#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 6.38 0.33 4.39 1.04 -1.26 -4.87 113.70 119.71 1cdn s SER 2 Ca 0.00 1.51 0.11 0.00 0.48 0.00 0.00 55.95 58.04 1cdn s SER 2 Cb 0.00 -2.49 0.93 0.00 0.10 0.00 0.00 66.02 64.56 1cdn s SER 2 CO 0.00 -0.76 1.72 -0.65 0.98 0.00 0.00 173.24 174.53 1cdn h PRO 3 N 0.27 0.52 -0.05 4.02 0.11 -2.04 0.13 132.00 134.97 1cdn h PRO 3 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1cdn h PRO 3 Cb 1.19 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1cdn h PRO 3 CO 0.61 0.35 0.02 0.93 -0.21 0.00 0.00 178.00 179.71 1cdn h GLU 4 N 0.54 0.07 -0.57 1.05 5.08 -1.99 0.19 114.58 118.95 1cdn h GLU 4 Ca 0.65 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.98 1cdn h GLU 4 Cb 1.30 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1cdn h GLU 4 CO -0.48 0.16 0.27 1.49 -1.00 0.00 0.00 179.01 179.45 1cdn h GLU 5 N -0.03 0.82 -1.00 2.33 4.22 -1.60 -0.33 114.58 119.00 1cdn h GLU 5 Ca 0.02 -0.12 0.01 0.00 0.08 0.00 0.00 59.36 59.35 1cdn h GLU 5 Cb 0.11 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1cdn h GLU 5 CO -0.00 0.67 0.66 -0.07 -2.18 0.00 0.00 179.01 178.09 1cdn h LEU 6 N 0.78 1.14 0.01 1.64 3.38 -0.63 0.10 115.31 121.74 1cdn h LEU 6 Ca 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1cdn h LEU 6 Cb 0.12 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1cdn h LEU 6 CO -0.02 0.83 -0.03 0.50 0.09 0.00 0.00 178.44 179.80 1cdn h LYS 7 N 1.35 -0.06 -0.37 1.13 1.63 -0.05 0.20 116.57 120.40 1cdn h LYS 7 Ca 0.36 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.25 1cdn h LYS 7 Cb -0.16 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.40 1cdn h LYS 7 CO -0.08 -0.04 -0.28 0.78 -3.45 0.00 0.00 179.45 176.38 1cdn h GLY 8 N -0.06 -0.16 0.66 5.01 0.00 -0.02 0.14 103.07 108.64 1cdn h GLY 8 Ca 0.01 0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.71 1cdn h GLY 8 CO -0.02 -0.21 -0.25 -2.22 0.00 0.00 0.00 176.54 173.84 1cdn h ILE 9 N -0.23 0.45 -0.54 2.60 1.08 -0.74 0.73 117.51 120.87 1cdn h ILE 9 Ca 0.17 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.75 1cdn h ILE 9 Cb 0.51 0.45 -0.11 0.00 -3.07 0.00 0.00 36.82 34.60 1cdn h ILE 9 CO -0.50 0.00 -0.20 0.15 -0.69 0.00 0.00 178.15 176.91 1cdn h PHE 10 N -0.51 -0.50 -0.01 1.37 3.04 0.15 -1.43 116.94 119.06 1cdn h PHE 10 Ca 0.01 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1cdn h PHE 10 Cb 0.49 0.30 -0.00 0.00 2.56 0.00 0.00 35.95 39.30 1cdn h PHE 10 CO -0.19 -0.30 0.00 0.93 -2.02 0.00 0.00 178.31 176.74 1cdn h GLU 11 N -0.07 0.01 -0.79 1.11 5.08 -0.42 0.13 114.58 119.62 1cdn h GLU 11 Ca 0.25 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.77 1cdn h GLU 11 Cb 0.47 -0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.57 1cdn h GLU 11 CO -0.60 0.13 -0.24 -0.22 -1.00 0.00 0.00 179.01 177.09 1cdn h LYS 12 N -0.11 -0.02 0.05 2.33 3.64 0.13 0.15 116.57 122.74 1cdn h LYS 12 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1cdn h LYS 12 Cb 0.12 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1cdn h LYS 12 CO -0.00 -0.02 -0.30 1.88 -2.27 0.00 0.00 179.45 178.74 1cdn h TYR 13 N -0.02 0.21 -0.38 1.91 0.05 -1.12 -3.34 116.97 114.27 1cdn h TYR 13 Ca 0.36 -0.15 0.08 0.00 0.05 0.00 0.00 58.73 59.08 1cdn h TYR 13 Cb 0.59 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1cdn h TYR 13 CO -0.66 1.10 0.26 0.00 -1.05 0.00 0.00 178.16 177.81 1cdn h ALA 14 N 0.05 2.17 -0.16 3.88 0.00 -0.39 0.51 119.26 125.33 1cdn h ALA 14 Ca -0.05 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1cdn h ALA 14 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1cdn h ALA 14 CO 0.06 -0.27 0.11 0.00 0.00 0.00 0.00 179.25 179.15 1cdn h ALA 15 N 1.81 2.09 0.00 0.00 0.00 -0.83 -3.19 119.26 119.13 1cdn h ALA 15 Ca 0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1cdn h ALA 15 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1cdn h ALA 15 CO -0.02 -0.12 -0.17 1.63 0.00 0.00 0.00 179.25 180.56 1cdn n LYS 16 N -4.50 1.42 0.01 0.00 5.02 0.17 -3.20 118.16 117.08 1cdn n LYS 16 Ca 0.00 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.83 1cdn n LYS 16 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1cdn n LYS 16 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1cdn n GLU 17 N 2.01 0.00 0.00 1.97 2.13 -1.24 -4.97 120.64 120.55 1cdn n GLU 17 Ca 0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1cdn n GLU 17 Cb 0.67 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.38 1cdn n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cdn n GLY 18 N -1.23 -2.00 3.62 8.31 0.00 -1.19 -5.12 105.19 107.57 1cdn n GLY 18 Ca 0.00 0.76 -0.43 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.00 6.03 0.43 1.61 2.15 -1.26 -4.49 116.67 117.14 1cdn s ASP 19 Ca 0.00 1.68 0.27 0.00 0.43 0.00 0.00 52.55 54.93 1cdn s ASP 19 Cb 0.00 -2.53 1.50 0.00 -0.30 0.00 0.00 42.92 41.59 1cdn s ASP 19 CO 0.00 -1.54 1.83 1.55 -0.17 0.00 0.00 175.17 176.85 1cdn h PRO 20 N 12.35 0.00 -0.19 4.34 0.13 -1.90 -1.02 132.00 145.71 1cdn h PRO 20 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1cdn h PRO 20 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1cdn h PRO 20 CO 1.00 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.86 1cdn n ASN 21 N -2.49 2.34 -3.72 1.44 3.02 -1.26 -4.10 115.26 110.48 1cdn n ASN 21 Ca -0.02 -1.80 -0.18 0.00 -0.03 0.00 0.00 54.58 52.55 1cdn n ASN 21 Cb 0.09 -0.12 -0.17 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.77 0.00 -0.15 3.52 0.74 -0.39 -2.70 119.66 118.91 1cdn s GLN 22 Ca 0.34 0.28 -0.08 0.00 0.05 0.00 0.00 55.36 55.95 1cdn s GLN 22 Cb 0.20 -0.45 -0.04 0.00 1.10 0.00 0.00 33.01 33.82 1cdn s GLN 22 CO 0.29 -0.26 0.13 -0.51 -0.55 0.00 0.00 175.29 174.40 1cdn s LEU 23 N 1.70 4.31 0.75 3.68 1.43 0.22 -4.65 118.68 126.12 1cdn s LEU 23 Ca -0.01 0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1cdn s LEU 23 Cb -0.12 -2.07 0.12 0.00 0.03 0.00 0.00 46.19 44.14 1cdn s LEU 23 CO -0.03 0.33 1.05 -0.94 0.23 0.00 0.00 176.35 176.99 1cdn s SER 24 N -0.55 4.26 0.18 2.29 1.04 -1.26 -0.90 113.70 118.77 1cdn s SER 24 Ca 0.12 -0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.40 1cdn s SER 24 Cb -0.12 -0.39 0.15 0.00 0.10 0.00 0.00 66.02 65.77 1cdn s SER 24 CO 0.02 -1.93 1.77 0.11 0.98 0.00 0.00 173.24 174.19 1cdn h LYS 25 N -0.73 0.41 -0.35 4.02 1.57 -1.98 -0.22 116.57 119.30 1cdn h LYS 25 Ca -0.40 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1cdn h LYS 25 Cb 1.27 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1cdn h LYS 25 CO 0.45 0.27 0.08 1.49 -0.57 0.00 0.00 179.45 181.17 1cdn h GLU 26 N 0.43 0.56 -0.36 3.15 4.57 -1.98 0.24 114.58 121.18 1cdn h GLU 26 Ca 0.23 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.31 1cdn h GLU 26 Cb 0.19 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 1cdn h GLU 26 CO -0.20 0.62 0.13 0.93 -1.18 0.00 0.00 179.01 179.30 1cdn h GLU 27 N 0.40 0.27 -0.70 1.92 5.08 -1.83 0.38 114.58 120.11 1cdn h GLU 27 Ca 0.11 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1cdn h GLU 27 Cb 0.31 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1cdn h GLU 27 CO 0.00 0.18 0.38 -0.07 -1.00 0.00 0.00 179.01 178.50 1cdn h LEU 28 N 0.28 0.53 0.18 1.33 3.38 -0.68 0.21 115.31 120.53 1cdn h LEU 28 Ca 0.16 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1cdn h LEU 28 Cb 0.14 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1cdn h LEU 28 CO -0.17 0.33 -0.12 0.50 0.09 0.00 0.00 178.44 179.07 1cdn h LYS 29 N 0.67 -0.29 -0.16 1.13 3.64 0.79 0.29 116.57 122.64 1cdn h LYS 29 Ca 0.33 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 1cdn h LYS 29 Cb 0.27 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1cdn h LYS 29 CO -0.22 -0.19 0.05 -0.07 -2.27 0.00 0.00 179.45 176.75 1cdn h LEU 30 N -0.30 0.06 -0.19 5.20 3.38 -0.81 0.88 115.31 123.54 1cdn h LEU 30 Ca -0.01 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1cdn h LEU 30 Cb 0.26 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1cdn h LEU 30 CO 0.00 0.06 -0.33 0.25 0.09 0.00 0.00 178.44 178.51 1cdn h LEU 31 N 0.13 -1.05 0.43 1.67 6.46 -0.68 0.33 115.31 122.60 1cdn h LEU 31 Ca 0.07 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1cdn h LEU 31 Cb 0.04 0.45 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1cdn h LEU 31 CO -0.07 -0.36 -0.36 -0.07 -0.62 0.00 0.00 178.44 176.96 1cdn h LEU 32 N -0.37 -0.95 -0.07 2.25 3.38 -0.09 -0.56 115.31 118.90 1cdn h LEU 32 Ca 0.11 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1cdn h LEU 32 Cb 0.55 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1cdn h LEU 32 CO -0.40 -0.52 -0.04 1.56 0.09 0.00 0.00 178.44 179.13 1cdn h GLN 33 N -0.79 -0.04 0.19 1.13 7.50 -0.63 0.19 115.11 122.66 1cdn h GLN 33 Ca -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 1cdn h GLN 33 Cb 0.69 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.23 1cdn h GLN 33 CO -0.02 -0.03 -0.09 1.15 -1.50 0.00 0.00 178.83 178.34 1cdn h THR 34 N -0.05 0.90 0.00 -0.54 2.02 -0.86 -3.39 112.91 111.00 1cdn h THR 34 Ca 0.04 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.57 1cdn h THR 34 Cb 0.11 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1cdn h THR 34 CO -0.10 0.12 -1.96 -0.62 0.37 0.00 0.00 175.52 173.33 1cdn n GLU 35 N -5.09 0.87 -3.21 6.66 -0.58 -0.22 -4.79 120.64 114.28 1cdn n GLU 35 Ca -0.09 -0.09 -0.23 0.00 -0.42 0.00 0.00 57.16 56.32 1cdn n GLU 35 Cb 0.21 -1.43 -0.06 0.00 -0.57 0.00 0.00 31.44 29.59 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 -2.34 0.63 0.31 -0.32 3.72 0.66 -4.86 117.46 115.26 1cdn n PHE 36 Ca -0.14 -3.73 0.19 0.00 -0.05 0.00 0.00 57.45 53.72 1cdn n PHE 36 Cb 0.72 -0.41 1.01 0.00 -0.94 0.00 0.00 39.48 39.87 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 3.75 0.00 0.13 -1.08 0.13 -1.75 -1.66 132.00 131.53 1cdn h PRO 37 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1cdn h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1cdn h PRO 37 CO 0.55 0.02 -0.12 0.66 -0.23 0.00 0.00 178.00 178.88 1cdn h SER 38 N 0.00 -0.31 -0.79 1.44 4.64 -1.90 -2.93 113.55 113.71 1cdn h SER 38 Ca -0.00 0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.53 1cdn h SER 38 Cb 0.15 0.10 -0.12 0.00 -0.31 0.00 0.00 62.40 62.21 1cdn h SER 38 CO 0.00 -0.16 0.17 -0.07 -0.87 0.00 0.00 176.83 175.90 1cdn h LEU 39 N -0.24 -0.05 -2.01 5.97 3.38 -1.82 -0.85 115.31 119.68 1cdn h LEU 39 Ca -0.02 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1cdn h LEU 39 Cb 0.21 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1cdn h LEU 39 CO -0.00 -0.10 0.42 0.25 0.09 0.00 0.00 178.44 179.10 1cdn h LEU 40 N 0.22 0.00 -1.35 1.67 5.85 -1.19 0.24 115.31 120.75 1cdn h LEU 40 Ca 0.46 0.00 0.26 0.00 0.84 0.00 0.00 57.88 59.43 1cdn h LEU 40 Cb 0.83 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.77 1cdn h LEU 40 CO -0.58 0.00 0.66 0.11 -0.34 0.00 0.00 178.44 178.29 1cdn h LYS 41 N 0.00 0.41 -1.12 1.25 1.57 -0.96 0.91 116.57 118.62 1cdn h LYS 41 Ca 0.19 -0.02 0.32 0.00 -1.87 0.00 0.00 60.65 59.27 1cdn h LYS 41 Cb 1.02 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.18 1cdn h LYS 41 CO -0.00 0.27 0.78 0.78 -0.57 0.00 0.00 179.45 180.71 1cdn h GLY 42 N 0.42 0.33 0.00 3.86 0.00 -1.13 -3.44 103.07 103.11 1cdn h GLY 42 Ca 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1cdn h GLY 42 CO -0.30 -0.04 0.00 0.61 0.00 0.00 0.00 176.54 176.81 1cdn n GLY 43 N -1.68 0.31 5.43 4.60 0.00 0.31 -4.82 105.19 109.33 1cdn n GLY 43 Ca 0.25 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1cdn n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cdn n SER 44 N 3.87 0.00 -3.85 1.61 7.64 -1.26 -4.37 113.62 117.25 1cdn n SER 44 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1cdn n SER 44 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.00 0.09 0.26 0.44 -4.23 -1.26 -5.01 115.64 105.93 1cdn s THR 45 Ca 0.00 -0.77 -0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1cdn s THR 45 Cb 0.00 -0.67 0.25 0.00 1.34 0.00 0.00 72.50 73.41 1cdn s THR 45 CO 0.00 -0.43 1.84 -0.07 -0.54 0.00 0.00 174.62 175.42 1cdn h LEU 46 N 3.87 0.84 0.24 4.79 3.38 -1.99 -0.78 115.31 125.64 1cdn h LEU 46 Ca -0.31 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1cdn h LEU 46 Cb 1.19 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1cdn h LEU 46 CO 0.44 0.49 -0.35 0.44 0.09 0.00 0.00 178.44 179.55 1cdn h ASP 47 N 0.95 -0.99 -0.39 -0.43 5.19 -1.96 0.30 116.42 119.09 1cdn h ASP 47 Ca 0.43 0.10 0.06 0.00 -0.62 0.00 0.00 57.03 57.00 1cdn h ASP 47 Cb 0.34 0.35 -0.05 0.00 0.18 0.00 0.00 39.33 40.15 1cdn h ASP 47 CO -0.23 -0.46 0.07 -0.33 -3.12 0.00 0.00 179.24 175.17 1cdn h GLU 48 N -0.66 0.19 -0.33 3.56 5.08 -1.85 0.16 114.58 120.73 1cdn h GLU 48 Ca 0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1cdn h GLU 48 Cb 0.63 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1cdn h GLU 48 CO -0.13 0.13 0.13 1.25 -1.00 0.00 0.00 179.01 179.39 1cdn h LEU 49 N 0.20 0.17 -0.24 1.33 5.85 -0.80 0.14 115.31 121.96 1cdn h LEU 49 Ca 0.19 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1cdn h LEU 49 Cb 0.22 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1cdn h LEU 49 CO -0.25 0.14 0.04 0.15 -0.34 0.00 0.00 178.44 178.17 1cdn h PHE 50 N 0.29 0.06 -0.86 1.25 3.57 0.11 0.62 116.94 121.98 1cdn h PHE 50 Ca 0.14 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1cdn h PHE 50 Cb 0.09 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1cdn h PHE 50 CO -0.12 0.01 0.46 1.49 -2.23 0.00 0.00 178.31 177.91 1cdn h GLU 51 N 0.12 1.21 -0.38 1.11 4.81 -0.60 0.11 114.58 120.95 1cdn h GLU 51 Ca 0.11 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1cdn h GLU 51 Cb 0.12 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1cdn h GLU 51 CO -0.16 0.89 0.22 1.49 -0.73 0.00 0.00 179.01 180.73 1cdn h GLU 52 N 1.20 0.44 0.44 1.92 4.81 0.09 -3.23 114.58 120.25 1cdn h GLU 52 Ca 0.30 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1cdn h GLU 52 Cb 0.05 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1cdn h GLU 52 CO -0.05 0.29 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.25 1cdn h LEU 53 N 0.45 -0.50 -8.06 1.64 3.38 -0.46 -3.40 115.31 108.37 1cdn h LEU 53 Ca 0.15 -0.10 -0.74 0.00 0.09 0.00 0.00 57.88 57.28 1cdn h LEU 53 Cb 0.01 0.13 -0.27 0.00 0.09 0.00 0.00 40.66 40.62 1cdn h LEU 53 CO -0.07 -0.14 -0.34 -0.62 0.09 0.00 0.00 178.44 177.36 1cdn s ASP 54 N -4.87 5.91 -1.16 -0.43 2.15 0.33 -4.84 116.67 113.77 1cdn s ASP 54 Ca -0.14 -1.75 -0.20 0.00 0.43 0.00 0.00 52.55 50.89 1cdn s ASP 54 Cb 0.02 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 40.50 1cdn s ASP 54 CO 0.51 -0.73 1.94 0.29 -0.17 0.00 0.00 175.17 177.01 1cdn n LYS 55 N 5.06 2.22 -4.22 4.34 4.76 -1.24 -4.37 118.16 124.71 1cdn n LYS 55 Ca -0.11 -2.52 -0.37 0.00 -2.87 0.00 0.00 58.31 52.44 1cdn n LYS 55 Cb 0.41 -3.36 -0.07 0.00 -1.84 0.00 0.00 35.03 30.16 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 9.37 -1.34 0.00 4.39 2.04 -1.26 -4.91 115.26 123.55 1cdn n ASN 56 Ca 0.49 -1.12 0.00 0.00 -0.44 0.00 0.00 54.58 53.50 1cdn n ASN 56 Cb 0.43 -1.43 0.00 0.00 -2.53 0.00 0.00 39.78 36.25 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 -1.17 1.67 0.10 4.83 0.00 -1.26 -4.75 105.19 104.60 1cdn n GLY 57 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.47 0.35 0.00 1.61 5.75 -1.26 -5.01 116.55 117.52 1cdn n ASP 58 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1cdn n ASP 58 Cb 0.00 0.63 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 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 1.72 1.18 3.54 6.12 0.00 -1.26 -5.09 105.19 111.40 1cdn n GLY 59 Ca -0.29 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.29 2.00 -0.33 1.61 8.01 -1.26 -4.96 118.70 122.48 1cdn s GLU 60 Ca 0.00 -1.74 0.02 0.00 0.01 0.00 0.00 54.97 53.26 1cdn s GLU 60 Cb 0.00 0.47 0.09 0.00 -4.31 0.00 0.00 34.13 30.38 1cdn s GLU 60 CO 0.00 -0.85 0.03 0.08 0.01 0.00 0.00 175.26 174.53 1cdn s VAL 61 N -2.86 2.50 0.78 2.63 1.01 -0.07 -4.69 120.40 119.68 1cdn s VAL 61 Ca 0.28 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.14 1cdn s VAL 61 Cb -0.01 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.75 1cdn s VAL 61 CO 0.20 -0.41 1.14 -0.55 0.00 0.00 0.00 175.10 175.48 1cdn s SER 62 N 1.14 4.80 0.38 3.32 0.15 -1.26 -0.61 113.70 121.62 1cdn s SER 62 Ca 0.03 0.98 0.05 0.00 0.70 0.00 0.00 55.95 57.71 1cdn s SER 62 Cb -0.20 -1.62 0.76 0.00 -1.71 0.00 0.00 66.02 63.26 1cdn s SER 62 CO -0.06 -1.74 2.03 0.15 1.20 0.00 0.00 173.24 174.82 1cdn h PHE 63 N -0.93 0.61 0.66 3.44 3.57 -1.90 0.12 116.94 122.51 1cdn h PHE 63 Ca -0.46 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.01 1cdn h PHE 63 Cb 1.29 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.84 1cdn h PHE 63 CO 0.40 0.40 -0.32 1.49 -2.23 0.00 0.00 178.31 178.05 1cdn h GLU 64 N 0.65 -0.86 -0.36 1.11 4.22 -1.94 -2.91 114.58 114.49 1cdn h GLU 64 Ca 0.17 0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.68 1cdn h GLU 64 Cb -0.03 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1cdn h GLU 64 CO -0.03 -0.57 0.24 1.05 -2.18 0.00 0.00 179.01 177.51 1cdn h GLU 65 N -1.06 0.45 -0.40 1.92 4.11 -1.86 0.14 114.58 117.88 1cdn h GLU 65 Ca -0.09 -0.03 0.12 0.00 0.07 0.00 0.00 59.36 59.43 1cdn h GLU 65 Cb 0.68 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1cdn h GLU 65 CO 0.15 0.30 0.44 0.35 0.07 0.00 0.00 179.01 180.32 1cdn h PHE 66 N 0.47 0.00 -0.20 2.06 3.57 -0.75 0.61 116.94 122.70 1cdn h PHE 66 Ca 0.13 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1cdn h PHE 66 Cb -0.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1cdn h PHE 66 CO -0.00 0.00 0.25 1.96 -2.23 0.00 0.00 178.31 178.29 1cdn h GLN 67 N 0.00 0.00 -0.38 1.11 1.08 -0.51 0.47 115.11 116.88 1cdn h GLN 67 Ca 0.19 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1cdn h GLN 67 Cb 1.06 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 1cdn h GLN 67 CO -0.00 0.00 0.19 0.28 -0.95 0.00 0.00 178.83 178.35 1cdn h VAL 68 N 0.00 1.13 -0.18 -0.54 2.07 -1.04 0.20 116.25 117.88 1cdn h VAL 68 Ca 0.09 -0.34 -0.22 0.00 0.82 0.00 0.00 66.70 67.06 1cdn h VAL 68 Cb 0.60 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1cdn h VAL 68 CO -0.00 0.14 -0.74 0.25 0.02 0.00 0.00 177.57 177.24 1cdn h LEU 69 N 0.52 0.95 -1.05 2.57 5.85 -0.24 -1.37 115.31 122.53 1cdn h LEU 69 Ca 0.13 -0.60 0.05 0.00 0.84 0.00 0.00 57.88 58.30 1cdn h LEU 69 Cb 0.04 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 1cdn h LEU 69 CO -0.02 1.40 0.64 0.58 -0.34 0.00 0.00 178.44 180.70 1cdn h VAL 70 N 0.56 1.13 -0.13 1.05 2.07 -0.67 0.17 116.25 120.44 1cdn h VAL 70 Ca -0.04 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.11 1cdn h VAL 70 Cb 1.37 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1cdn h VAL 70 CO 0.15 0.22 -0.10 0.50 0.02 0.00 0.00 177.57 178.36 1cdn h LYS 71 N 1.19 -0.11 -0.48 1.57 3.64 -0.34 0.86 116.57 122.91 1cdn h LYS 71 Ca 0.40 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.88 1cdn h LYS 71 Cb 0.07 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 1cdn h LYS 71 CO -0.14 -0.08 0.03 0.87 -2.27 0.00 0.00 179.45 177.87 1cdn h LYS 72 N -0.12 0.14 -0.94 1.90 6.56 -0.08 -0.17 116.57 123.86 1cdn h LYS 72 Ca 0.08 -0.01 0.13 0.00 -1.06 0.00 0.00 60.65 59.79 1cdn h LYS 72 Cb 0.24 -0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 31.78 1cdn h LYS 72 CO -0.20 0.10 0.56 0.82 -2.06 0.00 0.00 179.45 178.67 1cdn h ILE 73 N 0.15 0.85 -0.21 1.86 2.04 -0.19 0.17 117.51 122.18 1cdn h ILE 73 Ca 0.24 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1cdn h ILE 73 Cb 0.35 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1cdn h ILE 73 CO -0.37 0.15 0.01 -1.20 0.00 0.00 0.00 178.15 176.74 1cdn n SER 74 N -4.72 2.69 0.00 1.72 7.64 0.25 -5.09 113.62 116.11 1cdn n SER 74 Ca 0.18 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.73 1cdn n SER 74 Cb 0.39 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1cdn n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03