 0.00 41.12 40.19 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 1.44 0.37 3.83 6.12 0.00 -1.26 -4.97 105.19 110.72 1cdn n GLY 59 Ca 0.08 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.01 1.99 -0.31 1.61 2.02 -1.26 -4.94 118.70 113.81 1cdn s GLU 60 Ca 0.00 -1.22 -0.03 0.00 0.02 0.00 0.00 54.97 53.75 1cdn s GLU 60 Cb 0.00 0.60 0.05 0.00 0.10 0.00 0.00 34.13 34.88 1cdn s GLU 60 CO 0.00 -0.93 0.02 0.08 0.02 0.00 0.00 175.26 174.45 1cdn s VAL 61 N -2.96 3.15 0.69 2.63 1.01 0.16 -4.67 120.40 120.41 1cdn s VAL 61 Ca 0.14 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 1cdn s VAL 61 Cb -0.05 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1cdn s VAL 61 CO 0.09 -0.11 1.08 -0.44 0.00 0.00 0.00 175.10 175.72 1cdn s SER 62 N 1.29 5.54 0.40 3.32 0.01 -1.26 -0.64 113.70 122.35 1cdn s SER 62 Ca -0.04 1.24 0.08 0.00 1.31 0.00 0.00 55.95 58.54 1cdn s SER 62 Cb -0.20 -2.10 0.86 0.00 0.21 0.00 0.00 66.02 64.79 1cdn s SER 62 CO -0.00 -1.30 2.01 0.15 0.41 0.00 0.00 173.24 174.51 1cdn h PHE 63 N -0.62 0.57 0.71 2.43 3.57 -1.91 0.81 116.94 122.51 1cdn h PHE 63 Ca -0.45 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 1cdn h PHE 63 Cb 1.24 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.79 1cdn h PHE 63 CO 0.54 0.33 -0.34 1.49 -2.23 0.00 0.00 178.31 178.10 1cdn h GLU 64 N 0.59 -0.92 -0.08 1.11 4.57 -1.94 -3.05 114.58 114.86 1cdn h GLU 64 Ca 0.23 0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1cdn h GLU 64 Cb 0.17 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1cdn h GLU 64 CO -0.06 -0.61 -0.04 1.05 -1.18 0.00 0.00 179.01 178.17 1cdn h GLU 65 N -1.19 0.11 -0.87 1.92 4.11 -1.85 0.10 114.58 116.92 1cdn h GLU 65 Ca -0.10 -0.01 0.25 0.00 0.07 0.00 0.00 59.36 59.57 1cdn h GLU 65 Cb 0.73 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1cdn h GLU 65 CO 0.16 0.17 0.62 0.35 0.07 0.00 0.00 179.01 180.38 1cdn h PHE 66 N 0.11 0.06 -0.16 2.06 3.57 -0.83 0.52 116.94 122.26 1cdn h PHE 66 Ca 0.03 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1cdn h PHE 66 Cb 0.15 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1cdn h PHE 66 CO 0.00 0.01 0.26 1.96 -2.23 0.00 0.00 178.31 178.31 1cdn h GLN 67 N 0.04 0.00 -0.31 1.11 1.08 -0.67 0.30 115.11 116.67 1cdn h GLN 67 Ca 0.42 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.62 1cdn h GLN 67 Cb 1.61 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.03 1cdn h GLN 67 CO -0.02 0.00 0.18 0.28 -0.95 0.00 0.00 178.83 178.32 1cdn h VAL 68 N 0.00 1.09 -0.01 -0.54 2.07 -1.06 0.17 116.25 117.98 1cdn h VAL 68 Ca 0.07 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1cdn h VAL 68 Cb 0.59 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1cdn h VAL 68 CO -0.00 0.09 -0.02 0.25 0.02 0.00 0.00 177.57 177.91 1cdn h LEU 69 N 0.42 0.03 -0.60 2.57 7.12 -0.56 -0.36 115.31 123.92 1cdn h LEU 69 Ca 0.11 -0.63 0.08 0.00 0.13 0.00 0.00 57.88 57.56 1cdn h LEU 69 Cb -0.02 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.04 1cdn h LEU 69 CO -0.02 0.66 0.27 0.58 -0.13 0.00 0.00 178.44 179.80 1cdn h VAL 70 N -0.60 0.86 0.06 1.05 2.07 -1.27 -0.10 116.25 118.32 1cdn h VAL 70 Ca -0.00 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1cdn h VAL 70 Cb 0.66 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1cdn h VAL 70 CO 0.00 0.09 -0.27 0.50 0.02 0.00 0.00 177.57 177.92 1cdn h LYS 71 N 0.49 -0.43 -0.74 1.57 3.64 -0.59 -2.38 116.57 118.15 1cdn h LYS 71 Ca 0.29 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.86 1cdn h LYS 71 Cb 0.29 0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.09 1cdn h LYS 71 CO -0.24 -0.28 0.15 0.87 -2.27 0.00 0.00 179.45 177.67 1cdn h LYS 72 N -0.44 0.23 -1.00 1.90 6.56 0.04 0.87 116.57 124.72 1cdn h LYS 72 Ca 0.05 -0.01 0.22 0.00 -1.06 0.00 0.00 60.65 59.85 1cdn h LYS 72 Cb 0.50 -0.05 -0.10 0.00 -0.57 0.00 0.00 32.23 32.01 1cdn h LYS 72 CO -0.19 0.15 0.63 0.82 -2.06 0.00 0.00 179.45 178.80 1cdn h ILE 73 N 0.23 0.62 0.00 1.86 2.04 -0.53 -3.42 117.51 118.31 1cdn h ILE 73 Ca 0.42 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1cdn h ILE 73 Cb 0.72 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1cdn h ILE 73 CO -0.54 0.10 0.00 -1.54 0.00 0.00 0.00 178.15 176.18 1cdn n SER 74 N -4.70 0.00 0.00 1.72 3.41 0.30 -5.12 113.62 109.23 1cdn n SER 74 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1cdn n SER 74 Cb 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1cdn n SER 74 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55